*HEADER ISOMERASE 16-JAN-08 2JZT *TITLE SOLUTION NMR STRUCTURE OF Q8ZP25_SALTY FROM SALMONELLA *TITLE 2 TYPHIMURIUM. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM *TITLE 3 TARGET STR70 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PUTATIVE THIOL-DISULFIDE ISOMERASE AND *COMPND 3 THIOREDOXIN; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 STRAIN: LT2 / SGSC1412; *SOURCE 5 ATCC: 700720; *SOURCE 6 GENE: STM1790; *SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 *KEYWDS NESG, STR70, STRUCTURAL GENOMICS, PUTATIVE [NIFE] *KEYWDS 2 HYDROGENASE ASSEMBLY, CHAPERONE, ISOMERASE, PSI-2, PROTEIN *KEYWDS 3 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 4 CONSORTIUM *EXPDTA NMR, 20 STRUCTURES *AUTHOR D.PARISH, G.LIU, Y.SHEN, C.HO, K.CUNNINGHAM, R.XIAO, *AUTHOR 2 G.V.T.SWAPNA, T.B.ACTON, S.BONSAL, J.PRESTEGARD, *AUTHOR 3 G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST STRUCTURAL GENOMICS *AUTHOR 4 CONSORTIUM (NESG) *REVDAT 1 19-FEB-08 2JZT 0 assign ( resid 1 and name C ) ( resid 2 and name N ) (resid 2 and name CA ) ( resid 2 and name C ) 1 -180.00 155.00 2 assign ( resid 1 and name C ) ( resid 2 and name N ) (resid 2 and name CA ) ( resid 2 and name C ) 1 -55.00 150.00 2 assign ( resid 2 and name C ) ( resid 3 and name N ) (resid 3 and name CA ) ( resid 3 and name C ) 1 -180.00 155.00 2 assign ( resid 2 and name C ) ( resid 3 and name N ) (resid 3 and name CA ) ( resid 3 and name C ) 1 -60.00 155.00 2 assign ( resid 3 and name N ) ( resid 3 and name CA ) (resid 3 and name C ) ( resid 4 and name N ) 1 55.00 160.00 2 assign ( resid 3 and name C ) ( resid 4 and name N ) (resid 4 and name CA ) ( resid 4 and name C ) 1 -180.00 155.00 2 assign ( resid 3 and name C ) ( resid 4 and name N ) (resid 4 and name CA ) ( resid 4 and name C ) 1 -60.00 155.00 2 assign ( resid 4 and name N ) ( resid 4 and name CA ) (resid 4 and name C ) ( resid 5 and name N ) 1 55.00 160.00 2 assign ( resid 4 and name C ) ( resid 5 and name N ) (resid 5 and name CA ) ( resid 5 and name C ) 1 -180.00 155.00 2 assign ( resid 4 and name C ) ( resid 5 and name N ) (resid 5 and name CA ) ( resid 5 and name C ) 1 -55.00 150.00 2 assign ( resid 5 and name N ) ( resid 5 and name CA ) (resid 5 and name C ) ( resid 6 and name N ) 1 -175.00 130.00 2 assign ( resid 5 and name N ) ( resid 5 and name CA ) (resid 5 and name C ) ( resid 6 and name N ) 1 60.00 125.00 2 assign ( resid 6 and name N ) ( resid 6 and name CA ) (resid 6 and name C ) ( resid 7 and name N ) 1 -150.00 165.00 2 assign ( resid 6 and name N ) ( resid 6 and name CA ) (resid 6 and name C ) ( resid 7 and name N ) 1 55.00 150.00 2 assign ( resid 6 and name C ) ( resid 7 and name N ) (resid 7 and name CA ) ( resid 7 and name C ) 1 -180.00 155.00 2 assign ( resid 6 and name C ) ( resid 7 and name N ) (resid 7 and name CA ) ( resid 7 and name C ) 1 -60.00 145.00 2 assign ( resid 7 and name N ) ( resid 7 and name CA ) (resid 7 and name C ) ( resid 8 and name N ) 1 60.00 165.00 2 assign ( resid 7 and name C ) ( resid 8 and name N ) (resid 8 and name CA ) ( resid 8 and name C ) 1 -180.00 155.00 2 assign ( resid 7 and name C ) ( resid 8 and name N ) (resid 8 and name CA ) ( resid 8 and name C ) 1 -60.00 155.00 2 assign ( resid 8 and name N ) ( resid 8 and name CA ) (resid 8 and name C ) ( resid 9 and name N ) 1 60.00 175.00 2 assign ( resid 8 and name C ) ( resid 9 and name N ) (resid 9 and name CA ) ( resid 9 and name C ) 1 -64.00 15.00 2 assign ( resid 9 and name N ) ( resid 9 and name CA ) (resid 9 and name C ) ( resid 10 and name N ) 1 -42.00 13.00 2 assign ( resid 9 and name C ) ( resid 10 and name N ) (resid 10 and name CA ) ( resid 10 and name C ) 1 -64.00 11.00 2 assign ( resid 10 and name N ) ( resid 10 and name CA ) (resid 10 and name C ) ( resid 11 and name N ) 1 -40.00 11.00 2 assign ( resid 10 and name C ) ( resid 11 and name N ) (resid 11 and name CA ) ( resid 11 and name C ) 1 -67.00 18.00 2 assign ( resid 11 and name N ) ( resid 11 and name CA ) (resid 11 and name C ) ( resid 12 and name N ) 1 -52.00 7.00 2 assign ( resid 11 and name C ) ( resid 12 and name N ) (resid 12 and name CA ) ( resid 12 and name C ) 1 -90.00 65.00 2 assign ( resid 12 and name N ) ( resid 12 and name CA ) (resid 12 and name C ) ( resid 13 and name N ) 1 -70.00 45.00 2 assign ( resid 12 and name C ) ( resid 13 and name N ) (resid 13 and name CA ) ( resid 13 and name C ) 1 -63.00 10.00 2 assign ( resid 13 and name N ) ( resid 13 and name CA ) (resid 13 and name C ) ( resid 14 and name N ) 1 -44.00 15.00 2 assign ( resid 13 and name C ) ( resid 14 and name N ) (resid 14 and name CA ) ( resid 14 and name C ) 1 -64.00 11.00 2 assign ( resid 14 and name N ) ( resid 14 and name CA ) (resid 14 and name C ) ( resid 15 and name N ) 1 -42.00 15.00 2 assign ( resid 14 and name C ) ( resid 15 and name N ) (resid 15 and name CA ) ( resid 15 and name C ) 1 -65.00 10.00 2 assign ( resid 15 and name N ) ( resid 15 and name CA ) (resid 15 and name C ) ( resid 16 and name N ) 1 -38.00 11.00 2 assign ( resid 15 and name C ) ( resid 16 and name N ) (resid 16 and name CA ) ( resid 16 and name C ) 1 -63.00 12.00 2 assign ( resid 16 and name N ) ( resid 16 and name CA ) (resid 16 and name C ) ( resid 17 and name N ) 1 -42.00 15.00 2 assign ( resid 16 and name C ) ( resid 17 and name N ) (resid 17 and name CA ) ( resid 17 and name C ) 1 -180.00 155.00 2 assign ( resid 16 and name C ) ( resid 17 and name N ) (resid 17 and name CA ) ( resid 17 and name C ) 1 -60.00 155.00 2 assign ( resid 17 and name N ) ( resid 17 and name CA ) (resid 17 and name C ) ( resid 18 and name N ) 1 60.00 165.00 2 assign ( resid 17 and name C ) ( resid 18 and name N ) (resid 18 and name CA ) ( resid 18 and name C ) 1 -180.00 155.00 2 assign ( resid 18 and name C ) ( resid 19 and name N ) (resid 19 and name CA ) ( resid 19 and name C ) 1 -180.00 145.00 2 assign ( resid 18 and name C ) ( resid 19 and name N ) (resid 19 and name CA ) ( resid 19 and name C ) 1 -25.00 120.00 2 assign ( resid 19 and name N ) ( resid 19 and name CA ) (resid 19 and name C ) ( resid 20 and name N ) 1 -165.00 80.00 2 assign ( resid 19 and name C ) ( resid 20 and name N ) (resid 20 and name CA ) ( resid 20 and name C ) 1 -180.00 155.00 2 assign ( resid 19 and name C ) ( resid 20 and name N ) (resid 20 and name CA ) ( resid 20 and name C ) 1 -60.00 125.00 2 assign ( resid 20 and name N ) ( resid 20 and name CA ) (resid 20 and name C ) ( resid 21 and name N ) 1 -175.00 130.00 2 assign ( resid 20 and name N ) ( resid 20 and name CA ) (resid 20 and name C ) ( resid 21 and name N ) 1 55.00 120.00 2 assign ( resid 21 and name N ) ( resid 21 and name CA ) (resid 21 and name C ) ( resid 22 and name N ) 1 150.00 55.00 2 assign ( resid 21 and name C ) ( resid 22 and name N ) (resid 22 and name CA ) ( resid 22 and name C ) 1 -100.00 65.00 2 assign ( resid 22 and name N ) ( resid 22 and name CA ) (resid 22 and name C ) ( resid 23 and name N ) 1 -175.00 30.00 2 assign ( resid 22 and name C ) ( resid 23 and name N ) (resid 23 and name CA ) ( resid 23 and name C ) 1 175.00 140.00 2 assign ( resid 22 and name C ) ( resid 23 and name N ) (resid 23 and name CA ) ( resid 23 and name C ) 1 -45.00 130.00 2 assign ( resid 23 and name N ) ( resid 23 and name CA ) (resid 23 and name C ) ( resid 24 and name N ) 1 -170.00 25.00 2 assign ( resid 23 and name C ) ( resid 24 and name N ) (resid 24 and name CA ) ( resid 24 and name C ) 1 -180.00 155.00 2 assign ( resid 23 and name C ) ( resid 24 and name N ) (resid 24 and name CA ) ( resid 24 and name C ) 1 -55.00 150.00 2 assign ( resid 24 and name C ) ( resid 25 and name N ) (resid 25 and name CA ) ( resid 25 and name C ) 1 -180.00 155.00 2 assign ( resid 24 and name C ) ( resid 25 and name N ) (resid 25 and name CA ) ( resid 25 and name C ) 1 -60.00 155.00 2 assign ( resid 25 and name N ) ( resid 25 and name CA ) (resid 25 and name C ) ( resid 26 and name N ) 1 60.00 175.00 2 assign ( resid 25 and name C ) ( resid 26 and name N ) (resid 26 and name CA ) ( resid 26 and name C ) 1 -180.00 155.00 2 assign ( resid 25 and name C ) ( resid 26 and name N ) (resid 26 and name CA ) ( resid 26 and name C ) 1 -65.00 140.00 2 assign ( resid 26 and name C ) ( resid 27 and name N ) (resid 27 and name CA ) ( resid 27 and name C ) 1 -63.00 14.00 2 assign ( resid 27 and name N ) ( resid 27 and name CA ) (resid 27 and name C ) ( resid 28 and name N ) 1 -37.00 16.00 2 assign ( resid 27 and name C ) ( resid 28 and name N ) (resid 28 and name CA ) ( resid 28 and name C ) 1 -64.00 13.00 2 assign ( resid 28 and name N ) ( resid 28 and name CA ) (resid 28 and name C ) ( resid 29 and name N ) 1 -35.00 18.00 2 assign ( resid 28 and name C ) ( resid 29 and name N ) (resid 29 and name CA ) ( resid 29 and name C ) 1 -70.00 17.00 2 assign ( resid 29 and name N ) ( resid 29 and name CA ) (resid 29 and name C ) ( resid 30 and name N ) 1 -41.00 10.00 2 assign ( resid 29 and name C ) ( resid 30 and name N ) (resid 30 and name CA ) ( resid 30 and name C ) 1 -65.00 10.00 2 assign ( resid 30 and name N ) ( resid 30 and name CA ) (resid 30 and name C ) ( resid 31 and name N ) 1 -44.00 11.00 2 assign ( resid 30 and name C ) ( resid 31 and name N ) (resid 31 and name CA ) ( resid 31 and name C ) 1 -63.00 10.00 2 assign ( resid 31 and name N ) ( resid 31 and name CA ) (resid 31 and name C ) ( resid 32 and name N ) 1 -46.00 15.00 2 assign ( resid 31 and name C ) ( resid 32 and name N ) (resid 32 and name CA ) ( resid 32 and name C ) 1 -60.00 15.00 2 assign ( resid 32 and name N ) ( resid 32 and name CA ) (resid 32 and name C ) ( resid 33 and name N ) 1 -41.00 20.00 2 assign ( resid 32 and name C ) ( resid 33 and name N ) (resid 33 and name CA ) ( resid 33 and name C ) 1 -64.00 16.00 2 assign ( resid 33 and name N ) ( resid 33 and name CA ) (resid 33 and name C ) ( resid 34 and name N ) 1 -32.00 12.00 2 assign ( resid 33 and name C ) ( resid 34 and name N ) (resid 34 and name CA ) ( resid 34 and name C ) 1 -90.00 65.00 2 assign ( resid 34 and name N ) ( resid 34 and name CA ) (resid 34 and name C ) ( resid 35 and name N ) 1 -45.00 40.00 2 assign ( resid 34 and name C ) ( resid 35 and name N ) (resid 35 and name CA ) ( resid 35 and name C ) 1 -180.00 155.00 2 assign ( resid 35 and name N ) ( resid 35 and name CA ) (resid 35 and name C ) ( resid 36 and name N ) 1 0.00 115.00 2 assign ( resid 35 and name C ) ( resid 36 and name N ) (resid 36 and name CA ) ( resid 36 and name C ) 1 -170.00 145.00 2 assign ( resid 35 and name C ) ( resid 36 and name N ) (resid 36 and name CA ) ( resid 36 and name C ) 1 -60.00 135.00 2 assign ( resid 36 and name N ) ( resid 36 and name CA ) (resid 36 and name C ) ( resid 37 and name N ) 1 145.00 60.00 2 assign ( resid 36 and name C ) ( resid 37 and name N ) (resid 37 and name CA ) ( resid 37 and name C ) 1 -180.00 155.00 2 assign ( resid 37 and name C ) ( resid 38 and name N ) (resid 38 and name CA ) ( resid 38 and name C ) 1 -138.00 29.00 2 assign ( resid 38 and name N ) ( resid 38 and name CA ) (resid 38 and name C ) ( resid 39 and name N ) 1 151.00 34.00 2 assign ( resid 38 and name C ) ( resid 39 and name N ) (resid 39 and name CA ) ( resid 39 and name C ) 1 -131.00 46.00 2 assign ( resid 39 and name N ) ( resid 39 and name CA ) (resid 39 and name C ) ( resid 40 and name N ) 1 145.00 34.00 2 assign ( resid 39 and name C ) ( resid 40 and name N ) (resid 40 and name CA ) ( resid 40 and name C ) 1 -180.00 155.00 2 assign ( resid 39 and name C ) ( resid 40 and name N ) (resid 40 and name CA ) ( resid 40 and name C ) 1 -55.00 140.00 2 assign ( resid 40 and name N ) ( resid 40 and name CA ) (resid 40 and name C ) ( resid 41 and name N ) 1 -125.00 150.00 2 assign ( resid 40 and name N ) ( resid 40 and name CA ) (resid 40 and name C ) ( resid 41 and name N ) 1 115.00 140.00 2 assign ( resid 40 and name C ) ( resid 41 and name N ) (resid 41 and name CA ) ( resid 41 and name C ) 1 -175.00 150.00 2 assign ( resid 40 and name C ) ( resid 41 and name N ) (resid 41 and name CA ) ( resid 41 and name C ) 1 -55.00 150.00 2 assign ( resid 41 and name N ) ( resid 41 and name CA ) (resid 41 and name C ) ( resid 42 and name N ) 1 160.00 55.00 2 assign ( resid 41 and name C ) ( resid 42 and name N ) (resid 42 and name CA ) ( resid 42 and name C ) 1 -180.00 155.00 2 assign ( resid 41 and name C ) ( resid 42 and name N ) (resid 42 and name CA ) ( resid 42 and name C ) 1 -60.00 155.00 2 assign ( resid 42 and name N ) ( resid 42 and name CA ) (resid 42 and name C ) ( resid 43 and name N ) 1 60.00 175.00 2 assign ( resid 42 and name C ) ( resid 43 and name N ) (resid 43 and name CA ) ( resid 43 and name C ) 1 -180.00 155.00 2 assign ( resid 42 and name C ) ( resid 43 and name N ) (resid 43 and name CA ) ( resid 43 and name C ) 1 -60.00 155.00 2 assign ( resid 43 and name N ) ( resid 43 and name CA ) (resid 43 and name C ) ( resid 44 and name N ) 1 60.00 175.00 2 assign ( resid 43 and name C ) ( resid 44 and name N ) (resid 44 and name CA ) ( resid 44 and name C ) 1 -180.00 155.00 2 assign ( resid 43 and name C ) ( resid 44 and name N ) (resid 44 and name CA ) ( resid 44 and name C ) 1 -60.00 155.00 2 assign ( resid 44 and name N ) ( resid 44 and name CA ) (resid 44 and name C ) ( resid 45 and name N ) 1 -175.00 130.00 2 assign ( resid 44 and name N ) ( resid 44 and name CA ) (resid 44 and name C ) ( resid 45 and name N ) 1 65.00 120.00 2 assign ( resid 45 and name N ) ( resid 45 and name CA ) (resid 45 and name C ) ( resid 46 and name N ) 1 -150.00 165.00 2 assign ( resid 45 and name N ) ( resid 45 and name CA ) (resid 45 and name C ) ( resid 46 and name N ) 1 55.00 150.00 2 assign ( resid 45 and name C ) ( resid 46 and name N ) (resid 46 and name CA ) ( resid 46 and name C ) 1 -180.00 155.00 2 assign ( resid 45 and name C ) ( resid 46 and name N ) (resid 46 and name CA ) ( resid 46 and name C ) 1 -60.00 155.00 2 assign ( resid 46 and name N ) ( resid 46 and name CA ) (resid 46 and name C ) ( resid 47 and name N ) 1 60.00 165.00 2 assign ( resid 46 and name C ) ( resid 47 and name N ) (resid 47 and name CA ) ( resid 47 and name C ) 1 -180.00 155.00 2 assign ( resid 46 and name C ) ( resid 47 and name N ) (resid 47 and name CA ) ( resid 47 and name C ) 1 -60.00 155.00 2 assign ( resid 47 and name N ) ( resid 47 and name CA ) (resid 47 and name C ) ( resid 48 and name N ) 1 60.00 165.00 2 assign ( resid 47 and name C ) ( resid 48 and name N ) (resid 48 and name CA ) ( resid 48 and name C ) 1 -180.00 155.00 2 assign ( resid 47 and name C ) ( resid 48 and name N ) (resid 48 and name CA ) ( resid 48 and name C ) 1 -55.00 150.00 2 assign ( resid 48 and name N ) ( resid 48 and name CA ) (resid 48 and name C ) ( resid 49 and name N ) 1 -175.00 130.00 2 assign ( resid 48 and name N ) ( resid 48 and name CA ) (resid 48 and name C ) ( resid 49 and name N ) 1 60.00 125.00 2 assign ( resid 49 and name N ) ( resid 49 and name CA ) (resid 49 and name C ) ( resid 50 and name N ) 1 -150.00 165.00 2 assign ( resid 49 and name N ) ( resid 49 and name CA ) (resid 49 and name C ) ( resid 50 and name N ) 1 55.00 150.00 2 assign ( resid 49 and name C ) ( resid 50 and name N ) (resid 50 and name CA ) ( resid 50 and name C ) 1 -180.00 155.00 2 assign ( resid 49 and name C ) ( resid 50 and name N ) (resid 50 and name CA ) ( resid 50 and name C ) 1 -60.00 155.00 2 assign ( resid 50 and name C ) ( resid 51 and name N ) (resid 51 and name CA ) ( resid 51 and name C ) 1 -180.00 155.00 2 assign ( resid 50 and name C ) ( resid 51 and name N ) (resid 51 and name CA ) ( resid 51 and name C ) 1 -55.00 150.00 2 assign ( resid 51 and name C ) ( resid 52 and name N ) (resid 52 and name CA ) ( resid 52 and name C ) 1 -180.00 155.00 2 assign ( resid 51 and name C ) ( resid 52 and name N ) (resid 52 and name CA ) ( resid 52 and name C ) 1 -60.00 155.00 2 assign ( resid 52 and name N ) ( resid 52 and name CA ) (resid 52 and name C ) ( resid 53 and name N ) 1 60.00 175.00 2 assign ( resid 52 and name C ) ( resid 53 and name N ) (resid 53 and name CA ) ( resid 53 and name C ) 1 -180.00 155.00 2 assign ( resid 52 and name C ) ( resid 53 and name N ) (resid 53 and name CA ) ( resid 53 and name C ) 1 -60.00 155.00 2 assign ( resid 53 and name N ) ( resid 53 and name CA ) (resid 53 and name C ) ( resid 54 and name N ) 1 55.00 160.00 2 assign ( resid 53 and name C ) ( resid 54 and name N ) (resid 54 and name CA ) ( resid 54 and name C ) 1 -180.00 155.00 2 assign ( resid 53 and name C ) ( resid 54 and name N ) (resid 54 and name CA ) ( resid 54 and name C ) 1 -60.00 155.00 2 assign ( resid 54 and name N ) ( resid 54 and name CA ) (resid 54 and name C ) ( resid 55 and name N ) 1 -175.00 130.00 2 assign ( resid 54 and name N ) ( resid 54 and name CA ) (resid 54 and name C ) ( resid 55 and name N ) 1 65.00 120.00 2 assign ( resid 55 and name N ) ( resid 55 and name CA ) (resid 55 and name C ) ( resid 56 and name N ) 1 -150.00 165.00 2 assign ( resid 55 and name N ) ( resid 55 and name CA ) (resid 55 and name C ) ( resid 56 and name N ) 1 55.00 150.00 2 assign ( resid 55 and name C ) ( resid 56 and name N ) (resid 56 and name CA ) ( resid 56 and name C ) 1 -180.00 155.00 2 assign ( resid 55 and name C ) ( resid 56 and name N ) (resid 56 and name CA ) ( resid 56 and name C ) 1 -55.00 150.00 2 assign ( resid 56 and name N ) ( resid 56 and name CA ) (resid 56 and name C ) ( resid 57 and name N ) 1 -125.00 160.00 2 assign ( resid 56 and name C ) ( resid 57 and name N ) (resid 57 and name CA ) ( resid 57 and name C ) 1 -180.00 155.00 2 assign ( resid 56 and name C ) ( resid 57 and name N ) (resid 57 and name CA ) ( resid 57 and name C ) 1 -55.00 150.00 2 assign ( resid 57 and name N ) ( resid 57 and name CA ) (resid 57 and name C ) ( resid 58 and name N ) 1 60.00 165.00 2 assign ( resid 57 and name C ) ( resid 58 and name N ) (resid 58 and name CA ) ( resid 58 and name C ) 1 -67.00 14.00 2 assign ( resid 58 and name N ) ( resid 58 and name CA ) (resid 58 and name C ) ( resid 59 and name N ) 1 -36.00 31.00 2 assign ( resid 58 and name C ) ( resid 59 and name N ) (resid 59 and name CA ) ( resid 59 and name C ) 1 -62.00 15.00 2 assign ( resid 59 and name N ) ( resid 59 and name CA ) (resid 59 and name C ) ( resid 60 and name N ) 1 -42.00 15.00 2 assign ( resid 59 and name C ) ( resid 60 and name N ) (resid 60 and name CA ) ( resid 60 and name C ) 1 -64.00 11.00 2 assign ( resid 60 and name N ) ( resid 60 and name CA ) (resid 60 and name C ) ( resid 61 and name N ) 1 -42.00 11.00 2 assign ( resid 60 and name C ) ( resid 61 and name N ) (resid 61 and name CA ) ( resid 61 and name C ) 1 -63.00 10.00 2 assign ( resid 61 and name N ) ( resid 61 and name CA ) (resid 61 and name C ) ( resid 62 and name N ) 1 -51.00 6.00 2 assign ( resid 61 and name C ) ( resid 62 and name N ) (resid 62 and name CA ) ( resid 62 and name C ) 1 -155.00 130.00 2 assign ( resid 61 and name C ) ( resid 62 and name N ) (resid 62 and name CA ) ( resid 62 and name C ) 1 -55.00 150.00 2 assign ( resid 62 and name N ) ( resid 62 and name CA ) (resid 62 and name C ) ( resid 63 and name N ) 1 -60.00 55.00 2 assign ( resid 62 and name C ) ( resid 63 and name N ) (resid 63 and name CA ) ( resid 63 and name C ) 1 -180.00 155.00 2 assign ( resid 62 and name C ) ( resid 63 and name N ) (resid 63 and name CA ) ( resid 63 and name C ) 1 -55.00 90.00 2 assign ( resid 63 and name N ) ( resid 63 and name CA ) (resid 63 and name C ) ( resid 64 and name N ) 1 -15.00 90.00 2 assign ( resid 63 and name C ) ( resid 64 and name N ) (resid 64 and name CA ) ( resid 64 and name C ) 1 -80.00 55.00 2 assign ( resid 64 and name N ) ( resid 64 and name CA ) (resid 64 and name C ) ( resid 65 and name N ) 1 -45.00 60.00 2 assign ( resid 64 and name C ) ( resid 65 and name N ) (resid 65 and name CA ) ( resid 65 and name C ) 1 -180.00 155.00 2 assign ( resid 64 and name C ) ( resid 65 and name N ) (resid 65 and name CA ) ( resid 65 and name C ) 1 -60.00 145.00 2 assign ( resid 65 and name N ) ( resid 65 and name CA ) (resid 65 and name C ) ( resid 66 and name N ) 1 -175.00 130.00 2 assign ( resid 65 and name N ) ( resid 65 and name CA ) (resid 65 and name C ) ( resid 66 and name N ) 1 65.00 120.00 2 assign ( resid 66 and name N ) ( resid 66 and name CA ) (resid 66 and name C ) ( resid 67 and name N ) 1 -150.00 165.00 2 assign ( resid 66 and name N ) ( resid 66 and name CA ) (resid 66 and name C ) ( resid 67 and name N ) 1 55.00 150.00 2 assign ( resid 66 and name C ) ( resid 67 and name N ) (resid 67 and name CA ) ( resid 67 and name C ) 1 -155.00 130.00 2 assign ( resid 66 and name C ) ( resid 67 and name N ) (resid 67 and name CA ) ( resid 67 and name C ) 1 -55.00 150.00 2 assign ( resid 67 and name N ) ( resid 67 and name CA ) (resid 67 and name C ) ( resid 68 and name N ) 1 -60.00 55.00 2 assign ( resid 67 and name C ) ( resid 68 and name N ) (resid 68 and name CA ) ( resid 68 and name C ) 1 -180.00 155.00 2 assign ( resid 67 and name C ) ( resid 68 and name N ) (resid 68 and name CA ) ( resid 68 and name C ) 1 -65.00 120.00 2 assign ( resid 68 and name N ) ( resid 68 and name CA ) (resid 68 and name C ) ( resid 69 and name N ) 1 65.00 160.00 2 assign ( resid 68 and name C ) ( resid 69 and name N ) (resid 69 and name CA ) ( resid 69 and name C ) 1 -180.00 155.00 2 assign ( resid 68 and name C ) ( resid 69 and name N ) (resid 69 and name CA ) ( resid 69 and name C ) 1 -60.00 155.00 2 assign ( resid 69 and name N ) ( resid 69 and name CA ) (resid 69 and name C ) ( resid 70 and name N ) 1 110.00 105.00 2 assign ( resid 69 and name C ) ( resid 70 and name N ) (resid 70 and name CA ) ( resid 70 and name C ) 1 -90.00 55.00 2 assign ( resid 70 and name N ) ( resid 70 and name CA ) (resid 70 and name C ) ( resid 71 and name N ) 1 160.00 45.00 2 assign ( resid 70 and name C ) ( resid 71 and name N ) (resid 71 and name CA ) ( resid 71 and name C ) 1 -175.00 150.00 2 assign ( resid 70 and name C ) ( resid 71 and name N ) (resid 71 and name CA ) ( resid 71 and name C ) 1 -50.00 135.00 2 assign ( resid 71 and name N ) ( resid 71 and name CA ) (resid 71 and name C ) ( resid 72 and name N ) 1 155.00 50.00 2 assign ( resid 71 and name C ) ( resid 72 and name N ) (resid 72 and name CA ) ( resid 72 and name C ) 1 -170.00 145.00 2 assign ( resid 71 and name C ) ( resid 72 and name N ) (resid 72 and name CA ) ( resid 72 and name C ) 1 -45.00 120.00 2 assign ( resid 72 and name N ) ( resid 72 and name CA ) (resid 72 and name C ) ( resid 73 and name N ) 1 150.00 45.00 2 assign ( resid 72 and name C ) ( resid 73 and name N ) (resid 73 and name CA ) ( resid 73 and name C ) 1 -116.00 27.00 2 assign ( resid 73 and name N ) ( resid 73 and name CA ) (resid 73 and name C ) ( resid 74 and name N ) 1 158.00 33.00 2 assign ( resid 73 and name C ) ( resid 74 and name N ) (resid 74 and name CA ) ( resid 74 and name C ) 1 -132.00 13.00 2 assign ( resid 74 and name N ) ( resid 74 and name CA ) (resid 74 and name C ) ( resid 75 and name N ) 1 150.00 35.00 2 assign ( resid 74 and name C ) ( resid 75 and name N ) (resid 75 and name CA ) ( resid 75 and name C ) 1 -180.00 155.00 2 assign ( resid 74 and name C ) ( resid 75 and name N ) (resid 75 and name CA ) ( resid 75 and name C ) 1 -55.00 150.00 2 assign ( resid 75 and name N ) ( resid 75 and name CA ) (resid 75 and name C ) ( resid 76 and name N ) 1 115.00 140.00 2 assign ( resid 75 and name C ) ( resid 76 and name N ) (resid 76 and name CA ) ( resid 76 and name C ) 1 -180.00 155.00 2 assign ( resid 75 and name C ) ( resid 76 and name N ) (resid 76 and name CA ) ( resid 76 and name C ) 1 -60.00 155.00 2 assign ( resid 76 and name N ) ( resid 76 and name CA ) (resid 76 and name C ) ( resid 77 and name N ) 1 -125.00 170.00 2 assign ( resid 76 and name N ) ( resid 76 and name CA ) (resid 76 and name C ) ( resid 77 and name N ) 1 55.00 160.00 2 assign ( resid 76 and name C ) ( resid 77 and name N ) (resid 77 and name CA ) ( resid 77 and name C ) 1 -160.00 135.00 2 assign ( resid 76 and name C ) ( resid 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and name N ) (resid 131 and name CA ) ( resid 131 and name C ) 1 -180.00 155.00 2 assign ( resid 130 and name C ) ( resid 131 and name N ) (resid 131 and name CA ) ( resid 131 and name C ) 1 -60.00 155.00 2 assign ( resid 131 and name C ) ( resid 132 and name N ) (resid 132 and name CA ) ( resid 132 and name C ) 1 -180.00 155.00 2 assign ( resid 131 and name C ) ( resid 132 and name N ) (resid 132 and name CA ) ( resid 132 and name C ) 1 -55.00 150.00 2 assign ( resid 132 and name C ) ( resid 133 and name N ) (resid 133 and name CA ) ( resid 133 and name C ) 1 -180.00 155.00 2 assign ( resid 132 and name C ) ( resid 133 and name N ) (resid 133 and name CA ) ( resid 133 and name C ) 1 -55.00 150.00 2 assign ( resid 133 and name C ) ( resid 134 and name N ) (resid 134 and name CA ) ( resid 134 and name C ) 1 -180.00 155.00 2 assign ( resid 133 and name C ) ( resid 134 and name N ) (resid 134 and name CA ) ( resid 134 and name C ) 1 -60.00 155.00 2 assign ( resid 134 and name C ) ( resid 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( resid 130 and name N ) (resid 130 and name CA ) ( resid 130 and name C ) 1 -60.00 155.00 2 assign ( resid 130 and name C ) ( resid 131 and name N ) (resid 131 and name CA ) ( resid 131 and name C ) 1 -180.00 155.00 2 assign ( resid 130 and name C ) ( resid 131 and name N ) (resid 131 and name CA ) ( resid 131 and name C ) 1 -60.00 155.00 2 assign ( resid 131 and name C ) ( resid 132 and name N ) (resid 132 and name CA ) ( resid 132 and name C ) 1 -180.00 155.00 2 assign ( resid 131 and name C ) ( resid 132 and name N ) (resid 132 and name CA ) ( resid 132 and name C ) 1 -55.00 150.00 2 assign ( resid 132 and name C ) ( resid 133 and name N ) (resid 133 and name CA ) ( resid 133 and name C ) 1 -180.00 155.00 2 assign ( resid 132 and name C ) ( resid 133 and name N ) (resid 133 and name CA ) ( resid 133 and name C ) 1 -55.00 150.00 2 assign ( resid 133 and name C ) ( resid 134 and name N ) (resid 134 and name CA ) ( resid 134 and name C ) 1 -180.00 155.00 2 assign ( resid 133 and name 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2.06 assign ( resid 11 and name HD1 ) ( resid 12 and name HN ) 3.65 1.85 1.85 assign ( resid 11 and name HD1 ) ( resid 12 and name HB* ) 4.09 2.29 2.29 assign ( resid 11 and name HD1 ) ( resid 15 and name HD1* ) 4.16 2.37 2.37 assign ( resid 11 and name HE3 ) ( resid 14 and name HD2* ) 3.90 2.10 2.10 assign ( resid 11 and name HE1 ) ( resid 12 and name HN ) 3.65 1.85 1.85 assign ( resid 11 and name HE1 ) ( resid 15 and name HD1* ) 2.81 1.02 1.02 assign ( resid 11 and name HE1 ) ( resid 15 and name HD2* ) 2.83 1.03 1.03 assign ( resid 11 and name HE1 ) ( resid 21 and name HB* ) 4.09 2.29 2.29 assign ( resid 11 and name HZ3 ) ( resid 74 and name HB ) 3.65 1.85 1.85 assign ( resid 11 and name HZ3 ) ( resid 74 and name HG1* ) 4.16 2.37 2.37 assign ( resid 11 and name HZ3 ) ( resid 74 and name HG2* ) 3.91 2.12 2.12 assign ( resid 11 and name HZ2 ) ( resid 15 and name HD1* ) 3.63 1.84 1.84 assign ( resid 11 and name HZ2 ) ( resid 21 and name HA ) 3.65 1.85 1.85 assign ( resid 11 and name HZ2 ) ( resid 21 and name HB2 ) 3.59 1.79 1.79 assign ( resid 11 and name HZ2 ) ( resid 21 and name HB1 ) 3.59 1.79 1.79 assign ( resid 11 and name HZ2 ) ( resid 21 and name HG2 ) 3.65 1.85 1.85 assign ( resid 11 and name HZ2 ) ( resid 21 and name HG1 ) 3.65 1.85 1.85 assign ( resid 11 and name HZ2 ) ( resid 76 and name HN ) 3.65 1.85 1.85 assign ( resid 11 and name HH2 ) ( resid 21 and name HA ) 3.65 1.85 1.85 assign ( resid 11 and name HH2 ) ( resid 21 and name HB2 ) 3.65 1.85 1.85 assign ( resid 11 and name HH2 ) ( resid 21 and name HB1 ) 3.65 1.85 1.85 assign ( resid 11 and name HH2 ) ( resid 21 and name HG* ) 4.09 2.29 2.29 assign ( resid 11 and name HH2 ) ( resid 74 and name HG1* ) 3.31 1.51 1.51 assign ( resid 11 and name HH2 ) ( resid 74 and name HG2* ) 3.85 2.06 2.06 assign ( resid 11 and name HH2 ) ( resid 75 and name HA ) 3.65 1.85 1.85 assign ( resid 11 and name HH2 ) ( resid 76 and name HN ) 3.65 1.85 1.85 assign ( resid 11 and name HH2 ) ( resid 76 and name HA ) 3.65 1.85 1.85 assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 2.59 0.80 0.80 assign ( resid 12 and name HN ) ( resid 12 and name HB1 ) 2.59 0.80 0.80 assign ( resid 12 and name HN ) ( resid 12 and name HB* ) 2.40 0.60 0.60 assign ( resid 12 and name HN ) ( resid 12 and name HG2 ) 3.46 1.67 1.67 assign ( resid 12 and name HN ) ( resid 12 and name HG1 ) 3.46 1.67 1.67 assign ( resid 12 and name HN ) ( resid 12 and name HG* ) 3.20 1.41 1.41 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 2.73 0.94 0.94 assign ( resid 12 and name HA ) ( resid 12 and name HE2* ) 4.08 2.29 2.29 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 2.90 1.11 1.11 assign ( resid 12 and name HA ) ( resid 15 and name HB2 ) 3.09 1.29 1.29 assign ( resid 12 and name HA ) ( resid 15 and name HB1 ) 3.09 1.29 1.29 assign ( resid 12 and name HA ) ( resid 15 and name HB* ) 2.73 0.94 0.94 assign ( resid 12 and name HA ) ( resid 15 and name HG ) 3.65 1.85 1.85 assign ( resid 12 and name HA ) ( resid 15 and name HD1* ) 3.42 1.62 1.62 assign ( resid 12 and name HB2 ) ( resid 13 and name HN ) 3.09 1.29 1.29 assign ( resid 12 and name HB1 ) ( resid 13 and name HN ) 3.09 1.29 1.29 assign ( resid 12 and name HB* ) ( resid 13 and name HN ) 2.70 0.90 0.90 assign ( resid 12 and name HG2 ) ( resid 15 and name HD2* ) 4.16 2.37 2.37 assign ( resid 12 and name HG1 ) ( resid 15 and name HD2* ) 4.16 2.37 2.37 assign ( resid 12 and name HG* ) ( resid 15 and name HD1* ) 4.60 2.81 2.81 assign ( resid 12 and name HG* ) ( resid 16 and name HB ) 4.09 2.29 2.29 assign ( resid 13 and name HN ) ( resid 13 and name HB2 ) 2.81 1.02 1.02 assign ( resid 13 and name HN ) ( resid 13 and name HB1 ) 2.81 1.02 1.02 assign ( resid 13 and name HN ) ( resid 13 and name HB* ) 2.63 0.84 0.84 assign ( resid 13 and name HN ) ( resid 13 and name HG2 ) 3.65 1.85 1.85 assign ( resid 13 and name HN ) ( resid 13 and name HG1 ) 3.65 1.85 1.85 assign ( resid 13 and name HN ) ( resid 13 and name HG* ) 3.30 1.51 1.51 assign ( resid 13 and name HN ) ( resid 13 and name HD2 ) 3.65 1.85 1.85 assign ( resid 13 and name HN ) ( resid 13 and name HD1 ) 3.65 1.85 1.85 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 3.00 1.20 1.20 assign ( resid 13 and name HA ) ( resid 16 and name HB ) 2.67 0.88 0.88 assign ( resid 13 and name HA ) ( resid 16 and name HG2* ) 4.13 2.34 2.34 assign ( resid 13 and name HB* ) ( resid 13 and name HG* ) 2.14 0.34 0.34 assign ( resid 13 and name HG* ) ( resid 14 and name HG ) 3.58 1.78 1.78 assign ( resid 14 and name HN ) ( resid 14 and name HB2 ) 2.89 1.09 1.09 assign ( resid 14 and name HN ) ( resid 14 and name HB1 ) 2.89 1.09 1.09 assign ( resid 14 and name HN ) ( resid 14 and name HB* ) 2.76 0.97 0.97 assign ( resid 14 and name HN ) ( resid 14 and name HG ) 3.65 1.85 1.85 assign ( resid 14 and name HN ) ( resid 14 and name HD1* ) 3.36 1.56 1.56 assign ( resid 14 and name HN ) ( resid 14 and name HD2* ) 3.59 1.79 1.79 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 2.72 0.92 0.92 assign ( resid 14 and name HA ) ( resid 14 and name HD1* ) 3.00 1.20 1.20 assign ( resid 14 and name HA ) ( resid 14 and name HD2* ) 3.18 1.39 1.39 assign ( resid 14 and name HB2 ) ( resid 15 and name HN ) 2.80 1.00 1.00 assign ( resid 14 and name HB1 ) ( resid 15 and name HN ) 2.80 1.00 1.00 assign ( resid 14 and name HB* ) ( resid 15 and name HN ) 2.67 0.87 0.87 assign ( resid 14 and name HB* ) ( resid 74 and name HG2* ) 4.60 2.81 2.81 assign ( resid 14 and name HG ) ( resid 55 and name HG* ) 4.09 2.29 2.29 assign ( resid 14 and name HD1* ) ( resid 15 and name HN ) 4.04 2.24 2.24 assign ( resid 14 and name HD1* ) ( resid 19 and name HE3 ) 3.22 1.42 1.42 assign ( resid 14 and name HD1* ) ( resid 19 and name HZ3 ) 3.29 1.50 1.50 assign ( resid 14 and name HD2* ) ( resid 15 and name HN ) 4.16 2.37 2.37 assign ( resid 15 and name HN ) ( resid 15 and name HB2 ) 2.75 0.95 0.95 assign ( resid 15 and name HN ) ( resid 15 and name HB1 ) 2.75 0.95 0.95 assign ( resid 15 and name HN ) ( 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assign ( resid 15 and name HD2* ) ( resid 21 and name HG1 ) 3.67 1.87 1.87 assign ( resid 15 and name HD2* ) ( resid 21 and name HG* ) 3.52 1.72 1.72 assign ( resid 15 and name HD2* ) ( resid 21 and name HD2 ) 4.10 2.30 2.30 assign ( resid 15 and name HD2* ) ( resid 21 and name HD1 ) 4.10 2.30 2.30 assign ( resid 16 and name HN ) ( resid 16 and name HB ) 2.89 1.09 1.09 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.43 1.64 1.64 assign ( resid 16 and name HA ) ( resid 16 and name HB ) 2.42 0.63 0.63 assign ( resid 16 and name HB ) ( resid 17 and name HN ) 3.24 1.45 1.45 assign ( resid 17 and name HD* ) ( resid 57 and name HN ) 4.09 2.29 2.29 assign ( resid 19 and name HN ) ( resid 19 and name HD1 ) 3.65 1.85 1.85 assign ( resid 19 and name HN ) ( resid 19 and name HE3 ) 3.65 1.85 1.85 assign ( resid 19 and name HN ) ( resid 19 and name HE1 ) 3.41 1.62 1.62 assign ( resid 19 and name HA ) ( resid 19 and name HD1 ) 3.12 1.33 1.33 assign ( resid 19 and name HA ) ( resid 19 and name HE1 ) 3.65 1.85 1.85 assign ( resid 19 and name HA ) ( resid 20 and name HN ) 2.59 0.80 0.80 assign ( resid 19 and name HA ) ( resid 72 and name HG2* ) 3.68 1.89 1.89 assign ( resid 19 and name HA ) ( resid 73 and name HA ) 2.84 1.05 1.05 assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 2.97 1.17 1.17 assign ( resid 19 and name HB2 ) ( resid 74 and name HG1* ) 4.15 2.35 2.35 assign ( resid 19 and name HB2 ) ( resid 74 and name HG2* ) 4.16 2.37 2.37 assign ( resid 19 and name HB1 ) ( resid 20 and name HN ) 2.64 0.85 0.85 assign ( resid 19 and name HB1 ) ( resid 74 and name HG1* ) 4.16 2.37 2.37 assign ( resid 19 and name HB1 ) ( resid 74 and name HG2* ) 4.16 2.37 2.37 assign ( resid 19 and name HD1 ) ( resid 72 and name HB ) 2.75 0.95 0.95 assign ( resid 19 and name HD1 ) ( resid 72 and name HG1* ) 4.16 2.37 2.37 assign ( resid 19 and name HD1 ) ( resid 72 and name HG2* ) 4.16 2.37 2.37 assign ( resid 19 and name HE3 ) ( resid 74 and name HG1* ) 4.16 2.37 2.37 assign ( resid 19 and name HE1 ) ( resid 58 and name HG2* ) 3.23 1.44 1.44 assign ( resid 19 and name HE1 ) ( resid 59 and name HB* ) 3.63 1.84 1.84 assign ( resid 19 and name HE1 ) ( resid 72 and name HN ) 3.65 1.85 1.85 assign ( resid 19 and name HE1 ) ( resid 72 and name HG2* ) 3.28 1.48 1.48 assign ( resid 19 and name HZ3 ) ( resid 40 and name HD1* ) 3.91 2.12 2.12 assign ( resid 19 and name HZ3 ) ( resid 40 and name HD2* ) 4.15 2.35 2.35 assign ( resid 19 and name HZ3 ) ( resid 55 and name HB2 ) 3.65 1.85 1.85 assign ( resid 19 and name HZ3 ) ( resid 55 and name HB1 ) 3.65 1.85 1.85 assign ( resid 19 and name HZ3 ) ( resid 74 and name HG1* ) 4.16 2.37 2.37 assign ( resid 19 and name HZ2 ) ( resid 58 and name HB ) 3.65 1.85 1.85 assign ( resid 19 and name HZ2 ) ( resid 58 and name HG2* ) 4.16 2.37 2.37 assign ( resid 19 and name HZ2 ) ( resid 59 and name HN ) 3.65 1.85 1.85 assign ( resid 19 and name HZ2 ) ( resid 59 and name HA ) 3.65 1.85 1.85 assign ( resid 19 and name HZ2 ) ( resid 59 and name HB* ) 3.43 1.64 1.64 assign ( resid 19 and name HZ2 ) ( resid 72 and name HG2* ) 4.16 2.37 2.37 assign ( resid 19 and name HH2 ) ( resid 40 and name HG ) 3.65 1.85 1.85 assign ( resid 19 and name HH2 ) ( resid 40 and name HD1* ) 4.11 2.32 2.32 assign ( resid 19 and name HH2 ) ( resid 40 and name HD2* ) 3.90 2.10 2.10 assign ( resid 19 and name HH2 ) ( resid 55 and name HB2 ) 3.65 1.85 1.85 assign ( resid 19 and name HH2 ) ( resid 55 and name HG* ) 4.09 2.29 2.29 assign ( resid 19 and name HH2 ) ( resid 56 and name HA ) 3.65 1.85 1.85 assign ( resid 19 and name HH2 ) ( resid 59 and name HN ) 3.65 1.85 1.85 assign ( resid 19 and name HH2 ) ( resid 59 and name HB* ) 3.96 2.16 2.16 assign ( resid 20 and name HN ) ( resid 20 and name HB2 ) 2.58 0.78 0.78 assign ( resid 20 and name HN ) ( resid 20 and name HB1 ) 2.58 0.78 0.78 assign ( resid 20 and name HN ) ( resid 20 and name HB* ) 2.47 0.68 0.68 assign ( resid 20 and name HN ) ( resid 20 and name HG2 ) 3.65 1.85 1.85 assign ( resid 20 and name HN ) ( resid 20 and name HG1 ) 3.65 1.85 1.85 assign ( resid 20 and name HN ) ( resid 20 and name HG* ) 3.47 1.67 1.67 assign ( resid 20 and name HN ) ( resid 73 and name HA ) 2.52 0.72 0.72 assign ( resid 20 and name HA ) ( resid 20 and name HE2* ) 4.08 2.29 2.29 assign ( resid 20 and name HB2 ) ( resid 30 and name HE1 ) 3.65 1.85 1.85 assign ( resid 20 and name HB2 ) ( resid 73 and name HA ) 3.65 1.85 1.85 assign ( resid 20 and name HB2 ) ( resid 73 and name HB* ) 4.16 2.37 2.37 assign ( resid 20 and name HB1 ) ( resid 30 and name HE1 ) 3.65 1.85 1.85 assign ( resid 20 and name HB1 ) ( resid 73 and name HA ) 3.65 1.85 1.85 assign ( resid 20 and name HB1 ) ( resid 73 and name HB* ) 4.16 2.37 2.37 assign ( resid 20 and name HB* ) ( resid 30 and name HE1 ) 3.52 1.73 1.73 assign ( resid 20 and name HG2 ) ( resid 22 and name HG1* ) 4.16 2.37 2.37 assign ( resid 20 and name HG1 ) ( resid 22 and name HG1* ) 4.16 2.37 2.37 assign ( resid 20 and name HG* ) ( resid 30 and name HE1 ) 3.82 2.03 2.03 assign ( resid 21 and name HA ) ( resid 22 and name HN ) 2.27 0.47 0.47 assign ( resid 21 and name HA ) ( resid 22 and name HA ) 3.21 1.42 1.42 assign ( resid 21 and name HA ) ( resid 22 and name HG1* ) 3.84 2.04 2.04 assign ( resid 21 and name HA ) ( resid 22 and name HG2* ) 3.88 2.09 2.09 assign ( resid 21 and name HA ) ( resid 74 and name HN ) 2.81 1.02 1.02 assign ( resid 21 and name HA ) ( resid 74 and name HG2* ) 3.32 1.53 1.53 assign ( resid 21 and name HB2 ) ( resid 22 and name HN ) 3.09 1.29 1.29 assign ( resid 21 and name HB1 ) ( resid 22 and name HN ) 3.09 1.29 1.29 assign ( resid 21 and name HB* ) ( resid 22 and name HN ) 2.94 1.15 1.15 assign ( resid 21 and name HB* ) ( resid 74 and name HG2* ) 4.32 2.53 2.53 assign ( resid 21 and name HD* ) ( resid 74 and name HG2* ) 4.60 2.81 2.81 assign ( resid 22 and name HN ) ( resid 22 and name HG1* ) 3.15 1.36 1.36 assign ( resid 22 and name HN ) ( resid 22 and name HG2* ) 2.70 0.91 0.91 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.65 1.85 1.85 assign ( resid 22 and name HN ) ( resid 73 and name HB* ) 3.93 2.13 2.13 assign ( resid 22 and name HN ) ( resid 74 and name HN ) 2.76 0.97 0.97 assign ( resid 22 and name HN ) ( resid 74 and name HG2* ) 4.08 2.29 2.29 assign ( resid 22 and name HN ) ( resid 75 and name HA ) 3.15 1.36 1.36 assign ( resid 22 and name HN ) ( resid 75 and name HB* ) 4.07 2.27 2.27 assign ( resid 22 and name HA ) ( resid 23 and name HN ) 2.31 0.52 0.52 assign ( resid 22 and name HA ) ( resid 23 and name HG2 ) 3.65 1.85 1.85 assign ( resid 22 and name HA ) ( resid 23 and name HG1 ) 3.65 1.85 1.85 assign ( resid 22 and name HB ) ( resid 23 and name HN ) 2.27 0.47 0.47 assign ( resid 22 and name HB ) ( resid 27 and name HA ) 3.65 1.85 1.85 assign ( resid 22 and name HB ) ( resid 27 and name HB ) 3.65 1.85 1.85 assign ( resid 22 and name HB ) ( resid 73 and name HB* ) 4.16 2.37 2.37 assign ( resid 22 and name HG1* ) ( resid 23 and name HN ) 3.26 1.47 1.47 assign ( resid 22 and name HG1* ) ( resid 27 and name HA ) 3.80 2.01 2.01 assign ( resid 22 and name HG1* ) ( resid 30 and name HN ) 4.16 2.37 2.37 assign ( resid 22 and name HG1* ) ( resid 30 and name HB2 ) 3.73 1.93 1.93 assign ( resid 22 and name HG1* ) ( resid 39 and name HG2* ) 4.16 2.37 2.37 assign ( resid 22 and name HG1* ) ( resid 39 and name HG1* ) 3.98 2.19 2.19 assign ( resid 22 and name HG1* ) ( resid 39 and name HD1* ) 4.26 2.46 2.46 assign ( resid 22 and name HG1* ) ( resid 73 and name HB* ) 3.59 1.80 1.80 assign ( resid 22 and name HG1* ) ( resid 74 and name HN ) 3.74 1.95 1.95 assign ( resid 22 and name HG1* ) ( resid 75 and name HB* ) 4.68 2.88 2.88 assign ( resid 22 and name HG1* ) ( resid 83 and name HD1* ) 4.68 2.88 2.88 assign ( resid 22 and name HG2* ) ( resid 23 and name HN ) 2.83 1.03 1.03 assign ( resid 22 and name HG2* ) ( resid 27 and name HN ) 4.16 2.37 2.37 assign ( resid 22 and name HG2* ) ( resid 27 and name HA ) 3.74 1.95 1.95 assign ( resid 22 and name HG2* ) ( resid 27 and name HB ) 3.23 1.44 1.44 assign ( resid 22 and name HG2* ) ( resid 30 and name HB1 ) 4.16 2.37 2.37 assign ( resid 22 and name HG2* ) ( resid 39 and name HA ) 4.16 2.37 2.37 assign ( resid 22 and name HG2* ) ( resid 39 and name HG1* ) 3.33 1.54 1.54 assign ( resid 22 and name HG2* ) ( resid 73 and name HB* ) 4.01 2.21 2.21 assign ( resid 22 and name HG2* ) ( resid 74 and name HN ) 3.32 1.53 1.53 assign ( resid 22 and name HG2* ) ( resid 75 and name HA ) 4.16 2.37 2.37 assign ( resid 22 and name HG2* ) ( resid 75 and name HB* ) 4.68 2.88 2.88 assign ( resid 23 and name HN ) ( resid 23 and name HB2 ) 2.87 1.08 1.08 assign ( resid 23 and name HN ) ( resid 23 and name HB1 ) 2.87 1.08 1.08 assign ( resid 23 and name HN ) ( resid 23 and name HB* ) 2.68 0.89 0.89 assign ( resid 23 and name HN ) ( resid 23 and name HG2 ) 3.29 1.50 1.50 assign ( resid 23 and name HN ) ( resid 23 and name HG1 ) 3.29 1.50 1.50 assign ( resid 23 and name HN ) ( resid 23 and name HG* ) 2.99 1.19 1.19 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 3.18 1.39 1.39 assign ( resid 23 and name HN ) ( resid 26 and name HG2* ) 3.62 1.82 1.82 assign ( resid 23 and name HN ) ( resid 27 and name HB ) 2.70 0.91 0.91 assign ( resid 23 and name HN ) ( resid 27 and name HG1* ) 4.16 2.37 2.37 assign ( resid 23 and name HN ) ( resid 83 and name HD1* ) 4.16 2.37 2.37 assign ( resid 23 and name HA ) ( resid 24 and name HN ) 2.33 0.54 0.54 assign ( resid 23 and name HA ) ( resid 79 and name HG2 ) 3.65 1.85 1.85 assign ( resid 23 and name HA ) ( resid 79 and name HG1 ) 3.65 1.85 1.85 assign ( resid 23 and name HA ) ( resid 83 and name HD1* ) 4.16 2.37 2.37 assign ( resid 23 and name HB2 ) ( resid 24 and name HN ) 2.62 0.83 0.83 assign ( resid 23 and name HB2 ) ( resid 26 and name HN ) 2.81 1.02 1.02 assign ( resid 23 and name HB2 ) ( resid 26 and name HG2* ) 3.54 1.75 1.75 assign ( resid 23 and name HB1 ) ( resid 24 and name HN ) 2.62 0.83 0.83 assign ( resid 23 and name HB1 ) ( resid 26 and name HN ) 2.81 1.02 1.02 assign ( resid 23 and name HB1 ) ( resid 26 and name HG2* ) 3.54 1.75 1.75 assign ( resid 23 and name HB* ) ( resid 26 and name HN ) 2.68 0.88 0.88 assign ( resid 23 and name HB* ) ( resid 26 and name HG2* ) 3.27 1.48 1.48 assign ( resid 23 and name HB* ) ( resid 79 and name HG* ) 4.52 2.73 2.73 assign ( resid 23 and name HG2 ) ( resid 24 and name HN ) 3.65 1.85 1.85 assign ( resid 23 and name HG2 ) ( resid 79 and name HG2 ) 4.52 2.73 2.73 assign ( resid 23 and name HG2 ) ( resid 79 and name HG1 ) 4.52 2.73 2.73 assign ( resid 23 and name HG1 ) ( resid 24 and name HN ) 3.65 1.85 1.85 assign ( resid 23 and name HG1 ) ( resid 79 and name HG2 ) 4.52 2.73 2.73 assign ( resid 23 and name HG1 ) ( resid 79 and name HG1 ) 4.52 2.73 2.73 assign ( resid 23 and name HG* ) ( resid 24 and name HN ) 3.30 1.50 1.50 assign ( resid 23 and name HG* ) ( resid 26 and name HG2* ) 4.17 2.37 2.37 assign ( resid 23 and name HG* ) ( resid 75 and name HB* ) 4.60 2.81 2.81 assign ( resid 23 and name HG* ) ( resid 79 and name HG* ) 4.06 2.26 2.26 assign ( resid 24 and name HN ) ( resid 24 and name HB* ) 2.61 0.82 0.82 assign ( resid 24 and name HN ) ( resid 79 and name HG* ) 4.09 2.29 2.29 assign ( resid 24 and name HN ) ( resid 83 and name HG1* ) 3.89 2.09 2.09 assign ( resid 24 and name HN ) ( resid 83 and name HD1* ) 3.42 1.62 1.62 assign ( resid 24 and name HA ) ( resid 27 and name HN ) 3.18 1.39 1.39 assign ( resid 24 and name HA ) ( resid 27 and name HB ) 3.03 1.23 1.23 assign ( resid 24 and name HA ) ( resid 27 and name HG1* ) 3.60 1.81 1.81 assign ( resid 24 and name HA ) ( resid 27 and name HG2* ) 3.79 1.99 1.99 assign ( resid 24 and name HA ) ( resid 83 and name HG1* ) 3.50 1.70 1.70 assign ( resid 24 and name HA ) ( resid 83 and name HD1* ) 3.40 1.61 1.61 assign ( resid 24 and name HB* ) ( resid 79 and name HA ) 3.05 1.25 1.25 assign ( resid 24 and name HB* ) ( resid 79 and name HB* ) 4.31 2.51 2.51 assign ( resid 24 and name HB* ) ( resid 83 and name HN ) 3.76 1.96 1.96 assign ( resid 24 and name HB* ) ( resid 83 and name HA ) 4.16 2.37 2.37 assign ( resid 24 and name HB* ) ( resid 83 and name HG2* ) 4.68 2.88 2.88 assign ( resid 24 and name HB* ) ( resid 83 and name HG12 ) 3.68 1.89 1.89 assign ( resid 24 and name HB* ) ( resid 83 and name HG11 ) 3.68 1.89 1.89 assign ( resid 24 and name HB* ) ( resid 83 and name HG1* ) 3.52 1.73 1.73 assign ( resid 24 and name HB* ) ( resid 83 and name HD1* ) 4.68 2.88 2.88 assign ( resid 25 and name HA ) ( resid 27 and name HN ) 3.54 1.74 1.74 assign ( resid 26 and name HN ) ( resid 26 and name HG2* ) 2.91 1.11 1.11 assign ( resid 26 and name HA ) ( resid 27 and name HN ) 2.66 0.86 0.86 assign ( resid 26 and name HA ) ( resid 29 and name HN ) 2.76 0.97 0.97 assign ( resid 26 and name HA ) ( resid 29 and name HB* ) 3.76 1.97 1.97 assign ( resid 26 and name HB ) ( resid 29 and name HB* ) 3.73 1.94 1.94 assign ( resid 27 and name HN ) ( resid 27 and name HB ) 2.33 0.54 0.54 assign ( resid 27 and name HN ) ( resid 27 and name HG1* ) 2.61 0.82 0.82 assign ( resid 27 and name HN ) ( resid 27 and name HG2* ) 3.28 1.48 1.48 assign ( resid 27 and name HN ) ( resid 28 and name HN ) 2.52 0.72 0.72 assign ( resid 27 and name HN ) ( resid 30 and name HN ) 3.46 1.67 1.67 assign ( resid 27 and name HA ) ( resid 30 and name HN ) 2.75 0.95 0.95 assign ( resid 27 and name HA ) ( resid 30 and name HB1 ) 2.80 1.00 1.00 assign ( resid 27 and name HA ) ( resid 31 and name HN ) 3.23 1.43 1.43 assign ( resid 27 and name HA ) ( resid 39 and name HG1* ) 3.39 1.60 1.60 assign ( resid 27 and name HB ) ( resid 28 and name HN ) 2.97 1.17 1.17 assign ( resid 27 and name HG1* ) ( resid 28 and name HN ) 3.32 1.53 1.53 assign ( resid 27 and name HG1* ) ( resid 28 and name HA ) 3.79 1.99 1.99 assign ( resid 27 and name HG1* ) ( resid 29 and name HN ) 4.16 2.37 2.37 assign ( resid 27 and name HG1* ) ( resid 30 and name HE3 ) 4.16 2.37 2.37 assign ( resid 27 and name HG1* ) ( resid 31 and name HD1* ) 4.68 2.88 2.88 assign ( resid 27 and name HG1* ) ( resid 39 and name HG2* ) 4.66 2.86 2.86 assign ( resid 27 and name HG1* ) ( resid 39 and name HD1* ) 4.64 2.85 2.85 assign ( resid 27 and name HG1* ) ( resid 83 and name HA ) 4.16 2.37 2.37 assign ( resid 27 and name HG1* ) ( resid 83 and name HG1* ) 4.60 2.81 2.81 assign ( resid 27 and name HG1* ) ( resid 87 and name HE2 ) 3.28 1.48 1.48 assign ( resid 27 and name HG2* ) ( resid 28 and name HN ) 3.93 2.13 2.13 assign ( resid 27 and name HG2* ) ( resid 28 and name HA ) 4.16 2.37 2.37 assign ( resid 27 and name HG2* ) ( resid 30 and name HB2 ) 4.16 2.37 2.37 assign ( resid 27 and name HG2* ) ( resid 30 and name HB1 ) 4.16 2.37 2.37 assign ( resid 27 and name HG2* ) ( resid 31 and name HN ) 3.68 1.89 1.89 assign ( resid 27 and name HG2* ) ( resid 31 and name HG1* ) 4.60 2.81 2.81 assign ( resid 27 and name HG2* ) ( resid 31 and name HD1* ) 4.57 2.77 2.77 assign ( resid 27 and name HG2* ) ( resid 39 and name HB ) 3.62 1.82 1.82 assign ( resid 27 and name HG2* ) ( resid 39 and name HG2* ) 3.98 2.18 2.18 assign ( resid 27 and name HG2* ) ( resid 39 and name HG1* ) 3.98 2.19 2.19 assign ( resid 27 and name HG2* ) ( resid 39 and name HD1* ) 4.49 2.69 2.69 assign ( resid 27 and name HG2* ) ( resid 87 and name HE2 ) 3.77 1.98 1.98 assign ( resid 28 and name HN ) ( resid 28 and name HB2 ) 2.80 1.00 1.00 assign ( resid 28 and name HN ) ( resid 28 and name HB1 ) 2.80 1.00 1.00 assign ( resid 28 and name HN ) ( resid 28 and name HB* ) 2.47 0.67 0.67 assign ( resid 28 and name HN ) ( resid 29 and name HN ) 2.44 0.64 0.64 assign ( resid 28 and name HA ) ( resid 31 and name HN ) 3.12 1.33 1.33 assign ( resid 28 and name HA ) ( resid 31 and name HB ) 2.64 0.85 0.85 assign ( resid 28 and name HA ) ( resid 31 and name HD1* ) 3.18 1.39 1.39 assign ( resid 28 and name HB2 ) ( resid 29 and name HN ) 3.34 1.54 1.54 assign ( resid 28 and name HB1 ) ( resid 29 and name HN ) 3.34 1.54 1.54 assign ( resid 28 and name HB* ) ( resid 29 and name HN ) 3.06 1.26 1.26 assign ( resid 29 and name HN ) ( resid 29 and name HB2 ) 2.52 0.72 0.72 assign ( resid 29 and name HN ) ( resid 29 and name HB1 ) 2.52 0.72 0.72 assign ( resid 29 and name HN ) ( resid 29 and name HB* ) 2.27 0.47 0.47 assign ( resid 29 and name HN ) ( resid 30 and name HN ) 2.35 0.55 0.55 assign ( resid 29 and name HN ) ( resid 31 and name HN ) 3.29 1.50 1.50 assign ( resid 29 and name HA ) ( resid 32 and name HN ) 2.80 1.00 1.00 assign ( resid 29 and name HA ) ( resid 32 and name HB* ) 2.92 1.13 1.13 assign ( resid 29 and name HA ) ( resid 32 and name HG2 ) 3.65 1.85 1.85 assign ( resid 29 and name HA ) ( resid 32 and name HD* ) 4.09 2.29 2.29 assign ( resid 29 and name HA ) ( resid 32 and name HE* ) 4.09 2.29 2.29 assign ( resid 29 and name HB2 ) ( resid 30 and name HN ) 2.81 1.02 1.02 assign ( resid 29 and name HB1 ) ( resid 30 and name HN ) 2.81 1.02 1.02 assign ( resid 29 and name HB* ) ( resid 30 and name HN ) 2.71 0.91 0.91 assign ( resid 30 and name HN ) ( resid 30 and name HB2 ) 2.30 0.50 0.50 assign ( resid 30 and name HN ) ( resid 30 and name HB1 ) 2.31 0.52 0.52 assign ( resid 30 and name HN ) ( resid 30 and name HD1 ) 3.65 1.85 1.85 assign ( resid 30 and name HN ) ( resid 30 and name HE3 ) 3.65 1.85 1.85 assign ( resid 30 and name HN ) ( resid 31 and name HN ) 2.39 0.60 0.60 assign ( resid 30 and name HN ) ( resid 31 and name HB ) 3.48 1.68 1.68 assign ( resid 30 and name HN ) ( resid 32 and name HN ) 3.20 1.40 1.40 assign ( resid 30 and name HA ) ( resid 30 and name HD1 ) 3.65 1.85 1.85 assign ( resid 30 and name HA ) ( resid 30 and name HE1 ) 3.65 1.85 1.85 assign ( resid 30 and name HA ) ( resid 33 and name HB1 ) 2.67 0.88 0.88 assign ( resid 30 and name HB2 ) ( resid 31 and name HN ) 3.14 1.34 1.34 assign ( resid 30 and name HB1 ) ( resid 31 and name HN ) 2.75 0.95 0.95 assign ( resid 30 and name HD1 ) ( resid 34 and name HG1* ) 4.16 2.37 2.37 assign ( resid 30 and name HE3 ) ( resid 31 and name HN ) 3.04 1.25 1.25 assign ( resid 30 and name HE3 ) ( resid 31 and name HA ) 3.55 1.76 1.76 assign ( resid 30 and name HE3 ) ( resid 31 and name HB ) 3.65 1.85 1.85 assign ( resid 30 and name HE3 ) ( resid 31 and name HG12 ) 3.65 1.85 1.85 assign ( resid 30 and name HE3 ) ( resid 31 and name HG11 ) 3.65 1.85 1.85 assign ( resid 30 and name HE3 ) ( resid 31 and name HG1* ) 3.46 1.66 1.66 assign ( resid 30 and name HE3 ) ( resid 31 and name HD1* ) 3.59 1.79 1.79 assign ( resid 30 and name HE3 ) ( resid 37 and name HA* ) 4.09 2.29 2.29 assign ( resid 30 and name HE3 ) ( resid 39 and name HG1* ) 4.09 2.29 2.29 assign ( resid 30 and name HE3 ) ( resid 39 and name HD1* ) 4.16 2.37 2.37 assign ( resid 30 and name HE1 ) ( resid 34 and name HG1* ) 2.72 0.92 0.92 assign ( resid 30 and name HE1 ) ( resid 34 and name HG2* ) 4.16 2.37 2.37 assign ( resid 30 and name HE1 ) ( resid 71 and name HB2 ) 3.65 1.85 1.85 assign ( resid 30 and name HE1 ) ( resid 71 and name HB1 ) 3.65 1.85 1.85 assign ( resid 30 and name HZ3 ) ( resid 31 and name HD1* ) 4.16 2.37 2.37 assign ( resid 30 and name HZ3 ) ( resid 39 and name HG1* ) 4.09 2.29 2.29 assign ( resid 30 and name HZ3 ) ( resid 39 and name HD1* ) 3.51 1.72 1.72 assign ( resid 30 and name HZ3 ) ( resid 73 and name HB* ) 4.16 2.37 2.37 assign ( resid 30 and name HZ2 ) ( resid 34 and name HG1* ) 3.51 1.72 1.72 assign ( resid 30 and name HZ2 ) ( resid 71 and name HB2 ) 3.65 1.85 1.85 assign ( resid 30 and name HZ2 ) ( resid 71 and name HB1 ) 3.65 1.85 1.85 assign ( resid 30 and name HZ2 ) ( resid 71 and name HB* ) 3.51 1.72 1.72 assign ( resid 30 and name HZ2 ) ( resid 73 and name HB* ) 3.48 1.68 1.68 assign ( resid 30 and name HH2 ) ( resid 34 and name HG1* ) 3.82 2.03 2.03 assign ( resid 30 and name HH2 ) ( resid 34 and name HG2* ) 4.16 2.37 2.37 assign ( resid 30 and name HH2 ) ( resid 38 and name HN ) 3.06 1.26 1.26 assign ( resid 30 and name HH2 ) ( resid 71 and name HB* ) 4.09 2.29 2.29 assign ( resid 30 and name HH2 ) ( resid 72 and name HA ) 3.65 1.85 1.85 assign ( resid 30 and name HH2 ) ( resid 73 and name HN ) 3.31 1.51 1.51 assign ( resid 31 and name HN ) ( resid 31 and name HB ) 2.24 0.44 0.44 assign ( resid 31 and name HN ) ( resid 31 and name HG2* ) 3.25 1.45 1.45 assign ( resid 31 and name HN ) ( resid 31 and name HG12 ) 3.21 1.42 1.42 assign ( resid 31 and name HN ) ( resid 31 and name HG11 ) 3.21 1.42 1.42 assign ( resid 31 and name HN ) ( resid 31 and name HG1* ) 2.88 1.08 1.08 assign ( resid 31 and name HN ) ( resid 31 and name HD1* ) 2.92 1.13 1.13 assign ( resid 31 and name HN ) ( resid 32 and name HN ) 2.50 0.71 0.71 assign ( resid 31 and name HN ) ( resid 33 and name HN ) 3.00 1.20 1.20 assign ( resid 31 and name HA ) ( resid 31 and name HD1* ) 3.22 1.42 1.42 assign ( resid 31 and name HA ) ( resid 34 and name HG2* ) 3.01 1.22 1.22 assign ( resid 31 and name HA ) ( resid 35 and name HN ) 2.98 1.19 1.19 assign ( resid 31 and name HB ) ( resid 32 and name HN ) 2.62 0.83 0.83 assign ( resid 31 and name HB ) ( resid 98 and name HE2 ) 3.65 1.85 1.85 assign ( resid 31 and name HG2* ) ( resid 32 and name HN ) 3.17 1.37 1.37 assign ( resid 31 and name HG2* ) ( resid 32 and name HA ) 3.70 1.90 1.90 assign ( resid 31 and name HG2* ) ( resid 34 and name HG2* ) 4.68 2.88 2.88 assign ( resid 31 and name HG2* ) ( resid 98 and name HA ) 4.16 2.37 2.37 assign ( resid 31 and name HG2* ) ( resid 98 and name HB1 ) 4.16 2.37 2.37 assign ( resid 31 and name HG2* ) ( resid 98 and name HD1 ) 4.16 2.37 2.37 assign ( resid 31 and name HG2* ) ( resid 98 and name HE2 ) 4.16 2.37 2.37 assign ( resid 31 and name HG2* ) ( resid 101 and name HN ) 3.17 1.37 1.37 assign ( resid 31 and name HG2* ) ( resid 101 and name HA2 ) 3.43 1.64 1.64 assign ( resid 31 and name HG2* ) ( resid 101 and name HA1 ) 3.43 1.64 1.64 assign ( resid 31 and name HG2* ) ( resid 101 and name HA* ) 3.30 1.51 1.51 assign ( resid 31 and name HG2* ) ( resid 102 and name HN ) 3.57 1.78 1.78 assign ( resid 31 and name HG12 ) ( resid 32 and name HN ) 3.65 1.85 1.85 assign ( resid 31 and name HG11 ) ( resid 32 and name HN ) 3.65 1.85 1.85 assign ( resid 31 and name HG1* ) ( resid 32 and name HN ) 3.46 1.66 1.66 assign ( resid 31 and name HG1* ) ( resid 39 and name HD1* ) 4.60 2.81 2.81 assign ( resid 31 and name HD1* ) ( resid 32 and name HN ) 4.16 2.37 2.37 assign ( resid 31 and name HD1* ) ( resid 34 and name HG2* ) 4.68 2.88 2.88 assign ( resid 31 and name HD1* ) ( resid 39 and name HG1* ) 3.80 2.00 2.00 assign ( resid 31 and name HD1* ) ( resid 39 and name HD1* ) 4.68 2.88 2.88 assign ( resid 31 and name HD1* ) ( resid 98 and name HN ) 4.16 2.37 2.37 assign ( resid 31 and name HD1* ) ( resid 98 and name HD1 ) 4.16 2.37 2.37 assign ( resid 31 and name HD1* ) ( resid 98 and name HE1 ) 4.16 2.37 2.37 assign ( resid 31 and name HD1* ) ( resid 98 and name HZ ) 4.16 2.37 2.37 assign ( resid 32 and name HN ) ( resid 32 and name HA ) 2.36 0.57 0.57 assign ( resid 32 and name HN ) ( resid 32 and name HB* ) 2.57 0.77 0.77 assign ( resid 32 and name HN ) ( resid 32 and name HG2 ) 3.65 1.85 1.85 assign ( resid 32 and name HN ) ( resid 32 and name HG1 ) 3.65 1.85 1.85 assign ( resid 32 and name HN ) ( resid 32 and name HD* ) 3.84 2.04 2.04 assign ( resid 32 and name HN ) ( resid 32 and name HE* ) 4.09 2.29 2.29 assign ( resid 32 and name HN ) ( resid 33 and name HN ) 2.62 0.83 0.83 assign ( resid 32 and name HA ) ( resid 32 and name HD2 ) 3.65 1.85 1.85 assign ( resid 32 and name HA ) ( resid 32 and name HD1 ) 3.65 1.85 1.85 assign ( resid 32 and name HA ) ( resid 32 and name HE* ) 4.09 2.29 2.29 assign ( resid 32 and name HA ) ( resid 35 and name HA* ) 3.70 1.90 1.90 assign ( resid 32 and name HB* ) ( resid 32 and name HE* ) 4.35 2.56 2.56 assign ( resid 32 and name HB* ) ( resid 33 and name HN ) 2.96 1.16 1.16 assign ( resid 32 and name HG2 ) ( resid 33 and name HN ) 3.55 1.76 1.76 assign ( resid 32 and name HG1 ) ( resid 32 and name HD2 ) 2.36 0.57 0.57 assign ( resid 32 and name HG1 ) ( resid 32 and name HD1 ) 2.36 0.57 0.57 assign ( resid 32 and name HG1 ) ( resid 33 and name HN ) 3.29 1.50 1.50 assign ( resid 32 and name HD* ) ( resid 33 and name HN ) 3.02 1.22 1.22 assign ( resid 32 and name HE* ) ( resid 33 and name HN ) 4.09 2.29 2.29 assign ( resid 33 and name HN ) ( resid 33 and name HB2 ) 2.19 0.40 0.40 assign ( resid 33 and name HN ) ( resid 33 and name HB1 ) 2.39 0.60 0.60 assign ( resid 33 and name HN ) ( resid 33 and name HG* ) 3.16 1.36 1.36 assign ( resid 33 and name HN ) ( resid 33 and name HD* ) 4.09 2.29 2.29 assign ( resid 33 and name HN ) ( resid 34 and name HN ) 2.31 0.52 0.52 assign ( resid 33 and name HN ) ( resid 34 and name HG2* ) 4.16 2.37 2.37 assign ( resid 33 and name HN ) ( resid 35 and name HN ) 2.87 1.08 1.08 assign ( resid 33 and name HA ) ( resid 33 and name HB2 ) 2.42 0.63 0.63 assign ( resid 33 and name HA ) ( resid 33 and name HB1 ) 2.42 0.63 0.63 assign ( resid 33 and name HA ) ( resid 33 and name HG2 ) 3.03 1.23 1.23 assign ( resid 33 and name HA ) ( resid 33 and name HG1 ) 3.03 1.23 1.23 assign ( resid 33 and name HA ) ( resid 33 and name HD* ) 4.09 2.29 2.29 assign ( resid 33 and name HB2 ) ( resid 33 and name HG* ) 2.25 0.46 0.46 assign ( resid 33 and name HB2 ) ( resid 34 and name HN ) 2.67 0.88 0.88 assign ( resid 33 and name HB1 ) ( resid 34 and name HN ) 2.75 0.95 0.95 assign ( resid 33 and name HG2 ) ( resid 34 and name HN ) 3.65 1.85 1.85 assign ( resid 33 and name HG1 ) ( resid 34 and name HN ) 3.65 1.85 1.85 assign ( resid 33 and name HG* ) ( resid 34 and name HN ) 3.36 1.57 1.57 assign ( resid 33 and name HD2 ) ( resid 34 and name HN ) 3.65 1.85 1.85 assign ( resid 33 and name HD1 ) ( resid 34 and name HN ) 3.65 1.85 1.85 assign ( resid 34 and name HN ) ( resid 34 and name HG1* ) 2.61 0.82 0.82 assign ( resid 34 and name HN ) ( resid 34 and name HG2* ) 2.61 0.82 0.82 assign ( resid 34 and name HN ) ( resid 35 and name HN ) 2.50 0.71 0.71 assign ( resid 34 and name HA ) ( resid 34 and name HB ) 2.38 0.58 0.58 assign ( resid 34 and name HA ) ( resid 71 and name HE21 ) 3.65 1.85 1.85 assign ( resid 34 and name HA ) ( resid 71 and name HE22 ) 3.65 1.85 1.85 assign ( resid 34 and name HB ) ( resid 35 and name HN ) 2.90 1.11 1.11 assign ( resid 34 and name HB ) ( resid 36 and name HN ) 3.34 1.54 1.54 assign ( resid 34 and name HB ) ( resid 36 and name HB* ) 3.50 1.70 1.70 assign ( resid 34 and name HB ) ( resid 71 and name HG2 ) 3.65 1.85 1.85 assign ( resid 34 and name HB ) ( resid 71 and name HG1 ) 3.65 1.85 1.85 assign ( resid 34 and name HB ) ( resid 71 and name HG* ) 3.41 1.61 1.61 assign ( resid 34 and name HB ) ( resid 71 and name HE21 ) 3.65 1.85 1.85 assign ( resid 34 and name HB ) ( resid 71 and name HE22 ) 3.65 1.85 1.85 assign ( resid 34 and name HG1* ) ( resid 35 and name HN ) 3.59 1.79 1.79 assign ( resid 34 and name HG1* ) ( resid 36 and name HN ) 3.49 1.70 1.70 assign ( resid 34 and name HG1* ) ( resid 71 and name HN ) 4.16 2.37 2.37 assign ( resid 34 and name HG1* ) ( resid 71 and name HB2 ) 3.09 1.30 1.30 assign ( resid 34 and name HG1* ) ( resid 71 and name HB1 ) 3.09 1.30 1.30 assign ( resid 34 and name HG1* ) ( resid 71 and name HG* ) 3.69 1.89 1.89 assign ( resid 34 and name HG1* ) ( resid 71 and name HE21 ) 3.57 1.78 1.78 assign ( resid 34 and name HG1* ) ( resid 71 and name HE22 ) 3.57 1.78 1.78 assign ( resid 34 and name HG1* ) ( resid 71 and name HE2* ) 3.45 1.66 1.66 assign ( resid 34 and name HG2* ) ( resid 35 and name HN ) 2.66 0.86 0.86 assign ( resid 34 and name HG2* ) ( resid 35 and name HA* ) 4.60 2.81 2.81 assign ( resid 34 and name HG2* ) ( resid 36 and name HN ) 2.92 1.13 1.13 assign ( resid 34 and name HG2* ) ( resid 37 and name HA2 ) 4.16 2.37 2.37 assign ( resid 34 and name HG2* ) ( resid 37 and name HA1 ) 4.16 2.37 2.37 assign ( resid 34 and name HG2* ) ( resid 37 and name HA* ) 3.94 2.14 2.14 assign ( resid 34 and name HG2* ) ( resid 71 and name HB2 ) 3.59 1.79 1.79 assign ( resid 34 and name HG2* ) ( resid 71 and name HB1 ) 3.59 1.79 1.79 assign ( resid 34 and name HG2* ) ( resid 71 and name HB* ) 3.45 1.66 1.66 assign ( resid 34 and name HG2* ) ( resid 71 and name HE2* ) 4.60 2.80 2.80 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 2.55 0.75 0.75 assign ( resid 35 and name HN ) ( resid 101 and name HN ) 3.28 1.48 1.48 assign ( resid 35 and name HA2 ) ( resid 36 and name HN ) 2.64 0.85 0.85 assign ( resid 35 and name HA2 ) ( resid 101 and name HN ) 2.90 1.11 1.11 assign ( resid 35 and name HA1 ) ( resid 36 and name HN ) 2.64 0.85 0.85 assign ( resid 35 and name HA1 ) ( resid 101 and name HN ) 2.90 1.11 1.11 assign ( resid 35 and name HA* ) ( resid 101 and name HN ) 2.67 0.87 0.87 assign ( resid 35 and name HA* ) ( resid 101 and name HA* ) 3.79 2.00 2.00 assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 2.69 0.89 0.89 assign ( resid 36 and name HN ) ( resid 36 and name HB1 ) 2.69 0.89 0.89 assign ( resid 36 and name HN ) ( resid 37 and name HN ) 3.34 1.54 1.54 assign ( resid 36 and name HA ) ( resid 37 and name HN ) 2.30 0.50 0.50 assign ( resid 36 and name HA ) ( resid 37 and name HA* ) 3.31 1.52 1.52 assign ( resid 36 and name HA ) ( resid 99 and name HG2* ) 3.93 2.13 2.13 assign ( resid 36 and name HA ) ( resid 100 and name HN ) 2.92 1.12 1.12 assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 3.32 1.53 1.53 assign ( resid 36 and name HB2 ) ( resid 70 and name HB2 ) 4.24 2.45 2.45 assign ( resid 36 and name HB2 ) ( resid 70 and name HB1 ) 4.24 2.45 2.45 assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 3.32 1.53 1.53 assign ( resid 36 and name HB1 ) ( resid 70 and name HB2 ) 4.24 2.45 2.45 assign ( resid 36 and name HB1 ) ( resid 70 and name HB1 ) 4.24 2.45 2.45 assign ( resid 36 and name HB* ) ( resid 37 and name HN ) 3.05 1.26 1.26 assign ( resid 36 and name HB* ) ( resid 70 and name HN ) 4.09 2.29 2.29 assign ( resid 36 and name HB* ) ( resid 70 and name HA ) 4.09 2.29 2.29 assign ( resid 36 and name HB* ) ( resid 70 and name HB* ) 3.84 2.04 2.04 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 3.37 1.57 1.57 assign ( resid 37 and name HN ) ( resid 70 and name HE3 ) 3.10 1.31 1.31 assign ( resid 37 and name HN ) ( resid 98 and name HN ) 2.83 1.03 1.03 assign ( resid 37 and name HN ) ( resid 98 and name HB2 ) 2.98 1.19 1.19 assign ( resid 37 and name HN ) ( resid 98 and name HB1 ) 3.38 1.59 1.59 assign ( resid 37 and name HN ) ( resid 99 and name HG2* ) 3.46 1.67 1.67 assign ( resid 37 and name HA2 ) ( resid 38 and name HN ) 2.62 0.83 0.83 assign ( resid 37 and name HA2 ) ( resid 70 and name HB2 ) 4.52 2.73 2.73 assign ( resid 37 and name HA2 ) ( resid 70 and name HB1 ) 4.52 2.73 2.73 assign ( resid 37 and name HA2 ) ( resid 70 and name HE3 ) 3.65 1.85 1.85 assign ( resid 37 and name HA2 ) ( resid 71 and name HN ) 2.61 0.81 0.81 assign ( resid 37 and name HA1 ) ( resid 38 and name HN ) 2.62 0.83 0.83 assign ( resid 37 and name HA1 ) ( resid 70 and name HB2 ) 4.52 2.73 2.73 assign ( resid 37 and name HA1 ) ( resid 70 and name HB1 ) 4.52 2.73 2.73 assign ( resid 37 and name HA1 ) ( resid 70 and name HE3 ) 3.65 1.85 1.85 assign ( resid 37 and name HA1 ) ( resid 71 and name HN ) 2.61 0.81 0.81 assign ( resid 37 and name HA* ) ( resid 38 and name HN ) 2.50 0.71 0.71 assign ( resid 37 and name HA* ) ( resid 38 and name HG* ) 5.38 3.59 3.59 assign ( resid 37 and name HA* ) ( resid 70 and name HN ) 4.09 2.29 2.29 assign ( resid 37 and name HA* ) ( resid 70 and name HA ) 3.48 1.69 1.69 assign ( resid 37 and name HA* ) ( resid 70 and name HB* ) 4.06 2.26 2.26 assign ( resid 37 and name HA* ) ( resid 70 and name HE3 ) 3.45 1.65 1.65 assign ( resid 37 and name HA* ) ( resid 71 and name HN ) 2.47 0.68 0.68 assign ( resid 38 and name HN ) ( resid 38 and name HG* ) 2.94 1.15 1.15 assign ( resid 38 and name HN ) ( resid 71 and name HN ) 3.52 1.73 1.73 assign ( resid 38 and name HN ) ( resid 72 and name HA ) 2.81 1.02 1.02 assign ( resid 38 and name HN ) ( resid 72 and name HG2* ) 4.16 2.37 2.37 assign ( resid 38 and name HN ) ( resid 73 and name HN ) 2.87 1.08 1.08 assign ( resid 38 and name HN ) ( resid 98 and name HB2 ) 3.65 1.85 1.85 assign ( resid 38 and name HA ) ( resid 39 and name HN ) 2.31 0.52 0.52 assign ( resid 38 and name HA ) ( resid 39 and name HD1* ) 4.16 2.37 2.37 assign ( resid 38 and name HA ) ( resid 97 and name HA ) 2.86 1.06 1.06 assign ( resid 38 and name HA ) ( resid 98 and name HN ) 3.04 1.25 1.25 assign ( resid 38 and name HB ) ( resid 39 and name HN ) 2.72 0.92 0.92 assign ( resid 38 and name HB ) ( resid 95 and name HG2* ) 3.14 1.34 1.34 assign ( resid 38 and name HB ) ( resid 97 and name HG2* ) 4.16 2.37 2.37 assign ( resid 38 and name HG1* ) ( resid 39 and name HN ) 4.11 2.32 2.32 assign ( resid 38 and name HG1* ) ( resid 62 and name HD1* ) 6.16 4.36 4.36 assign ( resid 38 and name HG1* ) ( resid 62 and name HD2* ) 6.16 4.36 4.36 assign ( resid 38 and name HG1* ) ( resid 70 and name HE3 ) 4.04 2.24 2.24 assign ( resid 38 and name HG1* ) ( resid 72 and name HA ) 4.16 2.37 2.37 assign ( resid 38 and name HG1* ) ( resid 72 and name HG1* ) 4.68 2.88 2.88 assign ( resid 38 and name HG1* ) ( resid 72 and name HG2* ) 4.15 2.35 2.35 assign ( resid 38 and name HG1* ) ( resid 95 and name HG2* ) 4.40 2.60 2.60 assign ( resid 38 and name HG2* ) ( resid 39 and name HN ) 4.11 2.32 2.32 assign ( resid 38 and name HG2* ) ( resid 62 and name HD1* ) 6.16 4.36 4.36 assign ( resid 38 and name HG2* ) ( resid 62 and name HD2* ) 6.16 4.36 4.36 assign ( resid 38 and name HG2* ) ( resid 70 and name HE3 ) 4.04 2.24 2.24 assign ( resid 38 and name HG2* ) ( resid 72 and name HA ) 4.16 2.37 2.37 assign ( resid 38 and name HG2* ) ( resid 72 and name HG1* ) 4.68 2.88 2.88 assign ( resid 38 and name HG2* ) ( resid 72 and name HG2* ) 4.15 2.35 2.35 assign ( resid 38 and name HG2* ) ( resid 95 and name HG2* ) 4.40 2.60 2.60 assign ( resid 38 and name HG* ) ( resid 39 and name HN ) 3.58 1.79 1.79 assign ( resid 38 and name HG* ) ( resid 40 and name HG ) 4.94 3.15 3.15 assign ( resid 38 and name HG* ) ( resid 62 and name HD* ) 5.13 3.34 3.34 assign ( resid 38 and name HG* ) ( resid 72 and name HN ) 4.94 3.15 3.15 assign ( resid 38 and name HG* ) ( resid 72 and name HA ) 3.81 2.02 2.02 assign ( resid 38 and name HG* ) ( resid 72 and name HG1* ) 4.28 2.48 2.48 assign ( resid 38 and name HG* ) ( resid 72 and name HG2* ) 3.90 2.10 2.10 assign ( resid 38 and name HG* ) ( resid 73 and name HN ) 4.94 3.15 3.15 assign ( resid 38 and name HG* ) ( resid 95 and name HG2* ) 4.07 2.28 2.28 assign ( resid 38 and name HG* ) ( resid 97 and name HA ) 4.31 2.51 2.51 assign ( resid 38 and name HG* ) ( resid 98 and name HN ) 4.34 2.54 2.54 assign ( resid 39 and name HN ) ( resid 39 and name HB ) 2.48 0.69 0.69 assign ( resid 39 and name HN ) ( resid 39 and name HG12 ) 3.65 1.85 1.85 assign ( resid 39 and name HN ) ( resid 39 and name HG11 ) 3.65 1.85 1.85 assign ( resid 39 and name HN ) ( resid 39 and name HD1* ) 3.46 1.67 1.67 assign ( resid 39 and name HN ) ( resid 40 and name HN ) 3.40 1.60 1.60 assign ( resid 39 and name HN ) ( resid 95 and name HG2* ) 3.18 1.39 1.39 assign ( resid 39 and name HN ) ( resid 96 and name HN ) 2.75 0.95 0.95 assign ( resid 39 and name HN ) ( resid 98 and name HE1 ) 3.65 1.85 1.85 assign ( resid 39 and name HA ) ( resid 40 and name HN ) 2.27 0.47 0.47 assign ( resid 39 and name HA ) ( resid 73 and name HB* ) 3.37 1.58 1.58 assign ( resid 39 and name HB ) ( resid 39 and name HD1* ) 2.72 0.92 0.92 assign ( resid 39 and name HB ) ( resid 40 and name HN ) 3.18 1.39 1.39 assign ( resid 39 and name HG2* ) ( resid 40 and name HN ) 2.84 1.05 1.05 assign ( resid 39 and name HG2* ) ( resid 40 and name HA ) 4.16 2.37 2.37 assign ( resid 39 and name HG2* ) ( resid 41 and name HA ) 3.79 1.99 1.99 assign ( resid 39 and name HG2* ) ( resid 41 and name HG ) 3.63 1.84 1.84 assign ( resid 39 and name HG2* ) ( resid 41 and name HD2* ) 4.16 2.37 2.37 assign ( resid 39 and name HG2* ) ( resid 73 and name HB* ) 4.68 2.88 2.88 assign ( resid 39 and name HG2* ) ( resid 75 and name HB* ) 4.68 2.88 2.88 assign ( resid 39 and name HG2* ) ( resid 96 and name HB1 ) 4.16 2.37 2.37 assign ( resid 39 and name HG2* ) ( resid 96 and name HG ) 3.32 1.53 1.53 assign ( resid 39 and name HG1* ) ( resid 40 and name HN ) 4.09 2.29 2.29 assign ( resid 39 and name HG1* ) ( resid 73 and name HB* ) 4.60 2.81 2.81 assign ( resid 39 and name HG1* ) ( resid 87 and name HE2 ) 4.09 2.29 2.29 assign ( resid 39 and name HD1* ) ( resid 73 and name HN ) 3.99 2.20 2.20 assign ( resid 39 and name HD1* ) ( resid 73 and name HB* ) 4.54 2.74 2.74 assign ( resid 39 and name HD1* ) ( resid 87 and name HE2 ) 3.59 1.79 1.79 assign ( resid 39 and name HD1* ) ( resid 98 and name HD1 ) 3.84 2.04 2.04 assign ( resid 39 and name HD1* ) ( resid 98 and name HE1 ) 4.08 2.29 2.29 assign ( resid 39 and name HD1* ) ( resid 98 and name HZ ) 3.77 1.98 1.98 assign ( resid 40 and name HN ) ( resid 40 and name HB2 ) 2.81 1.02 1.02 assign ( resid 40 and name HN ) ( resid 40 and name HB1 ) 2.81 1.02 1.02 assign ( resid 40 and name HN ) ( resid 40 and name HB* ) 2.69 0.90 0.90 assign ( resid 40 and name HN ) ( resid 40 and name HG ) 3.15 1.36 1.36 assign ( resid 40 and name HN ) ( resid 40 and name HD1* ) 3.82 2.03 2.03 assign ( resid 40 and name HN ) ( resid 40 and name HD2* ) 3.26 1.47 1.47 assign ( resid 40 and name HN ) ( resid 41 and name HN ) 3.18 1.39 1.39 assign ( resid 40 and name HN ) ( resid 74 and name HA ) 2.58 0.78 0.78 assign ( resid 40 and name HN ) ( resid 74 and name HG1* ) 3.49 1.70 1.70 assign ( resid 40 and name HN ) ( resid 95 and name HG2* ) 4.10 2.30 2.30 assign ( resid 40 and name HA ) ( resid 40 and name HD1* ) 3.54 1.75 1.75 assign ( resid 40 and name HA ) ( resid 40 and name HD2* ) 4.04 2.24 2.24 assign ( resid 40 and name HA ) ( resid 41 and name HN ) 2.53 0.74 0.74 assign ( resid 40 and name HA ) ( resid 95 and name HA ) 2.64 0.85 0.85 assign ( resid 40 and name HB2 ) ( resid 41 and name HN ) 3.26 1.46 1.46 assign ( resid 40 and name HB2 ) ( resid 74 and name HG1* ) 3.59 1.79 1.79 assign ( resid 40 and name HB1 ) ( resid 41 and name HN ) 3.26 1.46 1.46 assign ( resid 40 and name HB1 ) ( resid 74 and name HG1* ) 3.59 1.79 1.79 assign ( resid 40 and name HB* ) ( resid 41 and name HN ) 3.04 1.24 1.24 assign ( resid 40 and name HB* ) ( resid 74 and name HG1* ) 3.31 1.51 1.51 assign ( resid 40 and name HB* ) ( resid 74 and name HG2* ) 4.46 2.67 2.67 assign ( resid 40 and name HG ) ( resid 72 and name HG1* ) 4.16 2.37 2.37 assign ( resid 40 and name HG ) ( resid 74 and name HG1* ) 4.16 2.37 2.37 assign ( resid 40 and name HD1* ) ( resid 41 and name HN ) 4.16 2.37 2.37 assign ( resid 40 and name HD1* ) ( resid 55 and name HA ) 3.54 1.75 1.75 assign ( resid 40 and name HD1* ) ( resid 55 and name HB2 ) 3.63 1.84 1.84 assign ( resid 40 and name HD1* ) ( resid 55 and name HB1 ) 4.05 2.26 2.26 assign ( resid 40 and name HD1* ) ( resid 55 and name HG2 ) 3.80 2.01 2.01 assign ( resid 40 and name HD1* ) ( resid 55 and name HG1 ) 3.80 2.01 2.01 assign ( resid 40 and name HD1* ) ( resid 58 and name HB ) 3.18 1.39 1.39 assign ( resid 40 and name HD1* ) ( resid 58 and name HD1* ) 4.50 2.71 2.71 assign ( resid 40 and name HD1* ) ( resid 72 and name HG1* ) 4.68 2.88 2.88 assign ( resid 40 and name HD1* ) ( resid 74 and name HA ) 4.16 2.37 2.37 assign ( resid 40 and name HD1* ) ( resid 74 and name HG1* ) 4.68 2.88 2.88 assign ( resid 40 and name HD2* ) ( resid 41 and name HN ) 4.16 2.37 2.37 assign ( resid 40 and name HD2* ) ( resid 55 and name HA ) 4.16 2.37 2.37 assign ( resid 40 and name HD2* ) ( resid 58 and name HB ) 3.49 1.70 1.70 assign ( resid 40 and name HD2* ) ( resid 58 and name HG1* ) 3.53 1.74 1.74 assign ( resid 40 and name HD2* ) ( resid 72 and name HG1* ) 4.02 2.23 2.23 assign ( resid 40 and name HD2* ) ( resid 74 and name HA ) 4.16 2.37 2.37 assign ( resid 40 and name HD2* ) ( resid 94 and name HA ) 4.16 2.37 2.37 assign ( resid 40 and name HD2* ) ( resid 95 and name HN ) 3.82 2.03 2.03 assign ( resid 40 and name HD2* ) ( resid 95 and name HA ) 3.99 2.20 2.20 assign ( resid 40 and name HD2* ) ( resid 95 and name HB ) 3.49 1.70 1.70 assign ( resid 41 and name HN ) ( resid 41 and name HB1 ) 2.83 1.03 1.03 assign ( resid 41 and name HN ) ( resid 41 and name HG ) 3.20 1.40 1.40 assign ( resid 41 and name HN ) ( resid 41 and name HD1* ) 4.10 2.30 2.30 assign ( resid 41 and name HN ) ( resid 41 and name HD2* ) 3.76 1.96 1.96 assign ( resid 41 and name HN ) ( resid 94 and name HN ) 2.70 0.91 0.91 assign ( resid 41 and name HN ) ( resid 95 and name HA ) 2.87 1.08 1.08 assign ( resid 41 and name HA ) ( resid 41 and name HD1* ) 4.16 2.37 2.37 assign ( resid 41 and name HA ) ( resid 41 and name HD2* ) 3.20 1.41 1.41 assign ( resid 41 and name HA ) ( resid 42 and name HN ) 2.35 0.55 0.55 assign ( resid 41 and name HB2 ) ( resid 42 and name HN ) 2.73 0.94 0.94 assign ( resid 41 and name HB2 ) ( resid 42 and name HB* ) 3.85 2.06 2.06 assign ( resid 41 and name HB2 ) ( resid 80 and name HB* ) 4.09 2.29 2.29 assign ( resid 41 and name HB2 ) ( resid 89 and name HG* ) 4.89 3.10 3.10 assign ( resid 41 and name HB1 ) ( resid 80 and name HA ) 3.65 1.85 1.85 assign ( resid 41 and name HB1 ) ( resid 94 and name HN ) 3.17 1.37 1.37 assign ( resid 41 and name HD1* ) ( resid 83 and name HB ) 4.16 2.37 2.37 assign ( resid 41 and name HD1* ) ( resid 84 and name HN ) 3.23 1.44 1.44 assign ( resid 41 and name HD1* ) ( resid 84 and name HA2 ) 3.73 1.93 1.93 assign ( resid 41 and name HD1* ) ( resid 84 and name HA1 ) 3.71 1.92 1.92 assign ( resid 41 and name HD1* ) ( resid 89 and name HB ) 4.16 2.37 2.37 assign ( resid 41 and name HD1* ) ( resid 89 and name HG* ) 5.35 3.55 3.55 assign ( resid 41 and name HD1* ) ( resid 94 and name HN ) 3.79 1.99 1.99 assign ( resid 41 and name HD1* ) ( resid 94 and name HB* ) 4.68 2.88 2.88 assign ( resid 41 and name HD1* ) ( resid 96 and name HD* ) 4.51 2.72 2.72 assign ( resid 41 and name HD2* ) ( resid 42 and name HN ) 3.45 1.65 1.65 assign ( resid 41 and name HD2* ) ( resid 75 and name HB* ) 4.68 2.88 2.88 assign ( resid 41 and name HD2* ) ( resid 80 and name HA ) 3.40 1.61 1.61 assign ( resid 41 and name HD2* ) ( resid 83 and name HB ) 4.01 2.21 2.21 assign ( resid 41 and name HD2* ) ( resid 84 and name HA1 ) 3.09 1.30 1.30 assign ( resid 41 and name HD2* ) ( resid 89 and name HG* ) 5.46 3.66 3.66 assign ( resid 41 and name HD2* ) ( resid 96 and name HD* ) 4.58 2.78 2.78 assign ( resid 42 and name HN ) ( resid 42 and name HB2 ) 2.90 1.11 1.11 assign ( resid 42 and name HN ) ( resid 42 and name HB1 ) 2.90 1.11 1.11 assign ( resid 42 and name HN ) ( resid 42 and name HB* ) 2.67 0.88 0.88 assign ( resid 42 and name HN ) ( resid 75 and name HB* ) 4.16 2.37 2.37 assign ( resid 42 and name HN ) ( resid 80 and name HB* ) 4.09 2.29 2.29 assign ( resid 42 and name HA ) ( resid 75 and name HB* ) 3.90 2.10 2.10 assign ( resid 42 and name HB2 ) ( resid 80 and name HA ) 3.65 1.85 1.85 assign ( resid 42 and name HB1 ) ( resid 80 and name HA ) 3.65 1.85 1.85 assign ( resid 42 and name HB* ) ( resid 77 and name HD2* ) 4.60 2.81 2.81 assign ( resid 42 and name HB* ) ( resid 80 and name HN ) 4.09 2.29 2.29 assign ( resid 42 and name HB* ) ( resid 80 and name HB* ) 4.52 2.73 2.73 assign ( resid 55 and name HA ) ( resid 58 and name HN ) 3.34 1.54 1.54 assign ( resid 55 and name HA ) ( resid 58 and name HB ) 3.12 1.33 1.33 assign ( resid 55 and name HA ) ( resid 58 and name HG2* ) 4.16 2.37 2.37 assign ( resid 55 and name HB1 ) ( resid 58 and name HG2* ) 4.16 2.37 2.37 assign ( resid 55 and name HG2 ) ( resid 56 and name HG1* ) 5.72 3.93 3.93 assign ( resid 55 and name HG2 ) ( resid 56 and name HG2* ) 5.72 3.93 3.93 assign ( resid 55 and name HG1 ) ( resid 56 and name HG1* ) 5.72 3.93 3.93 assign ( resid 55 and name HG1 ) ( resid 56 and name HG2* ) 5.72 3.93 3.93 assign ( resid 55 and name HG* ) ( resid 56 and name HG* ) 4.66 2.87 2.87 assign ( resid 55 and name HG* ) ( resid 58 and name HG2* ) 4.60 2.81 2.81 assign ( resid 56 and name HN ) ( resid 56 and name HB ) 2.90 1.11 1.11 assign ( resid 56 and name HN ) ( resid 57 and name HN ) 3.31 1.51 1.51 assign ( resid 56 and name HN ) ( resid 58 and name HB ) 3.52 1.73 1.73 assign ( resid 56 and name HA ) ( resid 59 and name HB* ) 3.49 1.70 1.70 assign ( resid 56 and name HB ) ( resid 57 and name HN ) 2.64 0.85 0.85 assign ( resid 56 and name HG1* ) ( resid 57 and name HN ) 4.16 2.37 2.37 assign ( resid 56 and name HG2* ) ( resid 57 and name HN ) 4.16 2.37 2.37 assign ( resid 56 and name HG* ) ( resid 59 and name HB* ) 5.46 3.66 3.66 assign ( resid 57 and name HN ) ( resid 57 and name HG2 ) 3.65 1.85 1.85 assign ( resid 57 and name HN ) ( resid 57 and name HG1 ) 3.65 1.85 1.85 assign ( resid 57 and name HA ) ( resid 60 and name HN ) 3.48 1.68 1.68 assign ( resid 57 and name HB2 ) ( resid 58 and name HN ) 3.65 1.85 1.85 assign ( resid 57 and name HB1 ) ( resid 58 and name HN ) 3.65 1.85 1.85 assign ( resid 57 and name HB* ) ( resid 58 and name HB ) 3.73 1.94 1.94 assign ( resid 57 and name HB* ) ( resid 59 and name HN ) 3.68 1.89 1.89 assign ( resid 58 and name HN ) ( resid 58 and name HB ) 2.76 0.97 0.97 assign ( resid 58 and name HN ) ( resid 58 and name HG12 ) 3.65 1.85 1.85 assign ( resid 58 and name HN ) ( resid 58 and name HG11 ) 3.65 1.85 1.85 assign ( resid 58 and name HN ) ( resid 58 and name HD1* ) 4.01 2.21 2.21 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 2.86 1.06 1.06 assign ( resid 58 and name HA ) ( resid 58 and name HD1* ) 3.01 1.22 1.22 assign ( resid 58 and name HA ) ( resid 61 and name HB2 ) 2.80 1.00 1.00 assign ( resid 58 and name HA ) ( resid 61 and name HB1 ) 3.00 1.20 1.20 assign ( resid 58 and name HA ) ( resid 61 and name HD1* ) 4.13 2.34 2.34 assign ( resid 58 and name HA ) ( resid 61 and name HD2* ) 4.13 2.34 2.34 assign ( resid 58 and name HA ) ( resid 61 and name HD* ) 3.88 2.08 2.08 assign ( resid 58 and name HB ) ( resid 59 and name HN ) 2.93 1.14 1.14 assign ( resid 58 and name HG2* ) ( resid 59 and name HN ) 3.18 1.39 1.39 assign ( resid 58 and name HG2* ) ( resid 59 and name HA ) 4.16 2.37 2.37 assign ( resid 58 and name HG2* ) ( resid 59 and name HB* ) 4.26 2.46 2.46 assign ( resid 58 and name HG2* ) ( resid 72 and name HG1* ) 4.68 2.88 2.88 assign ( resid 58 and name HG1* ) ( resid 59 and name HN ) 3.98 2.18 2.18 assign ( resid 58 and name HD1* ) ( resid 59 and name HN ) 4.16 2.37 2.37 assign ( resid 58 and name HD1* ) ( resid 61 and name HB2 ) 4.07 2.27 2.27 assign ( resid 58 and name HD1* ) ( resid 61 and name HB1 ) 4.16 2.37 2.37 assign ( resid 58 and name HD1* ) ( resid 94 and name HA ) 4.16 2.37 2.37 assign ( resid 59 and name HN ) ( resid 59 and name HB* ) 2.61 0.82 0.82 assign ( resid 59 and name HN ) ( resid 60 and name HN ) 2.45 0.66 0.66 assign ( resid 59 and name HN ) ( resid 61 and name HN ) 3.04 1.25 1.25 assign ( resid 59 and name HA ) ( resid 62 and name HD1* ) 4.16 2.37 2.37 assign ( resid 59 and name HA ) ( resid 62 and name HD2* ) 4.16 2.37 2.37 assign ( resid 59 and name HA ) ( resid 62 and name HD* ) 3.95 2.15 2.15 assign ( resid 59 and name HB* ) ( resid 60 and name HN ) 2.84 1.05 1.05 assign ( resid 60 and name HN ) ( resid 60 and name HB2 ) 2.93 1.14 1.14 assign ( resid 60 and name HN ) ( resid 60 and name HB1 ) 2.35 0.55 0.55 assign ( resid 60 and name HN ) ( resid 60 and name HG2 ) 3.65 1.85 1.85 assign ( resid 60 and name HN ) ( resid 60 and name HG1 ) 3.65 1.85 1.85 assign ( resid 60 and name HN ) ( resid 60 and name HG* ) 3.40 1.61 1.61 assign ( resid 60 and name HN ) ( resid 61 and name HN ) 2.35 0.55 0.55 assign ( resid 60 and name HA ) ( resid 60 and name HB2 ) 2.42 0.63 0.63 assign ( resid 60 and name HA ) ( resid 60 and name HG2 ) 2.98 1.19 1.19 assign ( resid 60 and name HA ) ( resid 60 and name HG1 ) 2.98 1.19 1.19 assign ( resid 60 and name HA ) ( resid 60 and name HG* ) 2.85 1.06 1.06 assign ( resid 60 and name HA ) ( resid 63 and name HN ) 3.10 1.31 1.31 assign ( resid 60 and name HA ) ( resid 63 and name HD* ) 3.90 2.11 2.11 assign ( resid 60 and name HB2 ) ( resid 60 and name HG2 ) 2.28 0.49 0.49 assign ( resid 60 and name HB2 ) ( resid 60 and name HG1 ) 2.28 0.49 0.49 assign ( resid 60 and name HB2 ) ( resid 61 and name HN ) 3.18 1.39 1.39 assign ( resid 60 and name HB2 ) ( resid 113 and name HZ2 ) 3.65 1.85 1.85 assign ( resid 60 and name HB1 ) ( resid 61 and name HN ) 3.34 1.54 1.54 assign ( resid 60 and name HG2 ) ( resid 61 and name HA ) 3.65 1.85 1.85 assign ( resid 60 and name HG1 ) ( resid 61 and name HA ) 3.65 1.85 1.85 assign ( resid 60 and name HG* ) ( resid 63 and name HD* ) 4.52 2.73 2.73 assign ( resid 61 and name HN ) ( resid 61 and name HB2 ) 2.59 0.80 0.80 assign ( resid 61 and name HN ) ( resid 61 and name HB1 ) 2.92 1.12 1.12 assign ( resid 61 and name HN ) ( resid 61 and name HG ) 3.65 1.85 1.85 assign ( resid 61 and name HN ) ( resid 61 and name HD1* ) 4.16 2.37 2.37 assign ( resid 61 and name HN ) ( resid 61 and name HD2* ) 4.16 2.37 2.37 assign ( resid 61 and name HN ) ( resid 61 and name HD* ) 3.90 2.11 2.11 assign ( resid 61 and name HN ) ( resid 62 and name HN ) 2.66 0.86 0.86 assign ( resid 61 and name HN ) ( resid 63 and name HN ) 3.20 1.40 1.40 assign ( resid 61 and name HN ) ( resid 113 and name HH2 ) 3.65 1.85 1.85 assign ( resid 61 and name HA ) ( resid 61 and name HD1* ) 3.42 1.62 1.62 assign ( resid 61 and name HA ) ( resid 61 and name HD2* ) 3.42 1.62 1.62 assign ( resid 61 and name HA ) ( resid 61 and name HD* ) 3.11 1.32 1.32 assign ( resid 61 and name HA ) ( resid 64 and name HB* ) 3.10 1.30 1.30 assign ( resid 61 and name HA ) ( resid 64 and name HG* ) 4.09 2.29 2.29 assign ( resid 61 and name HA ) ( resid 113 and name HZ2 ) 3.65 1.85 1.85 assign ( resid 61 and name HA ) ( resid 113 and name HH2 ) 3.03 1.23 1.23 assign ( resid 61 and name HB2 ) ( resid 62 and name HN ) 2.56 0.77 0.77 assign ( resid 61 and name HB2 ) ( resid 113 and name HH2 ) 3.65 1.85 1.85 assign ( resid 61 and name HB1 ) ( resid 62 and name HN ) 2.31 0.52 0.52 assign ( resid 61 and name HB1 ) ( resid 113 and name HH2 ) 3.65 1.85 1.85 assign ( resid 61 and name HG ) ( resid 62 and name HN ) 3.65 1.85 1.85 assign ( resid 61 and name HD1* ) ( resid 64 and name HB2 ) 5.73 3.94 3.94 assign ( resid 61 and name HD1* ) ( resid 64 and name HB1 ) 5.73 3.94 3.94 assign ( resid 61 and name HD1* ) ( resid 64 and name HG2 ) 4.16 2.37 2.37 assign ( resid 61 and name HD1* ) ( resid 64 and name HG1 ) 4.16 2.37 2.37 assign ( resid 61 and name HD1* ) ( resid 113 and name HH2 ) 4.16 2.37 2.37 assign ( resid 61 and name HD2* ) ( resid 64 and name HB2 ) 5.73 3.94 3.94 assign ( resid 61 and name HD2* ) ( resid 64 and name HB1 ) 5.73 3.94 3.94 assign ( resid 61 and name HD2* ) ( resid 64 and name HG2 ) 4.16 2.37 2.37 assign ( resid 61 and name HD2* ) ( resid 64 and name HG1 ) 4.16 2.37 2.37 assign ( resid 61 and name HD2* ) ( resid 113 and name HH2 ) 4.16 2.37 2.37 assign ( resid 61 and name HD* ) ( resid 62 and name HN ) 4.19 2.39 2.39 assign ( resid 61 and name HD* ) ( resid 64 and name HB* ) 4.88 3.09 3.09 assign ( resid 61 and name HD* ) ( resid 64 and name HG* ) 4.00 2.21 2.21 assign ( resid 61 and name HD* ) ( resid 113 and name HD1 ) 4.54 2.75 2.75 assign ( resid 61 and name HD* ) ( resid 113 and name HE3 ) 4.95 3.15 3.15 assign ( resid 61 and name HD* ) ( resid 113 and name HZ3 ) 3.63 1.83 1.83 assign ( resid 61 and name HD* ) ( resid 113 and name HZ2 ) 4.25 2.45 2.45 assign ( resid 61 and name HD* ) ( resid 113 and name HH2 ) 3.96 2.17 2.17 assign ( resid 61 and name HD* ) ( resid 117 and name HN ) 4.76 2.97 2.97 assign ( resid 62 and name HN ) ( resid 62 and name HB2 ) 2.87 1.08 1.08 assign ( resid 62 and name HN ) ( resid 62 and name HB1 ) 2.87 1.08 1.08 assign ( resid 62 and name HN ) ( resid 62 and name HB* ) 2.62 0.83 0.83 assign ( resid 62 and name HN ) ( resid 62 and name HG ) 3.65 1.85 1.85 assign ( resid 62 and name HN ) ( resid 62 and name HD1* ) 4.16 2.37 2.37 assign ( resid 62 and name HN ) ( resid 62 and name HD2* ) 4.16 2.37 2.37 assign ( resid 62 and name HN ) ( resid 62 and name HD* ) 3.71 1.92 1.92 assign ( resid 62 and name HN ) ( resid 63 and name HN ) 2.58 0.78 0.78 assign ( resid 62 and name HA ) ( resid 62 and name HD1* ) 4.16 2.37 2.37 assign ( resid 62 and name HA ) ( resid 62 and name HD2* ) 4.16 2.37 2.37 assign ( resid 62 and name HB2 ) ( resid 63 and name HN ) 2.81 1.02 1.02 assign ( resid 62 and name HB2 ) ( resid 70 and name HB2 ) 4.52 2.73 2.73 assign ( resid 62 and name HB2 ) ( resid 70 and name HB1 ) 4.52 2.73 2.73 assign ( resid 62 and name HB2 ) ( resid 72 and name HG2* ) 4.16 2.37 2.37 assign ( resid 62 and name HB1 ) ( resid 63 and name HN ) 2.81 1.02 1.02 assign ( resid 62 and name HB1 ) ( resid 70 and name HB2 ) 4.52 2.73 2.73 assign ( resid 62 and name HB1 ) ( resid 70 and name HB1 ) 4.52 2.73 2.73 assign ( resid 62 and name HB1 ) ( resid 72 and name HG2* ) 4.16 2.37 2.37 assign ( resid 62 and name HB* ) ( resid 63 and name HN ) 2.68 0.89 0.89 assign ( resid 62 and name HB* ) ( resid 70 and name HB* ) 3.83 2.03 2.03 assign ( resid 62 and name HB* ) ( resid 70 and name HD1 ) 4.09 2.29 2.29 assign ( resid 62 and name HD1* ) ( resid 70 and name HB2 ) 5.73 3.94 3.94 assign ( resid 62 and name HD1* ) ( resid 70 and name HB1 ) 5.73 3.94 3.94 assign ( resid 62 and name HD2* ) ( resid 70 and name HB2 ) 5.73 3.94 3.94 assign ( resid 62 and name HD2* ) ( resid 70 and name HB1 ) 5.73 3.94 3.94 assign ( resid 62 and name HD* ) ( resid 63 and name HN ) 4.95 3.15 3.15 assign ( resid 62 and name HD* ) ( resid 63 and name HG* ) 4.47 2.68 2.68 assign ( resid 62 and name HD* ) ( resid 70 and name HB* ) 4.92 3.13 3.13 assign ( resid 62 and name HD* ) ( resid 70 and name HD1 ) 4.95 3.15 3.15 assign ( resid 62 and name HD* ) ( resid 70 and name HE3 ) 4.95 3.15 3.15 assign ( resid 62 and name HD* ) ( resid 70 and name HZ3 ) 4.95 3.15 3.15 assign ( resid 62 and name HD* ) ( resid 71 and name HA ) 4.95 3.15 3.15 assign ( resid 62 and name HD* ) ( resid 72 and name HN ) 4.95 3.15 3.15 assign ( resid 62 and name HD* ) ( resid 72 and name HG1* ) 5.24 3.45 3.45 assign ( resid 62 and name HD* ) ( resid 72 and name HG2* ) 5.12 3.32 3.32 assign ( resid 63 and name HN ) ( resid 63 and name HB* ) 2.60 0.80 0.80 assign ( resid 63 and name HN ) ( resid 63 and name HG2 ) 2.87 1.08 1.08 assign ( resid 63 and name HN ) ( resid 63 and name HG1 ) 2.87 1.08 1.08 assign ( resid 63 and name HN ) ( resid 63 and name HD2 ) 3.65 1.85 1.85 assign ( resid 63 and name HN ) ( resid 63 and name HD1 ) 3.65 1.85 1.85 assign ( resid 63 and name HN ) ( resid 64 and name HN ) 2.45 0.66 0.66 assign ( resid 63 and name HA ) ( resid 63 and name HG* ) 2.91 1.11 1.11 assign ( resid 63 and name HA ) ( resid 63 and name HD* ) 4.09 2.29 2.29 assign ( resid 63 and name HG* ) ( resid 64 and name HN ) 4.09 2.29 2.29 assign ( resid 64 and name HN ) ( resid 64 and name HB2 ) 2.61 0.81 0.81 assign ( resid 64 and name HN ) ( resid 64 and name HB1 ) 2.61 0.81 0.81 assign ( resid 64 and name HN ) ( resid 64 and name HB* ) 2.43 0.63 0.63 assign ( resid 64 and name HN ) ( resid 64 and name HG* ) 3.13 1.33 1.33 assign ( resid 64 and name HN ) ( resid 65 and name HN ) 2.41 0.61 0.61 assign ( resid 64 and name HN ) ( resid 65 and name HD1 ) 3.65 1.85 1.85 assign ( resid 64 and name HN ) ( resid 65 and name HD2 ) 3.65 1.85 1.85 assign ( resid 64 and name HB2 ) ( resid 65 and name HN ) 3.45 1.65 1.65 assign ( resid 64 and name HB1 ) ( resid 65 and name HN ) 3.45 1.65 1.65 assign ( resid 64 and name HB* ) ( resid 65 and name HN ) 3.12 1.32 1.32 assign ( resid 64 and name HB* ) ( resid 113 and name HH2 ) 4.09 2.29 2.29 assign ( resid 64 and name HG* ) ( resid 113 and name HZ2 ) 3.81 2.01 2.01 assign ( resid 64 and name HG* ) ( resid 113 and name HH2 ) 4.09 2.29 2.29 assign ( resid 65 and name HN ) ( resid 65 and name HB2 ) 2.92 1.12 1.12 assign ( resid 65 and name HN ) ( resid 65 and name HB1 ) 2.93 1.14 1.14 assign ( resid 65 and name HN ) ( resid 65 and name HD1 ) 3.48 1.68 1.68 assign ( resid 65 and name HN ) ( resid 66 and name HD2 ) 3.65 1.85 1.85 assign ( resid 65 and name HN ) ( resid 66 and name HD1 ) 3.65 1.85 1.85 assign ( resid 65 and name HA ) ( resid 65 and name HD1 ) 3.62 1.82 1.82 assign ( resid 65 and name HA ) ( resid 65 and name HD2 ) 3.65 1.85 1.85 assign ( resid 65 and name HA ) ( resid 67 and name HN ) 3.24 1.45 1.45 assign ( resid 65 and name HB2 ) ( resid 67 and name HN ) 3.29 1.50 1.50 assign ( resid 65 and name HB2 ) ( resid 68 and name HD1 ) 3.65 1.85 1.85 assign ( resid 65 and name HB2 ) ( resid 68 and name HE1 ) 3.32 1.53 1.53 assign ( resid 65 and name HB2 ) ( resid 70 and name HE1 ) 2.87 1.08 1.08 assign ( resid 65 and name HB2 ) ( resid 70 and name HZ2 ) 3.65 1.85 1.85 assign ( resid 65 and name HB1 ) ( resid 68 and name HE1 ) 3.31 1.51 1.51 assign ( resid 65 and name HB1 ) ( resid 70 and name HD1 ) 3.65 1.85 1.85 assign ( resid 65 and name HB1 ) ( resid 70 and name HE1 ) 2.97 1.17 1.17 assign ( resid 65 and name HB1 ) ( resid 70 and name HZ2 ) 3.65 1.85 1.85 assign ( resid 65 and name HB1 ) ( resid 70 and name HH2 ) 3.65 1.85 1.85 assign ( resid 65 and name HZ ) ( resid 116 and name HD2* ) 3.17 1.37 1.37 assign ( resid 65 and name HZ ) ( resid 120 and name HG* ) 4.09 2.29 2.29 assign ( resid 65 and name HZ ) ( resid 121 and name HA ) 3.51 1.71 1.71 assign ( resid 65 and name HZ ) ( resid 121 and name HB* ) 4.09 2.29 2.29 assign ( resid 65 and name HZ ) ( resid 121 and name HG2 ) 3.65 1.85 1.85 assign ( resid 65 and name HZ ) ( resid 121 and name HG1 ) 3.65 1.85 1.85 assign ( resid 65 and name HZ ) ( resid 121 and name HG* ) 3.52 1.73 1.73 assign ( resid 65 and name HZ ) ( resid 124 and name HG1* ) 3.62 1.82 1.82 assign ( resid 65 and name HZ ) ( resid 124 and name HG2* ) 3.62 1.82 1.82 assign ( resid 67 and name HN ) ( resid 67 and name HB2 ) 2.76 0.97 0.97 assign ( resid 67 and name HN ) ( resid 67 and name HB1 ) 2.86 1.06 1.06 assign ( resid 67 and name HN ) ( resid 67 and name HG2 ) 3.65 1.85 1.85 assign ( resid 67 and name HN ) ( resid 67 and name HG1 ) 3.65 1.85 1.85 assign ( resid 67 and name HN ) ( resid 67 and name HG* ) 3.56 1.77 1.77 assign ( resid 67 and name HN ) ( resid 68 and name HN ) 2.59 0.80 0.80 assign ( resid 67 and name HA ) ( resid 68 and name HN ) 2.72 0.92 0.92 assign ( resid 67 and name HB2 ) ( resid 67 and name HE21 ) 3.65 1.85 1.85 assign ( resid 67 and name HB2 ) ( resid 67 and name HE22 ) 3.65 1.85 1.85 assign ( resid 67 and name HB2 ) ( resid 68 and name HN ) 3.01 1.22 1.22 assign ( resid 67 and name HB2 ) ( resid 68 and name HD1 ) 3.65 1.85 1.85 assign ( resid 67 and name HB1 ) ( resid 67 and name HE21 ) 3.65 1.85 1.85 assign ( resid 67 and name HB1 ) ( resid 67 and name HE22 ) 3.65 1.85 1.85 assign ( resid 67 and name HB1 ) ( resid 68 and name HN ) 2.90 1.11 1.11 assign ( resid 67 and name HB1 ) ( resid 68 and name HD1 ) 3.65 1.85 1.85 assign ( resid 67 and name HG* ) ( resid 68 and name HN ) 3.45 1.66 1.66 assign ( resid 68 and name HN ) ( resid 68 and name HB2 ) 2.81 1.02 1.02 assign ( resid 68 and name HN ) ( resid 68 and name HB1 ) 2.81 1.02 1.02 assign ( resid 68 and name HN ) ( resid 68 and name HB* ) 2.71 0.92 0.92 assign ( resid 68 and name HN ) ( resid 68 and name HE1 ) 3.65 1.85 1.85 assign ( resid 68 and name HN ) ( resid 68 and name HZ ) 3.65 1.85 1.85 assign ( resid 68 and name HN ) ( resid 69 and name HN ) 3.43 1.64 1.64 assign ( resid 68 and name HN ) ( resid 69 and name HA ) 3.62 1.82 1.82 assign ( resid 68 and name HA ) ( resid 68 and name HD1 ) 3.65 1.85 1.85 assign ( resid 68 and name HA ) ( resid 69 and name HB2 ) 3.65 1.85 1.85 assign ( resid 68 and name HA ) ( resid 69 and name HB1 ) 3.65 1.85 1.85 assign ( resid 68 and name HA ) ( resid 69 and name HB* ) 3.53 1.73 1.73 assign ( resid 68 and name HB2 ) ( resid 69 and name HN ) 3.29 1.50 1.50 assign ( resid 68 and name HB1 ) ( resid 69 and name HN ) 3.29 1.50 1.50 assign ( resid 68 and name HB* ) ( resid 70 and name HN ) 4.09 2.29 2.29 assign ( resid 68 and name HD1 ) ( resid 70 and name HE1 ) 3.65 1.85 1.85 assign ( resid 68 and name HD1 ) ( resid 99 and name HG2* ) 3.87 2.07 2.07 assign ( resid 68 and name HE1 ) ( resid 70 and name HH2 ) 2.75 0.95 0.95 assign ( resid 68 and name HZ ) ( resid 99 and name HB ) 3.65 1.85 1.85 assign ( resid 68 and name HZ ) ( resid 99 and name HG2* ) 4.16 2.37 2.37 assign ( resid 68 and name HZ ) ( resid 124 and name HB ) 3.51 1.71 1.71 assign ( resid 68 and name HZ ) ( resid 124 and name HG2* ) 3.56 1.76 1.76 assign ( resid 68 and name HD2 ) ( resid 70 and name HE1 ) 3.65 1.85 1.85 assign ( resid 69 and name HN ) ( resid 69 and name HB2 ) 2.87 1.08 1.08 assign ( resid 69 and name HN ) ( resid 69 and name HB1 ) 2.87 1.08 1.08 assign ( resid 69 and name HN ) ( resid 69 and name HB* ) 2.79 0.99 0.99 assign ( resid 69 and name HN ) ( resid 70 and name HN ) 3.43 1.64 1.64 assign ( resid 69 and name HA ) ( resid 70 and name HN ) 2.45 0.66 0.66 assign ( resid 70 and name HN ) ( resid 70 and name HB2 ) 2.75 0.95 0.95 assign ( resid 70 and name HN ) ( resid 70 and name HB1 ) 2.75 0.95 0.95 assign ( resid 70 and name HN ) ( resid 70 and name HB* ) 2.56 0.76 0.76 assign ( resid 70 and name HN ) ( resid 70 and name HD1 ) 2.69 0.89 0.89 assign ( resid 70 and name HN ) ( resid 70 and name HE1 ) 3.23 1.43 1.43 assign ( resid 70 and name HN ) ( resid 71 and name HN ) 3.26 1.46 1.46 assign ( resid 70 and name HA ) ( resid 70 and name HD1 ) 3.65 1.85 1.85 assign ( resid 70 and name HA ) ( resid 70 and name HE3 ) 3.65 1.85 1.85 assign ( resid 70 and name HA ) ( resid 71 and name HN ) 2.27 0.47 0.47 assign ( resid 70 and name HA ) ( resid 71 and name HA ) 3.49 1.70 1.70 assign ( resid 70 and name HB2 ) ( resid 71 and name HN ) 2.83 1.03 1.03 assign ( resid 70 and name HB1 ) ( resid 71 and name HN ) 2.83 1.03 1.03 assign ( resid 70 and name HB* ) ( resid 70 and name HZ3 ) 3.86 2.06 2.06 assign ( resid 70 and name HB* ) ( resid 72 and name HG2* ) 4.60 2.81 2.81 assign ( resid 70 and name HE3 ) ( resid 71 and name HN ) 3.40 1.60 1.60 assign ( resid 70 and name HZ3 ) ( resid 97 and name HG1* ) 3.31 1.51 1.51 assign ( resid 70 and name HZ3 ) ( resid 98 and name HN ) 3.28 1.48 1.48 assign ( resid 70 and name HZ3 ) ( resid 99 and name HG2* ) 3.39 1.59 1.59 assign ( resid 70 and name HZ2 ) ( resid 124 and name HG1* ) 4.05 2.26 2.26 assign ( resid 70 and name HZ2 ) ( resid 124 and name HG2* ) 4.16 2.37 2.37 assign ( resid 70 and name HH2 ) ( resid 97 and name HG1* ) 3.48 1.68 1.68 assign ( resid 70 and name HH2 ) ( resid 99 and name HG2* ) 3.80 2.01 2.01 assign ( resid 70 and name HH2 ) ( resid 124 and name HG1* ) 3.68 1.89 1.89 assign ( resid 70 and name HH2 ) ( resid 124 and name HG2* ) 4.16 2.37 2.37 assign ( resid 71 and name HN ) ( resid 71 and name HB* ) 2.73 0.93 0.93 assign ( resid 71 and name HN ) ( resid 71 and name HG* ) 3.11 1.32 1.32 assign ( resid 71 and name HN ) ( resid 71 and name HE2* ) 4.08 2.29 2.29 assign ( resid 71 and name HA ) ( resid 71 and name HE21 ) 3.65 1.85 1.85 assign ( resid 71 and name HA ) ( resid 71 and name HE22 ) 3.65 1.85 1.85 assign ( resid 71 and name HA ) ( resid 72 and name HN ) 2.30 0.50 0.50 assign ( resid 71 and name HB2 ) ( resid 72 and name HN ) 3.38 1.59 1.59 assign ( resid 71 and name HB1 ) ( resid 72 and name HN ) 3.38 1.59 1.59 assign ( resid 71 and name HB* ) ( resid 72 and name HN ) 3.04 1.25 1.25 assign ( resid 71 and name HG* ) ( resid 72 and name HN ) 3.25 1.46 1.46 assign ( resid 72 and name HN ) ( resid 72 and name HB ) 2.55 0.75 0.75 assign ( resid 72 and name HN ) ( resid 72 and name HG2* ) 2.86 1.06 1.06 assign ( resid 72 and name HN ) ( resid 73 and name HN ) 3.23 1.43 1.43 assign ( resid 72 and name HA ) ( resid 73 and name HN ) 2.19 0.40 0.40 assign ( resid 72 and name HA ) ( resid 73 and name HA ) 3.65 1.85 1.85 assign ( resid 72 and name HB ) ( resid 73 and name HN ) 3.00 1.20 1.20 assign ( resid 72 and name HG1* ) ( resid 73 and name HN ) 2.95 1.16 1.16 assign ( resid 72 and name HG1* ) ( resid 74 and name HG1* ) 4.58 2.79 2.79 assign ( resid 72 and name HG2* ) ( resid 73 and name HN ) 4.16 2.37 2.37 assign ( resid 73 and name HN ) ( resid 74 and name HN ) 3.29 1.50 1.50 assign ( resid 73 and name HA ) ( resid 74 and name HN ) 2.22 0.43 0.43 assign ( resid 73 and name HA ) ( resid 74 and name HG1* ) 3.70 1.90 1.90 assign ( resid 73 and name HB* ) ( resid 74 and name HN ) 2.77 0.97 0.97 assign ( resid 73 and name HB* ) ( resid 74 and name HA ) 4.16 2.37 2.37 assign ( resid 74 and name HN ) ( resid 74 and name HG1* ) 3.12 1.33 1.33 assign ( resid 74 and name HN ) ( resid 74 and name HG2* ) 2.64 0.85 0.85 assign ( resid 74 and name HA ) ( resid 75 and name HN ) 2.41 0.61 0.61 assign ( resid 74 and name HA ) ( resid 75 and name HB* ) 3.94 2.15 2.15 assign ( resid 74 and name HB ) ( resid 75 and name HN ) 2.90 1.11 1.11 assign ( resid 74 and name HG1* ) ( resid 75 and name HN ) 3.88 2.09 2.09 assign ( resid 74 and name HG1* ) ( resid 75 and name HB* ) 4.68 2.88 2.88 assign ( resid 74 and name HG2* ) ( resid 75 and name HN ) 3.14 1.34 1.34 assign ( resid 74 and name HG2* ) ( resid 75 and name HA ) 4.16 2.37 2.37 assign ( resid 75 and name HN ) ( resid 76 and name HN ) 3.51 1.71 1.71 assign ( resid 75 and name HA ) ( resid 76 and name HN ) 2.55 0.75 0.75 assign ( resid 75 and name HB* ) ( resid 79 and name HB* ) 3.73 1.94 1.94 assign ( resid 75 and name HB* ) ( resid 79 and name HG* ) 4.60 2.81 2.81 assign ( resid 75 and name HB* ) ( resid 80 and name HN ) 3.12 1.33 1.33 assign ( resid 75 and name HB* ) ( resid 80 and name HA ) 3.29 1.50 1.50 assign ( resid 75 and name HB* ) ( resid 83 and name HG2* ) 4.68 2.88 2.88 assign ( resid 75 and name HB* ) ( resid 83 and name HD1* ) 3.78 1.98 1.98 assign ( resid 76 and name HN ) ( resid 77 and name HN ) 3.51 1.71 1.71 assign ( resid 76 and name HB* ) ( resid 77 and name HD1* ) 4.60 2.81 2.81 assign ( resid 77 and name HN ) ( resid 77 and name HG ) 3.65 1.85 1.85 assign ( resid 77 and name HN ) ( resid 77 and name HD1* ) 3.08 1.28 1.28 assign ( resid 77 and name HN ) ( resid 78 and name HN ) 2.56 0.77 0.77 assign ( resid 77 and name HA ) ( resid 77 and name HD1* ) 3.57 1.78 1.78 assign ( resid 77 and name HA ) ( resid 77 and name HD2* ) 3.23 1.44 1.44 assign ( resid 77 and name HB2 ) ( resid 78 and name HN ) 3.17 1.37 1.37 assign ( resid 77 and name HB1 ) ( resid 78 and name HN ) 3.17 1.37 1.37 assign ( resid 77 and name HB* ) ( resid 78 and name HN ) 2.94 1.14 1.14 assign ( resid 77 and name HB* ) ( resid 78 and name HB2 ) 4.09 2.29 2.29 assign ( resid 77 and name HG ) ( resid 78 and name HN ) 3.65 1.85 1.85 assign ( resid 77 and name HD1* ) ( resid 78 and name HN ) 4.16 2.37 2.37 assign ( resid 77 and name HD2* ) ( resid 78 and name HN ) 4.16 2.37 2.37 assign ( resid 78 and name HN ) ( resid 78 and name HB2 ) 2.56 0.77 0.77 assign ( resid 78 and name HN ) ( resid 78 and name HB1 ) 2.36 0.57 0.57 assign ( resid 78 and name HN ) ( resid 78 and name HG2 ) 3.54 1.74 1.74 assign ( resid 78 and name HN ) ( resid 78 and name HG1 ) 3.54 1.74 1.74 assign ( resid 78 and name HN ) ( resid 79 and name HN ) 2.55 0.75 0.75 assign ( resid 78 and name HA ) ( resid 78 and name HB2 ) 2.35 0.55 0.55 assign ( resid 78 and name HA ) ( resid 78 and name HB1 ) 2.42 0.63 0.63 assign ( resid 78 and name HB2 ) ( resid 79 and name HN ) 2.78 0.98 0.98 assign ( resid 78 and name HB1 ) ( resid 79 and name HN ) 2.90 1.11 1.11 assign ( resid 78 and name HG* ) ( resid 79 and name HN ) 4.09 2.29 2.29 assign ( resid 79 and name HN ) ( resid 79 and name HB* ) 2.72 0.92 0.92 assign ( resid 79 and name HN ) ( resid 79 and name HG2 ) 3.52 1.73 1.73 assign ( resid 79 and name HN ) ( resid 79 and name HG1 ) 3.52 1.73 1.73 assign ( resid 79 and name HN ) ( resid 79 and name HG* ) 3.46 1.66 1.66 assign ( resid 79 and name HN ) ( resid 80 and name HN ) 2.48 0.69 0.69 assign ( resid 79 and name HA ) ( resid 79 and name HE2* ) 4.08 2.29 2.29 assign ( resid 79 and name HA ) ( resid 82 and name HN ) 2.90 1.11 1.11 assign ( resid 79 and name HB2 ) ( resid 79 and name HE21 ) 3.65 1.85 1.85 assign ( 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2.27 0.47 0.47 assign ( resid 81 and name HN ) ( resid 81 and name HB1 ) 2.42 0.63 0.63 assign ( resid 81 and name HN ) ( resid 81 and name HG2 ) 3.65 1.85 1.85 assign ( resid 81 and name HN ) ( resid 81 and name HG1 ) 3.65 1.85 1.85 assign ( resid 81 and name HN ) ( resid 82 and name HN ) 2.41 0.61 0.61 assign ( resid 81 and name HN ) ( resid 82 and name HB* ) 3.94 2.15 2.15 assign ( resid 81 and name HA ) ( resid 81 and name HB2 ) 2.30 0.50 0.50 assign ( resid 81 and name HA ) ( resid 81 and name HB1 ) 2.39 0.60 0.60 assign ( resid 81 and name HB1 ) ( resid 82 and name HN ) 2.28 0.49 0.49 assign ( resid 81 and name HG* ) ( resid 82 and name HN ) 3.70 1.90 1.90 assign ( resid 82 and name HN ) ( resid 82 and name HB* ) 2.61 0.82 0.82 assign ( resid 82 and name HN ) ( resid 83 and name HN ) 2.45 0.66 0.66 assign ( resid 82 and name HN ) ( resid 84 and name HN ) 3.17 1.37 1.37 assign ( resid 82 and name HA ) ( resid 85 and name HN ) 3.00 1.20 1.20 assign ( resid 82 and name HB* ) ( resid 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2.73 0.93 0.93 assign ( resid 87 and name HN ) ( resid 87 and name HD2 ) 3.32 1.53 1.53 assign ( resid 87 and name HN ) ( resid 88 and name HN ) 2.36 0.57 0.57 assign ( resid 87 and name HN ) ( resid 88 and name HD21 ) 3.65 1.85 1.85 assign ( resid 87 and name HN ) ( resid 88 and name HD22 ) 3.65 1.85 1.85 assign ( resid 87 and name HN ) ( resid 88 and name HD2* ) 3.48 1.68 1.68 assign ( resid 87 and name HN ) ( resid 89 and name HN ) 2.92 1.12 1.12 assign ( resid 87 and name HA ) ( resid 87 and name HD1 ) 3.65 1.85 1.85 assign ( resid 87 and name HA ) ( resid 87 and name HD2 ) 3.65 1.85 1.85 assign ( resid 87 and name HA ) ( resid 88 and name HN ) 2.72 0.92 0.92 assign ( resid 87 and name HB2 ) ( resid 89 and name HG1* ) 5.10 3.31 3.31 assign ( resid 87 and name HB2 ) ( resid 89 and name HG2* ) 5.10 3.31 3.31 assign ( resid 87 and name HB2 ) ( resid 96 and name HD1* ) 4.76 2.96 2.96 assign ( resid 87 and name HB2 ) ( resid 96 and name HD2* ) 4.76 2.96 2.96 assign ( resid 87 and name 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3.37 1.57 1.57 assign ( resid 94 and name HA ) ( resid 95 and name HN ) 2.25 0.46 0.46 assign ( resid 94 and name HA ) ( resid 95 and name HB ) 3.65 1.85 1.85 assign ( resid 94 and name HA ) ( resid 107 and name HN ) 2.97 1.17 1.17 assign ( resid 94 and name HB* ) ( resid 95 and name HN ) 2.74 0.94 0.94 assign ( resid 94 and name HB* ) ( resid 95 and name HB ) 3.73 1.93 1.93 assign ( resid 94 and name HB* ) ( resid 96 and name HD* ) 5.46 3.67 3.67 assign ( resid 94 and name HB* ) ( resid 106 and name HB* ) 4.68 2.88 2.88 assign ( resid 94 and name HB* ) ( resid 107 and name HN ) 4.16 2.37 2.37 assign ( resid 94 and name HB* ) ( resid 107 and name HA ) 4.04 2.24 2.24 assign ( resid 95 and name HN ) ( resid 95 and name HB ) 2.47 0.67 0.67 assign ( resid 95 and name HN ) ( resid 95 and name HG2* ) 3.31 1.51 1.51 assign ( resid 95 and name HN ) ( resid 96 and name HN ) 3.38 1.59 1.59 assign ( resid 95 and name HN ) ( resid 96 and name HD1* ) 4.16 2.37 2.37 assign ( resid 95 and name HN ) ( 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( resid 95 and name HG2* ) ( resid 96 and name HN ) 2.80 1.00 1.00 assign ( resid 95 and name HG2* ) ( resid 107 and name HG ) 4.16 2.37 2.37 assign ( resid 96 and name HN ) ( resid 96 and name HB2 ) 2.44 0.64 0.64 assign ( resid 96 and name HN ) ( resid 96 and name HB1 ) 2.92 1.12 1.12 assign ( resid 96 and name HN ) ( resid 96 and name HG ) 3.14 1.34 1.34 assign ( resid 96 and name HN ) ( resid 96 and name HD1* ) 3.88 2.09 2.09 assign ( resid 96 and name HN ) ( resid 96 and name HD2* ) 3.88 2.09 2.09 assign ( resid 96 and name HN ) ( resid 96 and name HD* ) 3.28 1.48 1.48 assign ( resid 96 and name HN ) ( resid 97 and name HN ) 3.21 1.42 1.42 assign ( resid 96 and name HA ) ( resid 96 and name HD1* ) 3.11 1.31 1.31 assign ( resid 96 and name HA ) ( resid 96 and name HD2* ) 3.11 1.31 1.31 assign ( resid 96 and name HA ) ( resid 96 and name HD* ) 2.93 1.14 1.14 assign ( resid 96 and name HA ) ( resid 97 and name HN ) 2.18 0.38 0.38 assign ( resid 96 and name HA ) ( resid 106 and name 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and name HA* ) 3.36 1.56 1.56 assign ( resid 97 and name HN ) ( resid 106 and name HA ) 2.62 0.83 0.83 assign ( resid 97 and name HN ) ( resid 106 and name HB* ) 4.16 2.37 2.37 assign ( resid 97 and name HA ) ( resid 98 and name HN ) 2.21 0.41 0.41 assign ( resid 97 and name HA ) ( resid 98 and name HD1 ) 3.65 1.85 1.85 assign ( resid 97 and name HB ) ( resid 98 and name HN ) 3.45 1.65 1.65 assign ( resid 97 and name HB ) ( resid 105 and name HN ) 3.15 1.36 1.36 assign ( resid 97 and name HB ) ( resid 123 and name HD1* ) 4.16 2.37 2.37 assign ( resid 97 and name HG1* ) ( resid 98 and name HN ) 3.06 1.27 1.27 assign ( resid 97 and name HG1* ) ( resid 99 and name HG2* ) 4.26 2.46 2.46 assign ( resid 97 and name HG1* ) ( resid 105 and name HN ) 3.90 2.10 2.10 assign ( resid 97 and name HG2* ) ( resid 98 and name HN ) 3.79 1.99 1.99 assign ( resid 97 and name HG2* ) ( resid 105 and name HA* ) 4.59 2.79 2.79 assign ( resid 97 and name HG2* ) ( resid 106 and name HA ) 3.82 2.03 2.03 assign ( 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name HN ) 3.14 1.34 1.34 assign ( resid 100 and name HA ) ( resid 101 and name HN ) 2.38 0.58 0.58 assign ( resid 100 and name HB2 ) ( resid 101 and name HN ) 3.18 1.39 1.39 assign ( resid 100 and name HB2 ) ( resid 102 and name HN ) 3.06 1.26 1.26 assign ( resid 100 and name HB1 ) ( resid 101 and name HN ) 3.18 1.39 1.39 assign ( resid 100 and name HB1 ) ( resid 102 and name HN ) 3.06 1.26 1.26 assign ( resid 100 and name HB* ) ( resid 101 and name HN ) 3.08 1.29 1.29 assign ( resid 100 and name HB* ) ( resid 102 and name HN ) 2.92 1.13 1.13 assign ( resid 100 and name HB* ) ( resid 102 and name HD* ) 4.52 2.73 2.73 assign ( resid 101 and name HN ) ( resid 102 and name HN ) 2.45 0.66 0.66 assign ( resid 101 and name HA2 ) ( resid 102 and name HN ) 2.72 0.92 0.92 assign ( resid 101 and name HA1 ) ( resid 102 and name HN ) 2.72 0.92 0.92 assign ( resid 102 and name HN ) ( resid 102 and name HB2 ) 2.76 0.97 0.97 assign ( resid 102 and name HN ) ( resid 102 and name HB1 ) 2.76 0.97 0.97 assign ( resid 102 and name HN ) ( resid 102 and name HB* ) 2.60 0.81 0.81 assign ( resid 102 and name HN ) ( resid 102 and name HG* ) 3.16 1.36 1.36 assign ( resid 102 and name HA ) ( resid 102 and name HD2 ) 3.65 1.85 1.85 assign ( resid 102 and name HA ) ( resid 102 and name HD1 ) 3.65 1.85 1.85 assign ( resid 102 and name HA ) ( resid 102 and name HE* ) 4.09 2.29 2.29 assign ( resid 102 and name HA ) ( resid 103 and name HN ) 2.45 0.66 0.66 assign ( resid 102 and name HB2 ) ( resid 102 and name HD2 ) 2.93 1.14 1.14 assign ( resid 102 and name HB2 ) ( resid 102 and name HD1 ) 2.93 1.14 1.14 assign ( resid 102 and name HB2 ) ( resid 102 and name HE2 ) 3.65 1.85 1.85 assign ( resid 102 and name HB2 ) ( resid 102 and name HE1 ) 3.65 1.85 1.85 assign ( resid 102 and name HB1 ) ( resid 102 and name HD2 ) 2.93 1.14 1.14 assign ( resid 102 and name HB1 ) ( resid 102 and name HD1 ) 2.93 1.14 1.14 assign ( resid 102 and name HB1 ) ( resid 102 and name HE2 ) 3.65 1.85 1.85 assign ( resid 102 and name HB1 ) ( resid 102 and name HE1 ) 3.65 1.85 1.85 assign ( resid 102 and name HB* ) ( resid 102 and name HD* ) 2.43 0.63 0.63 assign ( resid 102 and name HB* ) ( resid 102 and name HE* ) 3.48 1.68 1.68 assign ( resid 102 and name HB* ) ( resid 103 and name HN ) 2.82 1.02 1.02 assign ( resid 102 and name HG* ) ( resid 103 and name HN ) 3.95 2.15 2.15 assign ( resid 103 and name HN ) ( resid 103 and name HB* ) 2.77 0.98 0.98 assign ( resid 103 and name HN ) ( resid 103 and name HG ) 3.65 1.85 1.85 assign ( resid 103 and name HN ) ( resid 103 and name HD1* ) 4.01 2.21 2.21 assign ( resid 103 and name HN ) ( resid 103 and name HD2* ) 3.94 2.15 2.15 assign ( resid 103 and name HA ) ( resid 103 and name HD1* ) 3.01 1.22 1.22 assign ( resid 103 and name HA ) ( resid 103 and name HD2* ) 3.79 1.99 1.99 assign ( resid 103 and name HA ) ( resid 104 and name HN ) 2.31 0.52 0.52 assign ( resid 103 and name HA ) ( resid 105 and name HN ) 2.90 1.11 1.11 assign ( resid 103 and name HB* ) ( 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resid 59 and name N ) -4.204 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 60 and name HN ) ( resid 60 and name N ) -2.402 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 61 and name HN ) ( resid 61 and name N ) -5.974 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 63 and name HN ) ( resid 63 and name N ) -0.264 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 64 and name HN ) ( resid 64 and name N ) -3.258 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name HN ) ( resid 65 and name N ) -7.572 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name HN ) ( resid 67 and name N ) 3.032 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name HN ) ( resid 68 and name N ) 4.072 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name HN ) ( resid 69 and name N ) 2.172 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 70 and name HN ) ( resid 70 and name N ) -2.676 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 71 and name HN ) ( resid 71 and name N ) 3.288 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 72 and name HN ) ( resid 72 and name N ) 3.534 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name HN ) ( resid 73 and name N ) -1.37 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 74 and name HN ) ( resid 74 and name N ) 1.784 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 75 and name HN ) ( resid 75 and name N ) 4.598 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 78 and name HN ) ( resid 78 and name N ) 1.448 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 79 and name HN ) ( resid 79 and name N ) 2.2 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 80 and name HN ) ( resid 80 and name N ) -2.15 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 81 and name HN ) ( resid 81 and name N ) -5.842 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 82 and name HN ) ( resid 82 and name N ) -3.64 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 83 and name HN ) ( resid 83 and name N ) -0.836 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 84 and name HN ) ( resid 84 and name N ) -4.46 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 85 and name HN ) ( resid 85 and name N ) -5.56 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 86 and name HN ) ( resid 86 and name N ) -0.908 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name HN ) ( resid 87 and name N ) -2.746 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 88 and name HN ) ( resid 88 and name N ) -5.498 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name HN ) ( resid 89 and name N ) -2.554 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name HN ) ( resid 95 and name N ) -0.53 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name HN ) ( resid 96 and name N ) -3.204 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name HN ) ( resid 97 and name N ) 2.544 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 99 and name HN ) ( resid 99 and name N ) 3.388 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 100 and name HN ) ( resid 100 and name N ) 3.138 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 101 and name HN ) ( resid 101 and name N ) 2.254 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 103 and name HN ) ( resid 103 and name N ) 0.094 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 104 and name HN ) ( resid 104 and name N ) -1.392 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 105 and name HN ) ( resid 105 and name N ) -1.05 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 106 and name HN ) ( resid 106 and name N ) -0.082 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 107 and name HN ) ( resid 107 and name N ) 0.344 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 114 and name HN ) ( resid 114 and name N ) 0.332 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 115 and name HN ) ( resid 115 and name N ) -2.102 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 116 and name HN ) ( resid 116 and name N ) -2.856 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 117 and name HN ) ( resid 117 and name N ) 3.67 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 118 and name HN ) ( resid 118 and name N ) 1.142 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 119 and name HN ) ( resid 119 and name N ) 0.754 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 120 and name HN ) ( resid 120 and name N ) 1.95 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 121 and name HN ) ( resid 121 and name N ) 4.312 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 122 and name HN ) ( resid 122 and name N ) 1.264 0.6 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 123 and name HN ) ( resid 123 and name N ) 0.856 0.6 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 11.426 3.523 12.315 2 H1 MET 1 1HT MET 1 13.599 3.653 13.347 3 H2 MET 1 2HT MET 1 13.325 2.123 12.677 4 H3 MET 1 3HT MET 1 13.221 2.342 14.354 5 HB2 MET 1 2HB MET 1 11.013 1.348 14.373 6 HB3 MET 1 1HB MET 1 9.696 2.125 13.503 7 HG2 MET 1 2HG MET 1 10.653 1.342 11.386 8 HG3 MET 1 1HG MET 1 11.942 0.541 12.280 9 HE1 MET 1 3HE MET 1 8.084 0.633 11.534 10 HE2 MET 1 1HE MET 1 8.140 0.823 13.285 11 HE3 MET 1 2HE MET 1 7.491 -0.656 12.578 12 H ALA 2 HN ALA 2 9.281 4.072 13.691 13 HA ALA 2 HA ALA 2 10.177 6.121 15.577 14 HB1 ALA 2 1HB ALA 2 7.960 7.112 15.227 15 HB2 ALA 2 2HB ALA 2 7.516 5.753 14.194 16 HB3 ALA 2 3HB ALA 2 8.802 6.853 13.699 17 H ASN 3 HN ASN 3 7.689 6.462 16.896 18 HA ASN 3 HA ASN 3 7.758 4.118 18.667 19 HB2 ASN 3 2HB ASN 3 6.887 6.969 19.186 20 HB3 ASN 3 1HB ASN 3 6.749 5.663 20.357 21 HD21 ASN 3 1HD2 ASN 3 8.601 4.833 21.308 22 HD22 ASN 3 2HD2 ASN 3 10.105 5.684 21.275 23 H ASP 4 HN ASP 4 6.064 4.923 16.144 24 HA ASP 4 HA ASP 4 3.968 4.659 15.331 25 HB2 ASP 4 2HB ASP 4 4.019 2.471 16.454 26 HB3 ASP 4 1HB ASP 4 3.406 3.213 17.929 27 H THR 5 HN THR 5 2.463 6.183 15.118 28 HA THR 5 HA THR 5 1.558 7.585 17.518 29 HB THR 5 HB THR 5 3.407 8.929 16.825 30 HG1 THR 5 1HG THR 5 1.157 9.930 17.181 31 HG21 THR 5 3HG2 THR 5 3.644 9.870 14.586 32 HG22 THR 5 1HG2 THR 5 2.198 9.009 14.058 33 HG23 THR 5 2HG2 THR 5 3.639 8.108 14.526 34 HA PRO 6 HA PRO 6 -2.215 7.336 15.057 35 HB2 PRO 6 2HB PRO 6 -3.610 7.664 17.561 36 HB3 PRO 6 1HB PRO 6 -3.539 6.234 16.531 37 HG2 PRO 6 2HG PRO 6 -2.398 6.385 19.020 38 HG3 PRO 6 1HG PRO 6 -1.836 5.301 17.735 39 HD2 PRO 6 2HD PRO 6 -0.733 7.949 18.601 40 HD3 PRO 6 1HD PRO 6 0.129 6.468 18.132 41 H PHE 7 HN PHE 7 -2.263 9.285 14.058 42 HA PHE 7 HA PHE 7 -1.864 11.774 15.198 43 HD1 PHE 7 2HD PHE 7 -0.417 13.136 13.179 44 HD2 PHE 7 1HD PHE 7 -2.024 9.471 11.744 45 HE1 PHE 7 2HE PHE 7 1.716 12.646 12.058 46 HE2 PHE 7 1HE PHE 7 0.108 8.969 10.620 47 HZ PHE 7 HZ PHE 7 1.981 10.561 10.775 48 HB2 PHE 7 2HB PHE 7 -3.444 11.083 12.720 49 HB3 PHE 7 1HB PHE 7 -2.862 12.694 13.129 50 H SER 8 HN SER 8 -4.918 10.059 14.683 51 HA SER 8 HA SER 8 -6.184 11.681 16.704 52 HG SER 8 HG SER 8 -6.704 12.255 12.884 53 HB2 SER 8 2HB SER 8 -8.042 12.398 15.204 54 HB3 SER 8 1HB SER 8 -6.494 13.126 14.771 55 H ALA 9 HN ALA 9 -8.596 11.016 16.856 56 HA ALA 9 HA ALA 9 -8.784 8.193 17.094 57 HB1 ALA 9 1HB ALA 9 -10.985 10.257 17.116 58 HB2 ALA 9 2HB ALA 9 -10.040 9.749 18.516 59 HB3 ALA 9 3HB ALA 9 -11.107 8.600 17.709 60 H LEU 10 HN LEU 10 -9.597 10.477 14.622 61 HA LEU 10 HA LEU 10 -11.242 8.789 13.031 62 HG LEU 10 HG LEU 10 -12.509 10.966 13.013 63 HB2 LEU 10 2HB LEU 10 -9.602 11.218 12.276 64 HB3 LEU 10 1HB LEU 10 -10.753 10.431 11.218 65 HD11 LEU 10 1HD1 LEU 10 -12.020 12.907 14.417 66 HD12 LEU 10 2HD1 LEU 10 -10.342 12.874 13.878 67 HD13 LEU 10 3HD1 LEU 10 -10.990 11.535 14.827 68 HD21 LEU 10 3HD2 LEU 10 -12.398 12.074 10.846 69 HD22 LEU 10 1HD2 LEU 10 -11.193 13.201 11.474 70 HD23 LEU 10 2HD2 LEU 10 -12.837 13.219 12.117 71 H TRP 11 HN TRP 11 -7.848 9.261 13.419 72 HA TRP 11 HA TRP 11 -7.113 7.764 11.060 73 HD1 TRP 11 1HD TRP 11 -3.663 7.377 13.969 74 HE1 TRP 11 1HE TRP 11 -1.784 6.189 12.679 75 HE3 TRP 11 3HE TRP 11 -5.160 8.443 9.203 76 HZ2 TRP 11 2HZ TRP 11 -1.030 5.764 9.987 77 HZ3 TRP 11 3HZ TRP 11 -3.805 7.612 7.328 78 HH2 TRP 11 2HH TRP 11 -1.783 6.300 7.711 79 HB2 TRP 11 2HB TRP 11 -5.639 9.535 11.650 80 HB3 TRP 11 1HB TRP 11 -5.559 9.011 13.325 81 H GLN 12 HN GLN 12 -6.891 7.337 14.572 82 HA GLN 12 HA GLN 12 -5.544 4.904 14.563 83 HB2 GLN 12 2HB GLN 12 -5.771 6.353 16.538 84 HB3 GLN 12 1HB GLN 12 -7.474 5.927 16.649 85 HG2 GLN 12 2HG GLN 12 -6.924 3.634 17.113 86 HG3 GLN 12 1HG GLN 12 -5.211 3.951 16.850 87 HE21 GLN 12 1HE2 GLN 12 -4.652 3.251 18.881 88 HE22 GLN 12 2HE2 GLN 12 -5.000 4.159 20.311 89 H ARG 13 HN ARG 13 -8.932 5.520 13.994 90 HA ARG 13 HA ARG 13 -9.962 2.995 14.646 91 HE ARG 13 HE ARG 13 -11.326 7.100 10.421 92 HB2 ARG 13 2HB ARG 13 -11.820 3.515 13.137 93 HB3 ARG 13 1HB ARG 13 -11.419 4.894 14.151 94 HG2 ARG 13 2HG ARG 13 -10.292 5.974 12.334 95 HG3 ARG 13 1HG ARG 13 -10.494 4.550 11.311 96 HD2 ARG 13 2HD ARG 13 -12.910 4.834 11.368 97 HD3 ARG 13 1HD ARG 13 -12.734 6.229 12.434 98 HH11 ARG 13 1HH1 ARG 13 -14.297 5.251 10.283 99 HH12 ARG 13 2HH1 ARG 13 -14.810 5.935 8.769 100 HH21 ARG 13 1HH2 ARG 13 -11.993 7.998 8.428 101 HH22 ARG 13 2HH2 ARG 13 -13.490 7.497 7.709 102 H LEU 14 HN LEU 14 -8.144 4.089 11.854 103 HA LEU 14 HA LEU 14 -8.647 1.789 10.241 104 HG LEU 14 HG LEU 14 -7.391 4.316 7.870 105 HB2 LEU 14 2HB LEU 14 -6.535 3.927 10.181 106 HB3 LEU 14 1HB LEU 14 -6.441 2.540 9.119 107 HD11 LEU 14 1HD1 LEU 14 -8.406 2.154 7.472 108 HD12 LEU 14 2HD1 LEU 14 -9.594 3.445 7.277 109 HD13 LEU 14 3HD1 LEU 14 -9.595 2.459 8.739 110 HD21 LEU 14 3HD2 LEU 14 -8.089 5.769 9.684 111 HD22 LEU 14 1HD2 LEU 14 -9.396 4.658 10.094 112 HD23 LEU 14 2HD2 LEU 14 -9.417 5.512 8.552 113 H LEU 15 HN LEU 15 -6.285 2.653 12.674 114 HA LEU 15 HA LEU 15 -4.557 0.429 12.294 115 HG LEU 15 HG LEU 15 -4.237 3.522 12.895 116 HB2 LEU 15 2HB LEU 15 -4.991 2.112 14.767 117 HB3 LEU 15 1HB LEU 15 -3.642 1.028 14.490 118 HD11 LEU 15 1HD1 LEU 15 -2.256 4.435 13.971 119 HD12 LEU 15 2HD1 LEU 15 -2.074 2.956 14.917 120 HD13 LEU 15 3HD1 LEU 15 -3.475 3.997 15.170 121 HD21 LEU 15 3HD2 LEU 15 -2.070 3.136 11.858 122 HD22 LEU 15 1HD2 LEU 15 -3.155 1.780 11.557 123 HD23 LEU 15 2HD2 LEU 15 -1.884 1.641 12.772 124 H THR 16 HN THR 16 -7.519 0.962 14.026 125 HA THR 16 HA THR 16 -7.474 -1.371 15.627 126 HB THR 16 HB THR 16 -9.923 0.026 14.525 127 HG1 THR 16 1HG THR 16 -9.734 1.428 16.229 128 HG21 THR 16 3HG2 THR 16 -9.474 -1.602 17.031 129 HG22 THR 16 1HG2 THR 16 -10.387 -2.118 15.610 130 HG23 THR 16 2HG2 THR 16 -10.974 -0.778 16.598 131 H ARG 17 HN ARG 17 -8.260 -0.749 12.287 132 HA ARG 17 HA ARG 17 -9.314 -3.403 11.826 133 HE ARG 17 HE ARG 17 -11.130 -0.570 9.000 134 HB2 ARG 17 2HB ARG 17 -10.004 -1.367 10.493 135 HB3 ARG 17 1HB ARG 17 -8.404 -1.379 9.767 136 HG2 ARG 17 2HG ARG 17 -8.816 -3.517 8.750 137 HG3 ARG 17 1HG ARG 17 -10.355 -3.671 9.601 138 HD2 ARG 17 2HD ARG 17 -9.638 -1.682 7.446 139 HD3 ARG 17 1HD ARG 17 -10.809 -2.996 7.341 140 HH11 ARG 17 1HH1 ARG 17 -12.498 -3.268 7.212 141 HH12 ARG 17 2HH1 ARG 17 -14.139 -2.728 7.423 142 HH21 ARG 17 1HH2 ARG 17 -13.262 0.134 9.263 143 HH22 ARG 17 2HH2 ARG 17 -14.576 -0.784 8.582 144 H GLY 18 HN GLY 18 -6.300 -1.648 11.490 145 HA2 GLY 18 2HA GLY 18 -4.445 -3.273 12.182 146 HA3 GLY 18 1HA GLY 18 -4.943 -4.149 10.740 147 H TRP 19 HN TRP 19 -3.018 -3.938 9.717 148 HA TRP 19 HA TRP 19 -1.626 -3.119 8.166 149 HD1 TRP 19 1HD TRP 19 -3.131 -4.356 7.059 150 HE1 TRP 19 1HE TRP 19 -5.276 -5.037 5.809 151 HE3 TRP 19 3HE TRP 19 -5.327 0.223 6.719 152 HZ2 TRP 19 2HZ TRP 19 -7.588 -3.779 4.794 153 HZ3 TRP 19 3HZ TRP 19 -7.510 0.413 5.587 154 HH2 TRP 19 2HH TRP 19 -8.609 -1.556 4.641 155 HB2 TRP 19 2HB TRP 19 -3.433 -0.705 8.137 156 HB3 TRP 19 1HB TRP 19 -2.260 -1.150 6.899 157 H GLN 20 HN GLN 20 0.060 -1.580 7.742 158 HA GLN 20 HA GLN 20 1.061 -0.439 10.236 159 HB2 GLN 20 2HB GLN 20 2.339 -1.347 7.673 160 HB3 GLN 20 1HB GLN 20 3.205 -0.335 8.803 161 HG2 GLN 20 2HG GLN 20 3.876 -2.550 9.228 162 HG3 GLN 20 1HG GLN 20 2.799 -2.096 10.544 163 HE21 GLN 20 1HE2 GLN 20 0.875 -3.160 10.800 164 HE22 GLN 20 2HE2 GLN 20 0.435 -4.560 9.878 165 HA PRO 21 HA PRO 21 0.574 3.648 8.392 166 HB2 PRO 21 2HB PRO 21 1.535 5.072 10.469 167 HB3 PRO 21 1HB PRO 21 -0.071 4.335 10.503 168 HG2 PRO 21 2HG PRO 21 2.465 3.414 11.778 169 HG3 PRO 21 1HG PRO 21 0.810 3.363 12.407 170 HD2 PRO 21 2HD PRO 21 2.126 1.213 11.284 171 HD3 PRO 21 1HD PRO 21 0.361 1.373 11.387 172 H VAL 22 HN VAL 22 1.997 4.319 6.863 173 HA VAL 22 HA VAL 22 4.861 4.271 7.559 174 HB VAL 22 HB VAL 22 5.379 3.734 5.207 175 HG11 VAL 22 1HG1 VAL 22 4.726 1.369 5.298 176 HG12 VAL 22 2HG1 VAL 22 3.581 1.742 6.587 177 HG13 VAL 22 3HG1 VAL 22 5.310 1.955 6.856 178 HG21 VAL 22 3HG2 VAL 22 2.402 3.310 4.917 179 HG22 VAL 22 1HG2 VAL 22 3.627 2.926 3.708 180 HG23 VAL 22 2HG2 VAL 22 3.339 4.603 4.170 181 H GLU 23 HN GLU 23 6.214 5.678 6.212 182 HA GLU 23 HA GLU 23 4.817 8.164 5.469 183 HB2 GLU 23 2HB GLU 23 7.726 7.828 6.244 184 HB3 GLU 23 1HB GLU 23 6.896 9.344 5.929 185 HG2 GLU 23 2HG GLU 23 5.509 8.995 7.908 186 HG3 GLU 23 1HG GLU 23 6.343 7.470 8.216 187 H ALA 24 HN ALA 24 6.231 9.423 3.785 188 HA ALA 24 HA ALA 24 6.433 7.813 1.457 189 HB1 ALA 24 1HB ALA 24 7.230 9.821 0.348 190 HB2 ALA 24 2HB ALA 24 7.487 10.602 1.908 191 HB3 ALA 24 3HB ALA 24 5.852 10.200 1.383 192 H SER 25 HN SER 25 8.750 8.960 3.819 193 HA SER 25 HA SER 25 11.036 8.118 2.290 194 HG SER 25 HG SER 25 13.183 9.402 4.480 195 HB2 SER 25 2HB SER 25 11.258 9.993 3.817 196 HB3 SER 25 1HB SER 25 10.766 8.984 5.176 197 H THR 26 HN THR 26 9.549 6.964 5.340 198 HA THR 26 HA THR 26 11.421 4.822 5.534 199 HB THR 26 HB THR 26 10.431 5.932 7.522 200 HG1 THR 26 1HG THR 26 10.401 3.154 7.113 201 HG21 THR 26 3HG2 THR 26 7.954 4.389 6.749 202 HG22 THR 26 1HG2 THR 26 8.125 6.143 6.762 203 HG23 THR 26 2HG2 THR 26 8.198 5.240 8.275 204 H VAL 27 HN VAL 27 8.673 5.113 3.637 205 HA VAL 27 HA VAL 27 7.615 2.484 3.850 206 HB VAL 27 HB VAL 27 6.426 4.418 2.789 207 HG11 VAL 27 1HG1 VAL 27 8.248 3.836 0.456 208 HG12 VAL 27 2HG1 VAL 27 8.240 5.305 1.432 209 HG13 VAL 27 3HG1 VAL 27 6.846 4.905 0.426 210 HG21 VAL 27 3HG2 VAL 27 5.585 2.168 2.530 211 HG22 VAL 27 1HG2 VAL 27 6.664 1.888 1.165 212 HG23 VAL 27 2HG2 VAL 27 5.356 3.061 1.027 213 H ASP 28 HN ASP 28 10.366 3.850 2.269 214 HA ASP 28 HA ASP 28 10.823 1.944 0.254 215 HB2 ASP 28 2HB ASP 28 11.956 4.163 0.449 216 HB3 ASP 28 1HB ASP 28 12.887 3.533 1.801 217 H ASP 29 HN ASP 29 12.226 2.196 3.520 218 HA ASP 29 HA ASP 29 13.572 -0.289 3.459 219 HB2 ASP 29 2HB ASP 29 14.115 1.515 5.061 220 HB3 ASP 29 1HB ASP 29 12.578 1.252 5.870 221 H TRP 30 HN TRP 30 10.347 0.648 4.460 222 HA TRP 30 HA TRP 30 9.566 -1.716 5.734 223 HD1 TRP 30 1HD TRP 30 7.084 -1.370 7.530 224 HE1 TRP 30 1HE TRP 30 4.895 -2.715 7.345 225 HE3 TRP 30 3HE TRP 30 6.352 -1.051 2.476 226 HZ2 TRP 30 2HZ TRP 30 3.106 -3.536 5.328 227 HZ3 TRP 30 3HZ TRP 30 4.380 -2.150 1.503 228 HH2 TRP 30 2HH TRP 30 2.792 -3.366 2.898 229 HB2 TRP 30 2HB TRP 30 8.248 0.368 5.788 230 HB3 TRP 30 1HB TRP 30 7.857 0.163 4.084 231 H ILE 31 HN ILE 31 9.233 -0.760 2.328 232 HA ILE 31 HA ILE 31 7.946 -3.067 1.413 233 HB ILE 31 HB ILE 31 9.813 -1.228 -0.087 234 HG12 ILE 31 2HG1 ILE 31 6.794 -1.289 -0.101 235 HG13 ILE 31 1HG1 ILE 31 7.721 -0.259 0.984 236 HG21 ILE 31 1HG2 ILE 31 8.766 -2.098 -2.118 237 HG22 ILE 31 2HG2 ILE 31 7.828 -3.237 -1.153 238 HG23 ILE 31 3HG2 ILE 31 9.584 -3.380 -1.224 239 HD11 ILE 31 3HD1 ILE 31 8.729 0.855 -0.936 240 HD12 ILE 31 1HD1 ILE 31 6.969 0.966 -0.969 241 HD13 ILE 31 2HD1 ILE 31 7.802 -0.176 -2.022 242 H LYS 32 HN LYS 32 11.420 -2.307 1.523 243 HA LYS 32 HA LYS 32 12.266 -4.643 0.216 244 HB2 LYS 32 2HB LYS 32 14.154 -3.459 0.236 245 HB3 LYS 32 1HB LYS 32 13.489 -2.361 1.431 246 HG2 LYS 32 2HG LYS 32 14.661 -4.968 2.305 247 HG3 LYS 32 1HG LYS 32 15.713 -3.609 1.901 248 HD2 LYS 32 2HD LYS 32 14.615 -2.223 3.550 249 HD3 LYS 32 1HD LYS 32 13.463 -3.508 3.896 250 HE2 LYS 32 2HE LYS 32 15.330 -4.923 4.679 251 HE3 LYS 32 1HE LYS 32 16.433 -3.574 4.404 252 HZ1 LYS 32 3HZ LYS 32 15.803 -3.656 6.713 253 HZ2 LYS 32 1HZ LYS 32 14.157 -3.618 6.309 254 HZ3 LYS 32 2HZ LYS 32 15.129 -2.265 6.004 255 H ARG 33 HN ARG 33 11.309 -4.082 3.502 256 HA ARG 33 HA ARG 33 12.546 -6.498 4.492 257 HE ARG 33 HE ARG 33 12.716 -7.884 8.573 258 HB2 ARG 33 2HB ARG 33 11.969 -4.274 5.779 259 HB3 ARG 33 1HB ARG 33 10.401 -5.039 5.989 260 HG2 ARG 33 2HG ARG 33 13.005 -6.317 6.796 261 HG3 ARG 33 1HG ARG 33 11.991 -5.369 7.884 262 HD2 ARG 33 2HD ARG 33 10.229 -6.932 7.756 263 HD3 ARG 33 1HD ARG 33 10.961 -7.759 6.383 264 HH11 ARG 33 1HH1 ARG 33 9.613 -9.147 7.569 265 HH12 ARG 33 2HH1 ARG 33 9.803 -10.647 8.413 266 HH21 ARG 33 1HH2 ARG 33 12.978 -9.851 9.691 267 HH22 ARG 33 2HH2 ARG 33 11.714 -11.050 9.634 268 H VAL 34 HN VAL 34 9.273 -5.405 3.673 269 HA VAL 34 HA VAL 34 8.100 -7.880 4.526 270 HB VAL 34 HB VAL 34 5.983 -7.012 3.655 271 HG11 VAL 34 1HG1 VAL 34 7.553 -4.997 5.252 272 HG12 VAL 34 2HG1 VAL 34 6.692 -6.396 5.892 273 HG13 VAL 34 3HG1 VAL 34 5.795 -5.078 5.140 274 HG21 VAL 34 3HG2 VAL 34 7.613 -4.659 2.697 275 HG22 VAL 34 1HG2 VAL 34 5.852 -4.748 2.715 276 HG23 VAL 34 2HG2 VAL 34 6.779 -5.835 1.681 277 H GLY 35 HN GLY 35 8.928 -6.467 1.387 278 HA2 GLY 35 2HA GLY 35 9.529 -7.622 -0.529 279 HA3 GLY 35 1HA GLY 35 9.056 -9.122 0.254 280 H ASP 36 HN ASP 36 6.528 -8.877 0.855 281 HA ASP 36 HA ASP 36 5.191 -8.318 -1.706 282 HB2 ASP 36 2HB ASP 36 4.533 -10.590 0.174 283 HB3 ASP 36 1HB ASP 36 3.877 -10.306 -1.425 284 H GLY 37 HN GLY 37 3.570 -6.887 -1.495 285 HA2 GLY 37 2HA GLY 37 1.618 -6.992 0.500 286 HA3 GLY 37 1HA GLY 37 2.843 -5.846 1.023 287 H VAL 38 HN VAL 38 0.670 -4.617 0.861 288 HA VAL 38 HA VAL 38 0.744 -3.162 -1.673 289 HB VAL 38 HB VAL 38 -1.769 -2.992 -1.643 290 HG11 VAL 38 1HG1 VAL 38 -2.138 -5.128 -2.755 291 HG12 VAL 38 2HG1 VAL 38 -0.635 -5.753 -2.079 292 HG13 VAL 38 3HG1 VAL 38 -0.595 -4.426 -3.239 293 HG21 VAL 38 3HG2 VAL 38 -3.016 -4.767 -0.506 294 HG22 VAL 38 1HG2 VAL 38 -2.183 -3.710 0.635 295 HG23 VAL 38 2HG2 VAL 38 -1.527 -5.308 0.269 296 H ILE 39 HN ILE 39 0.566 -1.011 -1.440 297 HA ILE 39 HA ILE 39 0.085 0.003 1.273 298 HB ILE 39 HB ILE 39 1.464 1.311 -1.084 299 HG12 ILE 39 2HG1 ILE 39 3.363 1.432 0.657 300 HG13 ILE 39 1HG1 ILE 39 2.434 0.246 1.567 301 HG21 ILE 39 1HG2 ILE 39 0.184 2.992 0.089 302 HG22 ILE 39 2HG2 ILE 39 1.903 3.208 0.419 303 HG23 ILE 39 3HG2 ILE 39 0.858 2.467 1.631 304 HD11 ILE 39 3HD1 ILE 39 2.568 -1.297 -0.327 305 HD12 ILE 39 1HD1 ILE 39 4.163 -0.824 0.263 306 HD13 ILE 39 2HD1 ILE 39 3.520 -0.105 -1.217 307 H LEU 40 HN LEU 40 -1.760 0.994 1.698 308 HA LEU 40 HA LEU 40 -3.524 1.749 -0.501 309 HG LEU 40 HG LEU 40 -3.968 -0.617 1.655 310 HB2 LEU 40 2HB LEU 40 -4.004 1.646 2.482 311 HB3 LEU 40 1HB LEU 40 -5.204 2.110 1.294 312 HD11 LEU 40 1HD1 LEU 40 -6.797 0.374 1.938 313 HD12 LEU 40 2HD1 LEU 40 -5.708 -0.058 3.255 314 HD13 LEU 40 3HD1 LEU 40 -6.260 -1.295 2.127 315 HD21 LEU 40 3HD2 LEU 40 -5.399 -1.344 -0.188 316 HD22 LEU 40 1HD2 LEU 40 -4.222 -0.146 -0.726 317 HD23 LEU 40 2HD2 LEU 40 -5.900 0.326 -0.462 318 H LEU 41 HN LEU 41 -3.440 3.757 -1.239 319 HA LEU 41 HA LEU 41 -2.329 5.897 0.362 320 HG LEU 41 HG LEU 41 -1.529 4.620 -2.439 321 HB2 LEU 41 2HB LEU 41 -3.592 5.959 -2.385 322 HB3 LEU 41 1HB LEU 41 -2.716 7.277 -1.633 323 HD11 LEU 41 1HD1 LEU 41 -0.352 5.927 -4.143 324 HD12 LEU 41 2HD1 LEU 41 -1.257 7.363 -3.661 325 HD13 LEU 41 3HD1 LEU 41 -2.100 5.982 -4.365 326 HD21 LEU 41 3HD2 LEU 41 0.615 5.641 -1.901 327 HD22 LEU 41 1HD2 LEU 41 -0.427 5.575 -0.479 328 HD23 LEU 41 2HD2 LEU 41 -0.207 7.099 -1.341 329 H SER 42 HN SER 42 -3.613 8.026 0.337 330 HA SER 42 HA SER 42 -6.079 7.827 1.614 331 HG SER 42 HG SER 42 -7.227 10.321 0.524 332 HB2 SER 42 2HB SER 42 -4.659 9.848 1.642 333 HB3 SER 42 1HB SER 42 -4.991 10.111 -0.067 334 H SER 43 HN SER 43 -7.765 6.754 0.728 335 HA SER 43 HA SER 43 -7.979 6.581 -2.135 336 HG SER 43 HG SER 43 -10.441 4.815 0.438 337 HB2 SER 43 2HB SER 43 -9.833 4.943 -1.559 338 HB3 SER 43 1HB SER 43 -8.220 4.525 -0.981 339 H ASP 44 HN ASP 44 -10.939 6.407 -0.390 340 HA ASP 44 HA ASP 44 -11.994 8.401 -2.215 341 HB2 ASP 44 2HB ASP 44 -14.222 7.527 -1.382 342 HB3 ASP 44 1HB ASP 44 -13.214 6.370 -2.242 343 HA PRO 45 HA PRO 45 -12.335 11.352 1.104 344 HB2 PRO 45 2HB PRO 45 -13.013 13.442 -0.427 345 HB3 PRO 45 1HB PRO 45 -11.366 12.802 -0.421 346 HG2 PRO 45 2HG PRO 45 -13.548 12.399 -2.419 347 HG3 PRO 45 1HG PRO 45 -11.814 12.648 -2.687 348 HD2 PRO 45 2HD PRO 45 -13.079 10.187 -2.725 349 HD3 PRO 45 1HD PRO 45 -11.346 10.427 -2.436 350 H ARG 46 HN ARG 46 -14.090 12.930 1.750 351 HA ARG 46 HA ARG 46 -16.587 11.562 1.812 352 HE ARG 46 HE ARG 46 -15.555 13.702 5.392 353 HB2 ARG 46 2HB ARG 46 -17.393 13.587 3.031 354 HB3 ARG 46 1HB ARG 46 -15.957 12.852 3.726 355 HG2 ARG 46 2HG ARG 46 -14.612 14.575 2.474 356 HG3 ARG 46 1HG ARG 46 -16.143 15.372 2.105 357 HD2 ARG 46 2HD ARG 46 -14.981 16.301 4.099 358 HD3 ARG 46 1HD ARG 46 -16.604 15.696 4.435 359 HH11 ARG 46 1HH1 ARG 46 -13.520 16.516 4.930 360 HH12 ARG 46 2HH1 ARG 46 -12.425 16.091 6.204 361 HH21 ARG 46 1HH2 ARG 46 -14.090 13.121 7.041 362 HH22 ARG 46 2HH2 ARG 46 -12.726 14.142 7.391 363 H ARG 47 HN ARG 47 -18.623 12.319 1.042 364 HA ARG 47 HA ARG 47 -18.425 14.136 -1.265 365 HE ARG 47 HE ARG 47 -16.871 13.580 -2.159 366 HB2 ARG 47 2HB ARG 47 -20.182 11.677 -1.044 367 HB3 ARG 47 1HB ARG 47 -20.128 12.786 -2.407 368 HG2 ARG 47 2HG ARG 47 -17.678 11.312 -1.518 369 HG3 ARG 47 1HG ARG 47 -18.866 10.560 -2.582 370 HD2 ARG 47 2HD ARG 47 -17.064 11.540 -3.874 371 HD3 ARG 47 1HD ARG 47 -18.575 12.388 -4.184 372 HH11 ARG 47 1HH1 ARG 47 -17.807 13.469 -5.521 373 HH12 ARG 47 2HH1 ARG 47 -17.207 15.054 -5.886 374 HH21 ARG 47 1HH2 ARG 47 -16.095 15.701 -2.613 375 HH22 ARG 47 2HH2 ARG 47 -16.257 16.338 -4.224 376 H THR 48 HN THR 48 -21.472 12.788 -0.642 377 HA THR 48 HA THR 48 -22.220 14.775 1.340 378 HB THR 48 HB THR 48 -24.278 14.614 -0.726 379 HG1 THR 48 1HG THR 48 -22.980 16.155 -2.089 380 HG21 THR 48 3HG2 THR 48 -24.264 17.045 -0.424 381 HG22 THR 48 1HG2 THR 48 -22.784 16.921 0.525 382 HG23 THR 48 2HG2 THR 48 -24.281 16.214 1.131 383 HA PRO 49 HA PRO 49 -25.108 10.998 1.428 384 HB2 PRO 49 2HB PRO 49 -25.016 9.436 -0.958 385 HB3 PRO 49 1HB PRO 49 -26.354 10.428 -0.380 386 HG2 PRO 49 2HG PRO 49 -24.870 10.926 -2.667 387 HG3 PRO 49 1HG PRO 49 -25.858 12.120 -1.808 388 HD2 PRO 49 2HD PRO 49 -22.906 11.665 -1.697 389 HD3 PRO 49 1HD PRO 49 -23.819 13.190 -1.664 390 H GLU 50 HN GLU 50 -24.795 8.519 1.528 391 HA GLU 50 HA GLU 50 -21.990 8.060 2.083 392 HB2 GLU 50 2HB GLU 50 -22.855 5.849 2.970 393 HB3 GLU 50 1HB GLU 50 -23.418 7.301 3.784 394 HG2 GLU 50 2HG GLU 50 -25.525 7.166 2.531 395 HG3 GLU 50 1HG GLU 50 -24.957 5.682 1.764 396 H VAL 51 HN VAL 51 -22.139 8.389 -0.523 397 HA VAL 51 HA VAL 51 -22.248 5.782 -1.824 398 HB VAL 51 HB VAL 51 -23.207 7.856 -2.891 399 HG11 VAL 51 1HG1 VAL 51 -21.505 9.455 -2.263 400 HG12 VAL 51 2HG1 VAL 51 -21.668 9.398 -4.019 401 HG13 VAL 51 3HG1 VAL 51 -20.308 8.598 -3.232 402 HG21 VAL 51 3HG2 VAL 51 -21.060 6.445 -4.470 403 HG22 VAL 51 1HG2 VAL 51 -22.428 7.335 -5.140 404 HG23 VAL 51 2HG2 VAL 51 -22.705 5.864 -4.209 405 H SER 52 HN SER 52 -20.214 6.784 0.206 406 HA SER 52 HA SER 52 -17.710 6.977 -1.134 407 HG SER 52 HG SER 52 -18.504 5.468 2.152 408 HB2 SER 52 2HB SER 52 -16.818 6.592 1.222 409 HB3 SER 52 1HB SER 52 -17.871 7.992 1.015 410 H ASP 53 HN ASP 53 -15.921 5.367 -0.235 411 HA ASP 53 HA ASP 53 -16.913 2.672 -0.889 412 HB2 ASP 53 2HB ASP 53 -14.231 3.941 -1.464 413 HB3 ASP 53 1HB ASP 53 -14.581 2.233 -1.706 414 H ASN 54 HN ASN 54 -13.993 4.057 0.609 415 HA ASN 54 HA ASN 54 -12.883 3.601 2.525 416 HB2 ASN 54 2HB ASN 54 -15.542 2.433 3.335 417 HB3 ASN 54 1HB ASN 54 -14.133 2.338 4.385 418 HD21 ASN 54 1HD2 ASN 54 -14.843 5.061 2.274 419 HD22 ASN 54 2HD2 ASN 54 -15.175 6.183 3.548 420 HA PRO 55 HA PRO 55 -11.026 -0.167 1.339 421 HB2 PRO 55 2HB PRO 55 -9.214 -0.422 3.365 422 HB3 PRO 55 1HB PRO 55 -9.025 0.695 2.010 423 HG2 PRO 55 2HG PRO 55 -9.977 1.230 4.790 424 HG3 PRO 55 1HG PRO 55 -8.915 2.208 3.762 425 HD2 PRO 55 2HD PRO 55 -11.539 2.779 4.127 426 HD3 PRO 55 1HD PRO 55 -10.680 3.145 2.616 427 H VAL 56 HN VAL 56 -12.795 -1.565 1.634 428 HA VAL 56 HA VAL 56 -12.534 -3.258 4.033 429 HB VAL 56 HB VAL 56 -14.948 -3.764 3.915 430 HG11 VAL 56 1HG1 VAL 56 -14.300 -0.831 4.211 431 HG12 VAL 56 2HG1 VAL 56 -14.190 -2.062 5.472 432 HG13 VAL 56 3HG1 VAL 56 -15.764 -1.615 4.806 433 HG21 VAL 56 3HG2 VAL 56 -15.336 -3.275 1.555 434 HG22 VAL 56 1HG2 VAL 56 -15.037 -1.564 1.850 435 HG23 VAL 56 2HG2 VAL 56 -16.438 -2.351 2.572 436 H MET 57 HN MET 57 -12.751 -3.002 0.613 437 HA MET 57 HA MET 57 -13.328 -5.842 0.258 438 HB2 MET 57 2HB MET 57 -13.640 -5.391 -2.046 439 HB3 MET 57 1HB MET 57 -14.372 -4.041 -1.193 440 HG2 MET 57 2HG MET 57 -12.329 -2.718 -1.613 441 HG3 MET 57 1HG MET 57 -11.692 -4.060 -2.560 442 HE1 MET 57 3HE MET 57 -11.317 -2.632 -4.712 443 HE2 MET 57 1HE MET 57 -11.818 -1.201 -3.808 444 HE3 MET 57 2HE MET 57 -12.521 -1.535 -5.392 445 H ILE 58 HN ILE 58 -10.648 -4.004 0.828 446 HA ILE 58 HA ILE 58 -8.815 -5.170 -1.026 447 HB ILE 58 HB ILE 58 -8.486 -2.962 0.126 448 HG12 ILE 58 2HG1 ILE 58 -6.014 -3.341 0.564 449 HG13 ILE 58 1HG1 ILE 58 -6.314 -5.053 0.283 450 HG21 ILE 58 1HG2 ILE 58 -7.502 -2.959 2.373 451 HG22 ILE 58 2HG2 ILE 58 -7.795 -4.693 2.488 452 HG23 ILE 58 3HG2 ILE 58 -9.155 -3.576 2.365 453 HD11 ILE 58 3HD1 ILE 58 -7.064 -4.567 -1.980 454 HD12 ILE 58 1HD1 ILE 58 -5.434 -3.950 -1.705 455 HD13 ILE 58 2HD1 ILE 58 -6.806 -2.842 -1.705 456 H ALA 59 HN ALA 59 -10.203 -6.130 1.962 457 HA ALA 59 HA ALA 59 -8.242 -7.942 2.874 458 HB1 ALA 59 1HB ALA 59 -11.220 -8.036 3.333 459 HB2 ALA 59 2HB ALA 59 -10.072 -7.091 4.282 460 HB3 ALA 59 3HB ALA 59 -9.984 -8.854 4.287 461 H GLU 60 HN GLU 60 -11.136 -8.412 0.846 462 HA GLU 60 HA GLU 60 -10.731 -11.208 0.570 463 HB2 GLU 60 2HB GLU 60 -12.466 -11.095 -1.184 464 HB3 GLU 60 1HB GLU 60 -12.953 -10.315 0.311 465 HG2 GLU 60 2HG GLU 60 -12.338 -8.130 -0.723 466 HG3 GLU 60 1HG GLU 60 -12.085 -8.991 -2.241 467 H LEU 61 HN LEU 61 -9.643 -8.411 -1.213 468 HA LEU 61 HA LEU 61 -8.599 -9.688 -3.484 469 HG LEU 61 HG LEU 61 -7.127 -6.445 -4.414 470 HB2 LEU 61 2HB LEU 61 -8.781 -7.185 -2.931 471 HB3 LEU 61 1HB LEU 61 -7.288 -7.383 -2.053 472 HD11 LEU 61 1HD1 LEU 61 -5.518 -8.900 -3.730 473 HD12 LEU 61 2HD1 LEU 61 -5.173 -7.248 -3.222 474 HD13 LEU 61 3HD1 LEU 61 -5.078 -7.684 -4.928 475 HD21 LEU 61 3HD2 LEU 61 -7.090 -8.088 -6.230 476 HD22 LEU 61 1HD2 LEU 61 -8.690 -7.946 -5.501 477 HD23 LEU 61 2HD2 LEU 61 -7.664 -9.327 -5.113 478 H LEU 62 HN LEU 62 -7.098 -8.869 -0.404 479 HA LEU 62 HA LEU 62 -4.587 -9.980 -0.791 480 HG LEU 62 HG LEU 62 -3.177 -9.999 1.262 481 HB2 LEU 62 2HB LEU 62 -5.322 -8.509 1.092 482 HB3 LEU 62 1HB LEU 62 -6.131 -9.886 1.803 483 HD11 LEU 62 1HD1 LEU 62 -3.558 -7.931 2.505 484 HD12 LEU 62 2HD1 LEU 62 -2.778 -9.148 3.514 485 HD13 LEU 62 3HD1 LEU 62 -4.500 -8.820 3.701 486 HD21 LEU 62 3HD2 LEU 62 -4.269 -12.071 1.910 487 HD22 LEU 62 1HD2 LEU 62 -4.983 -11.279 3.315 488 HD23 LEU 62 2HD2 LEU 62 -3.236 -11.497 3.219 489 H ARG 63 HN ARG 63 -7.550 -11.548 0.374 490 HA ARG 63 HA ARG 63 -6.166 -14.012 0.933 491 HE ARG 63 HE ARG 63 -9.686 -12.886 3.353 492 HB2 ARG 63 2HB ARG 63 -8.298 -14.884 1.622 493 HB3 ARG 63 1HB ARG 63 -8.109 -13.263 2.269 494 HG2 ARG 63 2HG ARG 63 -9.544 -12.386 0.504 495 HG3 ARG 63 1HG ARG 63 -9.739 -14.012 -0.147 496 HD2 ARG 63 2HD ARG 63 -11.651 -13.376 1.223 497 HD3 ARG 63 1HD ARG 63 -10.778 -14.730 1.942 498 HH11 ARG 63 1HH1 ARG 63 -12.976 -12.777 2.158 499 HH12 ARG 63 2HH1 ARG 63 -13.569 -11.825 3.493 500 HH21 ARG 63 1HH2 ARG 63 -10.436 -11.655 5.106 501 HH22 ARG 63 2HH2 ARG 63 -12.120 -11.212 5.202 502 H GLU 64 HN GLU 64 -7.307 -12.620 -1.891 503 HA GLU 64 HA GLU 64 -8.168 -15.082 -3.146 504 HB2 GLU 64 2HB GLU 64 -9.143 -12.830 -3.716 505 HB3 GLU 64 1HB GLU 64 -7.604 -12.411 -4.457 506 HG2 GLU 64 2HG GLU 64 -9.095 -13.088 -6.180 507 HG3 GLU 64 1HG GLU 64 -7.880 -14.350 -5.985 508 H PHE 65 HN PHE 65 -5.276 -13.364 -2.601 509 HA PHE 65 HA PHE 65 -3.853 -15.189 -4.430 510 HD1 PHE 65 1HD PHE 65 -4.392 -14.401 -6.282 511 HD2 PHE 65 2HD PHE 65 -3.147 -10.587 -4.870 512 HE1 PHE 65 1HE PHE 65 -5.450 -13.339 -8.236 513 HE2 PHE 65 2HE PHE 65 -4.212 -9.517 -6.813 514 HZ PHE 65 HZ PHE 65 -5.362 -10.893 -8.498 515 HB2 PHE 65 2HB PHE 65 -2.932 -12.460 -3.492 516 HB3 PHE 65 1HB PHE 65 -2.046 -13.534 -4.564 517 HA PRO 66 HA PRO 66 -2.764 -16.028 -0.005 518 HB2 PRO 66 2HB PRO 66 -3.358 -18.637 0.090 519 HB3 PRO 66 1HB PRO 66 -4.617 -17.399 0.182 520 HG2 PRO 66 2HG PRO 66 -3.804 -19.113 -2.123 521 HG3 PRO 66 1HG PRO 66 -5.423 -18.585 -1.633 522 HD2 PRO 66 2HD PRO 66 -3.896 -17.433 -3.648 523 HD3 PRO 66 1HD PRO 66 -5.264 -16.658 -2.830 524 H GLN 67 HN GLN 67 -1.358 -16.618 -2.841 525 HA GLN 67 HA GLN 67 0.513 -18.666 -2.203 526 HB2 GLN 67 2HB GLN 67 0.593 -16.478 -4.290 527 HB3 GLN 67 1HB GLN 67 1.779 -17.771 -4.168 528 HG2 GLN 67 2HG GLN 67 -1.164 -18.111 -4.702 529 HG3 GLN 67 1HG GLN 67 0.137 -18.253 -5.884 530 HE21 GLN 67 1HE2 GLN 67 -1.847 -20.215 -5.085 531 HE22 GLN 67 2HE2 GLN 67 -0.960 -21.586 -4.495 532 H PHE 68 HN PHE 68 0.434 -15.183 -1.862 533 HA PHE 68 HA PHE 68 3.059 -15.279 -0.529 534 HD1 PHE 68 2HD PHE 68 4.270 -15.082 -2.854 535 HD2 PHE 68 1HD PHE 68 1.035 -12.426 -3.541 536 HE1 PHE 68 2HE PHE 68 4.447 -15.510 -5.273 537 HE2 PHE 68 1HE PHE 68 1.193 -12.840 -5.956 538 HZ PHE 68 HZ PHE 68 2.897 -14.390 -6.824 539 HB2 PHE 68 2HB PHE 68 1.773 -12.719 -1.416 540 HB3 PHE 68 1HB PHE 68 3.481 -13.093 -1.218 541 H ASP 69 HN ASP 69 3.304 -13.922 1.361 542 HA ASP 69 HA ASP 69 0.790 -13.516 2.831 543 HB2 ASP 69 2HB ASP 69 2.365 -14.894 4.048 544 HB3 ASP 69 1HB ASP 69 3.656 -13.726 3.791 545 H TRP 70 HN TRP 70 0.070 -11.556 2.231 546 HA TRP 70 HA TRP 70 1.937 -9.454 1.552 547 HD1 TRP 70 1HD TRP 70 -0.729 -12.039 0.576 548 HE1 TRP 70 1HE TRP 70 -0.742 -12.710 -1.904 549 HE3 TRP 70 3HE TRP 70 0.371 -7.493 -1.501 550 HZ2 TRP 70 2HZ TRP 70 -0.370 -11.473 -4.408 551 HZ3 TRP 70 3HZ TRP 70 0.516 -7.325 -3.952 552 HH2 TRP 70 2HH TRP 70 0.154 -9.279 -5.372 553 HB2 TRP 70 2HB TRP 70 -1.072 -9.308 1.584 554 HB3 TRP 70 1HB TRP 70 0.028 -8.219 0.764 555 H GLN 71 HN GLN 71 2.424 -7.741 2.741 556 HA GLN 71 HA GLN 71 0.884 -7.209 5.183 557 HB2 GLN 71 2HB GLN 71 3.604 -6.228 4.298 558 HB3 GLN 71 1HB GLN 71 2.767 -5.603 5.708 559 HG2 GLN 71 2HG GLN 71 4.282 -7.168 6.544 560 HG3 GLN 71 1HG GLN 71 2.726 -7.996 6.555 561 HE21 GLN 71 1HE2 GLN 71 3.648 -10.027 6.495 562 HE22 GLN 71 2HE2 GLN 71 4.413 -10.658 5.085 563 H VAL 72 HN VAL 72 -0.405 -5.458 5.308 564 HA VAL 72 HA VAL 72 -0.441 -3.692 2.961 565 HB VAL 72 HB VAL 72 -2.642 -4.041 5.002 566 HG11 VAL 72 1HG1 VAL 72 -2.645 -2.791 2.260 567 HG12 VAL 72 2HG1 VAL 72 -2.693 -1.921 3.792 568 HG13 VAL 72 3HG1 VAL 72 -4.041 -2.956 3.322 569 HG21 VAL 72 3HG2 VAL 72 -3.788 -5.412 3.323 570 HG22 VAL 72 1HG2 VAL 72 -2.275 -6.151 3.848 571 HG23 VAL 72 2HG2 VAL 72 -2.360 -5.329 2.290 572 H ALA 73 HN ALA 73 -0.186 -1.535 3.178 573 HA ALA 73 HA ALA 73 0.172 -0.493 5.909 574 HB1 ALA 73 1HB ALA 73 2.001 0.903 5.104 575 HB2 ALA 73 2HB ALA 73 1.824 0.219 3.488 576 HB3 ALA 73 3HB ALA 73 2.347 -0.805 4.824 577 H VAL 74 HN VAL 74 -0.178 1.809 6.123 578 HA VAL 74 HA VAL 74 -1.964 2.900 4.047 579 HB VAL 74 HB VAL 74 -3.016 4.256 5.897 580 HG11 VAL 74 1HG1 VAL 74 -4.441 2.417 6.685 581 HG12 VAL 74 2HG1 VAL 74 -3.269 1.253 6.069 582 HG13 VAL 74 3HG1 VAL 74 -4.131 2.312 4.953 583 HG21 VAL 74 3HG2 VAL 74 -1.508 2.311 7.647 584 HG22 VAL 74 1HG2 VAL 74 -2.788 3.394 8.198 585 HG23 VAL 74 2HG2 VAL 74 -1.278 4.058 7.577 586 H ALA 75 HN ALA 75 -1.561 4.917 3.306 587 HA ALA 75 HA ALA 75 1.042 6.012 4.106 588 HB1 ALA 75 1HB ALA 75 1.080 7.030 1.883 589 HB2 ALA 75 2HB ALA 75 -0.527 6.380 1.557 590 HB3 ALA 75 3HB ALA 75 0.837 5.285 1.794 591 H ASP 76 HN ASP 76 -1.625 6.623 5.406 592 HA ASP 76 HA ASP 76 -2.712 8.421 6.302 593 HB2 ASP 76 2HB ASP 76 -0.317 8.834 7.010 594 HB3 ASP 76 1HB ASP 76 -0.163 9.922 5.638 595 H LEU 77 HN LEU 77 -2.474 11.224 5.590 596 HA LEU 77 HA LEU 77 -3.773 11.139 2.956 597 HG LEU 77 HG LEU 77 -5.957 11.350 4.131 598 HB2 LEU 77 2HB LEU 77 -3.826 13.228 5.137 599 HB3 LEU 77 1HB LEU 77 -4.569 13.440 3.565 600 HD11 LEU 77 1HD1 LEU 77 -6.299 10.934 6.519 601 HD12 LEU 77 2HD1 LEU 77 -4.995 12.057 6.899 602 HD13 LEU 77 3HD1 LEU 77 -4.646 10.567 6.024 603 HD21 LEU 77 3HD2 LEU 77 -7.588 12.682 5.367 604 HD22 LEU 77 1HD2 LEU 77 -6.868 13.608 4.051 605 HD23 LEU 77 2HD2 LEU 77 -6.347 13.887 5.713 606 H GLU 78 HN GLU 78 -1.171 12.605 4.788 607 HA GLU 78 HA GLU 78 -0.381 14.404 2.692 608 HB2 GLU 78 2HB GLU 78 0.084 15.001 4.986 609 HB3 GLU 78 1HB GLU 78 0.994 13.518 5.233 610 HG2 GLU 78 2HG GLU 78 2.515 15.354 4.999 611 HG3 GLU 78 1HG GLU 78 2.660 14.295 3.597 612 H GLN 79 HN GLN 79 1.010 11.430 4.059 613 HA GLN 79 HA GLN 79 3.286 11.338 2.446 614 HB2 GLN 79 2HB GLN 79 1.830 8.921 3.516 615 HB3 GLN 79 1HB GLN 79 3.543 9.061 3.149 616 HG2 GLN 79 2HG GLN 79 2.073 10.478 5.360 617 HG3 GLN 79 1HG GLN 79 3.161 9.102 5.539 618 HE21 GLN 79 1HE2 GLN 79 3.287 11.789 6.687 619 HE22 GLN 79 2HE2 GLN 79 4.815 12.440 6.204 620 H SER 80 HN SER 80 0.035 10.188 1.888 621 HA SER 80 HA SER 80 0.346 8.566 -0.311 622 HG SER 80 HG SER 80 -1.989 8.963 1.838 623 HB2 SER 80 2HB SER 80 -1.869 10.504 0.344 624 HB3 SER 80 1HB SER 80 -1.969 9.300 -0.941 625 H GLU 81 HN GLU 81 0.490 12.080 -0.195 626 HA GLU 81 HA GLU 81 0.210 12.413 -3.019 627 HB2 GLU 81 2HB GLU 81 -0.364 14.193 -1.395 628 HB3 GLU 81 1HB GLU 81 1.342 14.348 -0.997 629 HG2 GLU 81 2HG GLU 81 1.856 15.104 -3.205 630 HG3 GLU 81 1HG GLU 81 0.211 14.771 -3.749 631 H ALA 82 HN ALA 82 2.956 12.336 -0.788 632 HA ALA 82 HA ALA 82 4.899 12.779 -2.839 633 HB1 ALA 82 1HB ALA 82 5.271 11.659 -0.063 634 HB2 ALA 82 2HB ALA 82 5.324 13.367 -0.499 635 HB3 ALA 82 3HB ALA 82 6.545 12.259 -1.123 636 H ILE 83 HN ILE 83 3.670 9.920 -1.142 637 HA ILE 83 HA ILE 83 5.374 8.042 -2.377 638 HB ILE 83 HB ILE 83 2.649 7.737 -1.120 639 HG12 ILE 83 2HG1 ILE 83 5.434 7.006 -0.183 640 HG13 ILE 83 1HG1 ILE 83 4.474 8.364 0.394 641 HG21 ILE 83 1HG2 ILE 83 2.949 5.967 -2.780 642 HG22 ILE 83 2HG2 ILE 83 3.004 5.325 -1.136 643 HG23 ILE 83 3HG2 ILE 83 4.498 5.542 -2.048 644 HD11 ILE 83 3HD1 ILE 83 4.444 6.516 1.967 645 HD12 ILE 83 1HD1 ILE 83 3.787 5.452 0.722 646 HD13 ILE 83 2HD1 ILE 83 2.834 6.813 1.312 647 H GLY 84 HN GLY 84 2.124 9.204 -3.205 648 HA2 GLY 84 2HA GLY 84 1.683 7.566 -5.435 649 HA3 GLY 84 1HA GLY 84 0.950 9.143 -5.170 650 H ASP 85 HN ASP 85 3.281 10.686 -5.139 651 HA ASP 85 HA ASP 85 3.737 11.166 -7.868 652 HB2 ASP 85 2HB ASP 85 4.005 12.868 -6.105 653 HB3 ASP 85 1HB ASP 85 5.393 11.992 -5.479 654 H ARG 86 HN ARG 86 5.684 9.534 -5.410 655 HA ARG 86 HA ARG 86 7.973 9.099 -6.969 656 HE ARG 86 HE ARG 86 9.966 4.752 -4.732 657 HB2 ARG 86 2HB ARG 86 8.126 8.905 -4.591 658 HB3 ARG 86 1HB ARG 86 6.895 7.650 -4.553 659 HG2 ARG 86 2HG ARG 86 8.410 6.141 -5.754 660 HG3 ARG 86 1HG ARG 86 9.647 7.398 -5.748 661 HD2 ARG 86 2HD ARG 86 9.838 7.316 -3.383 662 HD3 ARG 86 1HD ARG 86 8.396 6.308 -3.236 663 HH11 ARG 86 1HH1 ARG 86 10.724 6.587 -1.832 664 HH12 ARG 86 2HH1 ARG 86 11.913 5.441 -1.282 665 HH21 ARG 86 1HH2 ARG 86 11.511 3.254 -3.990 666 HH22 ARG 86 2HH2 ARG 86 12.340 3.528 -2.483 667 H PHE 87 HN PHE 87 5.101 7.077 -6.483 668 HA PHE 87 HA PHE 87 6.288 4.981 -8.127 669 HD1 PHE 87 1HD PHE 87 7.067 3.481 -6.941 670 HD2 PHE 87 2HD PHE 87 3.881 4.515 -4.327 671 HE1 PHE 87 1HE PHE 87 8.391 2.690 -5.029 672 HE2 PHE 87 2HE PHE 87 5.200 3.719 -2.406 673 HZ PHE 87 HZ PHE 87 7.460 2.808 -2.754 674 HB2 PHE 87 2HB PHE 87 3.712 5.052 -6.551 675 HB3 PHE 87 1HB PHE 87 4.261 3.671 -7.499 676 H ASN 88 HN ASN 88 4.750 7.729 -8.742 677 HA ASN 88 HA ASN 88 4.043 8.620 -10.696 678 HB2 ASN 88 2HB ASN 88 4.608 5.881 -11.840 679 HB3 ASN 88 1HB ASN 88 4.256 7.321 -12.787 680 HD21 ASN 88 1HD2 ASN 88 5.758 9.031 -10.907 681 HD22 ASN 88 2HD2 ASN 88 7.429 8.732 -11.240 682 H VAL 89 HN VAL 89 2.158 7.437 -8.850 683 HA VAL 89 HA VAL 89 -0.004 6.635 -10.663 684 HB VAL 89 HB VAL 89 0.361 5.472 -8.423 685 HG11 VAL 89 1HG1 VAL 89 0.792 7.408 -7.043 686 HG12 VAL 89 2HG1 VAL 89 -0.620 6.537 -6.448 687 HG13 VAL 89 3HG1 VAL 89 -0.828 8.029 -7.366 688 HG21 VAL 89 3HG2 VAL 89 -2.051 5.289 -7.961 689 HG22 VAL 89 1HG2 VAL 89 -1.673 5.169 -9.679 690 HG23 VAL 89 2HG2 VAL 89 -2.337 6.665 -9.027 691 H ARG 90 HN ARG 90 1.471 9.290 -10.015 692 HA ARG 90 HA ARG 90 1.050 11.454 -10.444 693 HE ARG 90 HE ARG 90 -3.611 12.782 -12.785 694 HB2 ARG 90 2HB ARG 90 -0.695 10.438 -12.033 695 HB3 ARG 90 1HB ARG 90 -1.875 10.848 -10.797 696 HG2 ARG 90 2HG ARG 90 -1.648 13.105 -11.128 697 HG3 ARG 90 1HG ARG 90 -0.013 12.955 -11.774 698 HD2 ARG 90 2HD ARG 90 -1.435 13.523 -13.591 699 HD3 ARG 90 1HD ARG 90 -1.002 11.827 -13.778 700 HH11 ARG 90 1HH1 ARG 90 -1.642 10.365 -14.395 701 HH12 ARG 90 2HH1 ARG 90 -3.010 9.474 -15.008 702 HH21 ARG 90 1HH2 ARG 90 -5.409 11.621 -13.623 703 HH22 ARG 90 2HH2 ARG 90 -5.145 10.197 -14.585 704 H ARG 91 HN ARG 91 -2.119 10.767 -9.004 705 HA ARG 91 HA ARG 91 -1.414 11.549 -6.373 706 HE ARG 91 HE ARG 91 -3.421 13.135 -5.005 707 HB2 ARG 91 2HB ARG 91 -1.851 13.691 -8.219 708 HB3 ARG 91 1HB ARG 91 -3.173 13.675 -7.060 709 HG2 ARG 91 2HG ARG 91 -0.622 13.330 -5.753 710 HG3 ARG 91 1HG ARG 91 -0.664 14.803 -6.723 711 HD2 ARG 91 2HD ARG 91 -1.401 15.165 -4.402 712 HD3 ARG 91 1HD ARG 91 -2.651 15.550 -5.582 713 HH11 ARG 91 1HH1 ARG 91 -2.069 15.486 -2.770 714 HH12 ARG 91 2HH1 ARG 91 -2.983 14.899 -1.411 715 HH21 ARG 91 1HH2 ARG 91 -4.607 12.369 -3.224 716 HH22 ARG 91 2HH2 ARG 91 -4.419 13.118 -1.664 717 H PHE 92 HN PHE 92 -3.081 9.694 -8.068 718 HA PHE 92 HA PHE 92 -5.745 10.278 -6.986 719 HD1 PHE 92 1HD PHE 92 -8.071 10.285 -8.813 720 HD2 PHE 92 2HD PHE 92 -4.214 10.684 -10.558 721 HE1 PHE 92 1HE PHE 92 -8.866 12.215 -10.108 722 HE2 PHE 92 2HE PHE 92 -5.002 12.621 -11.859 723 HZ PHE 92 HZ PHE 92 -7.329 13.385 -11.635 724 HB2 PHE 92 2HB PHE 92 -4.832 8.686 -9.369 725 HB3 PHE 92 1HB PHE 92 -6.449 8.489 -8.698 726 HA PRO 93 HA PRO 93 -5.714 6.866 -4.198 727 HB2 PRO 93 2HB PRO 93 -8.397 6.132 -5.199 728 HB3 PRO 93 1HB PRO 93 -7.890 6.594 -3.570 729 HG2 PRO 93 2HG PRO 93 -9.330 8.251 -5.100 730 HG3 PRO 93 1HG PRO 93 -8.064 8.857 -4.017 731 HD2 PRO 93 2HD PRO 93 -7.996 8.451 -6.977 732 HD3 PRO 93 1HD PRO 93 -7.323 9.777 -6.005 733 H ALA 94 HN ALA 94 -4.723 4.983 -4.433 734 HA ALA 94 HA ALA 94 -5.684 2.918 -6.167 735 HB1 ALA 94 1HB ALA 94 -3.735 2.726 -7.592 736 HB2 ALA 94 2HB ALA 94 -2.999 4.133 -6.821 737 HB3 ALA 94 3HB ALA 94 -4.458 4.323 -7.794 738 H THR 95 HN THR 95 -4.588 0.946 -5.836 739 HA THR 95 HA THR 95 -3.089 0.842 -3.336 740 HB THR 95 HB THR 95 -4.088 -1.452 -5.039 741 HG1 THR 95 1HG THR 95 -5.359 0.160 -3.115 742 HG21 THR 95 3HG2 THR 95 -2.329 -2.031 -3.419 743 HG22 THR 95 1HG2 THR 95 -3.878 -2.750 -2.982 744 HG23 THR 95 2HG2 THR 95 -3.295 -1.324 -2.124 745 H LEU 96 HN LEU 96 -0.944 0.295 -3.261 746 HA LEU 96 HA LEU 96 0.435 0.141 -5.825 747 HG LEU 96 HG LEU 96 2.539 2.529 -3.952 748 HB2 LEU 96 2HB LEU 96 1.408 0.516 -3.000 749 HB3 LEU 96 1HB LEU 96 2.505 0.183 -4.325 750 HD11 LEU 96 1HD1 LEU 96 2.575 1.870 -6.284 751 HD12 LEU 96 2HD1 LEU 96 1.744 3.415 -6.090 752 HD13 LEU 96 3HD1 LEU 96 0.815 1.936 -6.349 753 HD21 LEU 96 3HD2 LEU 96 0.540 3.930 -4.013 754 HD22 LEU 96 1HD2 LEU 96 0.459 2.753 -2.703 755 HD23 LEU 96 2HD2 LEU 96 -0.468 2.493 -4.182 756 H VAL 97 HN VAL 97 1.166 -1.660 -6.658 757 HA VAL 97 HA VAL 97 0.719 -4.126 -5.159 758 HB VAL 97 HB VAL 97 1.419 -3.812 -8.084 759 HG11 VAL 97 1HG1 VAL 97 0.550 -6.107 -8.267 760 HG12 VAL 97 2HG1 VAL 97 0.316 -6.147 -6.518 761 HG13 VAL 97 3HG1 VAL 97 1.943 -6.015 -7.188 762 HG21 VAL 97 3HG2 VAL 97 -0.693 -2.710 -7.625 763 HG22 VAL 97 1HG2 VAL 97 -1.274 -4.134 -6.764 764 HG23 VAL 97 2HG2 VAL 97 -0.977 -4.215 -8.500 765 H PHE 98 HN PHE 98 2.393 -4.679 -3.940 766 HA PHE 98 HA PHE 98 5.059 -4.620 -5.178 767 HD1 PHE 98 2HD PHE 98 7.325 -3.560 -4.225 768 HD2 PHE 98 1HD PHE 98 3.781 -1.726 -2.764 769 HE1 PHE 98 2HE PHE 98 8.219 -1.373 -4.843 770 HE2 PHE 98 1HE PHE 98 4.665 0.485 -3.386 771 HZ PHE 98 HZ PHE 98 6.893 0.668 -4.425 772 HB2 PHE 98 2HB PHE 98 4.163 -4.009 -2.396 773 HB3 PHE 98 1HB PHE 98 5.765 -4.701 -2.643 774 H THR 99 HN THR 99 5.936 -6.473 -5.559 775 HA THR 99 HA THR 99 5.521 -8.717 -3.744 776 HB THR 99 HB THR 99 5.067 -10.334 -5.473 777 HG1 THR 99 1HG THR 99 6.038 -9.699 -7.281 778 HG21 THR 99 3HG2 THR 99 2.863 -9.623 -6.324 779 HG22 THR 99 1HG2 THR 99 3.214 -7.974 -5.808 780 HG23 THR 99 2HG2 THR 99 3.065 -9.262 -4.610 781 H ASP 100 HN ASP 100 7.240 -10.253 -3.883 782 HA ASP 100 HA ASP 100 9.358 -10.991 -4.276 783 HB2 ASP 100 2HB ASP 100 9.264 -9.310 -6.791 784 HB3 ASP 100 1HB ASP 100 10.372 -10.625 -6.455 785 H GLY 101 HN GLY 101 8.691 -8.219 -3.113 786 HA2 GLY 101 2HA GLY 101 9.872 -6.473 -2.199 787 HA3 GLY 101 1HA GLY 101 11.348 -7.317 -2.645 788 H LYS 102 HN LYS 102 9.019 -6.630 -5.122 789 HA LYS 102 HA LYS 102 10.500 -4.226 -5.925 790 HB2 LYS 102 2HB LYS 102 11.388 -6.330 -7.045 791 HB3 LYS 102 1HB LYS 102 9.841 -6.433 -7.874 792 HG2 LYS 102 2HG LYS 102 10.232 -4.457 -9.076 793 HG3 LYS 102 1HG LYS 102 11.566 -3.982 -8.020 794 HD2 LYS 102 2HD LYS 102 12.832 -5.963 -8.823 795 HD3 LYS 102 1HD LYS 102 11.522 -6.291 -9.960 796 HE2 LYS 102 2HE LYS 102 11.909 -4.226 -11.102 797 HE3 LYS 102 1HE LYS 102 13.060 -3.703 -9.870 798 HZ1 LYS 102 3HZ LYS 102 14.554 -5.446 -10.522 799 HZ2 LYS 102 1HZ LYS 102 14.137 -4.537 -11.895 800 HZ3 LYS 102 2HZ LYS 102 13.430 -6.058 -11.642 801 H LEU 103 HN LEU 103 9.351 -2.883 -7.460 802 HA LEU 103 HA LEU 103 6.538 -2.832 -6.847 803 HG LEU 103 HG LEU 103 5.936 -0.728 -9.238 804 HB2 LEU 103 2HB LEU 103 7.775 -0.754 -6.835 805 HB3 LEU 103 1HB LEU 103 8.267 -0.995 -8.500 806 HD11 LEU 103 1HD1 LEU 103 4.225 0.039 -7.671 807 HD12 LEU 103 2HD1 LEU 103 5.353 -0.182 -6.333 808 HD13 LEU 103 3HD1 LEU 103 4.803 -1.577 -7.261 809 HD21 LEU 103 3HD2 LEU 103 6.906 1.513 -7.468 810 HD22 LEU 103 1HD2 LEU 103 5.720 1.656 -8.764 811 HD23 LEU 103 2HD2 LEU 103 7.388 1.227 -9.141 812 H ARG 104 HN ARG 104 5.010 -3.752 -7.982 813 HA ARG 104 HA ARG 104 5.494 -4.578 -10.730 814 HE ARG 104 HE ARG 104 6.200 -8.514 -8.791 815 HB2 ARG 104 2HB ARG 104 3.128 -4.962 -8.889 816 HB3 ARG 104 1HB ARG 104 3.218 -5.590 -10.529 817 HG2 ARG 104 2HG ARG 104 5.099 -6.310 -8.292 818 HG3 ARG 104 1HG ARG 104 3.731 -7.283 -8.833 819 HD2 ARG 104 2HD ARG 104 4.753 -7.405 -11.075 820 HD3 ARG 104 1HD ARG 104 6.147 -6.515 -10.464 821 HH11 ARG 104 1HH1 ARG 104 5.417 -8.640 -12.198 822 HH12 ARG 104 2HH1 ARG 104 5.981 -10.267 -12.399 823 HH21 ARG 104 1HH2 ARG 104 6.956 -10.658 -9.049 824 HH22 ARG 104 2HH2 ARG 104 6.849 -11.407 -10.625 825 H GLY 105 HN GLY 105 3.630 -2.248 -8.904 826 HA2 GLY 105 2HA GLY 105 3.449 -0.189 -10.543 827 HA3 GLY 105 1HA GLY 105 2.301 -1.275 -11.314 828 H ALA 106 HN ALA 106 0.703 0.365 -10.879 829 HA ALA 106 HA ALA 106 -0.289 0.238 -8.108 830 HB1 ALA 106 1HB ALA 106 -1.143 2.514 -8.351 831 HB2 ALA 106 2HB ALA 106 -0.461 2.606 -9.974 832 HB3 ALA 106 3HB ALA 106 0.606 2.470 -8.577 833 H LEU 107 HN LEU 107 -2.672 0.576 -7.967 834 HA LEU 107 HA LEU 107 -3.986 -0.553 -10.348 835 HG LEU 107 HG LEU 107 -5.840 -3.005 -8.360 836 HB2 LEU 107 2HB LEU 107 -3.890 -1.641 -7.865 837 HB3 LEU 107 1HB LEU 107 -5.359 -0.699 -7.730 838 HD11 LEU 107 1HD1 LEU 107 -7.344 -1.265 -9.161 839 HD12 LEU 107 2HD1 LEU 107 -7.229 -2.591 -10.319 840 HD13 LEU 107 3HD1 LEU 107 -6.365 -1.082 -10.616 841 HD21 LEU 107 3HD2 LEU 107 -5.156 -3.858 -10.565 842 HD22 LEU 107 1HD2 LEU 107 -3.780 -3.555 -9.506 843 HD23 LEU 107 2HD2 LEU 107 -4.166 -2.419 -10.797 844 H SER 108 HN SER 108 -4.090 1.680 -11.120 845 HA SER 108 HA SER 108 -6.126 3.310 -9.779 846 HG SER 108 HG SER 108 -5.610 5.775 -10.259 847 HB2 SER 108 2HB SER 108 -3.931 4.356 -10.459 848 HB3 SER 108 1HB SER 108 -4.378 4.061 -12.139 849 H GLY 109 HN GLY 109 -8.136 2.982 -10.431 850 HA2 GLY 109 2HA GLY 109 -9.837 2.933 -12.131 851 HA3 GLY 109 1HA GLY 109 -8.643 2.259 -13.240 852 H ILE 110 HN ILE 110 -10.758 0.801 -13.333 853 HA ILE 110 HA ILE 110 -11.737 -1.217 -12.955 854 HB ILE 110 HB ILE 110 -9.028 -2.035 -11.888 855 HG12 ILE 110 2HG1 ILE 110 -8.794 -1.006 -14.101 856 HG13 ILE 110 1HG1 ILE 110 -8.533 -2.745 -14.200 857 HG21 ILE 110 1HG2 ILE 110 -11.255 -3.644 -13.132 858 HG22 ILE 110 2HG2 ILE 110 -10.798 -3.639 -11.428 859 HG23 ILE 110 3HG2 ILE 110 -9.682 -4.272 -12.637 860 HD11 ILE 110 3HD1 ILE 110 -9.846 -1.911 -16.071 861 HD12 ILE 110 1HD1 ILE 110 -11.070 -1.309 -14.952 862 HD13 ILE 110 2HD1 ILE 110 -10.774 -3.044 -15.088 863 H HIS 111 HN HIS 111 -13.200 -0.605 -11.366 864 HA HIS 111 HA HIS 111 -12.249 -0.663 -8.605 865 HD1 HIS 111 1HD HIS 111 -12.055 1.276 -7.206 866 HD2 HIS 111 2HD HIS 111 -16.192 0.827 -7.080 867 HE1 HIS 111 1HE HIS 111 -12.742 1.938 -4.875 868 HE2 HIS 111 2HE HIS 111 -15.267 1.851 -4.882 869 HB2 HIS 111 2HB HIS 111 -13.570 1.292 -9.636 870 HB3 HIS 111 1HB HIS 111 -14.982 0.259 -9.427 871 HA PRO 112 HA PRO 112 -15.888 -3.797 -8.355 872 HB2 PRO 112 2HB PRO 112 -16.489 -4.575 -11.110 873 HB3 PRO 112 1HB PRO 112 -17.587 -4.041 -9.836 874 HG2 PRO 112 2HG PRO 112 -17.041 -2.521 -11.996 875 HG3 PRO 112 1HG PRO 112 -17.371 -1.819 -10.398 876 HD2 PRO 112 2HD PRO 112 -14.738 -2.289 -11.758 877 HD3 PRO 112 1HD PRO 112 -15.294 -0.866 -10.849 878 H TRP 113 HN TRP 113 -15.953 -6.164 -8.643 879 HA TRP 113 HA TRP 113 -13.298 -7.193 -8.930 880 HD1 TRP 113 1HD TRP 113 -14.079 -11.111 -8.764 881 HE1 TRP 113 1HE TRP 113 -12.194 -12.007 -7.256 882 HE3 TRP 113 3HE TRP 113 -13.361 -6.987 -5.838 883 HZ2 TRP 113 2HZ TRP 113 -10.606 -11.079 -5.111 884 HZ3 TRP 113 3HZ TRP 113 -11.643 -7.070 -4.080 885 HH2 TRP 113 2HH TRP 113 -10.295 -9.074 -3.726 886 HB2 TRP 113 2HB TRP 113 -15.359 -7.870 -7.360 887 HB3 TRP 113 1HB TRP 113 -15.631 -9.021 -8.661 888 H ALA 114 HN ALA 114 -13.804 -9.754 -9.950 889 HA ALA 114 HA ALA 114 -13.753 -10.959 -11.859 890 HB1 ALA 114 1HB ALA 114 -15.530 -8.809 -13.012 891 HB2 ALA 114 2HB ALA 114 -16.081 -10.253 -12.164 892 HB3 ALA 114 3HB ALA 114 -15.240 -10.404 -13.707 893 H GLU 115 HN GLU 115 -13.827 -7.625 -13.096 894 HA GLU 115 HA GLU 115 -11.811 -8.096 -15.034 895 HB2 GLU 115 2HB GLU 115 -12.862 -5.508 -13.871 896 HB3 GLU 115 1HB GLU 115 -11.775 -5.603 -15.249 897 HG2 GLU 115 2HG GLU 115 -13.451 -6.840 -16.503 898 HG3 GLU 115 1HG GLU 115 -14.540 -6.784 -15.118 899 H LEU 116 HN LEU 116 -11.781 -6.884 -11.753 900 HA LEU 116 HA LEU 116 -9.199 -5.809 -11.653 901 HG LEU 116 HG LEU 116 -8.975 -4.599 -9.557 902 HB2 LEU 116 2HB LEU 116 -11.184 -5.784 -9.943 903 HB3 LEU 116 1HB LEU 116 -10.428 -7.232 -9.314 904 HD11 LEU 116 1HD1 LEU 116 -10.890 -4.307 -8.093 905 HD12 LEU 116 2HD1 LEU 116 -9.392 -4.325 -7.158 906 HD13 LEU 116 3HD1 LEU 116 -10.434 -5.749 -7.185 907 HD21 LEU 116 3HD2 LEU 116 -7.452 -5.590 -7.932 908 HD22 LEU 116 1HD2 LEU 116 -7.546 -6.580 -9.389 909 HD23 LEU 116 2HD2 LEU 116 -8.405 -7.075 -7.928 910 H LEU 117 HN LEU 117 -10.347 -9.112 -11.194 911 HA LEU 117 HA LEU 117 -7.987 -10.253 -10.230 912 HG LEU 117 HG LEU 117 -10.989 -10.811 -9.739 913 HB2 LEU 117 2HB LEU 117 -10.154 -11.450 -11.953 914 HB3 LEU 117 1HB LEU 117 -8.871 -12.382 -11.208 915 HD11 LEU 117 1HD1 LEU 117 -11.862 -12.822 -10.805 916 HD12 LEU 117 2HD1 LEU 117 -11.804 -13.011 -9.051 917 HD13 LEU 117 3HD1 LEU 117 -10.582 -13.783 -10.062 918 HD21 LEU 117 3HD2 LEU 117 -10.057 -11.901 -7.731 919 HD22 LEU 117 1HD2 LEU 117 -8.910 -10.804 -8.502 920 HD23 LEU 117 2HD2 LEU 117 -8.745 -12.547 -8.719 921 H THR 118 HN THR 118 -9.193 -10.201 -13.585 922 HA THR 118 HA THR 118 -6.873 -11.338 -14.698 923 HB THR 118 HB THR 118 -8.937 -9.599 -16.058 924 HG1 THR 118 1HG THR 118 -10.104 -11.451 -16.299 925 HG21 THR 118 3HG2 THR 118 -8.282 -10.796 -18.093 926 HG22 THR 118 1HG2 THR 118 -7.047 -11.671 -17.186 927 HG23 THR 118 2HG2 THR 118 -6.909 -9.926 -17.406 928 H LEU 119 HN LEU 119 -7.853 -7.963 -14.220 929 HA LEU 119 HA LEU 119 -5.798 -6.778 -15.729 930 HG LEU 119 HG LEU 119 -7.155 -3.511 -14.675 931 HB2 LEU 119 2HB LEU 119 -7.925 -5.744 -14.703 932 HB3 LEU 119 1HB LEU 119 -6.985 -5.572 -13.240 933 HD11 LEU 119 1HD1 LEU 119 -4.392 -4.576 -14.128 934 HD12 LEU 119 2HD1 LEU 119 -5.419 -3.693 -12.999 935 HD13 LEU 119 3HD1 LEU 119 -4.796 -2.889 -14.440 936 HD21 LEU 119 3HD2 LEU 119 -5.336 -5.095 -16.480 937 HD22 LEU 119 1HD2 LEU 119 -5.689 -3.373 -16.630 938 HD23 LEU 119 2HD2 LEU 119 -6.974 -4.559 -16.853 939 H MET 120 HN MET 120 -6.014 -7.448 -12.239 940 HA MET 120 HA MET 120 -3.378 -6.546 -11.696 941 HB2 MET 120 2HB MET 120 -5.195 -6.705 -10.007 942 HB3 MET 120 1HB MET 120 -5.048 -8.457 -10.061 943 HG2 MET 120 2HG MET 120 -2.837 -8.372 -9.177 944 HG3 MET 120 1HG MET 120 -2.786 -6.618 -9.330 945 HE1 MET 120 3HE MET 120 -2.800 -7.126 -5.447 946 HE2 MET 120 1HE MET 120 -1.987 -6.353 -6.809 947 HE3 MET 120 2HE MET 120 -1.978 -8.109 -6.657 948 H ARG 121 HN ARG 121 -4.714 -9.751 -12.410 949 HA ARG 121 HA ARG 121 -2.445 -11.281 -11.863 950 HE ARG 121 HE ARG 121 -5.573 -14.700 -10.460 951 HB2 ARG 121 2HB ARG 121 -4.828 -11.602 -13.631 952 HB3 ARG 121 1HB ARG 121 -3.513 -12.750 -13.735 953 HG2 ARG 121 2HG ARG 121 -3.779 -13.332 -11.408 954 HG3 ARG 121 1HG ARG 121 -5.037 -12.102 -11.229 955 HD2 ARG 121 2HD ARG 121 -6.438 -13.268 -12.825 956 HD3 ARG 121 1HD ARG 121 -5.172 -14.462 -13.099 957 HH11 ARG 121 1HH1 ARG 121 -7.798 -14.577 -13.169 958 HH12 ARG 121 2HH1 ARG 121 -8.997 -15.578 -12.399 959 HH21 ARG 121 1HH2 ARG 121 -7.150 -16.025 -9.437 960 HH22 ARG 121 2HH2 ARG 121 -8.613 -16.429 -10.292 961 H SER 122 HN SER 122 -3.393 -9.473 -14.726 962 HA SER 122 HA SER 122 -1.484 -10.439 -16.517 963 HG SER 122 HG SER 122 -1.530 -9.194 -18.495 964 HB2 SER 122 2HB SER 122 -3.429 -8.977 -17.101 965 HB3 SER 122 1HB SER 122 -2.576 -7.616 -16.374 966 H ILE 123 HN ILE 123 -1.217 -8.149 -13.905 967 HA ILE 123 HA ILE 123 1.417 -7.248 -14.715 968 HB ILE 123 HB ILE 123 -0.086 -6.662 -12.159 969 HG12 ILE 123 2HG1 ILE 123 0.076 -5.025 -14.701 970 HG13 ILE 123 1HG1 ILE 123 -1.329 -5.958 -14.195 971 HG21 ILE 123 1HG2 ILE 123 2.305 -6.253 -11.998 972 HG22 ILE 123 2HG2 ILE 123 1.414 -4.730 -12.011 973 HG23 ILE 123 3HG2 ILE 123 2.249 -5.276 -13.465 974 HD11 ILE 123 3HD1 ILE 123 -1.550 -4.548 -12.215 975 HD12 ILE 123 1HD1 ILE 123 -1.613 -3.601 -13.700 976 HD13 ILE 123 2HD1 ILE 123 -0.143 -3.615 -12.725 977 H VAL 124 HN VAL 124 -0.042 -9.277 -12.205 978 HA VAL 124 HA VAL 124 2.614 -9.950 -11.157 979 HB VAL 124 HB VAL 124 1.414 -11.072 -9.321 980 HG11 VAL 124 1HG1 VAL 124 0.482 -9.078 -8.262 981 HG12 VAL 124 2HG1 VAL 124 0.456 -8.258 -9.823 982 HG13 VAL 124 3HG1 VAL 124 1.995 -8.716 -9.094 983 HG21 VAL 124 3HG2 VAL 124 -1.023 -10.807 -9.097 984 HG22 VAL 124 1HG2 VAL 124 -0.584 -11.789 -10.495 985 HG23 VAL 124 2HG2 VAL 124 -1.081 -10.111 -10.717 986 H ASP 125 HN ASP 125 1.862 -10.906 -13.742 987 HA ASP 125 HA ASP 125 0.758 -13.477 -13.748 988 HB2 ASP 125 2HB ASP 125 0.953 -12.090 -15.764 989 HB3 ASP 125 1HB ASP 125 2.706 -12.261 -15.717 990 H THR 126 HN THR 126 4.182 -12.468 -13.742 991 HA THR 126 HA THR 126 4.845 -15.198 -12.851 992 HB THR 126 HB THR 126 7.116 -14.723 -14.016 993 HG1 THR 126 1HG THR 126 5.571 -13.224 -15.827 994 HG21 THR 126 3HG2 THR 126 6.289 -15.688 -16.111 995 HG22 THR 126 1HG2 THR 126 4.634 -15.305 -15.635 996 HG23 THR 126 2HG2 THR 126 5.568 -16.481 -14.710 997 HA PRO 127 HA PRO 127 6.842 -13.192 -9.372 998 HB2 PRO 127 2HB PRO 127 8.344 -15.743 -9.279 999 HB3 PRO 127 1HB PRO 127 7.379 -14.960 -8.023 1000 HG2 PRO 127 2HG PRO 127 6.488 -17.140 -9.278 1001 HG3 PRO 127 1HG PRO 127 5.387 -15.825 -8.826 1002 HD2 PRO 127 2HD PRO 127 6.560 -16.480 -11.504 1003 HD3 PRO 127 1HD PRO 127 4.918 -15.938 -11.092 1004 H ALA 128 HN ALA 128 9.096 -12.703 -8.719 1005 HA ALA 128 HA ALA 128 11.015 -12.880 -10.931 1006 HB1 ALA 128 1HB ALA 128 11.452 -10.473 -10.866 1007 HB2 ALA 128 2HB ALA 128 10.156 -10.269 -9.685 1008 HB3 ALA 128 3HB ALA 128 9.781 -10.810 -11.321 1009 H ALA 129 HN ALA 129 12.934 -11.210 -9.996 1010 HA ALA 129 HA ALA 129 13.512 -12.095 -7.257 1011 HB1 ALA 129 1HB ALA 129 14.797 -13.486 -8.807 1012 HB2 ALA 129 2HB ALA 129 15.854 -12.436 -7.864 1013 HB3 ALA 129 3HB ALA 129 15.485 -12.038 -9.541 1014 H GLN 130 HN GLN 130 14.379 -10.569 -5.947 1015 HA GLN 130 HA GLN 130 14.243 -7.852 -6.928 1016 HB2 GLN 130 2HB GLN 130 14.513 -7.206 -4.584 1017 HB3 GLN 130 1HB GLN 130 13.242 -8.407 -4.771 1018 HG2 GLN 130 2HG GLN 130 14.876 -10.149 -4.083 1019 HG3 GLN 130 1HG GLN 130 16.031 -8.862 -3.745 1020 HE21 GLN 130 1HE2 GLN 130 12.583 -8.643 -3.172 1021 HE22 GLN 130 2HE2 GLN 130 12.689 -8.603 -1.442 1022 H GLU 131 HN GLU 131 15.889 -6.291 -6.677 1023 HA GLU 131 HA GLU 131 18.435 -7.020 -7.542 1024 HB2 GLU 131 2HB GLU 131 17.469 -4.523 -6.140 1025 HB3 GLU 131 1HB GLU 131 19.093 -4.692 -6.786 1026 HG2 GLU 131 2HG GLU 131 17.672 -3.451 -8.305 1027 HG3 GLU 131 1HG GLU 131 18.191 -4.971 -9.028 1028 H THR 132 HN THR 132 17.143 -6.616 -4.330 1029 HA THR 132 HA THR 132 17.893 -7.147 -2.270 1030 HB THR 132 HB THR 132 20.126 -8.617 -3.686 1031 HG1 THR 132 1HG THR 132 18.131 -9.441 -4.331 1032 HG21 THR 132 3HG2 THR 132 18.999 -8.914 -0.894 1033 HG22 THR 132 1HG2 THR 132 20.577 -8.241 -1.310 1034 HG23 THR 132 2HG2 THR 132 20.233 -9.942 -1.622 1035 H VAL 133 HN VAL 133 18.300 -4.919 -1.972 1036 HA VAL 133 HA VAL 133 21.098 -4.464 -1.328 1037 HB VAL 133 HB VAL 133 20.934 -3.335 -3.435 1038 HG11 VAL 133 1HG1 VAL 133 18.482 -1.965 -2.351 1039 HG12 VAL 133 2HG1 VAL 133 18.552 -3.126 -3.677 1040 HG13 VAL 133 3HG1 VAL 133 19.297 -1.537 -3.854 1041 HG21 VAL 133 3HG2 VAL 133 20.768 -1.343 -1.180 1042 HG22 VAL 133 1HG2 VAL 133 21.399 -1.008 -2.792 1043 HG23 VAL 133 2HG2 VAL 133 22.218 -2.170 -1.747 1044 H GLN 134 HN GLN 134 20.610 -4.780 0.788 1045 HA GLN 134 HA GLN 134 18.722 -2.862 1.979 1046 HB2 GLN 134 2HB GLN 134 18.474 -4.567 3.832 1047 HB3 GLN 134 1HB GLN 134 17.779 -5.013 2.282 1048 HG2 GLN 134 2HG GLN 134 19.696 -6.435 1.814 1049 HG3 GLN 134 1HG GLN 134 20.435 -5.953 3.340 1050 HE21 GLN 134 1HE2 GLN 134 19.594 -6.710 5.265 1051 HE22 GLN 134 2HE2 GLN 134 18.507 -8.061 5.337 1052 H LEU 135 HN LEU 135 20.169 -1.268 2.444 1053 HA LEU 135 HA LEU 135 22.448 -1.930 4.143 1054 HG LEU 135 HG LEU 135 24.188 1.121 2.983 1055 HB2 LEU 135 2HB LEU 135 22.495 -0.317 2.107 1056 HB3 LEU 135 1HB LEU 135 21.726 0.827 3.186 1057 HD11 LEU 135 1HD1 LEU 135 23.263 0.363 5.750 1058 HD12 LEU 135 2HD1 LEU 135 23.018 1.926 4.972 1059 HD13 LEU 135 3HD1 LEU 135 24.650 1.378 5.355 1060 HD21 LEU 135 3HD2 LEU 135 25.669 -0.479 4.082 1061 HD22 LEU 135 1HD2 LEU 135 24.810 -1.217 2.731 1062 HD23 LEU 135 2HD2 LEU 135 24.296 -1.544 4.385 1063 H GLU 136 HN GLU 136 21.671 -2.323 6.132 1064 HA GLU 136 HA GLU 136 19.933 -0.290 7.366 1065 HB2 GLU 136 2HB GLU 136 20.465 -3.121 8.307 1066 HB3 GLU 136 1HB GLU 136 19.298 -1.993 8.982 1067 HG2 GLU 136 2HG GLU 136 18.015 -2.052 6.921 1068 HG3 GLU 136 1HG GLU 136 19.203 -3.141 6.204 1069 H HIS 137 HN HIS 137 20.538 0.583 9.383 1070 HA HIS 137 HA HIS 137 23.281 -0.073 10.215 1071 HD1 HIS 137 1HD HIS 137 20.945 3.557 8.703 1072 HD2 HIS 137 2HD HIS 137 22.448 3.494 12.579 1073 HE1 HIS 137 1HE HIS 137 19.684 5.335 9.951 1074 HE2 HIS 137 2HE HIS 137 20.816 5.460 12.203 1075 HB2 HIS 137 2HB HIS 137 23.876 2.185 10.506 1076 HB3 HIS 137 1HB HIS 137 23.057 2.141 8.953 1077 H HIS 138 HN HIS 138 23.753 0.171 12.436 1078 HA HIS 138 HA HIS 138 21.391 -0.001 14.149 1079 HD1 HIS 138 1HD HIS 138 21.683 -2.815 15.728 1080 HD2 HIS 138 2HD HIS 138 24.643 -2.379 12.836 1081 HE1 HIS 138 1HE HIS 138 21.902 -5.070 14.633 1082 HE2 HIS 138 2HE HIS 138 23.826 -4.831 13.020 1083 HB2 HIS 138 2HB HIS 138 24.325 -0.377 14.809 1084 HB3 HIS 138 1HB HIS 138 22.991 -0.637 15.925 1085 H HIS 139 HN HIS 139 24.561 1.509 14.714 1086 HA HIS 139 HA HIS 139 23.288 4.126 14.864 1087 HD1 HIS 139 1HD HIS 139 22.979 1.797 18.512 1088 HD2 HIS 139 2HD HIS 139 21.738 5.388 16.829 1089 HE1 HIS 139 1HE HIS 139 20.650 2.188 19.381 1090 HE2 HIS 139 2HE HIS 139 19.848 4.249 18.178 1091 HB2 HIS 139 2HB HIS 139 24.750 2.841 17.165 1092 HB3 HIS 139 1HB HIS 139 24.618 4.587 17.010 1093 H HIS 140 HN HIS 140 24.458 4.664 13.004 1094 HA HIS 140 HA HIS 140 27.337 4.590 13.024 1095 HD1 HIS 140 1HD HIS 140 28.684 4.111 10.910 1096 HD2 HIS 140 2HD HIS 140 27.269 7.885 9.881 1097 HE1 HIS 140 1HE HIS 140 30.517 5.178 9.556 1098 HE2 HIS 140 2HE HIS 140 29.561 7.375 8.786 1099 HB2 HIS 140 2HB HIS 140 25.895 4.591 10.927 1100 HB3 HIS 140 1HB HIS 140 25.571 6.290 11.249 1101 H HIS 141 HN HIS 141 24.788 6.756 13.861 1102 HA HIS 141 HA HIS 141 26.228 8.036 15.856 1103 HD1 HIS 141 1HD HIS 141 25.363 12.085 14.830 1104 HD2 HIS 141 2HD HIS 141 28.443 9.787 16.428 1105 HE1 HIS 141 1HE HIS 141 26.384 13.486 16.651 1106 HE2 HIS 141 2HE HIS 141 28.364 12.156 17.463 1107 HB2 HIS 141 2HB HIS 141 27.271 9.175 13.794 1108 HB3 HIS 141 1HB HIS 141 25.703 9.949 13.580 1109 H HIS 142 HN HIS 142 23.654 8.169 13.488 1110 HA HIS 142 HA HIS 142 21.725 8.198 15.618 1111 HD1 HIS 142 1HD HIS 142 19.399 11.014 12.916 1112 HD2 HIS 142 2HD HIS 142 23.506 10.617 12.396 1113 HE1 HIS 142 1HE HIS 142 19.876 11.887 10.606 1114 HE2 HIS 142 2HE HIS 142 22.388 11.828 10.391 1115 HB2 HIS 142 2HB HIS 142 20.470 10.120 14.918 1116 HB3 HIS 142 1HB HIS 142 22.134 10.643 15.125 Start of MODEL 2 1 HA MET 1 HA MET 1 6.691 5.146 9.468 2 H1 MET 1 1HT MET 1 8.169 5.366 11.334 3 H2 MET 1 2HT MET 1 6.944 6.072 12.264 4 H3 MET 1 3HT MET 1 7.534 6.877 10.889 5 HB2 MET 1 2HB MET 1 5.752 3.990 12.092 6 HB3 MET 1 1HB MET 1 5.011 3.555 10.558 7 HG2 MET 1 2HG MET 1 6.616 1.886 11.133 8 HG3 MET 1 1HG MET 1 7.220 2.797 9.753 9 HE1 MET 1 3HE MET 1 7.629 1.950 13.533 10 HE2 MET 1 1HE MET 1 7.196 3.658 13.622 11 HE3 MET 1 2HE MET 1 8.821 3.136 14.068 12 H ALA 2 HN ALA 2 4.787 6.082 12.346 13 HA ALA 2 HA ALA 2 2.661 7.054 10.632 14 HB1 ALA 2 1HB ALA 2 2.134 5.879 12.724 15 HB2 ALA 2 2HB ALA 2 1.470 7.512 12.704 16 HB3 ALA 2 3HB ALA 2 2.926 7.164 13.637 17 H ASN 3 HN ASN 3 2.013 9.191 10.440 18 HA ASN 3 HA ASN 3 3.903 11.252 10.507 19 HB2 ASN 3 2HB ASN 3 1.670 11.180 9.262 20 HB3 ASN 3 1HB ASN 3 0.909 11.618 10.786 21 HD21 ASN 3 1HD2 ASN 3 0.926 13.045 8.276 22 HD22 ASN 3 2HD2 ASN 3 1.634 14.599 8.607 23 H ASP 4 HN ASP 4 1.184 10.608 12.668 24 HA ASP 4 HA ASP 4 2.595 10.808 15.063 25 HB2 ASP 4 2HB ASP 4 2.668 13.259 14.423 26 HB3 ASP 4 1HB ASP 4 0.909 13.272 14.543 27 H THR 5 HN THR 5 -0.470 11.753 13.616 28 HA THR 5 HA THR 5 -2.615 11.115 13.920 29 HB THR 5 HB THR 5 -1.513 8.521 15.004 30 HG1 THR 5 1HG THR 5 -1.922 9.249 12.263 31 HG21 THR 5 3HG2 THR 5 -3.504 7.565 13.920 32 HG22 THR 5 1HG2 THR 5 -4.006 9.182 13.426 33 HG23 THR 5 2HG2 THR 5 -3.944 8.764 15.138 34 HA PRO 6 HA PRO 6 -2.601 11.925 18.490 35 HB2 PRO 6 2HB PRO 6 -3.770 14.501 17.915 36 HB3 PRO 6 1HB PRO 6 -2.225 14.146 18.689 37 HG2 PRO 6 2HG PRO 6 -2.465 15.303 16.217 38 HG3 PRO 6 1HG PRO 6 -1.056 14.364 16.741 39 HD2 PRO 6 2HD PRO 6 -3.357 13.531 15.017 40 HD3 PRO 6 1HD PRO 6 -1.630 13.141 14.862 41 H PHE 7 HN PHE 7 -5.009 13.421 16.322 42 HA PHE 7 HA PHE 7 -7.099 11.911 17.733 43 HD1 PHE 7 2HD PHE 7 -9.485 12.553 18.652 44 HD2 PHE 7 1HD PHE 7 -8.850 15.576 15.731 45 HE1 PHE 7 2HE PHE 7 -11.906 12.636 18.218 46 HE2 PHE 7 1HE PHE 7 -11.267 15.668 15.289 47 HZ PHE 7 HZ PHE 7 -12.799 14.196 16.532 48 HB2 PHE 7 2HB PHE 7 -7.362 14.119 18.538 49 HB3 PHE 7 1HB PHE 7 -7.059 14.823 16.954 50 H SER 8 HN SER 8 -7.733 10.420 16.329 51 HA SER 8 HA SER 8 -9.363 11.146 14.173 52 HG SER 8 HG SER 8 -8.293 11.033 11.364 53 HB2 SER 8 2HB SER 8 -7.172 11.589 13.048 54 HB3 SER 8 1HB SER 8 -6.756 9.890 13.275 55 H ALA 9 HN ALA 9 -10.792 9.727 15.066 56 HA ALA 9 HA ALA 9 -10.101 7.020 15.694 57 HB1 ALA 9 1HB ALA 9 -11.878 8.219 16.890 58 HB2 ALA 9 2HB ALA 9 -12.473 6.731 16.154 59 HB3 ALA 9 3HB ALA 9 -12.822 8.287 15.402 60 H LEU 10 HN LEU 10 -11.415 8.707 12.944 61 HA LEU 10 HA LEU 10 -12.443 6.487 11.535 62 HG LEU 10 HG LEU 10 -11.800 7.397 8.673 63 HB2 LEU 10 2HB LEU 10 -12.996 8.847 11.037 64 HB3 LEU 10 1HB LEU 10 -11.364 9.089 10.447 65 HD11 LEU 10 1HD1 LEU 10 -13.554 6.139 9.790 66 HD12 LEU 10 2HD1 LEU 10 -14.110 6.732 8.225 67 HD13 LEU 10 3HD1 LEU 10 -14.626 7.536 9.707 68 HD21 LEU 10 3HD2 LEU 10 -12.032 9.786 8.215 69 HD22 LEU 10 1HD2 LEU 10 -13.715 9.727 8.736 70 HD23 LEU 10 2HD2 LEU 10 -13.206 8.843 7.298 71 H TRP 11 HN TRP 11 -9.274 8.046 11.576 72 HA TRP 11 HA TRP 11 -8.161 6.427 9.511 73 HD1 TRP 11 1HD TRP 11 -4.734 6.867 12.225 74 HE1 TRP 11 1HE TRP 11 -2.644 6.233 10.881 75 HE3 TRP 11 3HE TRP 11 -6.449 7.901 7.527 76 HZ2 TRP 11 2HZ TRP 11 -1.815 6.186 8.182 77 HZ3 TRP 11 3HZ TRP 11 -4.942 7.543 5.617 78 HH2 TRP 11 2HH TRP 11 -2.673 6.704 5.938 79 HB2 TRP 11 2HB TRP 11 -7.203 8.589 9.951 80 HB3 TRP 11 1HB TRP 11 -6.920 8.181 11.638 81 H GLN 12 HN GLN 12 -7.797 6.444 13.042 82 HA GLN 12 HA GLN 12 -6.078 4.326 13.377 83 HB2 GLN 12 2HB GLN 12 -6.775 5.831 15.171 84 HB3 GLN 12 1HB GLN 12 -8.386 5.133 15.151 85 HG2 GLN 12 2HG GLN 12 -7.410 2.963 15.808 86 HG3 GLN 12 1HG GLN 12 -5.834 3.741 15.926 87 HE21 GLN 12 1HE2 GLN 12 -5.432 5.150 17.627 88 HE22 GLN 12 2HE2 GLN 12 -6.454 5.239 19.016 89 H ARG 13 HN ARG 13 -9.537 4.176 12.702 90 HA ARG 13 HA ARG 13 -9.904 1.501 13.554 91 HE ARG 13 HE ARG 13 -12.936 3.763 8.884 92 HB2 ARG 13 2HB ARG 13 -12.061 1.602 12.659 93 HB3 ARG 13 1HB ARG 13 -11.713 3.258 13.121 94 HG2 ARG 13 2HG ARG 13 -11.241 3.831 10.814 95 HG3 ARG 13 1HG ARG 13 -11.506 2.155 10.329 96 HD2 ARG 13 2HD ARG 13 -13.830 2.346 11.234 97 HD3 ARG 13 1HD ARG 13 -13.529 4.066 11.482 98 HH11 ARG 13 1HH1 ARG 13 -15.699 2.785 10.799 99 HH12 ARG 13 2HH1 ARG 13 -16.813 2.841 9.457 100 HH21 ARG 13 1HH2 ARG 13 -14.406 3.842 7.111 101 HH22 ARG 13 2HH2 ARG 13 -16.071 3.428 7.359 102 H LEU 14 HN LEU 14 -8.666 2.871 10.597 103 HA LEU 14 HA LEU 14 -8.879 0.454 9.064 104 HG LEU 14 HG LEU 14 -8.471 3.034 6.474 105 HB2 LEU 14 2HB LEU 14 -7.409 3.038 8.714 106 HB3 LEU 14 1HB LEU 14 -6.973 1.664 7.722 107 HD11 LEU 14 1HD1 LEU 14 -10.327 1.486 6.050 108 HD12 LEU 14 2HD1 LEU 14 -9.917 0.609 7.524 109 HD13 LEU 14 3HD1 LEU 14 -8.776 0.656 6.181 110 HD21 LEU 14 3HD2 LEU 14 -10.345 2.842 8.824 111 HD22 LEU 14 1HD2 LEU 14 -10.745 3.544 7.256 112 HD23 LEU 14 2HD2 LEU 14 -9.500 4.284 8.260 113 H LEU 15 HN LEU 15 -6.486 1.903 11.159 114 HA LEU 15 HA LEU 15 -4.285 0.296 10.402 115 HG LEU 15 HG LEU 15 -4.898 3.347 11.248 116 HB2 LEU 15 2HB LEU 15 -4.765 1.689 13.034 117 HB3 LEU 15 1HB LEU 15 -3.219 1.132 12.424 118 HD11 LEU 15 1HD1 LEU 15 -2.268 3.404 12.719 119 HD12 LEU 15 2HD1 LEU 15 -3.822 3.946 13.351 120 HD13 LEU 15 3HD1 LEU 15 -3.082 4.791 11.993 121 HD21 LEU 15 3HD2 LEU 15 -2.987 3.736 9.772 122 HD22 LEU 15 1HD2 LEU 15 -3.691 2.140 9.511 123 HD23 LEU 15 2HD2 LEU 15 -2.191 2.304 10.425 124 H THR 16 HN THR 16 -6.955 -0.241 12.532 125 HA THR 16 HA THR 16 -5.796 -1.978 14.380 126 HB THR 16 HB THR 16 -8.086 -0.870 14.519 127 HG1 THR 16 1HG THR 16 -8.768 -2.459 15.942 128 HG21 THR 16 3HG2 THR 16 -9.993 -2.235 13.774 129 HG22 THR 16 1HG2 THR 16 -8.880 -3.336 12.965 130 HG23 THR 16 2HG2 THR 16 -9.026 -1.668 12.414 131 H ARG 17 HN ARG 17 -6.761 -2.583 11.093 132 HA ARG 17 HA ARG 17 -7.003 -5.432 11.388 133 HE ARG 17 HE ARG 17 -11.111 -3.479 8.761 134 HB2 ARG 17 2HB ARG 17 -6.751 -3.693 8.933 135 HB3 ARG 17 1HB ARG 17 -6.999 -5.430 8.883 136 HG2 ARG 17 2HG ARG 17 -9.109 -5.077 10.183 137 HG3 ARG 17 1HG ARG 17 -8.877 -3.342 9.949 138 HD2 ARG 17 2HD ARG 17 -8.895 -3.668 7.525 139 HD3 ARG 17 1HD ARG 17 -9.116 -5.401 7.755 140 HH11 ARG 17 1HH1 ARG 17 -10.264 -6.290 6.845 141 HH12 ARG 17 2HH1 ARG 17 -11.898 -6.605 6.341 142 HH21 ARG 17 1HH2 ARG 17 -13.263 -3.918 8.144 143 HH22 ARG 17 2HH2 ARG 17 -13.614 -5.278 7.118 144 H GLY 18 HN GLY 18 -4.371 -3.599 11.742 145 HA2 GLY 18 2HA GLY 18 -2.189 -4.518 11.980 146 HA3 GLY 18 1HA GLY 18 -2.610 -5.749 10.796 147 H TRP 19 HN TRP 19 -3.305 -2.382 10.352 148 HA TRP 19 HA TRP 19 -1.590 -2.388 7.985 149 HD1 TRP 19 1HD TRP 19 -3.577 -3.914 7.966 150 HE1 TRP 19 1HE TRP 19 -5.437 -4.710 6.386 151 HE3 TRP 19 3HE TRP 19 -5.217 0.627 6.302 152 HZ2 TRP 19 2HZ TRP 19 -7.349 -3.563 4.652 153 HZ3 TRP 19 3HZ TRP 19 -7.060 0.692 4.678 154 HH2 TRP 19 2HH TRP 19 -8.098 -1.359 3.867 155 HB2 TRP 19 2HB TRP 19 -3.821 -0.538 8.854 156 HB3 TRP 19 1HB TRP 19 -2.860 -0.308 7.399 157 H GLN 20 HN GLN 20 0.170 -1.184 7.820 158 HA GLN 20 HA GLN 20 0.991 0.357 10.157 159 HB2 GLN 20 2HB GLN 20 2.480 -0.899 7.861 160 HB3 GLN 20 1HB GLN 20 3.233 0.258 8.933 161 HG2 GLN 20 2HG GLN 20 3.854 -1.838 9.754 162 HG3 GLN 20 1HG GLN 20 2.588 -1.268 10.836 163 HE21 GLN 20 1HE2 GLN 20 1.963 -2.514 7.631 164 HE22 GLN 20 2HE2 GLN 20 1.166 -3.958 8.146 165 HA PRO 21 HA PRO 21 0.484 4.090 7.647 166 HB2 PRO 21 2HB PRO 21 1.324 5.775 9.626 167 HB3 PRO 21 1HB PRO 21 -0.336 5.184 9.498 168 HG2 PRO 21 2HG PRO 21 1.884 4.243 11.260 169 HG3 PRO 21 1HG PRO 21 0.162 4.436 11.631 170 HD2 PRO 21 2HD PRO 21 1.300 2.028 11.092 171 HD3 PRO 21 1HD PRO 21 -0.393 2.403 10.704 172 H VAL 22 HN VAL 22 2.050 4.949 6.347 173 HA VAL 22 HA VAL 22 4.830 4.553 7.227 174 HB VAL 22 HB VAL 22 5.429 4.116 4.835 175 HG11 VAL 22 1HG1 VAL 22 3.505 2.155 6.086 176 HG12 VAL 22 2HG1 VAL 22 5.217 2.311 6.482 177 HG13 VAL 22 3HG1 VAL 22 4.730 1.785 4.870 178 HG21 VAL 22 3HG2 VAL 22 3.616 3.358 3.334 179 HG22 VAL 22 1HG2 VAL 22 3.490 5.069 3.742 180 HG23 VAL 22 2HG2 VAL 22 2.433 3.895 4.525 181 H GLU 23 HN GLU 23 6.405 5.759 5.938 182 HA GLU 23 HA GLU 23 5.492 8.484 5.285 183 HB2 GLU 23 2HB GLU 23 8.129 7.615 6.497 184 HB3 GLU 23 1HB GLU 23 7.684 9.263 6.088 185 HG2 GLU 23 2HG GLU 23 6.129 9.396 7.824 186 HG3 GLU 23 1HG GLU 23 6.108 7.647 8.056 187 H ALA 24 HN ALA 24 7.347 9.576 3.909 188 HA ALA 24 HA ALA 24 7.727 7.994 1.565 189 HB1 ALA 24 1HB ALA 24 7.427 10.434 1.482 190 HB2 ALA 24 2HB ALA 24 8.911 9.922 0.679 191 HB3 ALA 24 3HB ALA 24 8.981 10.642 2.289 192 H SER 25 HN SER 25 9.653 8.787 4.354 193 HA SER 25 HA SER 25 12.111 7.795 3.266 194 HG SER 25 HG SER 25 13.954 8.693 5.419 195 HB2 SER 25 2HB SER 25 12.077 9.529 5.015 196 HB3 SER 25 1HB SER 25 11.337 8.389 6.134 197 H THR 26 HN THR 26 9.806 6.544 5.699 198 HA THR 26 HA THR 26 11.387 4.172 6.057 199 HB THR 26 HB THR 26 10.163 5.235 7.935 200 HG1 THR 26 1HG THR 26 10.760 3.011 8.059 201 HG21 THR 26 3HG2 THR 26 8.104 5.830 6.766 202 HG22 THR 26 1HG2 THR 26 7.764 4.840 8.185 203 HG23 THR 26 2HG2 THR 26 7.712 4.121 6.575 204 H VAL 27 HN VAL 27 8.916 5.048 3.863 205 HA VAL 27 HA VAL 27 7.657 2.550 3.466 206 HB VAL 27 HB VAL 27 6.887 4.737 2.489 207 HG11 VAL 27 1HG1 VAL 27 7.768 5.396 0.294 208 HG12 VAL 27 2HG1 VAL 27 9.054 4.201 0.465 209 HG13 VAL 27 3HG1 VAL 27 8.965 5.568 1.578 210 HG21 VAL 27 3HG2 VAL 27 7.166 2.408 0.600 211 HG22 VAL 27 1HG2 VAL 27 6.010 3.730 0.439 212 HG23 VAL 27 2HG2 VAL 27 5.908 2.630 1.815 213 H ASP 28 HN ASP 28 10.713 3.869 2.388 214 HA ASP 28 HA ASP 28 11.380 2.018 0.389 215 HB2 ASP 28 2HB ASP 28 12.631 4.102 0.772 216 HB3 ASP 28 1HB ASP 28 13.188 3.494 2.326 217 H ASP 29 HN ASP 29 12.023 2.022 3.863 218 HA ASP 29 HA ASP 29 13.423 -0.441 3.919 219 HB2 ASP 29 2HB ASP 29 13.725 1.163 5.709 220 HB3 ASP 29 1HB ASP 29 12.009 1.133 6.090 221 H TRP 30 HN TRP 30 10.068 0.455 4.613 222 HA TRP 30 HA TRP 30 9.191 -2.037 5.508 223 HD1 TRP 30 1HD TRP 30 6.711 -1.634 7.325 224 HE1 TRP 30 1HE TRP 30 4.587 -3.063 7.073 225 HE3 TRP 30 3HE TRP 30 6.144 -1.344 2.252 226 HZ2 TRP 30 2HZ TRP 30 2.892 -3.956 4.988 227 HZ3 TRP 30 3HZ TRP 30 4.251 -2.513 1.207 228 HH2 TRP 30 2HH TRP 30 2.660 -3.791 2.547 229 HB2 TRP 30 2HB TRP 30 7.902 0.101 5.668 230 HB3 TRP 30 1HB TRP 30 7.539 -0.038 3.951 231 H ILE 31 HN ILE 31 9.213 -0.701 2.212 232 HA ILE 31 HA ILE 31 7.978 -2.839 0.908 233 HB ILE 31 HB ILE 31 10.073 -0.920 -0.112 234 HG12 ILE 31 2HG1 ILE 31 7.086 -1.011 -0.583 235 HG13 ILE 31 1HG1 ILE 31 7.866 0.013 0.620 236 HG21 ILE 31 1HG2 ILE 31 9.405 -1.603 -2.369 237 HG22 ILE 31 2HG2 ILE 31 8.359 -2.845 -1.684 238 HG23 ILE 31 3HG2 ILE 31 10.106 -2.948 -1.468 239 HD11 ILE 31 3HD1 ILE 31 9.105 1.136 -1.175 240 HD12 ILE 31 1HD1 ILE 31 7.358 1.278 -1.367 241 HD13 ILE 31 2HD1 ILE 31 8.262 0.136 -2.358 242 H LYS 32 HN LYS 32 11.476 -2.259 1.396 243 HA LYS 32 HA LYS 32 12.172 -4.717 0.140 244 HB2 LYS 32 2HB LYS 32 14.469 -4.256 0.927 245 HB3 LYS 32 1HB LYS 32 13.747 -2.898 0.091 246 HG2 LYS 32 2HG LYS 32 14.855 -1.906 1.840 247 HG3 LYS 32 1HG LYS 32 13.201 -2.014 2.437 248 HD2 LYS 32 2HD LYS 32 13.716 -3.803 3.860 249 HD3 LYS 32 1HD LYS 32 15.238 -4.127 3.033 250 HE2 LYS 32 2HE LYS 32 16.243 -2.177 3.918 251 HE3 LYS 32 1HE LYS 32 14.698 -1.558 4.496 252 HZ1 LYS 32 3HZ LYS 32 14.924 -2.658 6.384 253 HZ2 LYS 32 1HZ LYS 32 16.516 -3.032 5.931 254 HZ3 LYS 32 2HZ LYS 32 15.260 -4.124 5.592 255 H ARG 33 HN ARG 33 11.172 -3.890 3.292 256 HA ARG 33 HA ARG 33 12.334 -6.076 4.711 257 HE ARG 33 HE ARG 33 9.468 -6.496 8.989 258 HB2 ARG 33 2HB ARG 33 11.552 -4.052 5.826 259 HB3 ARG 33 1HB ARG 33 9.917 -4.366 5.295 260 HG2 ARG 33 2HG ARG 33 9.900 -6.429 6.642 261 HG3 ARG 33 1HG ARG 33 11.512 -6.018 7.238 262 HD2 ARG 33 2HD ARG 33 10.707 -4.046 8.294 263 HD3 ARG 33 1HD ARG 33 9.140 -4.187 7.499 264 HH11 ARG 33 1HH1 ARG 33 9.268 -3.041 9.593 265 HH12 ARG 33 2HH1 ARG 33 8.566 -3.240 11.174 266 HH21 ARG 33 1HH2 ARG 33 8.536 -6.751 11.036 267 HH22 ARG 33 2HH2 ARG 33 8.152 -5.357 12.003 268 H VAL 34 HN VAL 34 9.160 -5.449 3.306 269 HA VAL 34 HA VAL 34 8.260 -8.119 4.013 270 HB VAL 34 HB VAL 34 6.093 -7.470 3.070 271 HG11 VAL 34 1HG1 VAL 34 7.299 -5.441 4.946 272 HG12 VAL 34 2HG1 VAL 34 6.536 -6.967 5.392 273 HG13 VAL 34 3HG1 VAL 34 5.572 -5.675 4.678 274 HG21 VAL 34 3HG2 VAL 34 5.713 -5.158 2.311 275 HG22 VAL 34 1HG2 VAL 34 6.824 -6.031 1.256 276 HG23 VAL 34 2HG2 VAL 34 7.448 -4.855 2.412 277 H GLY 35 HN GLY 35 9.133 -6.352 1.078 278 HA2 GLY 35 2HA GLY 35 9.876 -7.257 -0.927 279 HA3 GLY 35 1HA GLY 35 9.478 -8.860 -0.328 280 H ASP 36 HN ASP 36 6.883 -8.697 0.274 281 HA ASP 36 HA ASP 36 5.555 -7.913 -2.222 282 HB2 ASP 36 2HB ASP 36 4.916 -10.346 -0.539 283 HB3 ASP 36 1HB ASP 36 4.206 -9.911 -2.081 284 H GLY 37 HN GLY 37 3.708 -6.749 -1.964 285 HA2 GLY 37 2HA GLY 37 1.842 -6.912 0.045 286 HA3 GLY 37 1HA GLY 37 3.057 -5.801 0.661 287 H VAL 38 HN VAL 38 0.909 -4.526 0.573 288 HA VAL 38 HA VAL 38 0.918 -3.048 -1.966 289 HB VAL 38 HB VAL 38 -1.534 -2.674 -1.718 290 HG11 VAL 38 1HG1 VAL 38 -2.202 -4.856 -2.608 291 HG12 VAL 38 2HG1 VAL 38 -0.677 -5.546 -2.055 292 HG13 VAL 38 3HG1 VAL 38 -0.679 -4.305 -3.307 293 HG21 VAL 38 3HG2 VAL 38 -2.834 -4.202 -0.314 294 HG22 VAL 38 1HG2 VAL 38 -1.757 -3.197 0.655 295 HG23 VAL 38 2HG2 VAL 38 -1.338 -4.879 0.334 296 H ILE 39 HN ILE 39 0.849 -0.892 -1.824 297 HA ILE 39 HA ILE 39 0.638 0.301 0.860 298 HB ILE 39 HB ILE 39 1.963 1.401 -1.633 299 HG12 ILE 39 2HG1 ILE 39 3.295 0.715 0.988 300 HG13 ILE 39 1HG1 ILE 39 3.121 -0.470 -0.307 301 HG21 ILE 39 1HG2 ILE 39 2.727 3.236 -0.170 302 HG22 ILE 39 2HG2 ILE 39 1.713 2.596 1.123 303 HG23 ILE 39 3HG2 ILE 39 0.976 3.199 -0.360 304 HD11 ILE 39 3HD1 ILE 39 5.307 0.595 -0.331 305 HD12 ILE 39 1HD1 ILE 39 4.541 2.172 -0.523 306 HD13 ILE 39 2HD1 ILE 39 4.395 0.960 -1.796 307 H LEU 40 HN LEU 40 -1.152 1.428 1.262 308 HA LEU 40 HA LEU 40 -2.865 2.230 -0.975 309 HG LEU 40 HG LEU 40 -3.404 -0.143 1.126 310 HB2 LEU 40 2HB LEU 40 -3.427 2.123 1.992 311 HB3 LEU 40 1HB LEU 40 -4.580 2.613 0.770 312 HD11 LEU 40 1HD1 LEU 40 -6.205 0.908 1.449 313 HD12 LEU 40 2HD1 LEU 40 -5.113 0.445 2.753 314 HD13 LEU 40 3HD1 LEU 40 -5.703 -0.774 1.623 315 HD21 LEU 40 3HD2 LEU 40 -3.690 0.385 -1.248 316 HD22 LEU 40 1HD2 LEU 40 -5.363 0.849 -0.941 317 HD23 LEU 40 2HD2 LEU 40 -4.853 -0.824 -0.707 318 H LEU 41 HN LEU 41 -2.939 4.302 -1.592 319 HA LEU 41 HA LEU 41 -1.602 6.333 -0.063 320 HG LEU 41 HG LEU 41 -1.235 5.415 -3.068 321 HB2 LEU 41 2HB LEU 41 -3.320 6.543 -2.539 322 HB3 LEU 41 1HB LEU 41 -2.448 7.883 -1.819 323 HD11 LEU 41 1HD1 LEU 41 -1.158 8.314 -3.898 324 HD12 LEU 41 2HD1 LEU 41 -2.104 7.044 -4.672 325 HD13 LEU 41 3HD1 LEU 41 -0.344 6.977 -4.709 326 HD21 LEU 41 3HD2 LEU 41 0.110 7.769 -1.744 327 HD22 LEU 41 1HD2 LEU 41 0.928 6.488 -2.639 328 HD23 LEU 41 2HD2 LEU 41 0.077 6.113 -1.140 329 H SER 42 HN SER 42 -2.688 8.310 0.639 330 HA SER 42 HA SER 42 -4.693 7.662 2.478 331 HG SER 42 HG SER 42 -5.687 10.510 2.829 332 HB2 SER 42 2HB SER 42 -3.042 9.484 2.790 333 HB3 SER 42 1HB SER 42 -3.858 10.411 1.531 334 H SER 43 HN SER 43 -6.801 7.486 2.252 335 HA SER 43 HA SER 43 -8.212 8.236 -0.096 336 HG SER 43 HG SER 43 -8.724 5.624 2.284 337 HB2 SER 43 2HB SER 43 -9.333 7.585 2.642 338 HB3 SER 43 1HB SER 43 -10.193 7.503 1.104 339 H ASP 44 HN ASP 44 -9.513 9.994 -0.463 340 HA ASP 44 HA ASP 44 -10.295 12.118 -0.324 341 HB2 ASP 44 2HB ASP 44 -11.503 11.331 1.652 342 HB3 ASP 44 1HB ASP 44 -10.095 11.639 2.658 343 HA PRO 45 HA PRO 45 -6.099 13.880 0.337 344 HB2 PRO 45 2HB PRO 45 -5.890 14.380 -2.469 345 HB3 PRO 45 1HB PRO 45 -4.979 13.209 -1.513 346 HG2 PRO 45 2HG PRO 45 -6.832 12.572 -3.475 347 HG3 PRO 45 1HG PRO 45 -6.288 11.480 -2.195 348 HD2 PRO 45 2HD PRO 45 -8.790 13.100 -2.365 349 HD3 PRO 45 1HD PRO 45 -8.539 11.472 -1.697 350 H ARG 46 HN ARG 46 -8.681 14.820 -1.861 351 HA ARG 46 HA ARG 46 -9.099 17.355 -0.734 352 HE ARG 46 HE ARG 46 -8.449 21.811 -2.776 353 HB2 ARG 46 2HB ARG 46 -6.924 17.815 -1.917 354 HB3 ARG 46 1HB ARG 46 -7.725 17.430 -3.434 355 HG2 ARG 46 2HG ARG 46 -9.304 19.270 -3.043 356 HG3 ARG 46 1HG ARG 46 -8.437 19.675 -1.560 357 HD2 ARG 46 2HD ARG 46 -6.407 20.084 -2.864 358 HD3 ARG 46 1HD ARG 46 -7.278 19.684 -4.344 359 HH11 ARG 46 1HH1 ARG 46 -6.302 20.949 -5.404 360 HH12 ARG 46 2HH1 ARG 46 -6.303 22.545 -6.099 361 HH21 ARG 46 1HH2 ARG 46 -8.511 23.880 -3.699 362 HH22 ARG 46 2HH2 ARG 46 -7.588 24.217 -5.140 363 H ARG 47 HN ARG 47 -10.846 18.485 -1.871 364 HA ARG 47 HA ARG 47 -12.772 18.613 -3.075 365 HE ARG 47 HE ARG 47 -12.997 18.277 -7.179 366 HB2 ARG 47 2HB ARG 47 -11.420 16.544 -4.823 367 HB3 ARG 47 1HB ARG 47 -12.941 17.330 -5.218 368 HG2 ARG 47 2HG ARG 47 -11.840 19.485 -5.307 369 HG3 ARG 47 1HG ARG 47 -10.314 18.744 -4.822 370 HD2 ARG 47 2HD ARG 47 -10.357 19.118 -7.223 371 HD3 ARG 47 1HD ARG 47 -10.322 17.393 -6.864 372 HH11 ARG 47 1HH1 ARG 47 -10.111 17.554 -9.034 373 HH12 ARG 47 2HH1 ARG 47 -10.979 17.165 -10.489 374 HH21 ARG 47 1HH2 ARG 47 -14.150 17.775 -9.090 375 HH22 ARG 47 2HH2 ARG 47 -13.278 17.323 -10.528 376 H THR 48 HN THR 48 -13.832 16.097 -4.475 377 HA THR 48 HA THR 48 -15.332 15.108 -2.265 378 HB THR 48 HB THR 48 -16.141 13.410 -3.994 379 HG1 THR 48 1HG THR 48 -14.186 13.707 -5.318 380 HG21 THR 48 3HG2 THR 48 -17.468 15.082 -5.205 381 HG22 THR 48 1HG2 THR 48 -16.388 16.351 -4.632 382 HG23 THR 48 2HG2 THR 48 -17.380 15.452 -3.483 383 HA PRO 49 HA PRO 49 -12.577 11.811 -0.997 384 HB2 PRO 49 2HB PRO 49 -14.418 10.328 0.367 385 HB3 PRO 49 1HB PRO 49 -13.669 11.788 1.022 386 HG2 PRO 49 2HG PRO 49 -16.346 11.445 -0.263 387 HG3 PRO 49 1HG PRO 49 -15.906 12.386 1.173 388 HD2 PRO 49 2HD PRO 49 -16.286 13.532 -1.243 389 HD3 PRO 49 1HD PRO 49 -15.099 14.152 -0.077 390 H GLU 50 HN GLU 50 -12.543 9.373 -1.145 391 HA GLU 50 HA GLU 50 -13.183 8.609 -3.790 392 HB2 GLU 50 2HB GLU 50 -11.251 7.713 -2.485 393 HB3 GLU 50 1HB GLU 50 -12.389 6.801 -1.499 394 HG2 GLU 50 2HG GLU 50 -11.284 5.502 -3.328 395 HG3 GLU 50 1HG GLU 50 -13.047 5.463 -3.344 396 H VAL 51 HN VAL 51 -14.991 7.841 -4.592 397 HA VAL 51 HA VAL 51 -17.057 6.909 -2.714 398 HB VAL 51 HB VAL 51 -17.484 9.126 -3.798 399 HG11 VAL 51 1HG1 VAL 51 -17.636 7.477 -6.314 400 HG12 VAL 51 2HG1 VAL 51 -16.481 8.762 -5.953 401 HG13 VAL 51 3HG1 VAL 51 -18.190 9.144 -6.161 402 HG21 VAL 51 3HG2 VAL 51 -19.422 6.914 -4.452 403 HG22 VAL 51 1HG2 VAL 51 -19.805 8.637 -4.448 404 HG23 VAL 51 2HG2 VAL 51 -19.336 7.835 -2.949 405 H SER 52 HN SER 52 -15.042 5.976 -5.228 406 HA SER 52 HA SER 52 -16.721 4.337 -6.780 407 HG SER 52 HG SER 52 -13.710 5.876 -6.995 408 HB2 SER 52 2HB SER 52 -13.783 3.887 -6.228 409 HB3 SER 52 1HB SER 52 -14.701 3.347 -7.636 410 H ASP 53 HN ASP 53 -14.694 3.585 -3.960 411 HA ASP 53 HA ASP 53 -16.529 1.530 -3.137 412 HB2 ASP 53 2HB ASP 53 -14.887 0.477 -4.857 413 HB3 ASP 53 1HB ASP 53 -13.687 0.622 -3.578 414 H ASN 54 HN ASN 54 -14.862 0.249 -1.263 415 HA ASN 54 HA ASN 54 -14.026 2.523 0.422 416 HB2 ASN 54 2HB ASN 54 -15.748 0.161 1.153 417 HB3 ASN 54 1HB ASN 54 -14.857 1.059 2.375 418 HD21 ASN 54 1HD2 ASN 54 -17.481 1.144 0.096 419 HD22 ASN 54 2HD2 ASN 54 -18.221 2.589 0.701 420 HA PRO 55 HA PRO 55 -10.205 0.175 0.271 421 HB2 PRO 55 2HB PRO 55 -9.467 2.177 2.337 422 HB3 PRO 55 1HB PRO 55 -8.636 1.741 0.839 423 HG2 PRO 55 2HG PRO 55 -9.972 4.032 1.022 424 HG3 PRO 55 1HG PRO 55 -10.013 3.073 -0.469 425 HD2 PRO 55 2HD PRO 55 -12.083 3.324 1.683 426 HD3 PRO 55 1HD PRO 55 -12.291 3.251 -0.080 427 H VAL 56 HN VAL 56 -12.232 0.767 2.982 428 HA VAL 56 HA VAL 56 -10.800 -0.530 5.025 429 HB VAL 56 HB VAL 56 -13.807 -0.488 4.714 430 HG11 VAL 56 1HG1 VAL 56 -13.069 -1.964 6.478 431 HG12 VAL 56 2HG1 VAL 56 -13.782 -0.517 7.189 432 HG13 VAL 56 3HG1 VAL 56 -12.031 -0.704 7.144 433 HG21 VAL 56 3HG2 VAL 56 -12.934 1.773 4.446 434 HG22 VAL 56 1HG2 VAL 56 -12.016 1.609 5.943 435 HG23 VAL 56 2HG2 VAL 56 -13.780 1.607 5.985 436 H MET 57 HN MET 57 -12.726 -1.733 2.369 437 HA MET 57 HA MET 57 -12.833 -4.414 3.533 438 HB2 MET 57 2HB MET 57 -14.134 -3.268 1.063 439 HB3 MET 57 1HB MET 57 -14.341 -4.919 1.629 440 HG2 MET 57 2HG MET 57 -15.105 -2.451 3.167 441 HG3 MET 57 1HG MET 57 -16.214 -3.452 2.232 442 HE1 MET 57 3HE MET 57 -17.211 -4.241 5.939 443 HE2 MET 57 1HE MET 57 -17.780 -3.697 4.362 444 HE3 MET 57 2HE MET 57 -16.672 -2.692 5.294 445 H ILE 58 HN ILE 58 -10.466 -2.933 2.057 446 HA ILE 58 HA ILE 58 -10.057 -4.668 -0.216 447 HB ILE 58 HB ILE 58 -9.260 -2.228 -0.020 448 HG12 ILE 58 2HG1 ILE 58 -7.294 -4.338 -0.940 449 HG13 ILE 58 1HG1 ILE 58 -8.684 -3.783 -1.865 450 HG21 ILE 58 1HG2 ILE 58 -7.014 -3.599 1.459 451 HG22 ILE 58 2HG2 ILE 58 -8.131 -2.410 2.127 452 HG23 ILE 58 3HG2 ILE 58 -6.989 -1.936 0.871 453 HD11 ILE 58 3HD1 ILE 58 -6.339 -2.090 -1.032 454 HD12 ILE 58 1HD1 ILE 58 -7.722 -1.549 -1.983 455 HD13 ILE 58 2HD1 ILE 58 -6.619 -2.759 -2.639 456 H ALA 59 HN ALA 59 -9.514 -4.889 3.092 457 HA ALA 59 HA ALA 59 -7.027 -6.169 3.250 458 HB1 ALA 59 1HB ALA 59 -8.228 -5.235 5.182 459 HB2 ALA 59 2HB ALA 59 -7.713 -6.902 5.450 460 HB3 ALA 59 3HB ALA 59 -9.399 -6.551 5.069 461 H GLU 60 HN GLU 60 -10.232 -7.435 2.567 462 HA GLU 60 HA GLU 60 -9.482 -10.178 2.811 463 HB2 GLU 60 2HB GLU 60 -11.670 -10.651 1.783 464 HB3 GLU 60 1HB GLU 60 -11.784 -9.546 3.143 465 HG2 GLU 60 2HG GLU 60 -11.848 -7.667 1.491 466 HG3 GLU 60 1HG GLU 60 -11.984 -8.885 0.221 467 H LEU 61 HN LEU 61 -9.379 -7.830 0.273 468 HA LEU 61 HA LEU 61 -9.287 -9.441 -2.003 469 HG LEU 61 HG LEU 61 -8.583 -6.392 -3.902 470 HB2 LEU 61 2HB LEU 61 -9.309 -6.866 -1.715 471 HB3 LEU 61 1HB LEU 61 -7.574 -7.006 -1.651 472 HD11 LEU 61 1HD1 LEU 61 -7.003 -7.770 -5.154 473 HD12 LEU 61 2HD1 LEU 61 -6.811 -8.824 -3.752 474 HD13 LEU 61 3HD1 LEU 61 -6.280 -7.145 -3.670 475 HD21 LEU 61 3HD2 LEU 61 -10.446 -7.967 -3.861 476 HD22 LEU 61 1HD2 LEU 61 -9.310 -9.317 -3.880 477 HD23 LEU 61 2HD2 LEU 61 -9.414 -8.232 -5.268 478 H LEU 62 HN LEU 62 -6.714 -8.353 0.140 479 HA LEU 62 HA LEU 62 -4.527 -9.457 -1.185 480 HG LEU 62 HG LEU 62 -3.136 -7.259 1.405 481 HB2 LEU 62 2HB LEU 62 -5.007 -8.899 1.729 482 HB3 LEU 62 1HB LEU 62 -3.495 -9.582 1.166 483 HD11 LEU 62 1HD1 LEU 62 -2.168 -8.215 -0.608 484 HD12 LEU 62 2HD1 LEU 62 -2.624 -6.531 -0.862 485 HD13 LEU 62 3HD1 LEU 62 -3.632 -7.824 -1.512 486 HD21 LEU 62 3HD2 LEU 62 -4.531 -5.550 0.365 487 HD22 LEU 62 1HD2 LEU 62 -5.463 -6.537 1.492 488 HD23 LEU 62 2HD2 LEU 62 -5.615 -6.800 -0.245 489 H ARG 63 HN ARG 63 -6.944 -11.027 0.737 490 HA ARG 63 HA ARG 63 -5.448 -13.409 1.280 491 HE ARG 63 HE ARG 63 -7.493 -12.059 5.641 492 HB2 ARG 63 2HB ARG 63 -8.424 -12.890 1.350 493 HB3 ARG 63 1HB ARG 63 -7.646 -14.348 1.947 494 HG2 ARG 63 2HG ARG 63 -6.503 -13.093 3.656 495 HG3 ARG 63 1HG ARG 63 -7.143 -11.577 3.010 496 HD2 ARG 63 2HD ARG 63 -9.401 -12.261 3.530 497 HD3 ARG 63 1HD ARG 63 -8.835 -13.847 4.050 498 HH11 ARG 63 1HH1 ARG 63 -10.876 -12.689 4.943 499 HH12 ARG 63 2HH1 ARG 63 -11.416 -12.285 6.545 500 HH21 ARG 63 1HH2 ARG 63 -8.190 -11.518 7.728 501 HH22 ARG 63 2HH2 ARG 63 -9.878 -11.594 8.128 502 H GLU 64 HN GLU 64 -6.851 -12.188 -1.524 503 HA GLU 64 HA GLU 64 -7.926 -14.661 -2.532 504 HB2 GLU 64 2HB GLU 64 -8.700 -12.233 -3.043 505 HB3 GLU 64 1HB GLU 64 -7.378 -12.228 -4.202 506 HG2 GLU 64 2HG GLU 64 -9.498 -12.788 -5.252 507 HG3 GLU 64 1HG GLU 64 -8.353 -14.125 -5.353 508 H PHE 65 HN PHE 65 -4.889 -13.083 -2.486 509 HA PHE 65 HA PHE 65 -3.873 -15.009 -4.472 510 HD1 PHE 65 1HD PHE 65 -4.731 -14.138 -6.317 511 HD2 PHE 65 2HD PHE 65 -3.321 -10.386 -4.895 512 HE1 PHE 65 1HE PHE 65 -6.229 -12.985 -7.892 513 HE2 PHE 65 2HE PHE 65 -4.821 -9.225 -6.459 514 HZ PHE 65 HZ PHE 65 -6.281 -10.524 -7.960 515 HB2 PHE 65 2HB PHE 65 -2.627 -12.320 -3.847 516 HB3 PHE 65 1HB PHE 65 -2.165 -13.437 -5.122 517 HA PRO 66 HA PRO 66 -1.966 -15.661 -0.291 518 HB2 PRO 66 2HB PRO 66 -2.628 -18.221 0.105 519 HB3 PRO 66 1HB PRO 66 -3.800 -16.920 0.356 520 HG2 PRO 66 2HG PRO 66 -3.511 -18.794 -1.952 521 HG3 PRO 66 1HG PRO 66 -4.986 -18.204 -1.167 522 HD2 PRO 66 2HD PRO 66 -3.924 -17.195 -3.515 523 HD3 PRO 66 1HD PRO 66 -5.039 -16.321 -2.447 524 H GLN 67 HN GLN 67 -0.594 -15.698 -2.787 525 HA GLN 67 HA GLN 67 0.975 -18.157 -2.777 526 HB2 GLN 67 2HB GLN 67 1.288 -15.698 -4.514 527 HB3 GLN 67 1HB GLN 67 2.068 -17.254 -4.758 528 HG2 GLN 67 2HG GLN 67 -0.888 -16.709 -4.935 529 HG3 GLN 67 1HG GLN 67 0.211 -16.933 -6.294 530 HE21 GLN 67 1HE2 GLN 67 1.001 -18.995 -6.743 531 HE22 GLN 67 2HE2 GLN 67 0.269 -20.417 -6.092 532 H PHE 68 HN PHE 68 1.271 -14.724 -2.123 533 HA PHE 68 HA PHE 68 3.930 -15.186 -0.945 534 HD1 PHE 68 2HD PHE 68 5.139 -14.797 -3.447 535 HD2 PHE 68 1HD PHE 68 1.863 -12.106 -3.597 536 HE1 PHE 68 2HE PHE 68 5.046 -15.056 -5.894 537 HE2 PHE 68 1HE PHE 68 1.750 -12.352 -6.033 538 HZ PHE 68 HZ PHE 68 3.344 -13.833 -7.187 539 HB2 PHE 68 2HB PHE 68 2.929 -12.442 -1.603 540 HB3 PHE 68 1HB PHE 68 4.578 -13.054 -1.591 541 H ASP 69 HN ASP 69 4.344 -13.473 0.871 542 HA ASP 69 HA ASP 69 1.972 -13.460 2.599 543 HB2 ASP 69 2HB ASP 69 4.037 -14.391 3.579 544 HB3 ASP 69 1HB ASP 69 4.857 -12.856 3.303 545 H TRP 70 HN TRP 70 0.820 -11.787 1.744 546 HA TRP 70 HA TRP 70 2.035 -9.240 1.170 547 HD1 TRP 70 1HD TRP 70 -0.208 -12.326 -0.072 548 HE1 TRP 70 1HE TRP 70 0.037 -12.678 -2.605 549 HE3 TRP 70 3HE TRP 70 0.399 -7.459 -1.522 550 HZ2 TRP 70 2HZ TRP 70 0.422 -11.108 -4.909 551 HZ3 TRP 70 3HZ TRP 70 0.692 -6.975 -3.916 552 HH2 TRP 70 2HH TRP 70 0.706 -8.770 -5.574 553 HB2 TRP 70 2HB TRP 70 -0.893 -9.977 1.288 554 HB3 TRP 70 1HB TRP 70 -0.223 -8.510 0.600 555 H GLN 71 HN GLN 71 1.882 -7.395 2.314 556 HA GLN 71 HA GLN 71 0.189 -7.351 4.704 557 HB2 GLN 71 2HB GLN 71 3.034 -6.348 4.550 558 HB3 GLN 71 1HB GLN 71 1.926 -5.988 5.868 559 HG2 GLN 71 2HG GLN 71 1.707 -8.546 6.083 560 HG3 GLN 71 1HG GLN 71 3.185 -8.594 5.122 561 HE21 GLN 71 1HE2 GLN 71 4.129 -6.071 6.289 562 HE22 GLN 71 2HE2 GLN 71 4.679 -6.468 7.874 563 H VAL 72 HN VAL 72 -0.455 -5.164 5.335 564 HA VAL 72 HA VAL 72 -0.630 -3.481 2.921 565 HB VAL 72 HB VAL 72 -2.574 -3.555 5.234 566 HG11 VAL 72 1HG1 VAL 72 -2.765 -2.278 2.510 567 HG12 VAL 72 2HG1 VAL 72 -2.528 -1.431 4.038 568 HG13 VAL 72 3HG1 VAL 72 -4.035 -2.295 3.733 569 HG21 VAL 72 3HG2 VAL 72 -2.812 -4.826 2.507 570 HG22 VAL 72 1HG2 VAL 72 -4.073 -4.777 3.740 571 HG23 VAL 72 2HG2 VAL 72 -2.588 -5.684 4.031 572 H ALA 73 HN ALA 73 0.245 -1.539 2.971 573 HA ALA 73 HA ALA 73 0.676 -0.245 5.588 574 HB1 ALA 73 1HB ALA 73 2.790 -0.848 4.491 575 HB2 ALA 73 2HB ALA 73 2.592 0.901 4.595 576 HB3 ALA 73 3HB ALA 73 2.310 0.072 3.065 577 H VAL 74 HN VAL 74 0.053 1.904 5.758 578 HA VAL 74 HA VAL 74 -1.411 2.967 3.432 579 HB VAL 74 HB VAL 74 -2.924 4.118 5.080 580 HG11 VAL 74 1HG1 VAL 74 -4.290 2.115 5.511 581 HG12 VAL 74 2HG1 VAL 74 -2.916 1.104 5.063 582 HG13 VAL 74 3HG1 VAL 74 -3.664 2.156 3.863 583 HG21 VAL 74 3HG2 VAL 74 -1.638 2.191 7.013 584 HG22 VAL 74 1HG2 VAL 74 -3.073 3.163 7.341 585 HG23 VAL 74 2HG2 VAL 74 -1.519 3.949 7.061 586 H ALA 75 HN ALA 75 -1.049 5.006 2.852 587 HA ALA 75 HA ALA 75 1.089 6.426 4.236 588 HB1 ALA 75 1HB ALA 75 1.134 7.848 2.246 589 HB2 ALA 75 2HB ALA 75 -0.277 7.003 1.608 590 HB3 ALA 75 3HB ALA 75 1.248 6.142 1.816 591 H ASP 76 HN ASP 76 0.745 8.109 5.519 592 HA ASP 76 HA ASP 76 -1.840 9.016 6.204 593 HB2 ASP 76 2HB ASP 76 0.019 9.142 7.782 594 HB3 ASP 76 1HB ASP 76 0.874 10.257 6.721 595 H LEU 77 HN LEU 77 -2.612 11.262 5.996 596 HA LEU 77 HA LEU 77 -2.987 11.965 3.354 597 HG LEU 77 HG LEU 77 -5.283 12.138 4.213 598 HB2 LEU 77 2HB LEU 77 -3.249 13.643 5.842 599 HB3 LEU 77 1HB LEU 77 -3.750 14.200 4.261 600 HD11 LEU 77 1HD1 LEU 77 -4.632 12.232 7.152 601 HD12 LEU 77 2HD1 LEU 77 -4.371 10.885 6.044 602 HD13 LEU 77 3HD1 LEU 77 -6.011 11.382 6.457 603 HD21 LEU 77 3HD2 LEU 77 -5.818 14.346 6.194 604 HD22 LEU 77 1HD2 LEU 77 -7.031 13.313 5.439 605 HD23 LEU 77 2HD2 LEU 77 -6.087 14.430 4.452 606 H GLU 78 HN GLU 78 -0.507 13.036 5.580 607 HA GLU 78 HA GLU 78 0.427 15.158 3.881 608 HB2 GLU 78 2HB GLU 78 0.645 15.145 6.362 609 HB3 GLU 78 1HB GLU 78 1.796 13.823 6.216 610 HG2 GLU 78 2HG GLU 78 3.262 15.301 4.888 611 HG3 GLU 78 1HG GLU 78 2.127 16.624 5.162 612 H GLN 79 HN GLN 79 1.639 11.933 4.768 613 HA GLN 79 HA GLN 79 4.006 12.212 3.186 614 HB2 GLN 79 2HB GLN 79 2.802 9.896 4.687 615 HB3 GLN 79 1HB GLN 79 4.272 9.734 3.740 616 HG2 GLN 79 2HG GLN 79 4.896 10.045 6.008 617 HG3 GLN 79 1HG GLN 79 5.292 11.524 5.138 618 HE21 GLN 79 1HE2 GLN 79 5.302 12.711 7.048 619 HE22 GLN 79 2HE2 GLN 79 3.840 13.139 7.861 620 H SER 80 HN SER 80 0.822 11.027 2.540 621 HA SER 80 HA SER 80 1.301 8.993 0.724 622 HG SER 80 HG SER 80 -1.436 11.586 -0.071 623 HB2 SER 80 2HB SER 80 -0.959 9.534 -0.195 624 HB3 SER 80 1HB SER 80 -0.926 9.429 1.565 625 H GLU 81 HN GLU 81 1.234 12.470 0.141 626 HA GLU 81 HA GLU 81 1.207 12.363 -2.663 627 HB2 GLU 81 2HB GLU 81 0.732 14.387 -1.276 628 HB3 GLU 81 1HB GLU 81 2.452 14.509 -0.941 629 HG2 GLU 81 2HG GLU 81 1.759 16.038 -2.705 630 HG3 GLU 81 1HG GLU 81 2.920 14.845 -3.289 631 H ALA 82 HN ALA 82 3.945 12.757 -0.413 632 HA ALA 82 HA ALA 82 5.962 12.782 -2.362 633 HB1 ALA 82 1HB ALA 82 6.163 11.837 0.493 634 HB2 ALA 82 2HB ALA 82 6.295 13.511 -0.045 635 HB3 ALA 82 3HB ALA 82 7.503 12.327 -0.543 636 H ILE 83 HN ILE 83 4.432 10.114 -0.632 637 HA ILE 83 HA ILE 83 6.191 8.087 -1.519 638 HB ILE 83 HB ILE 83 3.310 7.892 -0.627 639 HG12 ILE 83 2HG1 ILE 83 5.912 7.406 0.843 640 HG13 ILE 83 1HG1 ILE 83 4.858 8.799 1.057 641 HG21 ILE 83 1HG2 ILE 83 3.904 5.947 -1.956 642 HG22 ILE 83 2HG2 ILE 83 3.771 5.508 -0.252 643 HG23 ILE 83 3HG2 ILE 83 5.359 5.708 -0.990 644 HD11 ILE 83 3HD1 ILE 83 4.572 7.197 2.849 645 HD12 ILE 83 1HD1 ILE 83 4.164 5.940 1.683 646 HD13 ILE 83 2HD1 ILE 83 3.098 7.329 1.888 647 H GLY 84 HN GLY 84 2.953 9.040 -2.697 648 HA2 GLY 84 2HA GLY 84 2.930 7.293 -4.918 649 HA3 GLY 84 1HA GLY 84 1.951 8.743 -4.746 650 H ASP 85 HN ASP 85 4.235 10.499 -4.454 651 HA ASP 85 HA ASP 85 4.749 11.116 -7.162 652 HB2 ASP 85 2HB ASP 85 4.714 12.778 -5.322 653 HB3 ASP 85 1HB ASP 85 6.208 12.086 -4.705 654 H ARG 86 HN ARG 86 6.678 9.557 -4.646 655 HA ARG 86 HA ARG 86 9.094 9.344 -6.053 656 HE ARG 86 HE ARG 86 11.157 4.887 -4.067 657 HB2 ARG 86 2HB ARG 86 9.071 8.916 -3.695 658 HB3 ARG 86 1HB ARG 86 7.899 7.617 -3.884 659 HG2 ARG 86 2HG ARG 86 9.567 6.294 -5.096 660 HG3 ARG 86 1HG ARG 86 10.742 7.594 -4.882 661 HD2 ARG 86 2HD ARG 86 10.734 7.306 -2.514 662 HD3 ARG 86 1HD ARG 86 9.367 6.196 -2.597 663 HH11 ARG 86 1HH1 ARG 86 11.609 6.581 -1.025 664 HH12 ARG 86 2HH1 ARG 86 12.780 5.446 -0.430 665 HH21 ARG 86 1HH2 ARG 86 12.700 3.400 -3.281 666 HH22 ARG 86 2HH2 ARG 86 13.403 3.630 -1.704 667 H PHE 87 HN PHE 87 6.262 7.239 -5.968 668 HA PHE 87 HA PHE 87 7.493 5.313 -7.742 669 HD1 PHE 87 1HD PHE 87 7.945 3.871 -6.276 670 HD2 PHE 87 2HD PHE 87 4.110 4.738 -4.654 671 HE1 PHE 87 1HE PHE 87 8.652 2.928 -4.115 672 HE2 PHE 87 2HE PHE 87 4.810 3.803 -2.489 673 HZ PHE 87 HZ PHE 87 7.083 2.898 -2.219 674 HB2 PHE 87 2HB PHE 87 4.633 5.494 -6.776 675 HB3 PHE 87 1HB PHE 87 5.358 4.122 -7.609 676 H ASN 88 HN ASN 88 6.303 8.287 -8.179 677 HA ASN 88 HA ASN 88 5.685 9.527 -9.956 678 HB2 ASN 88 2HB ASN 88 6.753 7.113 -11.422 679 HB3 ASN 88 1HB ASN 88 6.250 8.592 -12.237 680 HD21 ASN 88 1HD2 ASN 88 8.549 7.181 -10.030 681 HD22 ASN 88 2HD2 ASN 88 9.729 8.434 -10.145 682 H VAL 89 HN VAL 89 3.770 7.797 -8.663 683 HA VAL 89 HA VAL 89 1.886 7.091 -10.759 684 HB VAL 89 HB VAL 89 1.531 7.090 -7.751 685 HG11 VAL 89 1HG1 VAL 89 -0.411 5.657 -8.205 686 HG12 VAL 89 2HG1 VAL 89 -0.159 5.883 -9.938 687 HG13 VAL 89 3HG1 VAL 89 -0.588 7.258 -8.920 688 HG21 VAL 89 3HG2 VAL 89 2.136 4.802 -9.624 689 HG22 VAL 89 1HG2 VAL 89 1.835 4.672 -7.890 690 HG23 VAL 89 2HG2 VAL 89 3.265 5.522 -8.475 691 H ARG 90 HN ARG 90 1.710 9.132 -7.844 692 HA ARG 90 HA ARG 90 0.812 11.172 -7.427 693 HE ARG 90 HE ARG 90 3.488 13.745 -8.720 694 HB2 ARG 90 2HB ARG 90 2.399 11.726 -9.325 695 HB3 ARG 90 1HB ARG 90 1.024 11.628 -10.411 696 HG2 ARG 90 2HG ARG 90 -0.027 13.499 -9.359 697 HG3 ARG 90 1HG ARG 90 1.189 13.524 -8.080 698 HD2 ARG 90 2HD ARG 90 1.816 13.939 -10.996 699 HD3 ARG 90 1HD ARG 90 1.478 15.255 -9.873 700 HH11 ARG 90 1HH1 ARG 90 3.066 15.601 -11.659 701 HH12 ARG 90 2HH1 ARG 90 4.744 16.046 -11.765 702 HH21 ARG 90 1HH2 ARG 90 5.680 14.369 -8.829 703 HH22 ARG 90 2HH2 ARG 90 6.217 15.348 -10.167 704 H ARG 91 HN ARG 91 -1.095 12.710 -8.224 705 HA ARG 91 HA ARG 91 -3.238 13.062 -8.875 706 HE ARG 91 HE ARG 91 -2.737 13.606 -13.557 707 HB2 ARG 91 2HB ARG 91 -3.019 10.373 -10.238 708 HB3 ARG 91 1HB ARG 91 -4.397 11.454 -10.375 709 HG2 ARG 91 2HG ARG 91 -1.589 12.034 -11.291 710 HG3 ARG 91 1HG ARG 91 -2.963 11.624 -12.318 711 HD2 ARG 91 2HD ARG 91 -4.109 13.671 -11.360 712 HD3 ARG 91 1HD ARG 91 -2.545 14.108 -10.673 713 HH11 ARG 91 1HH1 ARG 91 -2.184 15.843 -10.906 714 HH12 ARG 91 2HH1 ARG 91 -1.692 17.145 -11.954 715 HH21 ARG 91 1HH2 ARG 91 -2.070 15.296 -14.907 716 HH22 ARG 91 2HH2 ARG 91 -1.614 16.828 -14.229 717 H PHE 92 HN PHE 92 -4.880 10.362 -9.147 718 HA PHE 92 HA PHE 92 -6.120 10.735 -6.594 719 HD1 PHE 92 1HD PHE 92 -8.627 11.548 -7.360 720 HD2 PHE 92 2HD PHE 92 -6.731 9.833 -10.765 721 HE1 PHE 92 1HE PHE 92 -9.601 13.304 -8.783 722 HE2 PHE 92 2HE PHE 92 -7.700 11.587 -12.190 723 HZ PHE 92 HZ PHE 92 -9.135 13.325 -11.202 724 HB2 PHE 92 2HB PHE 92 -6.723 8.679 -8.734 725 HB3 PHE 92 1HB PHE 92 -7.782 9.161 -7.413 726 HA PRO 93 HA PRO 93 -4.488 7.514 -4.056 727 HB2 PRO 93 2HB PRO 93 -6.804 6.085 -3.434 728 HB3 PRO 93 1HB PRO 93 -6.186 7.487 -2.557 729 HG2 PRO 93 2HG PRO 93 -8.325 7.337 -4.632 730 HG3 PRO 93 1HG PRO 93 -8.226 8.363 -3.189 731 HD2 PRO 93 2HD PRO 93 -7.739 9.343 -5.632 732 HD3 PRO 93 1HD PRO 93 -6.815 9.887 -4.216 733 H ALA 94 HN ALA 94 -3.397 5.806 -4.670 734 HA ALA 94 HA ALA 94 -4.645 3.814 -6.438 735 HB1 ALA 94 1HB ALA 94 -3.243 5.273 -7.802 736 HB2 ALA 94 2HB ALA 94 -2.552 3.653 -7.697 737 HB3 ALA 94 3HB ALA 94 -1.873 4.967 -6.736 738 H THR 95 HN THR 95 -4.369 1.784 -5.782 739 HA THR 95 HA THR 95 -2.749 1.126 -3.523 740 HB THR 95 HB THR 95 -3.998 -0.769 -5.524 741 HG1 THR 95 1HG THR 95 -5.744 -0.743 -3.865 742 HG21 THR 95 3HG2 THR 95 -3.260 -1.105 -2.611 743 HG22 THR 95 1HG2 THR 95 -2.424 -1.827 -3.985 744 HG23 THR 95 2HG2 THR 95 -4.076 -2.312 -3.603 745 H LEU 96 HN LEU 96 -0.616 0.671 -3.568 746 HA LEU 96 HA LEU 96 0.664 0.315 -6.161 747 HG LEU 96 HG LEU 96 2.950 2.678 -4.491 748 HB2 LEU 96 2HB LEU 96 1.763 0.758 -3.391 749 HB3 LEU 96 1HB LEU 96 2.785 0.340 -4.753 750 HD11 LEU 96 1HD1 LEU 96 1.015 2.099 -6.721 751 HD12 LEU 96 2HD1 LEU 96 2.774 1.984 -6.787 752 HD13 LEU 96 3HD1 LEU 96 2.002 3.555 -6.573 753 HD21 LEU 96 3HD2 LEU 96 1.010 4.182 -4.453 754 HD22 LEU 96 1HD2 LEU 96 1.033 3.078 -3.075 755 HD23 LEU 96 2HD2 LEU 96 -0.061 2.780 -4.427 756 H VAL 97 HN VAL 97 1.261 -1.557 -6.939 757 HA VAL 97 HA VAL 97 0.925 -3.929 -5.263 758 HB VAL 97 HB VAL 97 1.284 -3.722 -8.261 759 HG11 VAL 97 1HG1 VAL 97 0.603 -6.074 -8.304 760 HG12 VAL 97 2HG1 VAL 97 0.556 -6.091 -6.538 761 HG13 VAL 97 3HG1 VAL 97 2.089 -5.847 -7.378 762 HG21 VAL 97 3HG2 VAL 97 -1.108 -4.315 -8.352 763 HG22 VAL 97 1HG2 VAL 97 -0.828 -2.762 -7.565 764 HG23 VAL 97 2HG2 VAL 97 -1.188 -4.189 -6.596 765 H PHE 98 HN PHE 98 2.723 -4.359 -4.152 766 HA PHE 98 HA PHE 98 5.277 -4.304 -5.597 767 HD1 PHE 98 2HD PHE 98 7.658 -3.247 -4.635 768 HD2 PHE 98 1HD PHE 98 4.083 -1.510 -3.127 769 HE1 PHE 98 2HE PHE 98 8.503 -1.028 -5.224 770 HE2 PHE 98 1HE PHE 98 4.923 0.731 -3.711 771 HZ PHE 98 HZ PHE 98 7.140 0.973 -4.760 772 HB2 PHE 98 2HB PHE 98 4.555 -3.796 -2.749 773 HB3 PHE 98 1HB PHE 98 6.145 -4.467 -3.111 774 H THR 99 HN THR 99 6.257 -6.099 -6.027 775 HA THR 99 HA THR 99 5.967 -8.407 -4.273 776 HB THR 99 HB THR 99 5.813 -9.875 -6.406 777 HG1 THR 99 1HG THR 99 4.201 -8.306 -7.752 778 HG21 THR 99 3HG2 THR 99 4.059 -9.814 -4.729 779 HG22 THR 99 1HG2 THR 99 3.351 -9.833 -6.344 780 HG23 THR 99 2HG2 THR 99 3.414 -8.328 -5.425 781 H ASP 100 HN ASP 100 7.789 -9.569 -4.106 782 HA ASP 100 HA ASP 100 9.991 -10.138 -4.284 783 HB2 ASP 100 2HB ASP 100 9.076 -10.551 -6.716 784 HB3 ASP 100 1HB ASP 100 10.073 -9.165 -7.116 785 H GLY 101 HN GLY 101 9.121 -7.355 -3.648 786 HA2 GLY 101 2HA GLY 101 10.212 -5.425 -3.023 787 HA3 GLY 101 1HA GLY 101 11.708 -6.137 -3.605 788 H LYS 102 HN LYS 102 9.286 -6.177 -5.993 789 HA LYS 102 HA LYS 102 10.331 -3.645 -7.106 790 HB2 LYS 102 2HB LYS 102 11.078 -5.872 -8.168 791 HB3 LYS 102 1HB LYS 102 9.436 -5.991 -8.769 792 HG2 LYS 102 2HG LYS 102 11.037 -3.536 -9.332 793 HG3 LYS 102 1HG LYS 102 11.318 -5.004 -10.266 794 HD2 LYS 102 2HD LYS 102 8.970 -5.049 -10.920 795 HD3 LYS 102 1HD LYS 102 8.664 -3.604 -9.956 796 HE2 LYS 102 2HE LYS 102 8.882 -2.922 -12.230 797 HE3 LYS 102 1HE LYS 102 10.331 -2.401 -11.372 798 HZ1 LYS 102 3HZ LYS 102 10.070 -4.725 -13.206 799 HZ2 LYS 102 1HZ LYS 102 11.449 -4.424 -12.259 800 HZ3 LYS 102 2HZ LYS 102 10.976 -3.316 -13.454 801 H LEU 103 HN LEU 103 8.890 -2.270 -8.087 802 HA LEU 103 HA LEU 103 6.109 -2.605 -7.392 803 HG LEU 103 HG LEU 103 5.164 -0.325 -9.400 804 HB2 LEU 103 2HB LEU 103 7.144 -0.426 -7.118 805 HB3 LEU 103 1HB LEU 103 7.575 -0.384 -8.816 806 HD11 LEU 103 1HD1 LEU 103 4.269 -1.424 -7.421 807 HD12 LEU 103 2HD1 LEU 103 3.526 0.159 -7.656 808 HD13 LEU 103 3HD1 LEU 103 4.771 -0.057 -6.425 809 HD21 LEU 103 3HD2 LEU 103 4.780 1.985 -8.689 810 HD22 LEU 103 1HD2 LEU 103 6.431 1.740 -9.254 811 HD23 LEU 103 2HD2 LEU 103 6.097 1.842 -7.526 812 H ARG 104 HN ARG 104 4.751 -3.673 -8.646 813 HA ARG 104 HA ARG 104 5.442 -4.193 -11.417 814 HE ARG 104 HE ARG 104 6.673 -7.585 -8.691 815 HB2 ARG 104 2HB ARG 104 3.014 -5.091 -9.863 816 HB3 ARG 104 1HB ARG 104 3.585 -5.739 -11.391 817 HG2 ARG 104 2HG ARG 104 5.004 -5.911 -8.745 818 HG3 ARG 104 1HG ARG 104 4.154 -7.221 -9.565 819 HD2 ARG 104 2HD ARG 104 5.749 -7.284 -11.314 820 HD3 ARG 104 1HD ARG 104 6.471 -5.757 -10.804 821 HH11 ARG 104 1HH1 ARG 104 7.928 -7.231 -11.955 822 HH12 ARG 104 2HH1 ARG 104 9.469 -7.942 -11.562 823 HH21 ARG 104 1HH2 ARG 104 8.687 -8.521 -8.197 824 HH22 ARG 104 2HH2 ARG 104 9.898 -8.672 -9.436 825 H GLY 105 HN GLY 105 3.257 -2.232 -9.589 826 HA2 GLY 105 2HA GLY 105 2.858 -0.260 -11.372 827 HA3 GLY 105 1HA GLY 105 1.679 -1.460 -11.883 828 H ALA 106 HN ALA 106 0.457 0.677 -11.275 829 HA ALA 106 HA ALA 106 -0.384 0.478 -8.463 830 HB1 ALA 106 1HB ALA 106 0.478 2.683 -9.092 831 HB2 ALA 106 2HB ALA 106 -1.236 2.752 -8.690 832 HB3 ALA 106 3HB ALA 106 -0.726 2.788 -10.376 833 H LEU 107 HN LEU 107 -2.619 0.423 -8.008 834 HA LEU 107 HA LEU 107 -4.150 -0.799 -10.185 835 HG LEU 107 HG LEU 107 -5.832 -2.962 -7.718 836 HB2 LEU 107 2HB LEU 107 -3.795 -1.755 -7.772 837 HB3 LEU 107 1HB LEU 107 -5.061 -0.634 -7.329 838 HD11 LEU 107 1HD1 LEU 107 -6.999 -0.924 -9.597 839 HD12 LEU 107 2HD1 LEU 107 -7.386 -1.087 -7.885 840 HD13 LEU 107 3HD1 LEU 107 -7.800 -2.381 -9.009 841 HD21 LEU 107 3HD2 LEU 107 -5.153 -2.357 -10.588 842 HD22 LEU 107 1HD2 LEU 107 -6.028 -3.775 -10.010 843 HD23 LEU 107 2HD2 LEU 107 -4.340 -3.533 -9.556 844 H SER 108 HN SER 108 -4.280 1.805 -7.838 845 HA SER 108 HA SER 108 -5.418 3.753 -7.710 846 HG SER 108 HG SER 108 -4.176 3.500 -10.891 847 HB2 SER 108 2HB SER 108 -6.232 3.187 -10.569 848 HB3 SER 108 1HB SER 108 -6.344 4.740 -9.742 849 H GLY 109 HN GLY 109 -7.439 4.503 -7.090 850 HA2 GLY 109 2HA GLY 109 -9.348 2.444 -6.495 851 HA3 GLY 109 1HA GLY 109 -9.498 4.151 -6.103 852 H ILE 110 HN ILE 110 -8.848 3.664 -9.368 853 HA ILE 110 HA ILE 110 -11.565 4.415 -10.060 854 HB ILE 110 HB ILE 110 -9.632 5.644 -11.018 855 HG12 ILE 110 2HG1 ILE 110 -11.274 4.184 -13.102 856 HG13 ILE 110 1HG1 ILE 110 -11.818 5.586 -12.187 857 HG21 ILE 110 1HG2 ILE 110 -9.085 3.073 -12.492 858 HG22 ILE 110 2HG2 ILE 110 -8.074 3.789 -11.237 859 HG23 ILE 110 3HG2 ILE 110 -8.284 4.618 -12.780 860 HD11 ILE 110 3HD1 ILE 110 -9.512 5.518 -14.119 861 HD12 ILE 110 1HD1 ILE 110 -10.046 6.927 -13.202 862 HD13 ILE 110 2HD1 ILE 110 -11.105 6.214 -14.418 863 H HIS 111 HN HIS 111 -9.771 1.584 -9.787 864 HA HIS 111 HA HIS 111 -11.496 0.169 -11.710 865 HD1 HIS 111 1HD HIS 111 -10.085 -1.502 -13.897 866 HD2 HIS 111 2HD HIS 111 -7.416 1.114 -12.050 867 HE1 HIS 111 1HE HIS 111 -8.668 -0.540 -15.749 868 HE2 HIS 111 2HE HIS 111 -7.140 1.126 -14.622 869 HB2 HIS 111 2HB HIS 111 -8.868 -0.621 -10.447 870 HB3 HIS 111 1HB HIS 111 -9.894 -1.769 -11.298 871 HA PRO 112 HA PRO 112 -13.552 -1.236 -7.995 872 HB2 PRO 112 2HB PRO 112 -15.799 -2.072 -9.164 873 HB3 PRO 112 1HB PRO 112 -15.418 -0.349 -9.048 874 HG2 PRO 112 2HG PRO 112 -15.156 -2.197 -11.382 875 HG3 PRO 112 1HG PRO 112 -15.707 -0.512 -11.341 876 HD2 PRO 112 2HD PRO 112 -13.152 -1.344 -12.041 877 HD3 PRO 112 1HD PRO 112 -13.587 0.293 -11.514 878 H TRP 113 HN TRP 113 -15.121 -3.362 -7.802 879 HA TRP 113 HA TRP 113 -13.355 -5.586 -7.879 880 HD1 TRP 113 1HD TRP 113 -15.665 -8.633 -7.378 881 HE1 TRP 113 1HE TRP 113 -14.516 -10.017 -5.536 882 HE3 TRP 113 3HE TRP 113 -13.679 -4.818 -4.623 883 HZ2 TRP 113 2HZ TRP 113 -12.973 -9.549 -3.217 884 HZ3 TRP 113 3HZ TRP 113 -12.383 -5.368 -2.605 885 HH2 TRP 113 2HH TRP 113 -12.039 -7.687 -1.918 886 HB2 TRP 113 2HB TRP 113 -15.533 -4.956 -6.412 887 HB3 TRP 113 1HB TRP 113 -16.272 -6.053 -7.573 888 H ALA 114 HN ALA 114 -14.812 -7.739 -8.657 889 HA ALA 114 HA ALA 114 -15.398 -9.052 -10.399 890 HB1 ALA 114 1HB ALA 114 -16.185 -6.500 -11.793 891 HB2 ALA 114 2HB ALA 114 -17.234 -7.485 -10.773 892 HB3 ALA 114 3HB ALA 114 -16.616 -8.136 -12.291 893 H GLU 115 HN GLU 115 -14.117 -6.158 -12.054 894 HA GLU 115 HA GLU 115 -12.572 -7.768 -13.855 895 HB2 GLU 115 2HB GLU 115 -11.733 -5.637 -14.720 896 HB3 GLU 115 1HB GLU 115 -13.483 -5.609 -14.560 897 HG2 GLU 115 2HG GLU 115 -13.309 -4.310 -12.525 898 HG3 GLU 115 1HG GLU 115 -11.549 -4.403 -12.590 899 H LEU 116 HN LEU 116 -12.043 -6.246 -10.817 900 HA LEU 116 HA LEU 116 -9.321 -5.838 -10.723 901 HG LEU 116 HG LEU 116 -8.564 -5.154 -8.498 902 HB2 LEU 116 2HB LEU 116 -11.105 -5.334 -8.976 903 HB3 LEU 116 1HB LEU 116 -10.943 -6.998 -8.458 904 HD11 LEU 116 1HD1 LEU 116 -9.025 -4.663 -6.143 905 HD12 LEU 116 2HD1 LEU 116 -10.567 -5.511 -6.270 906 HD13 LEU 116 3HD1 LEU 116 -10.292 -4.037 -7.199 907 HD21 LEU 116 3HD2 LEU 116 -8.150 -7.550 -8.235 908 HD22 LEU 116 1HD2 LEU 116 -9.262 -7.597 -6.867 909 HD23 LEU 116 2HD2 LEU 116 -7.766 -6.668 -6.757 910 H LEU 117 HN LEU 117 -11.129 -8.833 -10.315 911 HA LEU 117 HA LEU 117 -9.067 -10.461 -9.372 912 HG LEU 117 HG LEU 117 -12.249 -12.264 -8.862 913 HB2 LEU 117 2HB LEU 117 -11.556 -11.085 -10.944 914 HB3 LEU 117 1HB LEU 117 -10.451 -12.337 -10.419 915 HD11 LEU 117 1HD1 LEU 117 -11.102 -11.736 -6.772 916 HD12 LEU 117 2HD1 LEU 117 -9.853 -10.881 -7.677 917 HD13 LEU 117 3HD1 LEU 117 -10.062 -12.621 -7.886 918 HD21 LEU 117 3HD2 LEU 117 -12.871 -10.260 -7.618 919 HD22 LEU 117 1HD2 LEU 117 -13.095 -10.033 -9.352 920 HD23 LEU 117 2HD2 LEU 117 -11.701 -9.317 -8.542 921 H THR 118 HN THR 118 -9.944 -9.549 -12.662 922 HA THR 118 HA THR 118 -8.006 -11.375 -13.803 923 HB THR 118 HB THR 118 -9.598 -9.214 -15.197 924 HG1 THR 118 1HG THR 118 -11.210 -10.638 -15.364 925 HG21 THR 118 3HG2 THR 118 -9.206 -10.588 -17.198 926 HG22 THR 118 1HG2 THR 118 -8.224 -11.694 -16.240 927 HG23 THR 118 2HG2 THR 118 -7.689 -10.033 -16.486 928 H LEU 119 HN LEU 119 -8.437 -7.856 -13.550 929 HA LEU 119 HA LEU 119 -6.131 -7.167 -15.003 930 HG LEU 119 HG LEU 119 -8.229 -4.143 -14.976 931 HB2 LEU 119 2HB LEU 119 -7.937 -5.714 -13.124 932 HB3 LEU 119 1HB LEU 119 -6.424 -4.962 -13.584 933 HD11 LEU 119 1HD1 LEU 119 -7.282 -4.613 -17.172 934 HD12 LEU 119 2HD1 LEU 119 -6.393 -5.980 -16.501 935 HD13 LEU 119 3HD1 LEU 119 -6.020 -4.339 -15.972 936 HD21 LEU 119 3HD2 LEU 119 -9.747 -6.040 -14.845 937 HD22 LEU 119 1HD2 LEU 119 -8.631 -7.015 -15.804 938 HD23 LEU 119 2HD2 LEU 119 -9.425 -5.615 -16.526 939 H MET 120 HN MET 120 -6.641 -7.424 -11.475 940 HA MET 120 HA MET 120 -3.987 -6.482 -10.946 941 HB2 MET 120 2HB MET 120 -5.860 -6.057 -9.398 942 HB3 MET 120 1HB MET 120 -5.952 -7.780 -9.057 943 HG2 MET 120 2HG MET 120 -3.741 -7.745 -8.086 944 HG3 MET 120 1HG MET 120 -3.550 -6.047 -8.518 945 HE1 MET 120 3HE MET 120 -2.814 -5.657 -5.962 946 HE2 MET 120 1HE MET 120 -3.140 -7.341 -5.556 947 HE3 MET 120 2HE MET 120 -3.843 -6.047 -4.584 948 H ARG 121 HN ARG 121 -5.520 -9.656 -11.148 949 HA ARG 121 HA ARG 121 -3.474 -11.092 -9.853 950 HE ARG 121 HE ARG 121 -3.728 -16.112 -10.732 951 HB2 ARG 121 2HB ARG 121 -5.718 -12.042 -10.366 952 HB3 ARG 121 1HB ARG 121 -5.250 -12.137 -12.060 953 HG2 ARG 121 2HG ARG 121 -3.436 -13.655 -11.495 954 HG3 ARG 121 1HG ARG 121 -3.859 -13.541 -9.787 955 HD2 ARG 121 2HD ARG 121 -6.119 -14.439 -10.386 956 HD3 ARG 121 1HD ARG 121 -5.503 -14.731 -12.012 957 HH11 ARG 121 1HH1 ARG 121 -7.136 -15.838 -9.943 958 HH12 ARG 121 2HH1 ARG 121 -7.205 -17.385 -9.138 959 HH21 ARG 121 1HH2 ARG 121 -3.800 -18.124 -9.616 960 HH22 ARG 121 2HH2 ARG 121 -5.306 -18.661 -8.920 961 H SER 122 HN SER 122 -3.956 -10.277 -13.281 962 HA SER 122 HA SER 122 -1.810 -11.619 -14.369 963 HG SER 122 HG SER 122 -4.685 -10.178 -15.263 964 HB2 SER 122 2HB SER 122 -2.935 -8.930 -15.174 965 HB3 SER 122 1HB SER 122 -2.062 -10.056 -16.191 966 H ILE 123 HN ILE 123 -1.937 -8.654 -12.546 967 HA ILE 123 HA ILE 123 0.721 -7.801 -13.249 968 HB ILE 123 HB ILE 123 -1.156 -6.793 -11.103 969 HG12 ILE 123 2HG1 ILE 123 -2.078 -6.519 -13.352 970 HG13 ILE 123 1HG1 ILE 123 -1.620 -4.960 -12.681 971 HG21 ILE 123 1HG2 ILE 123 1.156 -6.229 -10.602 972 HG22 ILE 123 2HG2 ILE 123 0.248 -4.791 -11.065 973 HG23 ILE 123 3HG2 ILE 123 1.352 -5.545 -12.215 974 HD11 ILE 123 3HD1 ILE 123 0.412 -4.968 -14.018 975 HD12 ILE 123 1HD1 ILE 123 -1.020 -5.140 -15.031 976 HD13 ILE 123 2HD1 ILE 123 -0.019 -6.546 -14.673 977 H VAL 124 HN VAL 124 -0.854 -9.350 -10.472 978 HA VAL 124 HA VAL 124 1.585 -9.276 -8.909 979 HB VAL 124 HB VAL 124 0.337 -10.296 -7.128 980 HG11 VAL 124 1HG1 VAL 124 -1.351 -8.251 -8.553 981 HG12 VAL 124 2HG1 VAL 124 -0.012 -7.918 -7.457 982 HG13 VAL 124 3HG1 VAL 124 -1.480 -8.682 -6.849 983 HG21 VAL 124 3HG2 VAL 124 -1.999 -11.008 -7.398 984 HG22 VAL 124 1HG2 VAL 124 -0.893 -11.969 -8.382 985 HG23 VAL 124 2HG2 VAL 124 -1.874 -10.711 -9.133 986 H ASP 125 HN ASP 125 0.272 -11.327 -11.220 987 HA ASP 125 HA ASP 125 1.084 -13.851 -10.204 988 HB2 ASP 125 2HB ASP 125 -0.616 -13.584 -11.980 989 HB3 ASP 125 1HB ASP 125 0.637 -13.013 -13.078 990 H THR 126 HN THR 126 2.630 -11.386 -12.112 991 HA THR 126 HA THR 126 4.657 -11.164 -13.086 992 HB THR 126 HB THR 126 6.610 -11.810 -11.651 993 HG1 THR 126 1HG THR 126 4.727 -13.353 -10.463 994 HG21 THR 126 3HG2 THR 126 5.523 -9.635 -11.425 995 HG22 THR 126 1HG2 THR 126 6.080 -10.228 -9.860 996 HG23 THR 126 2HG2 THR 126 4.370 -10.323 -10.281 997 HA PRO 127 HA PRO 127 4.687 -15.353 -15.004 998 HB2 PRO 127 2HB PRO 127 4.881 -14.399 -17.558 999 HB3 PRO 127 1HB PRO 127 3.346 -14.659 -16.724 1000 HG2 PRO 127 2HG PRO 127 4.884 -12.126 -17.122 1001 HG3 PRO 127 1HG PRO 127 3.135 -12.404 -17.222 1002 HD2 PRO 127 2HD PRO 127 4.303 -11.280 -15.060 1003 HD3 PRO 127 1HD PRO 127 2.864 -12.312 -14.936 1004 H ALA 128 HN ALA 128 6.725 -12.535 -15.507 1005 HA ALA 128 HA ALA 128 9.077 -14.229 -15.551 1006 HB1 ALA 128 1HB ALA 128 8.497 -12.324 -17.821 1007 HB2 ALA 128 2HB ALA 128 8.457 -14.084 -17.924 1008 HB3 ALA 128 3HB ALA 128 9.979 -13.254 -17.598 1009 H ALA 129 HN ALA 129 11.005 -13.067 -15.062 1010 HA ALA 129 HA ALA 129 10.667 -10.232 -14.403 1011 HB1 ALA 129 1HB ALA 129 11.844 -12.253 -12.500 1012 HB2 ALA 129 2HB ALA 129 10.263 -11.491 -12.335 1013 HB3 ALA 129 3HB ALA 129 11.728 -10.515 -12.234 1014 H GLN 130 HN GLN 130 13.183 -12.716 -13.940 1015 HA GLN 130 HA GLN 130 15.412 -12.742 -14.412 1016 HB2 GLN 130 2HB GLN 130 14.392 -12.769 -16.753 1017 HB3 GLN 130 1HB GLN 130 14.734 -11.046 -16.823 1018 HG2 GLN 130 2HG GLN 130 17.138 -11.595 -16.399 1019 HG3 GLN 130 1HG GLN 130 16.713 -13.296 -16.575 1020 HE21 GLN 130 1HE2 GLN 130 14.732 -12.747 -18.664 1021 HE22 GLN 130 2HE2 GLN 130 15.645 -12.383 -20.090 1022 H GLU 131 HN GLU 131 14.287 -10.544 -12.814 1023 HA GLU 131 HA GLU 131 16.336 -8.492 -13.279 1024 HB2 GLU 131 2HB GLU 131 14.234 -7.614 -14.087 1025 HB3 GLU 131 1HB GLU 131 13.425 -8.067 -12.593 1026 HG2 GLU 131 2HG GLU 131 14.929 -6.478 -11.392 1027 HG3 GLU 131 1HG GLU 131 15.516 -5.936 -12.962 1028 H THR 132 HN THR 132 17.695 -8.886 -11.630 1029 HA THR 132 HA THR 132 16.539 -8.467 -8.951 1030 HB THR 132 HB THR 132 17.585 -10.703 -9.122 1031 HG1 THR 132 1HG THR 132 18.488 -8.692 -7.409 1032 HG21 THR 132 3HG2 THR 132 20.111 -9.151 -9.701 1033 HG22 THR 132 1HG2 THR 132 19.284 -10.252 -10.804 1034 HG23 THR 132 2HG2 THR 132 20.038 -10.874 -9.336 1035 H VAL 133 HN VAL 133 18.281 -7.173 -11.436 1036 HA VAL 133 HA VAL 133 19.840 -5.399 -9.693 1037 HB VAL 133 HB VAL 133 21.115 -4.781 -11.724 1038 HG11 VAL 133 1HG1 VAL 133 21.057 -7.742 -11.156 1039 HG12 VAL 133 2HG1 VAL 133 21.954 -6.527 -10.245 1040 HG13 VAL 133 3HG1 VAL 133 22.381 -6.864 -11.923 1041 HG21 VAL 133 3HG2 VAL 133 19.521 -6.970 -13.060 1042 HG22 VAL 133 1HG2 VAL 133 20.904 -6.130 -13.761 1043 HG23 VAL 133 2HG2 VAL 133 19.420 -5.245 -13.414 1044 H GLN 134 HN GLN 134 19.462 -3.251 -9.680 1045 HA GLN 134 HA GLN 134 17.466 -2.190 -11.564 1046 HB2 GLN 134 2HB GLN 134 17.607 -1.498 -8.624 1047 HB3 GLN 134 1HB GLN 134 16.427 -0.914 -9.786 1048 HG2 GLN 134 2HG GLN 134 15.541 -3.170 -10.032 1049 HG3 GLN 134 1HG GLN 134 16.732 -3.766 -8.877 1050 HE21 GLN 134 1HE2 GLN 134 13.856 -3.887 -8.732 1051 HE22 GLN 134 2HE2 GLN 134 13.399 -3.060 -7.287 1052 H LEU 135 HN LEU 135 17.517 0.206 -11.680 1053 HA LEU 135 HA LEU 135 20.136 1.251 -11.930 1054 HG LEU 135 HG LEU 135 18.623 4.154 -13.630 1055 HB2 LEU 135 2HB LEU 135 17.948 1.973 -13.106 1056 HB3 LEU 135 1HB LEU 135 17.628 2.903 -11.659 1057 HD11 LEU 135 1HD1 LEU 135 18.597 5.114 -11.406 1058 HD12 LEU 135 2HD1 LEU 135 20.100 5.517 -12.236 1059 HD13 LEU 135 3HD1 LEU 135 20.085 4.260 -11.000 1060 HD21 LEU 135 3HD2 LEU 135 21.038 4.017 -13.930 1061 HD22 LEU 135 1HD2 LEU 135 20.261 2.476 -14.296 1062 HD23 LEU 135 2HD2 LEU 135 21.113 2.692 -12.769 1063 H GLU 136 HN GLU 136 21.290 2.593 -10.556 1064 HA GLU 136 HA GLU 136 21.070 2.080 -7.835 1065 HB2 GLU 136 2HB GLU 136 22.497 4.349 -9.222 1066 HB3 GLU 136 1HB GLU 136 22.731 3.896 -7.540 1067 HG2 GLU 136 2HG GLU 136 23.464 1.655 -8.304 1068 HG3 GLU 136 1HG GLU 136 23.366 2.238 -9.965 1069 H HIS 137 HN HIS 137 19.527 2.672 -6.520 1070 HA HIS 137 HA HIS 137 18.183 5.234 -6.816 1071 HD1 HIS 137 1HD HIS 137 14.815 4.828 -5.727 1072 HD2 HIS 137 2HD HIS 137 16.958 1.879 -7.734 1073 HE1 HIS 137 1HE HIS 137 13.277 3.979 -7.529 1074 HE2 HIS 137 2HE HIS 137 14.670 2.348 -8.860 1075 HB2 HIS 137 2HB HIS 137 17.753 2.831 -5.057 1076 HB3 HIS 137 1HB HIS 137 16.996 4.369 -4.656 1077 H HIS 138 HN HIS 138 20.612 3.680 -4.900 1078 HA HIS 138 HA HIS 138 20.751 5.938 -3.049 1079 HD1 HIS 138 1HD HIS 138 21.027 4.440 0.080 1080 HD2 HIS 138 2HD HIS 138 19.707 2.094 -3.091 1081 HE1 HIS 138 1HE HIS 138 19.106 3.080 0.987 1082 HE2 HIS 138 2HE HIS 138 18.452 1.536 -0.903 1083 HB2 HIS 138 2HB HIS 138 22.328 3.354 -3.154 1084 HB3 HIS 138 1HB HIS 138 22.526 4.596 -1.922 1085 H HIS 139 HN HIS 139 22.701 4.241 -5.446 1086 HA HIS 139 HA HIS 139 24.154 4.983 -7.012 1087 HD1 HIS 139 1HD HIS 139 24.669 9.584 -7.290 1088 HD2 HIS 139 2HD HIS 139 24.947 5.914 -9.232 1089 HE1 HIS 139 1HE HIS 139 26.177 9.972 -9.267 1090 HE2 HIS 139 2HE HIS 139 26.351 7.739 -10.420 1091 HB2 HIS 139 2HB HIS 139 22.606 6.904 -7.264 1092 HB3 HIS 139 1HB HIS 139 23.519 7.773 -6.037 1093 H HIS 140 HN HIS 140 24.644 7.198 -4.239 1094 HA HIS 140 HA HIS 140 27.396 6.183 -4.059 1095 HD1 HIS 140 1HD HIS 140 28.897 10.117 -2.859 1096 HD2 HIS 140 2HD HIS 140 29.725 6.776 -5.190 1097 HE1 HIS 140 1HE HIS 140 31.397 9.856 -2.808 1098 HE2 HIS 140 2HE HIS 140 31.856 7.726 -4.075 1099 HB2 HIS 140 2HB HIS 140 27.148 8.404 -5.392 1100 HB3 HIS 140 1HB HIS 140 26.843 9.131 -3.817 1101 H HIS 141 HN HIS 141 28.143 5.988 -1.999 1102 HA HIS 141 HA HIS 141 26.211 6.707 0.112 1103 HD1 HIS 141 1HD HIS 141 28.718 3.994 2.462 1104 HD2 HIS 141 2HD HIS 141 24.694 4.898 1.904 1105 HE1 HIS 141 1HE HIS 141 27.634 3.708 4.721 1106 HE2 HIS 141 2HE HIS 141 25.201 4.293 4.367 1107 HB2 HIS 141 2HB HIS 141 26.458 4.268 -0.352 1108 HB3 HIS 141 1HB HIS 141 28.159 4.388 0.076 1109 H HIS 142 HN HIS 142 27.000 7.452 2.103 1110 HA HIS 142 HA HIS 142 29.722 8.532 2.026 1111 HD1 HIS 142 1HD HIS 142 29.621 11.827 2.782 1112 HD2 HIS 142 2HD HIS 142 26.111 10.089 1.389 1113 HE1 HIS 142 1HE HIS 142 28.666 13.463 1.126 1114 HE2 HIS 142 2HE HIS 142 26.504 12.424 0.347 1115 HB2 HIS 142 2HB HIS 142 27.356 9.138 3.809 1116 HB3 HIS 142 1HB HIS 142 28.962 9.797 4.089 Start of MODEL 3 1 HA MET 1 HA MET 1 -11.590 18.169 2.096 2 H1 MET 1 1HT MET 1 -10.937 17.219 -0.014 3 H2 MET 1 2HT MET 1 -9.470 16.693 0.656 4 H3 MET 1 3HT MET 1 -9.802 18.353 0.531 5 HB2 MET 1 2HB MET 1 -10.822 15.259 2.010 6 HB3 MET 1 1HB MET 1 -11.657 15.944 3.397 7 HG2 MET 1 2HG MET 1 -13.241 14.893 1.929 8 HG3 MET 1 1HG MET 1 -13.499 16.635 1.926 9 HE1 MET 1 3HE MET 1 -10.759 14.480 0.028 10 HE2 MET 1 1HE MET 1 -11.576 14.240 -1.517 11 HE3 MET 1 2HE MET 1 -12.239 13.521 -0.048 12 H ALA 2 HN ALA 2 -11.123 17.415 4.576 13 HA ALA 2 HA ALA 2 -8.799 18.844 5.314 14 HB1 ALA 2 1HB ALA 2 -9.345 18.177 7.599 15 HB2 ALA 2 2HB ALA 2 -10.501 16.994 6.984 16 HB3 ALA 2 3HB ALA 2 -10.786 18.717 6.735 17 H ASN 3 HN ASN 3 -6.826 18.138 4.946 18 HA ASN 3 HA ASN 3 -6.198 15.298 4.967 19 HB2 ASN 3 2HB ASN 3 -5.256 16.732 3.206 20 HB3 ASN 3 1HB ASN 3 -4.463 17.724 4.423 21 HD21 ASN 3 1HD2 ASN 3 -2.397 17.374 3.804 22 HD22 ASN 3 2HD2 ASN 3 -1.619 15.827 3.877 23 H ASP 4 HN ASP 4 -5.696 18.164 6.867 24 HA ASP 4 HA ASP 4 -3.610 17.017 8.492 25 HB2 ASP 4 2HB ASP 4 -5.102 19.642 8.669 26 HB3 ASP 4 1HB ASP 4 -3.761 19.190 9.718 27 H THR 5 HN THR 5 -6.064 15.550 8.608 28 HA THR 5 HA THR 5 -6.641 15.913 11.473 29 HB THR 5 HB THR 5 -8.893 14.826 10.965 30 HG1 THR 5 1HG THR 5 -8.192 14.274 8.736 31 HG21 THR 5 3HG2 THR 5 -8.309 17.590 9.897 32 HG22 THR 5 1HG2 THR 5 -8.710 17.170 11.561 33 HG23 THR 5 2HG2 THR 5 -9.914 16.969 10.288 34 HA PRO 6 HA PRO 6 -5.107 11.600 10.850 35 HB2 PRO 6 2HB PRO 6 -2.906 11.698 12.353 36 HB3 PRO 6 1HB PRO 6 -2.917 12.366 10.717 37 HG2 PRO 6 2HG PRO 6 -3.090 13.776 13.342 38 HG3 PRO 6 1HG PRO 6 -2.228 14.249 11.869 39 HD2 PRO 6 2HD PRO 6 -4.717 15.208 12.668 40 HD3 PRO 6 1HD PRO 6 -4.055 15.304 11.025 41 H PHE 7 HN PHE 7 -6.428 13.413 13.243 42 HA PHE 7 HA PHE 7 -6.297 11.258 15.240 43 HD1 PHE 7 1HD PHE 7 -4.323 11.808 16.564 44 HD2 PHE 7 2HD PHE 7 -5.525 15.731 15.443 45 HE1 PHE 7 1HE PHE 7 -1.973 12.542 16.623 46 HE2 PHE 7 2HE PHE 7 -3.181 16.477 15.504 47 HZ PHE 7 HZ PHE 7 -1.402 14.879 16.093 48 HB2 PHE 7 2HB PHE 7 -7.128 14.128 15.718 49 HB3 PHE 7 1HB PHE 7 -6.782 12.899 16.933 50 H SER 8 HN SER 8 -7.882 10.491 13.422 51 HA SER 8 HA SER 8 -10.593 11.339 14.168 52 HG SER 8 HG SER 8 -8.694 11.163 10.868 53 HB2 SER 8 2HB SER 8 -11.221 10.721 11.795 54 HB3 SER 8 1HB SER 8 -10.197 12.147 11.951 55 H ALA 9 HN ALA 9 -12.204 9.743 14.169 56 HA ALA 9 HA ALA 9 -11.396 7.243 15.203 57 HB1 ALA 9 1HB ALA 9 -13.515 8.282 15.807 58 HB2 ALA 9 2HB ALA 9 -13.779 6.670 15.141 59 HB3 ALA 9 3HB ALA 9 -14.092 8.097 14.151 60 H LEU 10 HN LEU 10 -12.170 8.333 11.991 61 HA LEU 10 HA LEU 10 -12.496 5.788 10.787 62 HG LEU 10 HG LEU 10 -11.061 6.570 8.059 63 HB2 LEU 10 2HB LEU 10 -13.266 7.825 9.702 64 HB3 LEU 10 1HB LEU 10 -11.621 8.420 9.598 65 HD11 LEU 10 1HD1 LEU 10 -12.684 4.929 8.817 66 HD12 LEU 10 2HD1 LEU 10 -12.875 5.231 7.089 67 HD13 LEU 10 3HD1 LEU 10 -14.007 5.945 8.240 68 HD21 LEU 10 3HD2 LEU 10 -13.429 8.240 7.226 69 HD22 LEU 10 1HD2 LEU 10 -12.309 7.421 6.135 70 HD23 LEU 10 2HD2 LEU 10 -11.736 8.730 7.170 71 H TRP 11 HN TRP 11 -9.706 7.942 11.133 72 HA TRP 11 HA TRP 11 -7.912 6.319 9.678 73 HD1 TRP 11 1HD TRP 11 -5.112 8.440 12.744 74 HE1 TRP 11 1HE TRP 11 -2.794 7.596 12.021 75 HE3 TRP 11 3HE TRP 11 -6.324 6.597 8.141 76 HZ2 TRP 11 2HZ TRP 11 -1.630 6.322 9.789 77 HZ3 TRP 11 3HZ TRP 11 -4.552 5.583 6.773 78 HH2 TRP 11 2HH TRP 11 -2.253 5.451 7.584 79 HB2 TRP 11 2HB TRP 11 -7.402 8.647 9.974 80 HB3 TRP 11 1HB TRP 11 -7.442 8.485 11.728 81 H GLN 12 HN GLN 12 -8.203 6.845 13.194 82 HA GLN 12 HA GLN 12 -6.336 5.020 14.066 83 HB2 GLN 12 2HB GLN 12 -7.503 6.600 15.540 84 HB3 GLN 12 1HB GLN 12 -8.986 5.669 15.368 85 HG2 GLN 12 2HG GLN 12 -7.843 3.734 16.397 86 HG3 GLN 12 1HG GLN 12 -6.424 4.751 16.654 87 HE21 GLN 12 1HE2 GLN 12 -6.501 6.382 18.186 88 HE22 GLN 12 2HE2 GLN 12 -7.712 6.427 19.424 89 H ARG 13 HN ARG 13 -9.684 4.401 13.106 90 HA ARG 13 HA ARG 13 -9.849 1.762 14.040 91 HE ARG 13 HE ARG 13 -13.638 2.181 14.895 92 HB2 ARG 13 2HB ARG 13 -11.730 3.300 13.231 93 HB3 ARG 13 1HB ARG 13 -11.299 2.780 11.607 94 HG2 ARG 13 2HG ARG 13 -13.161 1.488 12.507 95 HG3 ARG 13 1HG ARG 13 -11.750 0.470 12.206 96 HD2 ARG 13 2HD ARG 13 -12.741 -0.100 14.338 97 HD3 ARG 13 1HD ARG 13 -11.154 0.619 14.581 98 HH11 ARG 13 1HH1 ARG 13 -10.499 1.123 16.054 99 HH12 ARG 13 2HH1 ARG 13 -10.570 2.074 17.502 100 HH21 ARG 13 1HH2 ARG 13 -13.718 3.453 16.811 101 HH22 ARG 13 2HH2 ARG 13 -12.384 3.404 17.929 102 H LEU 14 HN LEU 14 -8.582 3.100 11.046 103 HA LEU 14 HA LEU 14 -8.293 0.637 9.673 104 HG LEU 14 HG LEU 14 -9.076 3.553 8.851 105 HB2 LEU 14 2HB LEU 14 -6.700 3.193 9.400 106 HB3 LEU 14 1HB LEU 14 -6.648 1.848 8.276 107 HD11 LEU 14 1HD1 LEU 14 -7.361 4.772 7.628 108 HD12 LEU 14 2HD1 LEU 14 -8.731 4.401 6.580 109 HD13 LEU 14 3HD1 LEU 14 -7.244 3.461 6.456 110 HD21 LEU 14 3HD2 LEU 14 -9.644 1.242 8.260 111 HD22 LEU 14 1HD2 LEU 14 -8.652 1.370 6.808 112 HD23 LEU 14 2HD2 LEU 14 -10.096 2.369 6.982 113 H LEU 15 HN LEU 15 -6.241 2.450 11.869 114 HA LEU 15 HA LEU 15 -3.979 0.743 11.710 115 HG LEU 15 HG LEU 15 -4.622 3.897 11.953 116 HB2 LEU 15 2HB LEU 15 -4.846 2.542 13.981 117 HB3 LEU 15 1HB LEU 15 -3.238 1.889 13.740 118 HD11 LEU 15 1HD1 LEU 15 -2.288 4.193 13.838 119 HD12 LEU 15 2HD1 LEU 15 -3.912 4.829 14.092 120 HD13 LEU 15 3HD1 LEU 15 -2.923 5.444 12.769 121 HD21 LEU 15 3HD2 LEU 15 -2.457 4.034 10.801 122 HD22 LEU 15 1HD2 LEU 15 -3.175 2.430 10.661 123 HD23 LEU 15 2HD2 LEU 15 -1.852 2.708 11.792 124 H THR 16 HN THR 16 -6.779 0.926 13.849 125 HA THR 16 HA THR 16 -6.145 -1.046 15.700 126 HB THR 16 HB THR 16 -8.900 -0.476 14.580 127 HG1 THR 16 1HG THR 16 -7.286 0.878 16.477 128 HG21 THR 16 3HG2 THR 16 -9.689 -1.183 16.788 129 HG22 THR 16 1HG2 THR 16 -8.032 -1.540 17.270 130 HG23 THR 16 2HG2 THR 16 -8.799 -2.478 15.991 131 H ARG 17 HN ARG 17 -7.223 -1.346 12.400 132 HA ARG 17 HA ARG 17 -8.128 -4.041 12.646 133 HE ARG 17 HE ARG 17 -10.521 -1.984 9.345 134 HB2 ARG 17 2HB ARG 17 -8.918 -2.332 10.948 135 HB3 ARG 17 1HB ARG 17 -7.410 -2.615 10.090 136 HG2 ARG 17 2HG ARG 17 -7.982 -4.896 9.694 137 HG3 ARG 17 1HG ARG 17 -9.395 -4.777 10.743 138 HD2 ARG 17 2HD ARG 17 -8.985 -3.293 8.149 139 HD3 ARG 17 1HD ARG 17 -10.018 -4.701 8.382 140 HH11 ARG 17 1HH1 ARG 17 -11.559 -5.325 9.170 141 HH12 ARG 17 2HH1 ARG 17 -13.229 -4.952 9.479 142 HH21 ARG 17 1HH2 ARG 17 -12.718 -1.493 9.764 143 HH22 ARG 17 2HH2 ARG 17 -13.885 -2.786 9.832 144 H GLY 18 HN GLY 18 -5.036 -2.670 12.442 145 HA2 GLY 18 2HA GLY 18 -3.256 -4.293 12.955 146 HA3 GLY 18 1HA GLY 18 -3.956 -5.328 11.722 147 H TRP 19 HN TRP 19 -4.013 -2.095 10.791 148 HA TRP 19 HA TRP 19 -1.747 -2.550 8.995 149 HD1 TRP 19 1HD TRP 19 -3.354 -4.047 8.314 150 HE1 TRP 19 1HE TRP 19 -5.163 -4.976 6.744 151 HE3 TRP 19 3HE TRP 19 -5.327 0.361 6.677 152 HZ2 TRP 19 2HZ TRP 19 -7.159 -3.965 5.018 153 HZ3 TRP 19 3HZ TRP 19 -7.177 0.300 5.064 154 HH2 TRP 19 2HH TRP 19 -8.067 -1.816 4.246 155 HB2 TRP 19 2HB TRP 19 -3.920 -0.447 8.929 156 HB3 TRP 19 1HB TRP 19 -2.648 -0.629 7.726 157 H GLN 20 HN GLN 20 0.054 -1.293 8.993 158 HA GLN 20 HA GLN 20 0.228 0.762 11.075 159 HB2 GLN 20 2HB GLN 20 2.161 -1.206 9.960 160 HB3 GLN 20 1HB GLN 20 2.790 0.349 10.466 161 HG2 GLN 20 2HG GLN 20 3.031 -1.141 12.289 162 HG3 GLN 20 1HG GLN 20 1.726 -0.030 12.693 163 HE21 GLN 20 1HE2 GLN 20 0.745 -1.357 14.147 164 HE22 GLN 20 2HE2 GLN 20 -0.063 -2.825 13.699 165 HA PRO 21 HA PRO 21 0.701 3.753 7.850 166 HB2 PRO 21 2HB PRO 21 1.647 5.819 9.305 167 HB3 PRO 21 1HB PRO 21 -0.028 5.269 9.417 168 HG2 PRO 21 2HG PRO 21 2.259 4.764 11.258 169 HG3 PRO 21 1HG PRO 21 0.556 5.070 11.641 170 HD2 PRO 21 2HD PRO 21 1.732 2.576 11.617 171 HD3 PRO 21 1HD PRO 21 -0.006 2.872 11.412 172 H VAL 22 HN VAL 22 2.218 3.915 6.352 173 HA VAL 22 HA VAL 22 5.042 3.921 7.181 174 HB VAL 22 HB VAL 22 5.584 3.137 4.898 175 HG11 VAL 22 1HG1 VAL 22 3.651 1.385 6.405 176 HG12 VAL 22 2HG1 VAL 22 5.385 1.521 6.696 177 HG13 VAL 22 3HG1 VAL 22 4.795 0.830 5.183 178 HG21 VAL 22 3HG2 VAL 22 2.593 2.886 4.583 179 HG22 VAL 22 1HG2 VAL 22 3.794 2.244 3.464 180 HG23 VAL 22 2HG2 VAL 22 3.649 3.987 3.698 181 H GLU 23 HN GLU 23 6.458 5.093 5.524 182 HA GLU 23 HA GLU 23 5.147 7.533 4.567 183 HB2 GLU 23 2HB GLU 23 7.636 7.492 6.280 184 HB3 GLU 23 1HB GLU 23 6.885 8.917 5.590 185 HG2 GLU 23 2HG GLU 23 4.889 8.500 6.966 186 HG3 GLU 23 1HG GLU 23 5.710 7.120 7.695 187 H ALA 24 HN ALA 24 6.699 8.830 3.189 188 HA ALA 24 HA ALA 24 8.023 7.094 1.339 189 HB1 ALA 24 1HB ALA 24 6.931 9.160 0.602 190 HB2 ALA 24 2HB ALA 24 8.638 9.140 0.156 191 HB3 ALA 24 3HB ALA 24 8.096 10.108 1.528 192 H SER 25 HN SER 25 8.885 8.762 4.180 193 HA SER 25 HA SER 25 11.663 9.023 3.817 194 HG SER 25 HG SER 25 11.781 9.241 7.440 195 HB2 SER 25 2HB SER 25 10.439 10.232 5.560 196 HB3 SER 25 1HB SER 25 10.036 8.714 6.356 197 H THR 26 HN THR 26 9.654 6.314 4.869 198 HA THR 26 HA THR 26 12.114 4.717 5.174 199 HB THR 26 HB THR 26 11.227 5.292 7.391 200 HG1 THR 26 1HG THR 26 10.944 2.562 6.623 201 HG21 THR 26 3HG2 THR 26 8.744 3.839 6.482 202 HG22 THR 26 1HG2 THR 26 8.879 5.562 6.830 203 HG23 THR 26 2HG2 THR 26 9.065 4.382 8.129 204 H VAL 27 HN VAL 27 9.738 5.040 3.132 205 HA VAL 27 HA VAL 27 8.383 2.550 3.156 206 HB VAL 27 HB VAL 27 7.468 4.536 2.036 207 HG11 VAL 27 1HG1 VAL 27 9.621 4.068 -0.028 208 HG12 VAL 27 2HG1 VAL 27 9.511 5.442 1.075 209 HG13 VAL 27 3HG1 VAL 27 8.284 5.212 -0.172 210 HG21 VAL 27 3HG2 VAL 27 6.612 2.352 1.428 211 HG22 VAL 27 1HG2 VAL 27 7.873 2.170 0.208 212 HG23 VAL 27 2HG2 VAL 27 6.633 3.409 0.019 213 H ASP 28 HN ASP 28 11.352 3.656 1.649 214 HA ASP 28 HA ASP 28 11.765 1.564 -0.155 215 HB2 ASP 28 2HB ASP 28 13.123 3.561 -0.241 216 HB3 ASP 28 1HB ASP 28 13.759 3.249 1.372 217 H ASP 29 HN ASP 29 12.865 1.889 3.219 218 HA ASP 29 HA ASP 29 14.106 -0.611 3.439 219 HB2 ASP 29 2HB ASP 29 14.422 1.068 5.158 220 HB3 ASP 29 1HB ASP 29 12.706 1.041 5.552 221 H TRP 30 HN TRP 30 10.780 0.383 4.114 222 HA TRP 30 HA TRP 30 9.812 -1.998 5.157 223 HD1 TRP 30 1HD TRP 30 7.449 -1.363 6.946 224 HE1 TRP 30 1HE TRP 30 5.239 -2.682 6.889 225 HE3 TRP 30 3HE TRP 30 6.683 -1.422 1.890 226 HZ2 TRP 30 2HZ TRP 30 3.416 -3.625 4.946 227 HZ3 TRP 30 3HZ TRP 30 4.682 -2.555 1.015 228 HH2 TRP 30 2HH TRP 30 3.083 -3.634 2.513 229 HB2 TRP 30 2HB TRP 30 8.619 0.224 5.070 230 HB3 TRP 30 1HB TRP 30 8.233 -0.123 3.387 231 H ILE 31 HN ILE 31 9.899 -0.929 1.768 232 HA ILE 31 HA ILE 31 8.662 -3.154 0.616 233 HB ILE 31 HB ILE 31 10.824 -1.394 -0.554 234 HG12 ILE 31 2HG1 ILE 31 7.816 -1.252 -0.861 235 HG13 ILE 31 1HG1 ILE 31 8.758 -0.222 0.212 236 HG21 ILE 31 1HG2 ILE 31 10.611 -3.498 -1.776 237 HG22 ILE 31 2HG2 ILE 31 10.016 -2.142 -2.733 238 HG23 ILE 31 3HG2 ILE 31 8.875 -3.231 -1.943 239 HD11 ILE 31 3HD1 ILE 31 9.917 0.734 -1.687 240 HD12 ILE 31 1HD1 ILE 31 8.171 0.896 -1.880 241 HD13 ILE 31 2HD1 ILE 31 9.046 -0.342 -2.780 242 H LYS 32 HN LYS 32 12.096 -2.553 1.280 243 HA LYS 32 HA LYS 32 13.014 -5.018 0.215 244 HB2 LYS 32 2HB LYS 32 14.522 -3.142 0.449 245 HB3 LYS 32 1HB LYS 32 14.258 -3.090 2.187 246 HG2 LYS 32 2HG LYS 32 16.420 -4.100 1.537 247 HG3 LYS 32 1HG LYS 32 15.393 -5.178 2.481 248 HD2 LYS 32 2HD LYS 32 14.604 -6.162 0.325 249 HD3 LYS 32 1HD LYS 32 15.857 -5.219 -0.482 250 HE2 LYS 32 2HE LYS 32 17.563 -6.334 0.863 251 HE3 LYS 32 1HE LYS 32 16.312 -7.277 1.671 252 HZ1 LYS 32 3HZ LYS 32 17.176 -8.655 -0.008 253 HZ2 LYS 32 1HZ LYS 32 17.152 -7.413 -1.167 254 HZ3 LYS 32 2HZ LYS 32 15.700 -8.088 -0.622 255 H ARG 33 HN ARG 33 11.962 -3.986 3.353 256 HA ARG 33 HA ARG 33 12.915 -6.156 4.888 257 HE ARG 33 HE ARG 33 11.092 -5.645 9.666 258 HB2 ARG 33 2HB ARG 33 12.221 -3.916 5.729 259 HB3 ARG 33 1HB ARG 33 10.557 -4.344 5.402 260 HG2 ARG 33 2HG ARG 33 10.646 -6.110 7.049 261 HG3 ARG 33 1HG ARG 33 12.354 -5.764 7.353 262 HD2 ARG 33 2HD ARG 33 11.842 -3.604 8.208 263 HD3 ARG 33 1HD ARG 33 10.169 -3.719 7.673 264 HH11 ARG 33 1HH1 ARG 33 9.356 -2.700 8.945 265 HH12 ARG 33 2HH1 ARG 33 8.355 -2.781 10.370 266 HH21 ARG 33 1HH2 ARG 33 9.817 -5.723 11.605 267 HH22 ARG 33 2HH2 ARG 33 8.629 -4.485 11.875 268 H VAL 34 HN VAL 34 9.772 -5.452 3.431 269 HA VAL 34 HA VAL 34 8.735 -8.019 4.331 270 HB VAL 34 HB VAL 34 6.583 -7.313 3.501 271 HG11 VAL 34 1HG1 VAL 34 6.260 -5.296 4.873 272 HG12 VAL 34 2HG1 VAL 34 8.008 -5.092 4.963 273 HG13 VAL 34 3HG1 VAL 34 7.249 -6.508 5.691 274 HG21 VAL 34 3HG2 VAL 34 7.985 -4.877 2.395 275 HG22 VAL 34 1HG2 VAL 34 6.243 -5.148 2.414 276 HG23 VAL 34 2HG2 VAL 34 7.286 -6.191 1.446 277 H GLY 35 HN GLY 35 9.649 -6.492 1.279 278 HA2 GLY 35 2HA GLY 35 10.291 -7.557 -0.677 279 HA3 GLY 35 1HA GLY 35 9.806 -9.093 0.023 280 H ASP 36 HN ASP 36 7.250 -8.818 0.614 281 HA ASP 36 HA ASP 36 5.944 -8.099 -1.917 282 HB2 ASP 36 2HB ASP 36 5.143 -10.417 -0.158 283 HB3 ASP 36 1HB ASP 36 4.608 -10.065 -1.787 284 H GLY 37 HN GLY 37 4.133 -6.869 -1.706 285 HA2 GLY 37 2HA GLY 37 2.271 -6.965 0.335 286 HA3 GLY 37 1HA GLY 37 3.483 -5.803 0.856 287 H VAL 38 HN VAL 38 1.213 -4.667 0.703 288 HA VAL 38 HA VAL 38 1.263 -3.190 -1.833 289 HB VAL 38 HB VAL 38 -1.238 -2.980 -1.709 290 HG11 VAL 38 1HG1 VAL 38 -0.181 -4.442 -3.325 291 HG12 VAL 38 2HG1 VAL 38 -1.674 -5.166 -2.726 292 HG13 VAL 38 3HG1 VAL 38 -0.115 -5.744 -2.136 293 HG21 VAL 38 3HG2 VAL 38 -0.966 -5.267 0.242 294 HG22 VAL 38 1HG2 VAL 38 -2.477 -4.683 -0.458 295 HG23 VAL 38 2HG2 VAL 38 -1.542 -3.643 0.618 296 H ILE 39 HN ILE 39 1.104 -1.051 -1.649 297 HA ILE 39 HA ILE 39 0.732 0.049 1.050 298 HB ILE 39 HB ILE 39 2.071 1.292 -1.370 299 HG12 ILE 39 2HG1 ILE 39 4.044 1.330 0.302 300 HG13 ILE 39 1HG1 ILE 39 3.122 0.134 1.203 301 HG21 ILE 39 1HG2 ILE 39 0.874 2.971 -0.059 302 HG22 ILE 39 2HG2 ILE 39 2.621 3.173 0.076 303 HG23 ILE 39 3HG2 ILE 39 1.715 2.435 1.396 304 HD11 ILE 39 3HD1 ILE 39 4.069 -0.146 -1.637 305 HD12 ILE 39 1HD1 ILE 39 3.150 -1.348 -0.729 306 HD13 ILE 39 2HD1 ILE 39 4.782 -0.913 -0.219 307 H LEU 40 HN LEU 40 -1.185 0.906 1.440 308 HA LEU 40 HA LEU 40 -2.940 1.679 -0.728 309 HG LEU 40 HG LEU 40 -3.295 -0.484 1.611 310 HB2 LEU 40 2HB LEU 40 -3.297 1.866 2.266 311 HB3 LEU 40 1HB LEU 40 -4.537 2.221 1.080 312 HD11 LEU 40 1HD1 LEU 40 -6.052 0.608 2.095 313 HD12 LEU 40 2HD1 LEU 40 -4.855 0.193 3.323 314 HD13 LEU 40 3HD1 LEU 40 -5.565 -1.070 2.319 315 HD21 LEU 40 3HD2 LEU 40 -4.868 -1.352 -0.018 316 HD22 LEU 40 1HD2 LEU 40 -3.805 -0.168 -0.776 317 HD23 LEU 40 2HD2 LEU 40 -5.455 0.278 -0.349 318 H LEU 41 HN LEU 41 -3.038 3.661 -1.560 319 HA LEU 41 HA LEU 41 -1.493 5.787 -0.433 320 HG LEU 41 HG LEU 41 -1.116 4.669 -3.162 321 HB2 LEU 41 2HB LEU 41 -3.345 5.629 -2.798 322 HB3 LEU 41 1HB LEU 41 -2.615 7.142 -2.290 323 HD11 LEU 41 1HD1 LEU 41 -1.489 7.337 -4.513 324 HD12 LEU 41 2HD1 LEU 41 -2.228 5.812 -5.008 325 HD13 LEU 41 3HD1 LEU 41 -0.477 6.014 -5.092 326 HD21 LEU 41 3HD2 LEU 41 -0.100 7.405 -2.398 327 HD22 LEU 41 1HD2 LEU 41 0.873 6.074 -3.020 328 HD23 LEU 41 2HD2 LEU 41 0.090 5.932 -1.446 329 H SER 42 HN SER 42 -3.142 7.995 -0.989 330 HA SER 42 HA SER 42 -4.056 8.511 1.549 331 HG SER 42 HG SER 42 -5.822 10.392 -1.412 332 HB2 SER 42 2HB SER 42 -5.109 10.505 0.561 333 HB3 SER 42 1HB SER 42 -3.500 10.243 -0.070 334 H SER 43 HN SER 43 -5.981 7.550 -1.278 335 HA SER 43 HA SER 43 -8.066 6.666 -1.493 336 HG SER 43 HG SER 43 -5.911 4.995 0.301 337 HB2 SER 43 2HB SER 43 -7.666 5.748 1.364 338 HB3 SER 43 1HB SER 43 -8.731 5.024 0.157 339 H ASP 44 HN ASP 44 -8.149 9.263 -1.070 340 HA ASP 44 HA ASP 44 -9.256 10.478 1.081 341 HB2 ASP 44 2HB ASP 44 -9.872 11.000 -1.830 342 HB3 ASP 44 1HB ASP 44 -10.250 12.109 -0.517 343 HA PRO 45 HA PRO 45 -13.328 8.665 1.552 344 HB2 PRO 45 2HB PRO 45 -14.157 10.438 3.466 345 HB3 PRO 45 1HB PRO 45 -13.158 9.023 3.807 346 HG2 PRO 45 2HG PRO 45 -12.348 11.879 3.475 347 HG3 PRO 45 1HG PRO 45 -11.764 10.677 4.640 348 HD2 PRO 45 2HD PRO 45 -10.364 11.351 2.428 349 HD3 PRO 45 1HD PRO 45 -10.323 9.715 3.118 350 H ARG 46 HN ARG 46 -15.147 9.094 0.435 351 HA ARG 46 HA ARG 46 -15.521 11.852 -0.545 352 HE ARG 46 HE ARG 46 -15.455 10.974 -4.660 353 HB2 ARG 46 2HB ARG 46 -16.021 9.313 -2.103 354 HB3 ARG 46 1HB ARG 46 -16.183 10.959 -2.699 355 HG2 ARG 46 2HG ARG 46 -13.815 11.311 -2.528 356 HG3 ARG 46 1HG ARG 46 -13.600 9.733 -1.765 357 HD2 ARG 46 2HD ARG 46 -12.985 9.544 -4.065 358 HD3 ARG 46 1HD ARG 46 -14.504 8.683 -3.824 359 HH11 ARG 46 1HH1 ARG 46 -12.707 9.169 -5.835 360 HH12 ARG 46 2HH1 ARG 46 -12.746 9.886 -7.423 361 HH21 ARG 46 1HH2 ARG 46 -15.558 11.887 -6.755 362 HH22 ARG 46 2HH2 ARG 46 -14.385 11.418 -7.951 363 H ARG 47 HN ARG 47 -17.799 11.969 -1.639 364 HA ARG 47 HA ARG 47 -19.731 10.579 0.098 365 HE ARG 47 HE ARG 47 -18.798 14.481 3.086 366 HB2 ARG 47 2HB ARG 47 -19.968 13.358 -1.086 367 HB3 ARG 47 1HB ARG 47 -21.188 12.556 -0.102 368 HG2 ARG 47 2HG ARG 47 -19.698 12.535 1.797 369 HG3 ARG 47 1HG ARG 47 -18.400 13.223 0.822 370 HD2 ARG 47 2HD ARG 47 -19.823 15.239 0.475 371 HD3 ARG 47 1HD ARG 47 -20.996 14.549 1.599 372 HH11 ARG 47 1HH1 ARG 47 -20.174 17.079 1.166 373 HH12 ARG 47 2HH1 ARG 47 -19.378 18.329 2.081 374 HH21 ARG 47 1HH2 ARG 47 -17.741 16.110 4.254 375 HH22 ARG 47 2HH2 ARG 47 -17.976 17.784 3.823 376 H THR 48 HN THR 48 -19.649 8.920 -1.519 377 HA THR 48 HA THR 48 -21.214 9.543 -3.919 378 HB THR 48 HB THR 48 -18.880 9.621 -4.623 379 HG1 THR 48 1HG THR 48 -20.164 7.207 -5.441 380 HG21 THR 48 3HG2 THR 48 -17.904 8.259 -2.840 381 HG22 THR 48 1HG2 THR 48 -17.405 7.685 -4.430 382 HG23 THR 48 2HG2 THR 48 -18.648 6.817 -3.530 383 HA PRO 49 HA PRO 49 -23.253 5.763 -2.763 384 HB2 PRO 49 2HB PRO 49 -24.606 5.283 -5.045 385 HB3 PRO 49 1HB PRO 49 -25.039 6.600 -3.950 386 HG2 PRO 49 2HG PRO 49 -23.458 6.699 -6.490 387 HG3 PRO 49 1HG PRO 49 -24.736 7.792 -5.922 388 HD2 PRO 49 2HD PRO 49 -22.087 8.367 -5.705 389 HD3 PRO 49 1HD PRO 49 -23.305 8.957 -4.558 390 H GLU 50 HN GLU 50 -20.723 5.101 -3.080 391 HA GLU 50 HA GLU 50 -20.821 2.704 -4.756 392 HB2 GLU 50 2HB GLU 50 -19.630 4.340 -6.114 393 HB3 GLU 50 1HB GLU 50 -18.566 4.724 -4.770 394 HG2 GLU 50 2HG GLU 50 -17.416 3.334 -6.358 395 HG3 GLU 50 1HG GLU 50 -17.655 2.450 -4.853 396 H VAL 51 HN VAL 51 -19.565 0.992 -3.986 397 HA VAL 51 HA VAL 51 -18.622 1.337 -1.218 398 HB VAL 51 HB VAL 51 -19.034 -1.066 -0.897 399 HG11 VAL 51 1HG1 VAL 51 -20.785 0.550 -0.331 400 HG12 VAL 51 2HG1 VAL 51 -21.461 -0.992 -0.856 401 HG13 VAL 51 3HG1 VAL 51 -21.453 0.388 -1.955 402 HG21 VAL 51 3HG2 VAL 51 -20.295 -2.342 -2.568 403 HG22 VAL 51 1HG2 VAL 51 -18.723 -1.833 -3.185 404 HG23 VAL 51 2HG2 VAL 51 -20.185 -0.981 -3.683 405 H SER 52 HN SER 52 -16.919 -0.312 -0.610 406 HA SER 52 HA SER 52 -14.839 -1.185 -0.809 407 HG SER 52 HG SER 52 -16.278 -2.871 -1.487 408 HB2 SER 52 2HB SER 52 -15.511 -1.461 -3.745 409 HB3 SER 52 1HB SER 52 -14.218 -2.299 -2.889 410 H ASP 53 HN ASP 53 -15.636 1.730 -1.843 411 HA ASP 53 HA ASP 53 -13.347 2.480 -3.408 412 HB2 ASP 53 2HB ASP 53 -15.701 3.575 -3.357 413 HB3 ASP 53 1HB ASP 53 -15.123 4.405 -1.917 414 H ASN 54 HN ASN 54 -13.957 1.965 -0.143 415 HA ASN 54 HA ASN 54 -11.612 3.545 0.643 416 HB2 ASN 54 2HB ASN 54 -14.017 2.704 2.269 417 HB3 ASN 54 1HB ASN 54 -12.559 3.390 2.977 418 HD21 ASN 54 1HD2 ASN 54 -12.164 5.164 0.642 419 HD22 ASN 54 2HD2 ASN 54 -13.318 6.435 0.832 420 HA PRO 55 HA PRO 55 -9.092 0.118 1.479 421 HB2 PRO 55 2HB PRO 55 -8.780 1.196 4.242 422 HB3 PRO 55 1HB PRO 55 -7.545 0.727 3.070 423 HG2 PRO 55 2HG PRO 55 -8.061 3.281 3.479 424 HG3 PRO 55 1HG PRO 55 -7.797 2.682 1.830 425 HD2 PRO 55 2HD PRO 55 -10.356 3.405 3.199 426 HD3 PRO 55 1HD PRO 55 -9.863 3.669 1.513 427 H VAL 56 HN VAL 56 -11.776 0.657 3.602 428 HA VAL 56 HA VAL 56 -11.431 -1.377 5.472 429 HB VAL 56 HB VAL 56 -13.884 -1.298 5.805 430 HG11 VAL 56 1HG1 VAL 56 -13.971 1.035 6.521 431 HG12 VAL 56 2HG1 VAL 56 -12.560 1.399 5.529 432 HG13 VAL 56 3HG1 VAL 56 -12.410 0.310 6.908 433 HG21 VAL 56 3HG2 VAL 56 -15.224 0.295 4.512 434 HG22 VAL 56 1HG2 VAL 56 -14.574 -0.983 3.484 435 HG23 VAL 56 2HG2 VAL 56 -13.836 0.620 3.473 436 H MET 57 HN MET 57 -12.280 -1.651 2.134 437 HA MET 57 HA MET 57 -13.126 -4.437 2.586 438 HB2 MET 57 2HB MET 57 -13.830 -2.516 0.371 439 HB3 MET 57 1HB MET 57 -14.181 -4.238 0.295 440 HG2 MET 57 2HG MET 57 -15.606 -4.082 2.228 441 HG3 MET 57 1HG MET 57 -15.171 -2.390 2.451 442 HE1 MET 57 3HE MET 57 -17.783 -1.831 2.599 443 HE2 MET 57 1HE MET 57 -18.176 -3.527 2.316 444 HE3 MET 57 2HE MET 57 -18.945 -2.270 1.346 445 H ILE 58 HN ILE 58 -10.397 -2.920 1.888 446 HA ILE 58 HA ILE 58 -9.636 -4.349 -0.509 447 HB ILE 58 HB ILE 58 -8.748 -2.036 0.242 448 HG12 ILE 58 2HG1 ILE 58 -6.501 -2.524 -0.787 449 HG13 ILE 58 1HG1 ILE 58 -6.920 -4.232 -0.752 450 HG21 ILE 58 1HG2 ILE 58 -8.060 -2.620 2.485 451 HG22 ILE 58 2HG2 ILE 58 -6.654 -2.129 1.539 452 HG23 ILE 58 3HG2 ILE 58 -6.950 -3.839 1.854 453 HD11 ILE 58 3HD1 ILE 58 -7.287 -3.268 -2.951 454 HD12 ILE 58 1HD1 ILE 58 -8.399 -2.087 -2.259 455 HD13 ILE 58 2HD1 ILE 58 -8.808 -3.803 -2.234 456 H ALA 59 HN ALA 59 -9.659 -4.940 2.850 457 HA ALA 59 HA ALA 59 -7.384 -6.585 3.122 458 HB1 ALA 59 1HB ALA 59 -8.379 -7.307 5.228 459 HB2 ALA 59 2HB ALA 59 -9.920 -6.586 4.756 460 HB3 ALA 59 3HB ALA 59 -8.512 -5.558 5.034 461 H GLU 60 HN GLU 60 -10.822 -7.428 2.758 462 HA GLU 60 HA GLU 60 -10.472 -10.203 2.619 463 HB2 GLU 60 2HB GLU 60 -12.718 -10.182 1.487 464 HB3 GLU 60 1HB GLU 60 -12.651 -9.340 3.032 465 HG2 GLU 60 2HG GLU 60 -12.316 -7.217 1.679 466 HG3 GLU 60 1HG GLU 60 -12.792 -8.175 0.274 467 H LEU 61 HN LEU 61 -10.137 -7.724 0.220 468 HA LEU 61 HA LEU 61 -10.136 -9.404 -2.076 469 HG LEU 61 HG LEU 61 -10.161 -8.062 -4.110 470 HB2 LEU 61 2HB LEU 61 -10.458 -6.855 -1.879 471 HB3 LEU 61 1HB LEU 61 -8.715 -6.768 -1.809 472 HD11 LEU 61 1HD1 LEU 61 -9.868 -5.959 -5.310 473 HD12 LEU 61 2HD1 LEU 61 -9.250 -5.206 -3.838 474 HD13 LEU 61 3HD1 LEU 61 -10.922 -5.764 -3.910 475 HD21 LEU 61 3HD2 LEU 61 -8.051 -7.590 -5.288 476 HD22 LEU 61 1HD2 LEU 61 -7.812 -8.652 -3.901 477 HD23 LEU 61 2HD2 LEU 61 -7.373 -6.948 -3.792 478 H LEU 62 HN LEU 62 -7.571 -7.794 -0.256 479 HA LEU 62 HA LEU 62 -5.463 -8.751 -1.854 480 HG LEU 62 HG LEU 62 -3.436 -6.307 -0.116 481 HB2 LEU 62 2HB LEU 62 -5.720 -6.817 -0.021 482 HB3 LEU 62 1HB LEU 62 -4.942 -8.030 0.973 483 HD11 LEU 62 1HD1 LEU 62 -2.587 -8.367 0.855 484 HD12 LEU 62 2HD1 LEU 62 -1.683 -7.921 -0.592 485 HD13 LEU 62 3HD1 LEU 62 -2.882 -9.213 -0.664 486 HD21 LEU 62 3HD2 LEU 62 -4.498 -6.280 -2.313 487 HD22 LEU 62 1HD2 LEU 62 -4.020 -7.958 -2.568 488 HD23 LEU 62 2HD2 LEU 62 -2.791 -6.704 -2.430 489 H ARG 63 HN ARG 63 -7.174 -10.265 0.735 490 HA ARG 63 HA ARG 63 -4.979 -12.036 1.397 491 HE ARG 63 HE ARG 63 -7.719 -10.696 4.537 492 HB2 ARG 63 2HB ARG 63 -6.511 -13.029 3.022 493 HB3 ARG 63 1HB ARG 63 -6.444 -11.280 3.185 494 HG2 ARG 63 2HG ARG 63 -8.558 -11.055 2.040 495 HG3 ARG 63 1HG ARG 63 -8.616 -12.796 1.753 496 HD2 ARG 63 2HD ARG 63 -10.022 -12.103 3.648 497 HD3 ARG 63 1HD ARG 63 -8.747 -13.223 4.124 498 HH11 ARG 63 1HH1 ARG 63 -10.509 -12.482 5.662 499 HH12 ARG 63 2HH1 ARG 63 -10.500 -11.755 7.239 500 HH21 ARG 63 1HH2 ARG 63 -7.709 -9.723 6.590 501 HH22 ARG 63 2HH2 ARG 63 -8.895 -10.185 7.779 502 H GLU 64 HN GLU 64 -6.768 -12.032 -1.274 503 HA GLU 64 HA GLU 64 -7.589 -14.802 -1.202 504 HB2 GLU 64 2HB GLU 64 -8.634 -14.425 -3.265 505 HB3 GLU 64 1HB GLU 64 -8.889 -12.951 -2.362 506 HG2 GLU 64 2HG GLU 64 -8.026 -11.785 -4.017 507 HG3 GLU 64 1HG GLU 64 -6.499 -12.649 -3.848 508 H PHE 65 HN PHE 65 -4.736 -13.253 -1.595 509 HA PHE 65 HA PHE 65 -3.691 -15.204 -3.533 510 HD1 PHE 65 1HD PHE 65 -3.874 -13.944 -5.643 511 HD2 PHE 65 2HD PHE 65 -3.196 -10.702 -2.979 512 HE1 PHE 65 1HE PHE 65 -5.148 -12.464 -7.138 513 HE2 PHE 65 2HE PHE 65 -4.477 -9.212 -4.461 514 HZ PHE 65 HZ PHE 65 -5.452 -10.092 -6.544 515 HB2 PHE 65 2HB PHE 65 -2.271 -12.738 -2.501 516 HB3 PHE 65 1HB PHE 65 -1.829 -13.728 -3.885 517 HA PRO 66 HA PRO 66 -2.120 -16.772 0.453 518 HB2 PRO 66 2HB PRO 66 -2.508 -19.378 0.005 519 HB3 PRO 66 1HB PRO 66 -3.853 -18.302 0.398 520 HG2 PRO 66 2HG PRO 66 -3.035 -19.432 -2.236 521 HG3 PRO 66 1HG PRO 66 -4.660 -19.133 -1.596 522 HD2 PRO 66 2HD PRO 66 -3.269 -17.477 -3.365 523 HD3 PRO 66 1HD PRO 66 -4.689 -17.012 -2.408 524 H GLN 67 HN GLN 67 -0.911 -16.802 -2.622 525 HA GLN 67 HA GLN 67 1.086 -18.752 -2.618 526 HB2 GLN 67 2HB GLN 67 1.016 -16.023 -3.906 527 HB3 GLN 67 1HB GLN 67 2.275 -17.206 -4.213 528 HG2 GLN 67 2HG GLN 67 0.626 -18.751 -5.101 529 HG3 GLN 67 1HG GLN 67 -0.657 -17.588 -4.765 530 HE21 GLN 67 1HE2 GLN 67 -0.868 -15.771 -6.065 531 HE22 GLN 67 2HE2 GLN 67 -0.042 -15.610 -7.584 532 H PHE 68 HN PHE 68 1.772 -15.293 -2.196 533 HA PHE 68 HA PHE 68 3.957 -16.020 -0.385 534 HD1 PHE 68 2HD PHE 68 4.829 -15.694 -3.585 535 HD2 PHE 68 1HD PHE 68 2.528 -12.270 -2.589 536 HE1 PHE 68 2HE PHE 68 4.224 -15.430 -5.953 537 HE2 PHE 68 1HE PHE 68 1.904 -11.999 -4.952 538 HZ PHE 68 HZ PHE 68 2.758 -13.577 -6.640 539 HB2 PHE 68 2HB PHE 68 3.965 -13.219 -0.988 540 HB3 PHE 68 1HB PHE 68 5.148 -14.440 -1.439 541 H ASP 69 HN ASP 69 4.351 -14.080 1.262 542 HA ASP 69 HA ASP 69 1.797 -13.770 2.679 543 HB2 ASP 69 2HB ASP 69 3.704 -14.860 3.878 544 HB3 ASP 69 1HB ASP 69 4.598 -13.348 3.742 545 H TRP 70 HN TRP 70 0.828 -11.968 2.060 546 HA TRP 70 HA TRP 70 2.337 -9.681 1.156 547 HD1 TRP 70 1HD TRP 70 0.013 -12.511 0.089 548 HE1 TRP 70 1HE TRP 70 0.096 -12.880 -2.455 549 HE3 TRP 70 3HE TRP 70 0.490 -7.652 -1.415 550 HZ2 TRP 70 2HZ TRP 70 0.309 -11.313 -4.791 551 HZ3 TRP 70 3HZ TRP 70 0.622 -7.171 -3.821 552 HH2 TRP 70 2HH TRP 70 0.531 -8.968 -5.473 553 HB2 TRP 70 2HB TRP 70 -0.636 -10.113 1.456 554 HB3 TRP 70 1HB TRP 70 0.099 -8.688 0.741 555 H GLN 71 HN GLN 71 2.338 -7.655 2.050 556 HA GLN 71 HA GLN 71 1.353 -7.451 4.821 557 HB2 GLN 71 2HB GLN 71 3.575 -5.764 3.684 558 HB3 GLN 71 1HB GLN 71 3.172 -6.050 5.373 559 HG2 GLN 71 2HG GLN 71 4.356 -8.044 3.459 560 HG3 GLN 71 1HG GLN 71 5.204 -7.201 4.751 561 HE21 GLN 71 1HE2 GLN 71 4.783 -10.051 4.229 562 HE22 GLN 71 2HE2 GLN 71 4.059 -10.694 5.662 563 H VAL 72 HN VAL 72 0.008 -5.770 5.272 564 HA VAL 72 HA VAL 72 -0.622 -3.977 3.018 565 HB VAL 72 HB VAL 72 -2.424 -4.657 5.347 566 HG11 VAL 72 1HG1 VAL 72 -2.972 -3.289 2.716 567 HG12 VAL 72 2HG1 VAL 72 -2.907 -2.515 4.298 568 HG13 VAL 72 3HG1 VAL 72 -4.179 -3.684 3.939 569 HG21 VAL 72 3HG2 VAL 72 -3.671 -6.069 3.765 570 HG22 VAL 72 1HG2 VAL 72 -2.033 -6.665 4.039 571 HG23 VAL 72 2HG2 VAL 72 -2.419 -5.795 2.554 572 H ALA 73 HN ALA 73 -0.076 -1.915 3.253 573 HA ALA 73 HA ALA 73 0.037 -0.792 5.971 574 HB1 ALA 73 1HB ALA 73 2.317 -1.329 5.275 575 HB2 ALA 73 2HB ALA 73 2.082 0.414 5.393 576 HB3 ALA 73 3HB ALA 73 2.100 -0.368 3.813 577 H VAL 74 HN VAL 74 -0.111 1.548 6.020 578 HA VAL 74 HA VAL 74 -1.615 2.620 3.719 579 HB VAL 74 HB VAL 74 -2.730 4.111 5.483 580 HG11 VAL 74 1HG1 VAL 74 -4.421 2.419 5.986 581 HG12 VAL 74 2HG1 VAL 74 -3.300 1.148 5.499 582 HG13 VAL 74 3HG1 VAL 74 -3.891 2.306 4.308 583 HG21 VAL 74 3HG2 VAL 74 -2.852 3.162 7.742 584 HG22 VAL 74 1HG2 VAL 74 -1.205 3.632 7.324 585 HG23 VAL 74 2HG2 VAL 74 -1.675 1.933 7.285 586 H ALA 75 HN ALA 75 -1.473 4.937 3.408 587 HA ALA 75 HA ALA 75 1.290 5.764 3.665 588 HB1 ALA 75 1HB ALA 75 -1.003 7.043 2.186 589 HB2 ALA 75 2HB ALA 75 0.143 5.882 1.514 590 HB3 ALA 75 3HB ALA 75 0.701 7.472 2.035 591 H ASP 76 HN ASP 76 -0.771 5.950 5.929 592 HA ASP 76 HA ASP 76 -1.126 7.235 7.747 593 HB2 ASP 76 2HB ASP 76 1.395 7.534 7.494 594 HB3 ASP 76 1HB ASP 76 1.035 9.096 6.770 595 H LEU 77 HN LEU 77 -0.129 10.186 6.088 596 HA LEU 77 HA LEU 77 -2.798 10.672 5.113 597 HG LEU 77 HG LEU 77 -1.022 13.535 6.823 598 HB2 LEU 77 2HB LEU 77 -3.318 12.618 6.378 599 HB3 LEU 77 1HB LEU 77 -2.970 11.319 7.495 600 HD11 LEU 77 1HD1 LEU 77 -3.005 14.432 7.906 601 HD12 LEU 77 2HD1 LEU 77 -1.615 14.473 8.991 602 HD13 LEU 77 3HD1 LEU 77 -2.852 13.235 9.193 603 HD21 LEU 77 3HD2 LEU 77 0.041 11.485 7.646 604 HD22 LEU 77 1HD2 LEU 77 -1.030 11.493 9.049 605 HD23 LEU 77 2HD2 LEU 77 0.148 12.787 8.831 606 H GLU 78 HN GLU 78 0.120 12.557 5.929 607 HA GLU 78 HA GLU 78 -0.218 14.272 3.648 608 HB2 GLU 78 2HB GLU 78 0.732 15.007 5.826 609 HB3 GLU 78 1HB GLU 78 2.119 13.968 5.546 610 HG2 GLU 78 2HG GLU 78 2.503 15.312 3.427 611 HG3 GLU 78 1HG GLU 78 1.333 16.461 4.076 612 H GLN 79 HN GLN 79 1.697 11.551 4.557 613 HA GLN 79 HA GLN 79 3.707 11.666 2.605 614 HB2 GLN 79 2HB GLN 79 2.590 9.252 4.041 615 HB3 GLN 79 1HB GLN 79 4.143 9.341 3.229 616 HG2 GLN 79 2HG GLN 79 4.804 9.664 5.387 617 HG3 GLN 79 1HG GLN 79 4.535 11.336 4.902 618 HE21 GLN 79 1HE2 GLN 79 4.488 10.209 7.565 619 HE22 GLN 79 2HE2 GLN 79 2.894 10.477 8.204 620 H SER 80 HN SER 80 0.457 10.594 2.490 621 HA SER 80 HA SER 80 0.357 8.712 0.517 622 HG SER 80 HG SER 80 -1.865 10.236 2.720 623 HB2 SER 80 2HB SER 80 -1.567 11.014 0.793 624 HB3 SER 80 1HB SER 80 -1.900 9.417 0.117 625 H GLU 81 HN GLU 81 0.407 12.243 0.001 626 HA GLU 81 HA GLU 81 0.195 12.021 -2.826 627 HB2 GLU 81 2HB GLU 81 -0.400 14.064 -1.513 628 HB3 GLU 81 1HB GLU 81 1.316 14.331 -1.240 629 HG2 GLU 81 2HG GLU 81 1.646 14.489 -3.678 630 HG3 GLU 81 1HG GLU 81 -0.095 14.320 -3.898 631 H ALA 82 HN ALA 82 2.882 12.328 -0.583 632 HA ALA 82 HA ALA 82 4.917 12.647 -2.514 633 HB1 ALA 82 1HB ALA 82 5.148 11.547 0.286 634 HB2 ALA 82 2HB ALA 82 5.195 13.255 -0.148 635 HB3 ALA 82 3HB ALA 82 6.464 12.167 -0.709 636 H ILE 83 HN ILE 83 3.403 9.808 -1.073 637 HA ILE 83 HA ILE 83 5.313 7.941 -1.958 638 HB ILE 83 HB ILE 83 2.410 7.563 -1.255 639 HG12 ILE 83 2HG1 ILE 83 5.001 6.994 0.209 640 HG13 ILE 83 1HG1 ILE 83 3.823 8.237 0.608 641 HG21 ILE 83 1HG2 ILE 83 3.068 5.803 -2.803 642 HG22 ILE 83 2HG2 ILE 83 2.881 5.153 -1.174 643 HG23 ILE 83 3HG2 ILE 83 4.495 5.453 -1.825 644 HD11 ILE 83 3HD1 ILE 83 3.655 6.363 2.125 645 HD12 ILE 83 1HD1 ILE 83 3.389 5.265 0.771 646 HD13 ILE 83 2HD1 ILE 83 2.190 6.501 1.152 647 H GLY 84 HN GLY 84 2.257 9.041 -3.411 648 HA2 GLY 84 2HA GLY 84 2.437 7.431 -5.737 649 HA3 GLY 84 1HA GLY 84 1.498 8.911 -5.587 650 H ASP 85 HN ASP 85 3.719 10.577 -4.906 651 HA ASP 85 HA ASP 85 4.695 11.268 -7.479 652 HB2 ASP 85 2HB ASP 85 4.334 12.923 -5.698 653 HB3 ASP 85 1HB ASP 85 5.609 12.174 -4.747 654 H ARG 86 HN ARG 86 6.113 9.699 -4.663 655 HA ARG 86 HA ARG 86 8.758 9.456 -5.440 656 HE ARG 86 HE ARG 86 11.237 5.810 -3.054 657 HB2 ARG 86 2HB ARG 86 8.158 8.881 -3.223 658 HB3 ARG 86 1HB ARG 86 6.962 7.715 -3.762 659 HG2 ARG 86 2HG ARG 86 8.850 6.559 -2.845 660 HG3 ARG 86 1HG ARG 86 8.782 6.269 -4.582 661 HD2 ARG 86 2HD ARG 86 10.513 7.964 -4.930 662 HD3 ARG 86 1HD ARG 86 10.578 8.251 -3.190 663 HH11 ARG 86 1HH1 ARG 86 11.998 7.846 -5.802 664 HH12 ARG 86 2HH1 ARG 86 13.370 6.884 -6.283 665 HH21 ARG 86 1HH2 ARG 86 13.045 4.548 -3.690 666 HH22 ARG 86 2HH2 ARG 86 13.965 5.036 -5.088 667 H PHE 87 HN PHE 87 6.026 7.332 -6.228 668 HA PHE 87 HA PHE 87 7.804 5.635 -7.802 669 HD1 PHE 87 1HD PHE 87 8.241 3.871 -6.548 670 HD2 PHE 87 2HD PHE 87 4.314 4.609 -5.080 671 HE1 PHE 87 1HE PHE 87 8.871 2.886 -4.386 672 HE2 PHE 87 2HE PHE 87 4.941 3.625 -2.913 673 HZ PHE 87 HZ PHE 87 7.222 2.764 -2.560 674 HB2 PHE 87 2HB PHE 87 4.857 5.313 -7.196 675 HB3 PHE 87 1HB PHE 87 5.871 4.135 -8.028 676 H ASN 88 HN ASN 88 6.157 8.404 -8.270 677 HA ASN 88 HA ASN 88 5.418 9.589 -10.043 678 HB2 ASN 88 2HB ASN 88 7.335 7.701 -11.402 679 HB3 ASN 88 1HB ASN 88 6.497 8.980 -12.279 680 HD21 ASN 88 1HD2 ASN 88 8.863 8.259 -9.828 681 HD22 ASN 88 2HD2 ASN 88 9.546 9.843 -9.745 682 H VAL 89 HN VAL 89 3.685 7.649 -9.164 683 HA VAL 89 HA VAL 89 2.513 6.477 -11.574 684 HB VAL 89 HB VAL 89 2.761 5.149 -9.431 685 HG11 VAL 89 1HG1 VAL 89 1.075 5.478 -7.679 686 HG12 VAL 89 2HG1 VAL 89 0.536 6.946 -8.491 687 HG13 VAL 89 3HG1 VAL 89 2.167 6.855 -7.826 688 HG21 VAL 89 3HG2 VAL 89 1.272 4.405 -11.191 689 HG22 VAL 89 1HG2 VAL 89 -0.016 5.434 -10.566 690 HG23 VAL 89 2HG2 VAL 89 0.563 4.070 -9.612 691 H ARG 90 HN ARG 90 2.622 9.374 -10.516 692 HA ARG 90 HA ARG 90 1.389 11.252 -10.777 693 HE ARG 90 HE ARG 90 -1.673 11.964 -13.755 694 HB2 ARG 90 2HB ARG 90 -0.806 9.370 -11.648 695 HB3 ARG 90 1HB ARG 90 -0.972 11.119 -11.612 696 HG2 ARG 90 2HG ARG 90 0.738 11.379 -13.269 697 HG3 ARG 90 1HG ARG 90 1.112 9.656 -13.215 698 HD2 ARG 90 2HD ARG 90 -0.259 10.258 -15.166 699 HD3 ARG 90 1HD ARG 90 -1.077 9.120 -14.096 700 HH11 ARG 90 1HH1 ARG 90 -2.624 8.849 -15.049 701 HH12 ARG 90 2HH1 ARG 90 -4.314 9.259 -15.149 702 HH21 ARG 90 1HH2 ARG 90 -3.895 12.507 -13.876 703 HH22 ARG 90 2HH2 ARG 90 -5.038 11.340 -14.490 704 H ARG 91 HN ARG 91 -0.984 12.092 -9.922 705 HA ARG 91 HA ARG 91 -0.873 11.322 -7.079 706 HE ARG 91 HE ARG 91 0.500 14.507 -9.307 707 HB2 ARG 91 2HB ARG 91 -1.279 13.942 -8.463 708 HB3 ARG 91 1HB ARG 91 -2.000 13.696 -6.879 709 HG2 ARG 91 2HG ARG 91 0.144 14.827 -6.706 710 HG3 ARG 91 1HG ARG 91 0.194 13.248 -5.929 711 HD2 ARG 91 2HD ARG 91 2.233 13.710 -7.211 712 HD3 ARG 91 1HD ARG 91 1.360 12.315 -7.839 713 HH11 ARG 91 1HH1 ARG 91 3.557 12.916 -8.684 714 HH12 ARG 91 2HH1 ARG 91 4.197 13.220 -10.268 715 HH21 ARG 91 1HH2 ARG 91 1.327 14.905 -11.397 716 HH22 ARG 91 2HH2 ARG 91 2.918 14.340 -11.827 717 H PHE 92 HN PHE 92 -2.442 9.695 -7.194 718 HA PHE 92 HA PHE 92 -5.085 10.671 -6.767 719 HD1 PHE 92 2HD PHE 92 -5.314 6.935 -8.533 720 HD2 PHE 92 1HD PHE 92 -3.545 10.128 -10.718 721 HE1 PHE 92 2HE PHE 92 -4.179 5.310 -9.983 722 HE2 PHE 92 1HE PHE 92 -2.409 8.506 -12.178 723 HZ PHE 92 HZ PHE 92 -2.724 6.093 -11.809 724 HB2 PHE 92 2HB PHE 92 -6.214 9.278 -8.491 725 HB3 PHE 92 1HB PHE 92 -5.254 10.576 -9.184 726 HA PRO 93 HA PRO 93 -5.324 7.166 -4.102 727 HB2 PRO 93 2HB PRO 93 -8.006 6.511 -5.162 728 HB3 PRO 93 1HB PRO 93 -7.513 6.902 -3.511 729 HG2 PRO 93 2HG PRO 93 -8.889 8.653 -4.986 730 HG3 PRO 93 1HG PRO 93 -7.611 9.184 -3.877 731 HD2 PRO 93 2HD PRO 93 -7.538 8.889 -6.853 732 HD3 PRO 93 1HD PRO 93 -6.828 10.154 -5.828 733 H ALA 94 HN ALA 94 -4.299 5.330 -4.400 734 HA ALA 94 HA ALA 94 -5.197 3.339 -6.290 735 HB1 ALA 94 1HB ALA 94 -3.806 4.731 -7.730 736 HB2 ALA 94 2HB ALA 94 -3.033 3.171 -7.444 737 HB3 ALA 94 3HB ALA 94 -2.470 4.605 -6.584 738 H THR 95 HN THR 95 -3.811 1.366 -6.122 739 HA THR 95 HA THR 95 -2.586 1.149 -3.459 740 HB THR 95 HB THR 95 -3.818 -1.077 -5.092 741 HG1 THR 95 1HG THR 95 -4.933 0.794 -3.443 742 HG21 THR 95 3HG2 THR 95 -2.053 -1.799 -3.532 743 HG22 THR 95 1HG2 THR 95 -3.643 -2.378 -3.034 744 HG23 THR 95 2HG2 THR 95 -2.909 -1.005 -2.210 745 H LEU 96 HN LEU 96 -0.463 0.542 -3.384 746 HA LEU 96 HA LEU 96 0.863 0.210 -5.962 747 HG LEU 96 HG LEU 96 3.017 2.683 -4.233 748 HB2 LEU 96 2HB LEU 96 1.917 0.703 -3.183 749 HB3 LEU 96 1HB LEU 96 2.964 0.330 -4.536 750 HD11 LEU 96 1HD1 LEU 96 2.173 3.522 -6.355 751 HD12 LEU 96 2HD1 LEU 96 1.178 2.079 -6.540 752 HD13 LEU 96 3HD1 LEU 96 2.937 1.944 -6.553 753 HD21 LEU 96 3HD2 LEU 96 1.018 4.091 -4.253 754 HD22 LEU 96 1HD2 LEU 96 1.008 2.957 -2.902 755 HD23 LEU 96 2HD2 LEU 96 0.006 2.647 -4.319 756 H VAL 97 HN VAL 97 1.571 -1.650 -6.703 757 HA VAL 97 HA VAL 97 1.275 -4.023 -5.005 758 HB VAL 97 HB VAL 97 1.713 -3.889 -7.995 759 HG11 VAL 97 1HG1 VAL 97 0.834 -6.157 -6.210 760 HG12 VAL 97 2HG1 VAL 97 2.397 -6.001 -7.013 761 HG13 VAL 97 3HG1 VAL 97 0.931 -6.214 -7.971 762 HG21 VAL 97 3HG2 VAL 97 -0.392 -2.820 -7.387 763 HG22 VAL 97 1HG2 VAL 97 -0.863 -4.251 -6.468 764 HG23 VAL 97 2HG2 VAL 97 -0.675 -4.347 -8.220 765 H PHE 98 HN PHE 98 3.087 -4.581 -3.956 766 HA PHE 98 HA PHE 98 5.604 -4.484 -5.472 767 HD1 PHE 98 2HD PHE 98 8.018 -3.373 -4.691 768 HD2 PHE 98 1HD PHE 98 4.508 -1.542 -3.147 769 HE1 PHE 98 2HE PHE 98 8.819 -1.200 -5.482 770 HE2 PHE 98 1HE PHE 98 5.301 0.651 -3.935 771 HZ PHE 98 HZ PHE 98 7.466 0.824 -5.107 772 HB2 PHE 98 2HB PHE 98 5.006 -3.797 -2.634 773 HB3 PHE 98 1HB PHE 98 6.583 -4.486 -3.020 774 H THR 99 HN THR 99 6.524 -6.297 -5.885 775 HA THR 99 HA THR 99 6.268 -8.580 -4.062 776 HB THR 99 HB THR 99 5.976 -10.122 -6.018 777 HG1 THR 99 1HG THR 99 6.598 -8.182 -7.478 778 HG21 THR 99 3HG2 THR 99 3.749 -8.111 -5.672 779 HG22 THR 99 1HG2 THR 99 4.033 -9.524 -4.654 780 HG23 THR 99 2HG2 THR 99 3.579 -9.732 -6.346 781 H ASP 100 HN ASP 100 8.159 -9.732 -3.911 782 HA ASP 100 HA ASP 100 10.382 -10.183 -4.084 783 HB2 ASP 100 2HB ASP 100 9.939 -9.325 -6.951 784 HB3 ASP 100 1HB ASP 100 11.452 -9.985 -6.351 785 H GLY 101 HN GLY 101 9.361 -7.418 -3.461 786 HA2 GLY 101 2HA GLY 101 10.261 -5.345 -3.009 787 HA3 GLY 101 1HA GLY 101 11.834 -6.006 -3.436 788 H LYS 102 HN LYS 102 9.323 -6.270 -5.773 789 HA LYS 102 HA LYS 102 10.526 -4.066 -7.324 790 HB2 LYS 102 2HB LYS 102 9.116 -6.521 -8.382 791 HB3 LYS 102 1HB LYS 102 9.909 -5.281 -9.337 792 HG2 LYS 102 2HG LYS 102 12.065 -5.953 -8.526 793 HG3 LYS 102 1HG LYS 102 11.329 -7.098 -7.400 794 HD2 LYS 102 2HD LYS 102 10.357 -8.304 -9.329 795 HD3 LYS 102 1HD LYS 102 11.207 -7.202 -10.409 796 HE2 LYS 102 2HE LYS 102 13.339 -7.967 -9.587 797 HE3 LYS 102 1HE LYS 102 12.546 -8.980 -8.380 798 HZ1 LYS 102 3HZ LYS 102 11.579 -10.292 -10.143 799 HZ2 LYS 102 1HZ LYS 102 13.262 -10.251 -10.320 800 HZ3 LYS 102 2HZ LYS 102 12.282 -9.300 -11.322 801 H LEU 103 HN LEU 103 9.158 -2.662 -8.426 802 HA LEU 103 HA LEU 103 6.428 -2.545 -7.440 803 HG LEU 103 HG LEU 103 5.578 -0.414 -9.678 804 HB2 LEU 103 2HB LEU 103 7.715 -0.482 -7.538 805 HB3 LEU 103 1HB LEU 103 7.993 -0.705 -9.254 806 HD11 LEU 103 1HD1 LEU 103 5.424 0.158 -6.721 807 HD12 LEU 103 2HD1 LEU 103 4.717 -1.226 -7.553 808 HD13 LEU 103 3HD1 LEU 103 4.123 0.401 -7.886 809 HD21 LEU 103 3HD2 LEU 103 6.845 1.812 -8.084 810 HD22 LEU 103 1HD2 LEU 103 5.478 1.980 -9.185 811 HD23 LEU 103 2HD2 LEU 103 7.058 1.509 -9.810 812 H ARG 104 HN ARG 104 4.994 -3.811 -8.411 813 HA ARG 104 HA ARG 104 5.325 -4.567 -11.186 814 HE ARG 104 HE ARG 104 3.933 -7.556 -12.031 815 HB2 ARG 104 2HB ARG 104 3.295 -5.299 -9.085 816 HB3 ARG 104 1HB ARG 104 3.156 -5.830 -10.753 817 HG2 ARG 104 2HG ARG 104 5.387 -6.478 -8.840 818 HG3 ARG 104 1HG ARG 104 4.138 -7.577 -9.428 819 HD2 ARG 104 2HD ARG 104 6.372 -6.309 -10.998 820 HD3 ARG 104 1HD ARG 104 6.117 -8.023 -10.675 821 HH11 ARG 104 1HH1 ARG 104 7.160 -6.344 -12.650 822 HH12 ARG 104 2HH1 ARG 104 6.869 -6.066 -14.340 823 HH21 ARG 104 1HH2 ARG 104 3.560 -7.208 -14.268 824 HH22 ARG 104 2HH2 ARG 104 4.833 -6.557 -15.259 825 H GLY 105 HN GLY 105 3.402 -2.357 -9.319 826 HA2 GLY 105 2HA GLY 105 2.758 -0.566 -11.198 827 HA3 GLY 105 1HA GLY 105 1.580 -1.833 -11.510 828 H ALA 106 HN ALA 106 -0.016 -0.209 -10.987 829 HA ALA 106 HA ALA 106 -0.541 -0.131 -8.117 830 HB1 ALA 106 1HB ALA 106 -1.091 2.239 -8.158 831 HB2 ALA 106 2HB ALA 106 -0.633 2.331 -9.858 832 HB3 ALA 106 3HB ALA 106 0.589 1.986 -8.633 833 H LEU 107 HN LEU 107 -2.719 0.165 -7.577 834 HA LEU 107 HA LEU 107 -4.560 -0.850 -9.552 835 HG LEU 107 HG LEU 107 -5.697 -2.571 -6.538 836 HB2 LEU 107 2HB LEU 107 -4.647 -0.302 -6.620 837 HB3 LEU 107 1HB LEU 107 -6.159 -0.445 -7.482 838 HD11 LEU 107 1HD1 LEU 107 -4.923 -2.646 -9.450 839 HD12 LEU 107 2HD1 LEU 107 -6.567 -2.637 -8.812 840 HD13 LEU 107 3HD1 LEU 107 -5.505 -4.009 -8.496 841 HD21 LEU 107 3HD2 LEU 107 -2.973 -2.422 -7.818 842 HD22 LEU 107 1HD2 LEU 107 -3.622 -3.792 -6.915 843 HD23 LEU 107 2HD2 LEU 107 -3.321 -2.257 -6.097 844 H SER 108 HN SER 108 -5.350 0.526 -10.999 845 HA SER 108 HA SER 108 -6.399 3.095 -10.041 846 HG SER 108 HG SER 108 -4.037 3.667 -10.170 847 HB2 SER 108 2HB SER 108 -4.954 2.712 -12.672 848 HB3 SER 108 1HB SER 108 -5.513 4.233 -11.976 849 H GLY 109 HN GLY 109 -8.477 3.381 -10.569 850 HA2 GLY 109 2HA GLY 109 -9.531 2.398 -13.081 851 HA3 GLY 109 1HA GLY 109 -10.149 1.557 -11.667 852 H ILE 110 HN ILE 110 -12.081 2.652 -12.979 853 HA ILE 110 HA ILE 110 -12.539 5.337 -11.865 854 HB ILE 110 HB ILE 110 -14.466 5.461 -13.435 855 HG12 ILE 110 2HG1 ILE 110 -13.334 2.867 -14.510 856 HG13 ILE 110 1HG1 ILE 110 -14.870 3.043 -13.669 857 HG21 ILE 110 1HG2 ILE 110 -11.797 4.891 -14.718 858 HG22 ILE 110 2HG2 ILE 110 -12.307 6.427 -14.019 859 HG23 ILE 110 3HG2 ILE 110 -13.121 5.795 -15.450 860 HD11 ILE 110 3HD1 ILE 110 -15.180 2.876 -16.075 861 HD12 ILE 110 1HD1 ILE 110 -14.159 4.295 -16.312 862 HD13 ILE 110 2HD1 ILE 110 -15.704 4.450 -15.474 863 H HIS 111 HN HIS 111 -13.118 2.178 -11.190 864 HA HIS 111 HA HIS 111 -14.831 2.881 -9.024 865 HD1 HIS 111 1HD HIS 111 -16.959 -0.927 -10.121 866 HD2 HIS 111 2HD HIS 111 -15.140 1.290 -13.131 867 HE1 HIS 111 1HE HIS 111 -16.704 -2.497 -12.070 868 HE2 HIS 111 2HE HIS 111 -15.336 -1.207 -13.744 869 HB2 HIS 111 2HB HIS 111 -16.706 1.439 -9.505 870 HB3 HIS 111 1HB HIS 111 -16.522 2.569 -10.839 871 HA PRO 112 HA PRO 112 -12.279 0.011 -7.165 872 HB2 PRO 112 2HB PRO 112 -14.492 -0.894 -5.439 873 HB3 PRO 112 1HB PRO 112 -12.976 -0.101 -5.008 874 HG2 PRO 112 2HG PRO 112 -15.293 1.215 -4.907 875 HG3 PRO 112 1HG PRO 112 -13.804 2.017 -5.443 876 HD2 PRO 112 2HD PRO 112 -16.074 0.943 -7.076 877 HD3 PRO 112 1HD PRO 112 -15.163 2.457 -7.271 878 H TRP 113 HN TRP 113 -15.375 -1.816 -6.921 879 HA TRP 113 HA TRP 113 -13.685 -4.166 -7.290 880 HD1 TRP 113 1HD TRP 113 -15.833 -6.865 -7.557 881 HE1 TRP 113 1HE TRP 113 -14.799 -8.906 -6.360 882 HE3 TRP 113 3HE TRP 113 -13.929 -4.492 -3.483 883 HZ2 TRP 113 2HZ TRP 113 -13.339 -9.412 -3.978 884 HZ3 TRP 113 3HZ TRP 113 -12.731 -5.809 -1.778 885 HH2 TRP 113 2HH TRP 113 -12.446 -8.222 -2.026 886 HB2 TRP 113 2HB TRP 113 -15.293 -3.761 -5.276 887 HB3 TRP 113 1HB TRP 113 -16.525 -4.355 -6.390 888 H ALA 114 HN ALA 114 -13.621 -5.186 -9.063 889 HA ALA 114 HA ALA 114 -15.548 -6.599 -10.309 890 HB1 ALA 114 1HB ALA 114 -16.183 -5.403 -12.341 891 HB2 ALA 114 2HB ALA 114 -15.302 -3.978 -11.794 892 HB3 ALA 114 3HB ALA 114 -16.728 -4.526 -10.911 893 H GLU 115 HN GLU 115 -13.455 -4.278 -11.917 894 HA GLU 115 HA GLU 115 -12.385 -6.291 -13.659 895 HB2 GLU 115 2HB GLU 115 -11.581 -3.389 -13.373 896 HB3 GLU 115 1HB GLU 115 -11.294 -4.435 -14.759 897 HG2 GLU 115 2HG GLU 115 -13.522 -4.416 -15.400 898 HG3 GLU 115 1HG GLU 115 -14.075 -3.893 -13.812 899 H LEU 116 HN LEU 116 -11.455 -4.800 -10.738 900 HA LEU 116 HA LEU 116 -8.699 -4.824 -10.779 901 HG LEU 116 HG LEU 116 -7.665 -4.583 -8.495 902 HB2 LEU 116 2HB LEU 116 -10.132 -3.863 -9.014 903 HB3 LEU 116 1HB LEU 116 -10.527 -5.474 -8.465 904 HD11 LEU 116 1HD1 LEU 116 -9.677 -4.006 -6.323 905 HD12 LEU 116 2HD1 LEU 116 -8.890 -2.806 -7.348 906 HD13 LEU 116 3HD1 LEU 116 -7.934 -3.757 -6.210 907 HD21 LEU 116 3HD2 LEU 116 -8.170 -6.933 -8.051 908 HD22 LEU 116 1HD2 LEU 116 -9.256 -6.461 -6.742 909 HD23 LEU 116 2HD2 LEU 116 -7.522 -6.144 -6.614 910 H LEU 117 HN LEU 117 -10.909 -7.458 -9.997 911 HA LEU 117 HA LEU 117 -9.074 -9.238 -8.900 912 HG LEU 117 HG LEU 117 -12.470 -10.426 -8.069 913 HB2 LEU 117 2HB LEU 117 -11.695 -9.679 -10.306 914 HB3 LEU 117 1HB LEU 117 -10.766 -11.010 -9.641 915 HD11 LEU 117 1HD1 LEU 117 -10.335 -11.048 -7.105 916 HD12 LEU 117 2HD1 LEU 117 -11.152 -9.858 -6.092 917 HD13 LEU 117 3HD1 LEU 117 -9.813 -9.362 -7.129 918 HD21 LEU 117 3HD2 LEU 117 -12.662 -8.199 -7.077 919 HD22 LEU 117 1HD2 LEU 117 -12.952 -8.167 -8.816 920 HD23 LEU 117 2HD2 LEU 117 -11.410 -7.607 -8.170 921 H THR 118 HN THR 118 -9.945 -8.729 -12.281 922 HA THR 118 HA THR 118 -8.368 -10.977 -13.166 923 HB THR 118 HB THR 118 -9.569 -8.772 -14.850 924 HG1 THR 118 1HG THR 118 -11.437 -9.680 -14.452 925 HG21 THR 118 3HG2 THR 118 -9.488 -10.442 -16.638 926 HG22 THR 118 1HG2 THR 118 -8.765 -11.607 -15.530 927 HG23 THR 118 2HG2 THR 118 -7.876 -10.153 -15.983 928 H LEU 119 HN LEU 119 -8.141 -7.424 -13.438 929 HA LEU 119 HA LEU 119 -5.744 -7.364 -14.891 930 HG LEU 119 HG LEU 119 -6.991 -3.949 -15.225 931 HB2 LEU 119 2HB LEU 119 -7.317 -5.426 -13.320 932 HB3 LEU 119 1HB LEU 119 -5.618 -5.036 -13.512 933 HD11 LEU 119 1HD1 LEU 119 -5.222 -6.120 -16.338 934 HD12 LEU 119 2HD1 LEU 119 -4.691 -4.542 -15.759 935 HD13 LEU 119 3HD1 LEU 119 -5.723 -4.656 -17.184 936 HD21 LEU 119 3HD2 LEU 119 -8.099 -5.269 -16.962 937 HD22 LEU 119 1HD2 LEU 119 -8.798 -5.572 -15.372 938 HD23 LEU 119 2HD2 LEU 119 -7.698 -6.749 -16.089 939 H MET 120 HN MET 120 -6.317 -7.380 -11.404 940 HA MET 120 HA MET 120 -3.711 -6.872 -10.542 941 HB2 MET 120 2HB MET 120 -5.677 -6.926 -9.053 942 HB3 MET 120 1HB MET 120 -5.776 -8.668 -9.254 943 HG2 MET 120 2HG MET 120 -4.750 -8.128 -7.143 944 HG3 MET 120 1HG MET 120 -3.578 -8.908 -8.206 945 HE1 MET 120 3HE MET 120 -1.645 -8.066 -6.528 946 HE2 MET 120 1HE MET 120 -2.864 -7.271 -5.532 947 HE3 MET 120 2HE MET 120 -1.443 -6.376 -6.065 948 H ARG 121 HN ARG 121 -5.227 -9.861 -11.615 949 HA ARG 121 HA ARG 121 -3.164 -11.607 -10.812 950 HE ARG 121 HE ARG 121 -6.631 -15.789 -10.430 951 HB2 ARG 121 2HB ARG 121 -5.560 -11.739 -12.549 952 HB3 ARG 121 1HB ARG 121 -4.324 -12.955 -12.805 953 HG2 ARG 121 2HG ARG 121 -4.494 -13.720 -10.559 954 HG3 ARG 121 1HG ARG 121 -5.534 -12.364 -10.125 955 HD2 ARG 121 2HD ARG 121 -7.328 -13.209 -11.427 956 HD3 ARG 121 1HD ARG 121 -6.289 -14.408 -12.199 957 HH11 ARG 121 1HH1 ARG 121 -7.536 -12.539 -9.441 958 HH12 ARG 121 2HH1 ARG 121 -8.023 -13.030 -7.840 959 HH21 ARG 121 1HH2 ARG 121 -7.290 -16.425 -8.344 960 HH22 ARG 121 2HH2 ARG 121 -7.863 -15.221 -7.221 961 H SER 122 HN SER 122 -3.832 -9.891 -13.841 962 HA SER 122 HA SER 122 -1.738 -11.006 -15.322 963 HG SER 122 HG SER 122 -3.879 -10.911 -16.383 964 HB2 SER 122 2HB SER 122 -3.054 -8.300 -15.624 965 HB3 SER 122 1HB SER 122 -2.244 -9.234 -16.863 966 H ILE 123 HN ILE 123 -1.942 -8.261 -13.130 967 HA ILE 123 HA ILE 123 0.579 -7.123 -13.774 968 HB ILE 123 HB ILE 123 -1.057 -6.890 -11.242 969 HG12 ILE 123 2HG1 ILE 123 -0.835 -5.060 -13.643 970 HG13 ILE 123 1HG1 ILE 123 -2.210 -6.091 -13.268 971 HG21 ILE 123 1HG2 ILE 123 1.263 -6.311 -10.816 972 HG22 ILE 123 2HG2 ILE 123 0.254 -4.863 -10.800 973 HG23 ILE 123 3HG2 ILE 123 1.261 -5.221 -12.203 974 HD11 ILE 123 3HD1 ILE 123 -1.231 -3.788 -11.598 975 HD12 ILE 123 1HD1 ILE 123 -2.616 -4.816 -11.230 976 HD13 ILE 123 2HD1 ILE 123 -2.639 -3.780 -12.657 977 H VAL 124 HN VAL 124 -0.485 -9.427 -11.298 978 HA VAL 124 HA VAL 124 2.273 -9.737 -10.378 979 HB VAL 124 HB VAL 124 1.363 -11.104 -8.568 980 HG11 VAL 124 1HG1 VAL 124 0.089 -9.358 -7.417 981 HG12 VAL 124 2HG1 VAL 124 -0.121 -8.508 -8.948 982 HG13 VAL 124 3HG1 VAL 124 1.491 -8.697 -8.260 983 HG21 VAL 124 3HG2 VAL 124 -0.493 -12.159 -9.727 984 HG22 VAL 124 1HG2 VAL 124 -1.321 -10.606 -9.857 985 HG23 VAL 124 2HG2 VAL 124 -1.067 -11.340 -8.273 986 H ASP 125 HN ASP 125 1.098 -10.782 -12.993 987 HA ASP 125 HA ASP 125 1.205 -13.645 -12.737 988 HB2 ASP 125 2HB ASP 125 -0.129 -12.334 -14.477 989 HB3 ASP 125 1HB ASP 125 1.401 -12.064 -15.303 990 H THR 126 HN THR 126 3.458 -11.229 -12.816 991 HA THR 126 HA THR 126 5.687 -11.071 -12.910 992 HB THR 126 HB THR 126 7.117 -12.975 -12.520 993 HG1 THR 126 1HG THR 126 4.926 -14.413 -13.476 994 HG21 THR 126 3HG2 THR 126 6.128 -13.830 -10.448 995 HG22 THR 126 1HG2 THR 126 4.559 -13.189 -10.935 996 HG23 THR 126 2HG2 THR 126 5.898 -12.090 -10.607 997 HA PRO 127 HA PRO 127 6.714 -11.255 -17.210 998 HB2 PRO 127 2HB PRO 127 9.431 -10.466 -16.569 999 HB3 PRO 127 1HB PRO 127 8.144 -9.499 -17.290 1000 HG2 PRO 127 2HG PRO 127 9.132 -9.062 -14.784 1001 HG3 PRO 127 1HG PRO 127 7.477 -8.648 -15.271 1002 HD2 PRO 127 2HD PRO 127 8.466 -11.016 -13.727 1003 HD3 PRO 127 1HD PRO 127 7.007 -10.034 -13.473 1004 H ALA 128 HN ALA 128 7.501 -13.517 -15.126 1005 HA ALA 128 HA ALA 128 9.855 -14.641 -16.394 1006 HB1 ALA 128 1HB ALA 128 9.700 -16.354 -14.662 1007 HB2 ALA 128 2HB ALA 128 8.155 -15.686 -14.136 1008 HB3 ALA 128 3HB ALA 128 9.630 -14.733 -13.967 1009 H ALA 129 HN ALA 129 7.166 -14.408 -17.757 1010 HA ALA 129 HA ALA 129 7.003 -17.220 -18.603 1011 HB1 ALA 129 1HB ALA 129 4.624 -16.985 -18.984 1012 HB2 ALA 129 2HB ALA 129 4.677 -15.302 -18.457 1013 HB3 ALA 129 3HB ALA 129 5.003 -16.597 -17.305 1014 H GLN 130 HN GLN 130 8.729 -16.242 -20.000 1015 HA GLN 130 HA GLN 130 9.492 -15.618 -22.024 1016 HB2 GLN 130 2HB GLN 130 7.868 -17.253 -22.870 1017 HB3 GLN 130 1HB GLN 130 6.628 -16.005 -22.916 1018 HG2 GLN 130 2HG GLN 130 7.938 -14.766 -24.568 1019 HG3 GLN 130 1HG GLN 130 9.175 -16.019 -24.524 1020 HE21 GLN 130 1HE2 GLN 130 7.246 -18.193 -24.342 1021 HE22 GLN 130 2HE2 GLN 130 6.532 -18.338 -25.915 1022 H GLU 131 HN GLU 131 10.101 -13.542 -21.524 1023 HA GLU 131 HA GLU 131 8.173 -11.406 -22.057 1024 HB2 GLU 131 2HB GLU 131 9.816 -9.884 -21.120 1025 HB3 GLU 131 1HB GLU 131 9.566 -11.231 -20.020 1026 HG2 GLU 131 2HG GLU 131 11.641 -12.244 -20.718 1027 HG3 GLU 131 1HG GLU 131 11.869 -10.999 -21.945 1028 H THR 132 HN THR 132 8.522 -9.827 -23.635 1029 HA THR 132 HA THR 132 10.457 -10.611 -25.708 1030 HB THR 132 HB THR 132 9.070 -9.096 -27.204 1031 HG1 THR 132 1HG THR 132 6.792 -9.395 -25.749 1032 HG21 THR 132 3HG2 THR 132 7.336 -10.792 -27.575 1033 HG22 THR 132 1HG2 THR 132 7.722 -11.526 -26.019 1034 HG23 THR 132 2HG2 THR 132 8.916 -11.531 -27.316 1035 H VAL 133 HN VAL 133 8.950 -7.492 -25.556 1036 HA VAL 133 HA VAL 133 11.346 -6.273 -24.413 1037 HB VAL 133 HB VAL 133 11.132 -4.417 -26.188 1038 HG11 VAL 133 1HG1 VAL 133 12.192 -7.120 -27.009 1039 HG12 VAL 133 2HG1 VAL 133 13.040 -5.940 -26.012 1040 HG13 VAL 133 3HG1 VAL 133 12.668 -5.565 -27.695 1041 HG21 VAL 133 3HG2 VAL 133 9.029 -5.145 -27.190 1042 HG22 VAL 133 1HG2 VAL 133 9.770 -6.671 -27.672 1043 HG23 VAL 133 2HG2 VAL 133 10.321 -5.156 -28.390 1044 H GLN 134 HN GLN 134 10.031 -5.965 -22.578 1045 HA GLN 134 HA GLN 134 7.675 -4.277 -22.879 1046 HB2 GLN 134 2HB GLN 134 7.283 -4.678 -20.520 1047 HB3 GLN 134 1HB GLN 134 7.580 -6.200 -21.343 1048 HG2 GLN 134 2HG GLN 134 9.852 -6.241 -20.478 1049 HG3 GLN 134 1HG GLN 134 9.586 -4.691 -19.679 1050 HE21 GLN 134 1HE2 GLN 134 10.315 -7.219 -18.490 1051 HE22 GLN 134 2HE2 GLN 134 9.060 -7.607 -17.363 1052 H LEU 135 HN LEU 135 7.424 -2.386 -21.403 1053 HA LEU 135 HA LEU 135 8.026 -0.238 -21.007 1054 HG LEU 135 HG LEU 135 8.257 -0.152 -18.582 1055 HB2 LEU 135 2HB LEU 135 10.443 -1.699 -19.973 1056 HB3 LEU 135 1HB LEU 135 10.371 0.052 -19.947 1057 HD11 LEU 135 1HD1 LEU 135 7.849 -2.243 -17.415 1058 HD12 LEU 135 2HD1 LEU 135 9.129 -3.024 -18.346 1059 HD13 LEU 135 3HD1 LEU 135 7.674 -2.443 -19.159 1060 HD21 LEU 135 3HD2 LEU 135 9.453 -0.636 -16.502 1061 HD22 LEU 135 1HD2 LEU 135 10.379 0.416 -17.572 1062 HD23 LEU 135 2HD2 LEU 135 10.796 -1.292 -17.435 1063 H GLU 136 HN GLU 136 8.035 -0.658 -23.521 1064 HA GLU 136 HA GLU 136 10.332 -0.513 -25.064 1065 HB2 GLU 136 2HB GLU 136 8.034 -0.937 -25.904 1066 HB3 GLU 136 1HB GLU 136 7.645 0.755 -25.636 1067 HG2 GLU 136 2HG GLU 136 9.434 1.357 -27.253 1068 HG3 GLU 136 1HG GLU 136 9.634 -0.362 -27.595 1069 H HIS 137 HN HIS 137 11.441 1.176 -26.049 1070 HA HIS 137 HA HIS 137 12.164 3.398 -24.605 1071 HD1 HIS 137 1HD HIS 137 12.235 5.443 -28.426 1072 HD2 HIS 137 2HD HIS 137 14.941 4.684 -25.354 1073 HE1 HIS 137 1HE HIS 137 13.714 7.474 -28.300 1074 HE2 HIS 137 2HE HIS 137 15.481 6.879 -26.608 1075 HB2 HIS 137 2HB HIS 137 13.430 2.528 -26.520 1076 HB3 HIS 137 1HB HIS 137 12.158 3.054 -27.615 1077 H HIS 138 HN HIS 138 10.899 4.983 -23.897 1078 HA HIS 138 HA HIS 138 8.540 5.736 -25.436 1079 HD1 HIS 138 1HD HIS 138 8.246 8.679 -22.022 1080 HD2 HIS 138 2HD HIS 138 5.948 6.342 -24.590 1081 HE1 HIS 138 1HE HIS 138 6.084 9.933 -22.339 1082 HE2 HIS 138 2HE HIS 138 4.749 8.553 -23.975 1083 HB2 HIS 138 2HB HIS 138 8.312 5.275 -23.015 1084 HB3 HIS 138 1HB HIS 138 9.413 6.604 -22.670 1085 H HIS 139 HN HIS 139 9.314 6.965 -27.113 1086 HA HIS 139 HA HIS 139 11.156 9.085 -26.893 1087 HD1 HIS 139 1HD HIS 139 8.285 10.671 -30.098 1088 HD2 HIS 139 2HD HIS 139 12.289 10.712 -28.969 1089 HE1 HIS 139 1HE HIS 139 9.229 12.823 -31.005 1090 HE2 HIS 139 2HE HIS 139 11.686 12.755 -30.434 1091 HB2 HIS 139 2HB HIS 139 10.593 8.187 -29.073 1092 HB3 HIS 139 1HB HIS 139 8.903 8.632 -28.865 1093 H HIS 140 HN HIS 140 10.955 10.871 -25.729 1094 HA HIS 140 HA HIS 140 8.273 12.021 -25.401 1095 HD1 HIS 140 1HD HIS 140 10.929 9.434 -23.195 1096 HD2 HIS 140 2HD HIS 140 11.307 13.463 -22.234 1097 HE1 HIS 140 1HE HIS 140 13.164 9.657 -22.076 1098 HE2 HIS 140 2HE HIS 140 13.449 12.121 -21.681 1099 HB2 HIS 140 2HB HIS 140 8.798 12.505 -23.027 1100 HB3 HIS 140 1HB HIS 140 8.722 10.783 -23.372 1101 H HIS 141 HN HIS 141 8.122 14.168 -25.474 1102 HA HIS 141 HA HIS 141 10.521 15.713 -26.055 1103 HD1 HIS 141 1HD HIS 141 11.109 17.695 -26.838 1104 HD2 HIS 141 2HD HIS 141 7.198 19.119 -26.952 1105 HE1 HIS 141 1HE HIS 141 11.286 20.139 -27.410 1106 HE2 HIS 141 2HE HIS 141 8.907 20.945 -27.617 1107 HB2 HIS 141 2HB HIS 141 8.439 15.997 -27.406 1108 HB3 HIS 141 1HB HIS 141 7.614 16.573 -25.965 1109 H HIS 142 HN HIS 142 8.195 15.112 -23.581 1110 HA HIS 142 HA HIS 142 9.972 16.157 -21.593 1111 HD1 HIS 142 1HD HIS 142 6.645 16.801 -19.389 1112 HD2 HIS 142 2HD HIS 142 10.028 19.165 -19.867 1113 HE1 HIS 142 1HE HIS 142 7.132 17.750 -17.109 1114 HE2 HIS 142 2HE HIS 142 9.267 19.056 -17.391 1115 HB2 HIS 142 2HB HIS 142 8.750 18.230 -22.149 1116 HB3 HIS 142 1HB HIS 142 7.220 17.403 -21.869 Start of MODEL 4 1 HA MET 1 HA MET 1 10.770 8.318 9.754 2 H1 MET 1 1HT MET 1 9.919 10.131 8.424 3 H2 MET 1 2HT MET 1 11.359 9.520 7.778 4 H3 MET 1 3HT MET 1 11.373 10.987 8.621 5 HB2 MET 1 2HB MET 1 13.179 8.820 9.168 6 HB3 MET 1 1HB MET 1 13.116 10.141 10.326 7 HG2 MET 1 2HG MET 1 12.639 8.559 12.117 8 HG3 MET 1 1HG MET 1 12.676 7.230 10.960 9 HE1 MET 1 3HE MET 1 14.396 7.266 13.634 10 HE2 MET 1 1HE MET 1 15.951 6.683 13.047 11 HE3 MET 1 2HE MET 1 14.458 5.944 12.472 12 H ALA 2 HN ALA 2 9.628 11.294 9.753 13 HA ALA 2 HA ALA 2 8.659 11.127 12.447 14 HB1 ALA 2 1HB ALA 2 10.809 12.252 12.837 15 HB2 ALA 2 2HB ALA 2 9.443 13.310 13.193 16 HB3 ALA 2 3HB ALA 2 10.347 13.513 11.692 17 H ASN 3 HN ASN 3 6.641 11.069 11.531 18 HA ASN 3 HA ASN 3 5.766 13.525 10.157 19 HB2 ASN 3 2HB ASN 3 5.563 11.465 8.772 20 HB3 ASN 3 1HB ASN 3 4.521 10.764 10.007 21 HD21 ASN 3 1HD2 ASN 3 2.764 10.569 8.689 22 HD22 ASN 3 2HD2 ASN 3 1.861 11.923 8.101 23 H ASP 4 HN ASP 4 4.388 14.773 11.293 24 HA ASP 4 HA ASP 4 3.106 13.541 13.636 25 HB2 ASP 4 2HB ASP 4 4.769 15.351 14.117 26 HB3 ASP 4 1HB ASP 4 3.725 16.476 13.253 27 H THR 5 HN THR 5 1.220 12.887 12.772 28 HA THR 5 HA THR 5 -0.573 15.002 11.796 29 HB THR 5 HB THR 5 -1.771 12.972 10.660 30 HG1 THR 5 1HG THR 5 -0.028 11.465 9.916 31 HG21 THR 5 3HG2 THR 5 0.813 14.095 9.565 32 HG22 THR 5 1HG2 THR 5 -0.774 14.849 9.446 33 HG23 THR 5 2HG2 THR 5 -0.459 13.325 8.617 34 HA PRO 6 HA PRO 6 -2.792 14.048 15.529 35 HB2 PRO 6 2HB PRO 6 -5.022 15.362 14.077 36 HB3 PRO 6 1HB PRO 6 -4.331 15.740 15.658 37 HG2 PRO 6 2HG PRO 6 -3.842 17.301 13.560 38 HG3 PRO 6 1HG PRO 6 -2.574 16.954 14.752 39 HD2 PRO 6 2HD PRO 6 -2.975 15.794 12.020 40 HD3 PRO 6 1HD PRO 6 -1.470 16.274 12.831 41 H PHE 7 HN PHE 7 -3.350 11.971 15.760 42 HA PHE 7 HA PHE 7 -5.025 10.701 13.754 43 HD1 PHE 7 1HD PHE 7 -1.772 10.704 16.220 44 HD2 PHE 7 2HD PHE 7 -4.950 8.035 17.150 45 HE1 PHE 7 1HE PHE 7 -0.951 10.542 18.532 46 HE2 PHE 7 2HE PHE 7 -4.138 7.871 19.467 47 HZ PHE 7 HZ PHE 7 -2.138 9.125 20.161 48 HB2 PHE 7 2HB PHE 7 -4.502 8.593 14.914 49 HB3 PHE 7 1HB PHE 7 -3.050 9.469 14.459 50 H SER 8 HN SER 8 -7.105 10.397 13.963 51 HA SER 8 HA SER 8 -8.382 10.904 16.537 52 HG SER 8 HG SER 8 -8.851 11.551 12.919 53 HB2 SER 8 2HB SER 8 -10.480 10.767 15.008 54 HB3 SER 8 1HB SER 8 -9.422 12.171 14.855 55 H ALA 9 HN ALA 9 -10.412 9.469 16.903 56 HA ALA 9 HA ALA 9 -9.528 6.810 17.260 57 HB1 ALA 9 1HB ALA 9 -11.182 7.887 18.717 58 HB2 ALA 9 2HB ALA 9 -11.776 6.358 18.067 59 HB3 ALA 9 3HB ALA 9 -12.345 7.883 17.389 60 H LEU 10 HN LEU 10 -11.528 8.354 14.809 61 HA LEU 10 HA LEU 10 -12.426 6.052 13.472 62 HG LEU 10 HG LEU 10 -13.815 6.625 11.499 63 HB2 LEU 10 2HB LEU 10 -13.157 8.472 13.160 64 HB3 LEU 10 1HB LEU 10 -11.725 8.688 12.180 65 HD11 LEU 10 1HD1 LEU 10 -14.900 8.812 11.632 66 HD12 LEU 10 2HD1 LEU 10 -14.773 8.257 9.963 67 HD13 LEU 10 3HD1 LEU 10 -13.667 9.490 10.568 68 HD21 LEU 10 3HD2 LEU 10 -12.889 6.813 9.265 69 HD22 LEU 10 1HD2 LEU 10 -11.610 6.420 10.414 70 HD23 LEU 10 2HD2 LEU 10 -11.774 8.067 9.808 71 H TRP 11 HN TRP 11 -9.492 7.976 13.131 72 HA TRP 11 HA TRP 11 -8.441 6.522 10.921 73 HD1 TRP 11 1HD TRP 11 -4.801 7.776 13.333 74 HE1 TRP 11 1HE TRP 11 -2.769 7.299 11.842 75 HE3 TRP 11 3HE TRP 11 -7.134 7.692 8.781 76 HZ2 TRP 11 2HZ TRP 11 -2.215 6.928 9.097 77 HZ3 TRP 11 3HZ TRP 11 -5.779 7.265 6.771 78 HH2 TRP 11 2HH TRP 11 -3.369 6.892 6.927 79 HB2 TRP 11 2HB TRP 11 -7.711 8.766 11.238 80 HB3 TRP 11 1HB TRP 11 -7.244 8.460 12.905 81 H GLN 12 HN GLN 12 -7.691 6.543 14.387 82 HA GLN 12 HA GLN 12 -5.671 4.661 14.440 83 HB2 GLN 12 2HB GLN 12 -6.331 6.067 16.353 84 HB3 GLN 12 1HB GLN 12 -7.794 5.113 16.543 85 HG2 GLN 12 2HG GLN 12 -6.410 3.126 16.990 86 HG3 GLN 12 1HG GLN 12 -4.968 4.130 16.872 87 HE21 GLN 12 1HE2 GLN 12 -7.739 3.303 18.772 88 HE22 GLN 12 2HE2 GLN 12 -7.255 4.121 20.221 89 H ARG 13 HN ARG 13 -9.186 4.073 14.534 90 HA ARG 13 HA ARG 13 -8.990 1.346 15.204 91 HE ARG 13 HE ARG 13 -13.259 4.410 12.132 92 HB2 ARG 13 2HB ARG 13 -11.307 1.122 14.565 93 HB3 ARG 13 1HB ARG 13 -11.082 2.630 15.435 94 HG2 ARG 13 2HG ARG 13 -11.204 3.892 13.408 95 HG3 ARG 13 1HG ARG 13 -11.218 2.415 12.441 96 HD2 ARG 13 2HD ARG 13 -13.351 1.780 13.420 97 HD3 ARG 13 1HD ARG 13 -13.332 3.226 14.430 98 HH11 ARG 13 1HH1 ARG 13 -15.002 1.465 12.854 99 HH12 ARG 13 2HH1 ARG 13 -16.257 1.766 11.686 100 HH21 ARG 13 1HH2 ARG 13 -14.920 4.825 10.605 101 HH22 ARG 13 2HH2 ARG 13 -16.208 3.674 10.403 102 H LEU 14 HN LEU 14 -8.802 2.972 12.089 103 HA LEU 14 HA LEU 14 -8.992 0.593 10.531 104 HG LEU 14 HG LEU 14 -9.604 3.177 8.028 105 HB2 LEU 14 2HB LEU 14 -8.141 3.395 10.016 106 HB3 LEU 14 1HB LEU 14 -7.608 2.167 8.885 107 HD11 LEU 14 1HD1 LEU 14 -9.368 0.786 7.657 108 HD12 LEU 14 2HD1 LEU 14 -11.068 1.225 7.830 109 HD13 LEU 14 3HD1 LEU 14 -10.215 0.455 9.167 110 HD21 LEU 14 3HD2 LEU 14 -11.724 3.149 9.227 111 HD22 LEU 14 1HD2 LEU 14 -10.506 4.053 10.127 112 HD23 LEU 14 2HD2 LEU 14 -10.936 2.416 10.624 113 H LEU 15 HN LEU 15 -6.294 2.436 11.885 114 HA LEU 15 HA LEU 15 -4.212 0.848 10.848 115 HG LEU 15 HG LEU 15 -4.615 3.912 11.575 116 HB2 LEU 15 2HB LEU 15 -4.327 2.378 13.449 117 HB3 LEU 15 1HB LEU 15 -2.867 1.736 12.724 118 HD11 LEU 15 1HD1 LEU 15 -2.674 5.334 11.993 119 HD12 LEU 15 2HD1 LEU 15 -1.836 3.972 12.737 120 HD13 LEU 15 3HD1 LEU 15 -3.292 4.628 13.487 121 HD21 LEU 15 3HD2 LEU 15 -2.057 2.704 10.522 122 HD22 LEU 15 1HD2 LEU 15 -2.866 4.129 9.866 123 HD23 LEU 15 2HD2 LEU 15 -3.659 2.553 9.796 124 H THR 16 HN THR 16 -6.335 0.497 13.565 125 HA THR 16 HA THR 16 -4.963 -1.470 15.022 126 HB THR 16 HB THR 16 -7.959 -1.086 14.876 127 HG1 THR 16 1HG THR 16 -6.625 0.853 15.354 128 HG21 THR 16 3HG2 THR 16 -6.181 -2.151 17.078 129 HG22 THR 16 1HG2 THR 16 -7.258 -3.114 16.065 130 HG23 THR 16 2HG2 THR 16 -7.928 -1.924 17.181 131 H ARG 17 HN ARG 17 -6.886 -1.661 12.138 132 HA ARG 17 HA ARG 17 -7.470 -4.447 12.309 133 HE ARG 17 HE ARG 17 -10.669 -3.943 10.693 134 HB2 ARG 17 2HB ARG 17 -8.838 -2.921 10.959 135 HB3 ARG 17 1HB ARG 17 -7.467 -2.610 9.905 136 HG2 ARG 17 2HG ARG 17 -7.563 -4.725 8.943 137 HG3 ARG 17 1HG ARG 17 -8.507 -5.393 10.274 138 HD2 ARG 17 2HD ARG 17 -9.554 -3.278 8.402 139 HD3 ARG 17 1HD ARG 17 -9.768 -5.007 8.128 140 HH11 ARG 17 1HH1 ARG 17 -11.504 -5.055 7.480 141 HH12 ARG 17 2HH1 ARG 17 -13.179 -5.309 7.856 142 HH21 ARG 17 1HH2 ARG 17 -12.849 -4.293 11.211 143 HH22 ARG 17 2HH2 ARG 17 -13.951 -4.890 9.996 144 H GLY 18 HN GLY 18 -4.610 -2.797 11.762 145 HA2 GLY 18 2HA GLY 18 -2.663 -4.288 11.910 146 HA3 GLY 18 1HA GLY 18 -3.430 -5.282 10.684 147 H TRP 19 HN TRP 19 -3.514 -1.820 10.420 148 HA TRP 19 HA TRP 19 -1.829 -2.037 8.030 149 HD1 TRP 19 1HD TRP 19 -3.820 -3.335 7.861 150 HE1 TRP 19 1HE TRP 19 -5.861 -3.923 6.428 151 HE3 TRP 19 3HE TRP 19 -5.340 1.391 6.649 152 HZ2 TRP 19 2HZ TRP 19 -7.856 -2.566 4.964 153 HZ3 TRP 19 3HZ TRP 19 -7.324 1.658 5.221 154 HH2 TRP 19 2HH TRP 19 -8.549 -0.282 4.392 155 HB2 TRP 19 2HB TRP 19 -3.798 0.095 8.884 156 HB3 TRP 19 1HB TRP 19 -2.840 0.150 7.407 157 H GLN 20 HN GLN 20 -0.072 -0.730 7.679 158 HA GLN 20 HA GLN 20 0.971 0.669 10.037 159 HB2 GLN 20 2HB GLN 20 2.296 -0.653 7.675 160 HB3 GLN 20 1HB GLN 20 3.157 0.375 8.794 161 HG2 GLN 20 2HG GLN 20 2.631 -1.137 10.624 162 HG3 GLN 20 1HG GLN 20 1.718 -2.159 9.513 163 HE21 GLN 20 1HE2 GLN 20 4.875 -1.097 10.502 164 HE22 GLN 20 2HE2 GLN 20 5.767 -2.313 9.651 165 HA PRO 21 HA PRO 21 0.689 4.358 7.440 166 HB2 PRO 21 2HB PRO 21 1.489 6.110 9.343 167 HB3 PRO 21 1HB PRO 21 -0.153 5.464 9.274 168 HG2 PRO 21 2HG PRO 21 2.107 4.710 11.064 169 HG3 PRO 21 1HG PRO 21 0.372 4.792 11.412 170 HD2 PRO 21 2HD PRO 21 1.777 2.467 10.891 171 HD3 PRO 21 1HD PRO 21 0.024 2.655 10.711 172 H VAL 22 HN VAL 22 2.287 4.600 5.983 173 HA VAL 22 HA VAL 22 5.067 4.556 6.968 174 HB VAL 22 HB VAL 22 5.702 3.836 4.663 175 HG11 VAL 22 1HG1 VAL 22 5.510 2.222 6.476 176 HG12 VAL 22 2HG1 VAL 22 4.989 1.509 4.951 177 HG13 VAL 22 3HG1 VAL 22 3.792 2.026 6.138 178 HG21 VAL 22 3HG2 VAL 22 2.723 3.512 4.315 179 HG22 VAL 22 1HG2 VAL 22 3.954 2.907 3.207 180 HG23 VAL 22 2HG2 VAL 22 3.759 4.643 3.448 181 H GLU 23 HN GLU 23 6.611 5.889 5.889 182 HA GLU 23 HA GLU 23 5.422 8.446 5.082 183 HB2 GLU 23 2HB GLU 23 8.174 7.764 6.119 184 HB3 GLU 23 1HB GLU 23 7.681 9.368 5.602 185 HG2 GLU 23 2HG GLU 23 6.059 9.489 7.372 186 HG3 GLU 23 1HG GLU 23 6.412 7.825 7.848 187 H ALA 24 HN ALA 24 7.345 9.698 3.764 188 HA ALA 24 HA ALA 24 7.274 8.555 1.178 189 HB1 ALA 24 1HB ALA 24 8.986 10.824 2.189 190 HB2 ALA 24 2HB ALA 24 7.337 10.977 1.586 191 HB3 ALA 24 3HB ALA 24 8.627 10.458 0.501 192 H SER 25 HN SER 25 9.928 8.995 3.506 193 HA SER 25 HA SER 25 11.688 7.382 1.855 194 HG SER 25 HG SER 25 12.724 9.499 5.176 195 HB2 SER 25 2HB SER 25 13.317 7.873 3.768 196 HB3 SER 25 1HB SER 25 12.764 9.254 2.820 197 H THR 26 HN THR 26 9.921 7.160 4.874 198 HA THR 26 HA THR 26 11.148 4.843 5.883 199 HB THR 26 HB THR 26 8.301 5.706 6.412 200 HG1 THR 26 1HG THR 26 9.233 7.045 8.044 201 HG21 THR 26 3HG2 THR 26 8.937 3.530 7.358 202 HG22 THR 26 1HG2 THR 26 8.705 4.732 8.628 203 HG23 THR 26 2HG2 THR 26 10.336 4.275 8.133 204 H VAL 27 HN VAL 27 8.654 5.268 3.453 205 HA VAL 27 HA VAL 27 7.602 2.629 3.585 206 HB VAL 27 HB VAL 27 6.449 4.575 2.490 207 HG11 VAL 27 1HG1 VAL 27 8.395 4.014 0.258 208 HG12 VAL 27 2HG1 VAL 27 8.275 5.495 1.209 209 HG13 VAL 27 3HG1 VAL 27 6.962 5.034 0.127 210 HG21 VAL 27 3HG2 VAL 27 5.647 2.303 2.201 211 HG22 VAL 27 1HG2 VAL 27 6.755 2.060 0.852 212 HG23 VAL 27 2HG2 VAL 27 5.434 3.220 0.713 213 H ASP 28 HN ASP 28 10.385 4.043 2.031 214 HA ASP 28 HA ASP 28 10.866 2.020 0.112 215 HB2 ASP 28 2HB ASP 28 11.930 4.243 0.016 216 HB3 ASP 28 1HB ASP 28 12.843 3.872 1.472 217 H ASP 29 HN ASP 29 11.811 2.439 3.464 218 HA ASP 29 HA ASP 29 13.462 0.111 3.571 219 HB2 ASP 29 2HB ASP 29 13.649 2.004 5.188 220 HB3 ASP 29 1HB ASP 29 12.087 1.539 5.857 221 H TRP 30 HN TRP 30 10.101 0.842 4.294 222 HA TRP 30 HA TRP 30 9.343 -1.592 5.440 223 HD1 TRP 30 1HD TRP 30 6.758 -1.225 7.120 224 HE1 TRP 30 1HE TRP 30 4.657 -2.695 6.873 225 HE3 TRP 30 3HE TRP 30 6.340 -1.190 2.024 226 HZ2 TRP 30 2HZ TRP 30 3.043 -3.706 4.793 227 HZ3 TRP 30 3HZ TRP 30 4.488 -2.437 0.984 228 HH2 TRP 30 2HH TRP 30 2.875 -3.670 2.342 229 HB2 TRP 30 2HB TRP 30 7.948 0.476 5.383 230 HB3 TRP 30 1HB TRP 30 7.661 0.198 3.668 231 H ILE 31 HN ILE 31 9.369 -0.561 2.045 232 HA ILE 31 HA ILE 31 8.350 -2.916 0.919 233 HB ILE 31 HB ILE 31 10.309 -0.950 -0.280 234 HG12 ILE 31 2HG1 ILE 31 7.309 -1.161 -0.604 235 HG13 ILE 31 1HG1 ILE 31 8.114 -0.021 0.469 236 HG21 ILE 31 1HG2 ILE 31 8.595 -3.027 -1.641 237 HG22 ILE 31 2HG2 ILE 31 10.349 -3.077 -1.481 238 HG23 ILE 31 3HG2 ILE 31 9.587 -1.818 -2.454 239 HD11 ILE 31 3HD1 ILE 31 9.207 1.008 -1.458 240 HD12 ILE 31 1HD1 ILE 31 7.449 1.045 -1.601 241 HD13 ILE 31 2HD1 ILE 31 8.384 -0.131 -2.525 242 H LYS 32 HN LYS 32 11.714 -1.973 1.579 243 HA LYS 32 HA LYS 32 12.854 -4.348 0.531 244 HB2 LYS 32 2HB LYS 32 14.597 -2.943 0.676 245 HB3 LYS 32 1HB LYS 32 13.770 -1.929 1.840 246 HG2 LYS 32 2HG LYS 32 15.028 -4.471 2.762 247 HG3 LYS 32 1HG LYS 32 16.037 -3.064 2.431 248 HD2 LYS 32 2HD LYS 32 14.603 -1.738 3.963 249 HD3 LYS 32 1HD LYS 32 13.731 -3.217 4.354 250 HE2 LYS 32 2HE LYS 32 15.807 -4.215 5.189 251 HE3 LYS 32 1HE LYS 32 16.666 -2.720 4.818 252 HZ1 LYS 32 3HZ LYS 32 14.478 -3.067 6.794 253 HZ2 LYS 32 1HZ LYS 32 15.133 -1.563 6.362 254 HZ3 LYS 32 2HZ LYS 32 16.099 -2.727 7.131 255 H ARG 33 HN ARG 33 11.440 -3.533 3.572 256 HA ARG 33 HA ARG 33 12.587 -5.613 5.142 257 HE ARG 33 HE ARG 33 8.704 -6.123 8.570 258 HB2 ARG 33 2HB ARG 33 11.661 -3.636 6.166 259 HB3 ARG 33 1HB ARG 33 10.093 -3.942 5.454 260 HG2 ARG 33 2HG ARG 33 10.003 -6.059 6.799 261 HG3 ARG 33 1HG ARG 33 11.443 -5.487 7.648 262 HD2 ARG 33 2HD ARG 33 10.321 -3.760 8.671 263 HD3 ARG 33 1HD ARG 33 9.084 -3.679 7.415 264 HH11 ARG 33 1HH1 ARG 33 8.804 -2.824 9.775 265 HH12 ARG 33 2HH1 ARG 33 7.673 -3.136 11.065 266 HH21 ARG 33 1HH2 ARG 33 7.223 -6.532 10.245 267 HH22 ARG 33 2HH2 ARG 33 6.773 -5.247 11.330 268 H VAL 34 HN VAL 34 9.504 -5.196 3.495 269 HA VAL 34 HA VAL 34 8.676 -7.865 4.329 270 HB VAL 34 HB VAL 34 6.449 -7.285 3.532 271 HG11 VAL 34 1HG1 VAL 34 7.031 -6.659 5.786 272 HG12 VAL 34 2HG1 VAL 34 5.986 -5.425 5.083 273 HG13 VAL 34 3HG1 VAL 34 7.720 -5.138 5.222 274 HG21 VAL 34 3HG2 VAL 34 7.666 -4.657 2.674 275 HG22 VAL 34 1HG2 VAL 34 5.942 -5.039 2.682 276 HG23 VAL 34 2HG2 VAL 34 7.034 -5.910 1.605 277 H GLY 35 HN GLY 35 9.367 -6.106 1.348 278 HA2 GLY 35 2HA GLY 35 9.933 -6.988 -0.718 279 HA3 GLY 35 1HA GLY 35 9.626 -8.598 -0.089 280 H ASP 36 HN ASP 36 7.087 -8.534 0.701 281 HA ASP 36 HA ASP 36 5.610 -7.925 -1.766 282 HB2 ASP 36 2HB ASP 36 4.983 -10.123 0.214 283 HB3 ASP 36 1HB ASP 36 4.281 -9.882 -1.374 284 H GLY 37 HN GLY 37 3.878 -6.591 -1.539 285 HA2 GLY 37 2HA GLY 37 2.142 -6.554 0.646 286 HA3 GLY 37 1HA GLY 37 3.377 -5.344 0.953 287 H VAL 38 HN VAL 38 0.949 -4.398 0.848 288 HA VAL 38 HA VAL 38 0.805 -3.077 -1.775 289 HB VAL 38 HB VAL 38 -1.703 -2.989 -1.490 290 HG11 VAL 38 1HG1 VAL 38 -0.694 -4.467 -3.112 291 HG12 VAL 38 2HG1 VAL 38 -2.056 -5.282 -2.342 292 HG13 VAL 38 3HG1 VAL 38 -0.406 -5.683 -1.869 293 HG21 VAL 38 3HG2 VAL 38 -1.168 -5.156 0.544 294 HG22 VAL 38 1HG2 VAL 38 -2.753 -4.702 -0.083 295 HG23 VAL 38 2HG2 VAL 38 -1.823 -3.554 0.883 296 H ILE 39 HN ILE 39 0.625 -0.925 -1.699 297 HA ILE 39 HA ILE 39 0.208 0.308 0.945 298 HB ILE 39 HB ILE 39 1.569 1.483 -1.496 299 HG12 ILE 39 2HG1 ILE 39 3.520 1.568 0.243 300 HG13 ILE 39 1HG1 ILE 39 2.609 0.309 1.069 301 HG21 ILE 39 1HG2 ILE 39 2.106 3.397 -0.081 302 HG22 ILE 39 2HG2 ILE 39 1.200 2.677 1.249 303 HG23 ILE 39 3HG2 ILE 39 0.360 3.180 -0.217 304 HD11 ILE 39 3HD1 ILE 39 4.322 -0.654 -0.331 305 HD12 ILE 39 1HD1 ILE 39 3.681 0.186 -1.740 306 HD13 ILE 39 2HD1 ILE 39 2.727 -1.075 -0.958 307 H LEU 40 HN LEU 40 -1.616 1.437 1.255 308 HA LEU 40 HA LEU 40 -3.349 1.978 -1.035 309 HG LEU 40 HG LEU 40 -3.892 -0.067 1.341 310 HB2 LEU 40 2HB LEU 40 -3.802 2.281 1.937 311 HB3 LEU 40 1HB LEU 40 -4.995 2.672 0.715 312 HD11 LEU 40 1HD1 LEU 40 -6.653 1.095 1.632 313 HD12 LEU 40 2HD1 LEU 40 -5.521 0.778 2.946 314 HD13 LEU 40 3HD1 LEU 40 -6.174 -0.563 2.004 315 HD21 LEU 40 3HD2 LEU 40 -4.254 0.198 -1.067 316 HD22 LEU 40 1HD2 LEU 40 -5.900 0.746 -0.756 317 HD23 LEU 40 2HD2 LEU 40 -5.429 -0.904 -0.349 318 H LEU 41 HN LEU 41 -3.683 3.970 -1.865 319 HA LEU 41 HA LEU 41 -2.138 6.175 -0.821 320 HG LEU 41 HG LEU 41 -1.786 4.916 -3.569 321 HB2 LEU 41 2HB LEU 41 -3.985 5.914 -3.185 322 HB3 LEU 41 1HB LEU 41 -3.234 7.432 -2.733 323 HD11 LEU 41 1HD1 LEU 41 -1.124 6.271 -5.514 324 HD12 LEU 41 2HD1 LEU 41 -2.185 7.562 -4.953 325 HD13 LEU 41 3HD1 LEU 41 -2.867 6.008 -5.434 326 HD21 LEU 41 3HD2 LEU 41 -0.709 7.637 -2.830 327 HD22 LEU 41 1HD2 LEU 41 0.235 6.307 -3.498 328 HD23 LEU 41 2HD2 LEU 41 -0.504 6.151 -1.904 329 H SER 42 HN SER 42 -3.382 8.377 -0.843 330 HA SER 42 HA SER 42 -5.319 8.104 1.269 331 HG SER 42 HG SER 42 -4.756 10.901 2.562 332 HB2 SER 42 2HB SER 42 -3.480 9.782 1.362 333 HB3 SER 42 1HB SER 42 -4.211 10.619 -0.006 334 H SER 43 HN SER 43 -7.194 7.338 0.374 335 HA SER 43 HA SER 43 -8.466 8.922 -1.715 336 HG SER 43 HG SER 43 -8.649 5.168 -0.739 337 HB2 SER 43 2HB SER 43 -10.292 7.087 -1.360 338 HB3 SER 43 1HB SER 43 -8.796 6.669 -2.193 339 H ASP 44 HN ASP 44 -10.780 9.531 -1.388 340 HA ASP 44 HA ASP 44 -10.991 11.172 0.913 341 HB2 ASP 44 2HB ASP 44 -12.039 11.468 -1.451 342 HB3 ASP 44 1HB ASP 44 -13.329 10.443 -0.835 343 HA PRO 45 HA PRO 45 -12.959 7.976 3.372 344 HB2 PRO 45 2HB PRO 45 -12.177 8.901 5.748 345 HB3 PRO 45 1HB PRO 45 -11.017 8.192 4.619 346 HG2 PRO 45 2HG PRO 45 -11.438 11.029 5.359 347 HG3 PRO 45 1HG PRO 45 -9.969 10.215 4.800 348 HD2 PRO 45 2HD PRO 45 -11.807 11.778 3.257 349 HD3 PRO 45 1HD PRO 45 -10.361 10.920 2.691 350 H ARG 46 HN ARG 46 -14.069 10.970 2.735 351 HA ARG 46 HA ARG 46 -15.760 11.256 5.097 352 HE ARG 46 HE ARG 46 -13.714 13.963 2.068 353 HB2 ARG 46 2HB ARG 46 -15.386 13.024 2.679 354 HB3 ARG 46 1HB ARG 46 -16.449 13.395 4.030 355 HG2 ARG 46 2HG ARG 46 -14.640 13.620 5.526 356 HG3 ARG 46 1HG ARG 46 -13.512 12.884 4.387 357 HD2 ARG 46 2HD ARG 46 -14.932 15.510 3.967 358 HD3 ARG 46 1HD ARG 46 -13.273 15.338 4.545 359 HH11 ARG 46 1HH1 ARG 46 -13.014 17.091 3.503 360 HH12 ARG 46 2HH1 ARG 46 -12.278 17.721 2.060 361 HH21 ARG 46 1HH2 ARG 46 -12.745 14.788 0.181 362 HH22 ARG 46 2HH2 ARG 46 -12.135 16.422 0.160 363 H ARG 47 HN ARG 47 -17.115 9.520 4.866 364 HA ARG 47 HA ARG 47 -19.065 8.491 4.374 365 HE ARG 47 HE ARG 47 -22.560 10.888 4.866 366 HB2 ARG 47 2HB ARG 47 -20.063 10.731 4.352 367 HB3 ARG 47 1HB ARG 47 -19.630 10.912 2.657 368 HG2 ARG 47 2HG ARG 47 -21.096 9.020 2.098 369 HG3 ARG 47 1HG ARG 47 -21.564 8.902 3.797 370 HD2 ARG 47 2HD ARG 47 -21.958 11.318 2.038 371 HD3 ARG 47 1HD ARG 47 -23.209 10.145 2.449 372 HH11 ARG 47 1HH1 ARG 47 -22.743 12.931 2.028 373 HH12 ARG 47 2HH1 ARG 47 -23.286 14.329 2.912 374 HH21 ARG 47 1HH2 ARG 47 -23.249 12.714 6.038 375 HH22 ARG 47 2HH2 ARG 47 -23.542 14.216 5.209 376 H THR 48 HN THR 48 -18.681 10.081 1.245 377 HA THR 48 HA THR 48 -18.519 9.359 -0.871 378 HB THR 48 HB THR 48 -16.899 7.636 -1.430 379 HG1 THR 48 1HG THR 48 -17.324 6.889 1.213 380 HG21 THR 48 3HG2 THR 48 -16.069 9.849 -0.875 381 HG22 THR 48 1HG2 THR 48 -14.932 8.618 -0.324 382 HG23 THR 48 2HG2 THR 48 -15.997 9.416 0.833 383 HA PRO 49 HA PRO 49 -21.577 6.310 -1.753 384 HB2 PRO 49 2HB PRO 49 -21.010 5.686 -4.324 385 HB3 PRO 49 1HB PRO 49 -21.697 7.246 -3.852 386 HG2 PRO 49 2HG PRO 49 -18.859 6.536 -4.483 387 HG3 PRO 49 1HG PRO 49 -19.786 7.967 -4.963 388 HD2 PRO 49 2HD PRO 49 -18.009 7.968 -2.902 389 HD3 PRO 49 1HD PRO 49 -19.433 9.024 -2.955 390 H GLU 50 HN GLU 50 -18.241 5.541 -1.922 391 HA GLU 50 HA GLU 50 -17.022 3.655 -1.690 392 HB2 GLU 50 2HB GLU 50 -18.430 3.315 0.287 393 HB3 GLU 50 1HB GLU 50 -19.623 2.477 -0.695 394 HG2 GLU 50 2HG GLU 50 -18.016 0.715 -1.168 395 HG3 GLU 50 1HG GLU 50 -16.794 1.564 -0.221 396 H VAL 51 HN VAL 51 -16.435 3.158 -3.735 397 HA VAL 51 HA VAL 51 -18.145 1.242 -5.167 398 HB VAL 51 HB VAL 51 -17.334 2.280 -7.329 399 HG11 VAL 51 1HG1 VAL 51 -19.047 4.006 -5.549 400 HG12 VAL 51 2HG1 VAL 51 -19.600 2.614 -6.477 401 HG13 VAL 51 3HG1 VAL 51 -19.005 4.049 -7.311 402 HG21 VAL 51 3HG2 VAL 51 -16.553 4.530 -5.476 403 HG22 VAL 51 1HG2 VAL 51 -16.622 4.634 -7.237 404 HG23 VAL 51 2HG2 VAL 51 -15.460 3.557 -6.460 405 H SER 52 HN SER 52 -14.860 2.559 -4.887 406 HA SER 52 HA SER 52 -13.739 -0.096 -5.075 407 HG SER 52 HG SER 52 -14.836 0.077 -7.155 408 HB2 SER 52 2HB SER 52 -13.001 2.043 -7.101 409 HB3 SER 52 1HB SER 52 -12.210 0.475 -6.929 410 H ASP 53 HN ASP 53 -11.313 0.025 -4.689 411 HA ASP 53 HA ASP 53 -9.635 0.566 -3.250 412 HB2 ASP 53 2HB ASP 53 -9.569 2.581 -4.817 413 HB3 ASP 53 1HB ASP 53 -10.505 3.447 -3.606 414 H ASN 54 HN ASN 54 -9.836 3.009 -1.458 415 HA ASN 54 HA ASN 54 -10.696 3.683 0.520 416 HB2 ASN 54 2HB ASN 54 -13.074 2.034 -0.344 417 HB3 ASN 54 1HB ASN 54 -13.027 2.914 1.177 418 HD21 ASN 54 1HD2 ASN 54 -11.442 5.093 -0.077 419 HD22 ASN 54 2HD2 ASN 54 -12.587 6.002 -0.994 420 HA PRO 55 HA PRO 55 -9.383 0.733 3.506 421 HB2 PRO 55 2HB PRO 55 -11.363 1.896 5.373 422 HB3 PRO 55 1HB PRO 55 -9.608 1.784 5.522 423 HG2 PRO 55 2HG PRO 55 -10.804 4.117 5.021 424 HG3 PRO 55 1HG PRO 55 -9.246 3.702 4.281 425 HD2 PRO 55 2HD PRO 55 -11.987 3.640 3.084 426 HD3 PRO 55 1HD PRO 55 -10.454 4.168 2.361 427 H VAL 56 HN VAL 56 -10.053 -1.092 4.700 428 HA VAL 56 HA VAL 56 -11.351 -2.815 5.398 429 HB VAL 56 HB VAL 56 -13.700 -1.136 4.503 430 HG11 VAL 56 1HG1 VAL 56 -14.261 -3.511 4.473 431 HG12 VAL 56 2HG1 VAL 56 -15.075 -2.687 5.803 432 HG13 VAL 56 3HG1 VAL 56 -13.655 -3.682 6.120 433 HG21 VAL 56 3HG2 VAL 56 -14.030 -0.765 6.906 434 HG22 VAL 56 1HG2 VAL 56 -12.470 -0.152 6.355 435 HG23 VAL 56 2HG2 VAL 56 -12.557 -1.673 7.241 436 H MET 57 HN MET 57 -12.565 -1.507 2.293 437 HA MET 57 HA MET 57 -13.539 -3.956 1.316 438 HB2 MET 57 2HB MET 57 -14.179 -1.782 0.368 439 HB3 MET 57 1HB MET 57 -12.548 -1.570 -0.256 440 HG2 MET 57 2HG MET 57 -12.842 -3.546 -1.673 441 HG3 MET 57 1HG MET 57 -14.484 -3.732 -1.066 442 HE1 MET 57 3HE MET 57 -15.424 -3.765 -3.557 443 HE2 MET 57 1HE MET 57 -13.763 -3.621 -4.136 444 HE3 MET 57 2HE MET 57 -15.011 -2.544 -4.763 445 H ILE 58 HN ILE 58 -10.325 -2.635 1.331 446 HA ILE 58 HA ILE 58 -9.181 -4.145 -0.742 447 HB ILE 58 HB ILE 58 -8.129 -2.172 0.353 448 HG12 ILE 58 2HG1 ILE 58 -5.800 -3.057 0.290 449 HG13 ILE 58 1HG1 ILE 58 -6.452 -4.693 0.255 450 HG21 ILE 58 1HG2 ILE 58 -8.572 -2.722 2.670 451 HG22 ILE 58 2HG2 ILE 58 -6.842 -2.490 2.413 452 HG23 ILE 58 3HG2 ILE 58 -7.501 -4.119 2.559 453 HD11 ILE 58 3HD1 ILE 58 -6.885 -2.577 -1.840 454 HD12 ILE 58 1HD1 ILE 58 -7.532 -4.215 -1.877 455 HD13 ILE 58 2HD1 ILE 58 -5.791 -3.955 -1.958 456 H ALA 59 HN ALA 59 -10.273 -5.105 2.340 457 HA ALA 59 HA ALA 59 -8.476 -7.182 2.958 458 HB1 ALA 59 1HB ALA 59 -11.389 -6.955 3.700 459 HB2 ALA 59 2HB ALA 59 -10.038 -6.241 4.583 460 HB3 ALA 59 3HB ALA 59 -10.192 -7.996 4.474 461 H GLU 60 HN GLU 60 -11.526 -7.219 1.119 462 HA GLU 60 HA GLU 60 -11.436 -10.040 0.719 463 HB2 GLU 60 2HB GLU 60 -13.250 -9.653 -0.932 464 HB3 GLU 60 1HB GLU 60 -13.575 -8.991 0.660 465 HG2 GLU 60 2HG GLU 60 -12.883 -6.766 -0.190 466 HG3 GLU 60 1HG GLU 60 -12.755 -7.475 -1.798 467 H LEU 61 HN LEU 61 -10.185 -7.283 -0.972 468 HA LEU 61 HA LEU 61 -9.468 -8.562 -3.380 469 HG LEU 61 HG LEU 61 -8.954 -5.022 -4.123 470 HB2 LEU 61 2HB LEU 61 -8.553 -6.132 -1.922 471 HB3 LEU 61 1HB LEU 61 -7.565 -6.738 -3.229 472 HD11 LEU 61 1HD1 LEU 61 -10.100 -7.705 -4.872 473 HD12 LEU 61 2HD1 LEU 61 -8.675 -6.942 -5.576 474 HD13 LEU 61 3HD1 LEU 61 -10.267 -6.219 -5.805 475 HD21 LEU 61 3HD2 LEU 61 -11.389 -5.051 -3.959 476 HD22 LEU 61 1HD2 LEU 61 -10.641 -4.964 -2.365 477 HD23 LEU 61 2HD2 LEU 61 -11.309 -6.489 -2.942 478 H LEU 62 HN LEU 62 -7.565 -7.871 -0.475 479 HA LEU 62 HA LEU 62 -5.174 -9.045 -1.169 480 HG LEU 62 HG LEU 62 -3.518 -8.920 0.637 481 HB2 LEU 62 2HB LEU 62 -5.767 -7.680 0.889 482 HB3 LEU 62 1HB LEU 62 -6.361 -9.166 1.598 483 HD11 LEU 62 1HD1 LEU 62 -4.582 -8.261 3.378 484 HD12 LEU 62 2HD1 LEU 62 -3.920 -7.108 2.220 485 HD13 LEU 62 3HD1 LEU 62 -2.882 -8.349 2.918 486 HD21 LEU 62 3HD2 LEU 62 -4.302 -11.174 1.085 487 HD22 LEU 62 1HD2 LEU 62 -4.864 -10.681 2.682 488 HD23 LEU 62 2HD2 LEU 62 -3.141 -10.677 2.313 489 H ARG 63 HN ARG 63 -7.991 -10.642 0.303 490 HA ARG 63 HA ARG 63 -6.666 -13.120 0.709 491 HE ARG 63 HE ARG 63 -10.676 -14.851 1.020 492 HB2 ARG 63 2HB ARG 63 -8.885 -14.033 1.187 493 HB3 ARG 63 1HB ARG 63 -8.609 -12.518 2.034 494 HG2 ARG 63 2HG ARG 63 -9.990 -11.331 0.489 495 HG3 ARG 63 1HG ARG 63 -10.146 -12.756 -0.539 496 HD2 ARG 63 2HD ARG 63 -11.133 -12.551 2.305 497 HD3 ARG 63 1HD ARG 63 -12.140 -12.356 0.870 498 HH11 ARG 63 1HH1 ARG 63 -13.683 -13.189 1.710 499 HH12 ARG 63 2HH1 ARG 63 -14.616 -14.657 1.807 500 HH21 ARG 63 1HH2 ARG 63 -11.887 -16.776 1.167 501 HH22 ARG 63 2HH2 ARG 63 -13.593 -16.691 1.509 502 H GLU 64 HN GLU 64 -7.676 -11.705 -2.139 503 HA GLU 64 HA GLU 64 -8.580 -14.086 -3.488 504 HB2 GLU 64 2HB GLU 64 -8.844 -11.375 -3.928 505 HB3 GLU 64 1HB GLU 64 -7.652 -11.833 -5.133 506 HG2 GLU 64 2HG GLU 64 -10.343 -13.143 -4.817 507 HG3 GLU 64 1HG GLU 64 -9.986 -11.846 -5.953 508 H PHE 65 HN PHE 65 -5.604 -12.603 -2.687 509 HA PHE 65 HA PHE 65 -4.168 -14.331 -4.603 510 HD1 PHE 65 1HD PHE 65 -4.810 -12.990 -6.780 511 HD2 PHE 65 2HD PHE 65 -4.352 -9.792 -4.016 512 HE1 PHE 65 1HE PHE 65 -6.436 -11.665 -8.061 513 HE2 PHE 65 2HE PHE 65 -5.982 -8.461 -5.289 514 HZ PHE 65 HZ PHE 65 -7.028 -9.397 -7.314 515 HB2 PHE 65 2HB PHE 65 -3.061 -11.668 -3.763 516 HB3 PHE 65 1HB PHE 65 -2.695 -12.614 -5.198 517 HA PRO 66 HA PRO 66 -2.684 -14.548 -0.129 518 HB2 PRO 66 2HB PRO 66 -3.619 -16.925 0.674 519 HB3 PRO 66 1HB PRO 66 -4.646 -15.487 0.661 520 HG2 PRO 66 2HG PRO 66 -4.552 -17.769 -1.255 521 HG3 PRO 66 1HG PRO 66 -5.947 -16.847 -0.671 522 HD2 PRO 66 2HD PRO 66 -4.661 -16.470 -3.112 523 HD3 PRO 66 1HD PRO 66 -5.740 -15.304 -2.323 524 H GLN 67 HN GLN 67 -1.254 -15.130 -2.497 525 HA GLN 67 HA GLN 67 0.010 -17.720 -2.107 526 HB2 GLN 67 2HB GLN 67 -0.397 -16.966 -4.394 527 HB3 GLN 67 1HB GLN 67 0.546 -15.512 -4.107 528 HG2 GLN 67 2HG GLN 67 1.812 -17.144 -5.379 529 HG3 GLN 67 1HG GLN 67 2.551 -16.852 -3.806 530 HE21 GLN 67 1HE2 GLN 67 3.623 -18.784 -3.723 531 HE22 GLN 67 2HE2 GLN 67 2.817 -20.307 -3.533 532 H PHE 68 HN PHE 68 0.816 -14.292 -1.898 533 HA PHE 68 HA PHE 68 3.422 -14.959 -0.733 534 HD1 PHE 68 2HD PHE 68 4.686 -14.618 -3.160 535 HD2 PHE 68 1HD PHE 68 1.475 -11.866 -3.390 536 HE1 PHE 68 2HE PHE 68 4.612 -14.925 -5.605 537 HE2 PHE 68 1HE PHE 68 1.372 -12.148 -5.823 538 HZ PHE 68 HZ PHE 68 2.947 -13.685 -6.942 539 HB2 PHE 68 2HB PHE 68 2.517 -12.168 -1.387 540 HB3 PHE 68 1HB PHE 68 4.152 -12.817 -1.345 541 H ASP 69 HN ASP 69 4.097 -13.379 1.061 542 HA ASP 69 HA ASP 69 1.980 -13.333 3.053 543 HB2 ASP 69 2HB ASP 69 4.298 -14.163 3.579 544 HB3 ASP 69 1HB ASP 69 4.877 -12.514 3.370 545 H TRP 70 HN TRP 70 0.769 -11.711 1.881 546 HA TRP 70 HA TRP 70 1.837 -9.150 1.298 547 HD1 TRP 70 1HD TRP 70 -0.762 -12.161 0.006 548 HE1 TRP 70 1HE TRP 70 -0.430 -12.379 -2.528 549 HE3 TRP 70 3HE TRP 70 0.611 -7.346 -1.067 550 HZ2 TRP 70 2HZ TRP 70 0.295 -10.746 -4.693 551 HZ3 TRP 70 3HZ TRP 70 1.105 -6.765 -3.410 552 HH2 TRP 70 2HH TRP 70 0.947 -8.445 -5.183 553 HB2 TRP 70 2HB TRP 70 -1.039 -10.020 1.589 554 HB3 TRP 70 1HB TRP 70 -0.523 -8.466 0.956 555 H GLN 71 HN GLN 71 1.626 -7.229 2.319 556 HA GLN 71 HA GLN 71 0.273 -7.126 4.902 557 HB2 GLN 71 2HB GLN 71 3.129 -6.366 4.358 558 HB3 GLN 71 1HB GLN 71 2.226 -5.663 5.696 559 HG2 GLN 71 2HG GLN 71 2.205 -7.591 6.882 560 HG3 GLN 71 1HG GLN 71 2.179 -8.604 5.440 561 HE21 GLN 71 1HE2 GLN 71 4.088 -9.082 4.394 562 HE22 GLN 71 2HE2 GLN 71 5.617 -8.917 5.176 563 H VAL 72 HN VAL 72 -0.557 -5.062 5.427 564 HA VAL 72 HA VAL 72 -0.844 -3.374 3.032 565 HB VAL 72 HB VAL 72 -2.648 -3.447 5.456 566 HG11 VAL 72 1HG1 VAL 72 -4.237 -2.292 3.962 567 HG12 VAL 72 2HG1 VAL 72 -2.978 -2.204 2.728 568 HG13 VAL 72 3HG1 VAL 72 -2.775 -1.353 4.260 569 HG21 VAL 72 3HG2 VAL 72 -3.000 -4.795 2.778 570 HG22 VAL 72 1HG2 VAL 72 -4.206 -4.729 4.065 571 HG23 VAL 72 2HG2 VAL 72 -2.693 -5.601 4.317 572 H ALA 73 HN ALA 73 -0.037 -1.411 2.989 573 HA ALA 73 HA ALA 73 0.504 -0.048 5.544 574 HB1 ALA 73 1HB ALA 73 2.406 1.064 4.470 575 HB2 ALA 73 2HB ALA 73 2.100 0.159 2.987 576 HB3 ALA 73 3HB ALA 73 2.599 -0.690 4.450 577 H VAL 74 HN VAL 74 0.111 2.201 5.583 578 HA VAL 74 HA VAL 74 -1.433 3.263 3.317 579 HB VAL 74 HB VAL 74 -3.037 4.298 4.907 580 HG11 VAL 74 1HG1 VAL 74 -4.318 2.264 5.370 581 HG12 VAL 74 2HG1 VAL 74 -2.893 1.290 5.008 582 HG13 VAL 74 3HG1 VAL 74 -3.643 2.263 3.742 583 HG21 VAL 74 3HG2 VAL 74 -1.715 2.506 6.943 584 HG22 VAL 74 1HG2 VAL 74 -3.185 3.446 7.196 585 HG23 VAL 74 2HG2 VAL 74 -1.650 4.268 6.911 586 H ALA 75 HN ALA 75 -1.873 5.668 3.684 587 HA ALA 75 HA ALA 75 0.247 7.041 5.137 588 HB1 ALA 75 1HB ALA 75 0.873 8.342 3.124 589 HB2 ALA 75 2HB ALA 75 -0.149 7.285 2.154 590 HB3 ALA 75 3HB ALA 75 1.264 6.629 2.983 591 H ASP 76 HN ASP 76 -0.233 9.281 5.520 592 HA ASP 76 HA ASP 76 -3.092 9.744 5.472 593 HB2 ASP 76 2HB ASP 76 -2.473 11.820 6.863 594 HB3 ASP 76 1HB ASP 76 -2.297 10.233 7.590 595 H LEU 77 HN LEU 77 -0.665 12.337 5.097 596 HA LEU 77 HA LEU 77 -2.190 13.159 2.701 597 HG LEU 77 HG LEU 77 -3.996 14.438 3.695 598 HB2 LEU 77 2HB LEU 77 -1.328 14.849 5.036 599 HB3 LEU 77 1HB LEU 77 -1.695 15.553 3.476 600 HD11 LEU 77 1HD1 LEU 77 -4.756 13.996 5.962 601 HD12 LEU 77 2HD1 LEU 77 -3.129 14.287 6.577 602 HD13 LEU 77 3HD1 LEU 77 -3.439 12.911 5.516 603 HD21 LEU 77 3HD2 LEU 77 -3.196 16.641 5.590 604 HD22 LEU 77 1HD2 LEU 77 -4.839 16.285 5.057 605 HD23 LEU 77 2HD2 LEU 77 -3.634 16.833 3.892 606 H GLU 78 HN GLU 78 0.645 14.514 4.381 607 HA GLU 78 HA GLU 78 1.898 15.441 2.071 608 HB2 GLU 78 2HB GLU 78 2.544 16.289 4.229 609 HB3 GLU 78 1HB GLU 78 3.046 14.692 4.764 610 HG2 GLU 78 2HG GLU 78 4.787 14.756 2.952 611 HG3 GLU 78 1HG GLU 78 4.374 16.455 2.728 612 H GLN 79 HN GLN 79 2.665 12.577 3.984 613 HA GLN 79 HA GLN 79 4.683 11.533 2.404 614 HB2 GLN 79 2HB GLN 79 3.990 9.333 3.485 615 HB3 GLN 79 1HB GLN 79 4.404 10.658 4.557 616 HG2 GLN 79 2HG GLN 79 1.988 11.149 4.808 617 HG3 GLN 79 1HG GLN 79 1.645 9.711 3.859 618 HE21 GLN 79 1HE2 GLN 79 4.250 9.974 6.179 619 HE22 GLN 79 2HE2 GLN 79 3.602 8.844 7.310 620 H SER 80 HN SER 80 1.201 11.023 2.215 621 HA SER 80 HA SER 80 1.068 8.984 0.353 622 HG SER 80 HG SER 80 -1.785 10.356 2.172 623 HB2 SER 80 2HB SER 80 -0.811 11.349 0.467 624 HB3 SER 80 1HB SER 80 -1.183 9.713 -0.080 625 H GLU 81 HN GLU 81 1.325 12.482 -0.248 626 HA GLU 81 HA GLU 81 1.100 12.288 -3.061 627 HB2 GLU 81 2HB GLU 81 0.711 14.390 -1.870 628 HB3 GLU 81 1HB GLU 81 2.401 14.436 -1.388 629 HG2 GLU 81 2HG GLU 81 3.081 14.649 -3.704 630 HG3 GLU 81 1HG GLU 81 1.396 14.554 -4.220 631 H ALA 82 HN ALA 82 3.914 12.506 -0.909 632 HA ALA 82 HA ALA 82 5.858 12.476 -2.955 633 HB1 ALA 82 1HB ALA 82 6.117 11.610 -0.078 634 HB2 ALA 82 2HB ALA 82 6.354 13.246 -0.695 635 HB3 ALA 82 3HB ALA 82 7.451 11.953 -1.178 636 H ILE 83 HN ILE 83 4.349 9.907 -1.059 637 HA ILE 83 HA ILE 83 5.840 7.743 -2.037 638 HB ILE 83 HB ILE 83 3.021 7.918 -0.990 639 HG12 ILE 83 2HG1 ILE 83 5.570 6.789 0.189 640 HG13 ILE 83 1HG1 ILE 83 4.856 8.344 0.597 641 HG21 ILE 83 1HG2 ILE 83 3.079 6.024 -2.498 642 HG22 ILE 83 2HG2 ILE 83 3.035 5.462 -0.828 643 HG23 ILE 83 3HG2 ILE 83 4.549 5.426 -1.729 644 HD11 ILE 83 3HD1 ILE 83 4.372 6.682 2.291 645 HD12 ILE 83 1HD1 ILE 83 3.613 5.649 1.081 646 HD13 ILE 83 2HD1 ILE 83 2.890 7.204 1.491 647 H GLY 84 HN GLY 84 2.733 9.077 -3.156 648 HA2 GLY 84 2HA GLY 84 2.392 7.345 -5.336 649 HA3 GLY 84 1HA GLY 84 1.664 8.936 -5.177 650 H ASP 85 HN ASP 85 3.911 10.562 -5.192 651 HA ASP 85 HA ASP 85 4.429 10.883 -7.913 652 HB2 ASP 85 2HB ASP 85 4.739 12.707 -6.334 653 HB3 ASP 85 1HB ASP 85 6.053 11.836 -5.554 654 H ARG 86 HN ARG 86 6.374 9.318 -5.411 655 HA ARG 86 HA ARG 86 8.651 8.853 -6.988 656 HE ARG 86 HE ARG 86 12.234 6.553 -4.602 657 HB2 ARG 86 2HB ARG 86 8.572 8.700 -4.500 658 HB3 ARG 86 1HB ARG 86 7.690 7.185 -4.662 659 HG2 ARG 86 2HG ARG 86 9.569 6.189 -5.831 660 HG3 ARG 86 1HG ARG 86 10.454 7.711 -5.723 661 HD2 ARG 86 2HD ARG 86 10.288 7.537 -3.239 662 HD3 ARG 86 1HD ARG 86 9.602 5.926 -3.456 663 HH11 ARG 86 1HH1 ARG 86 10.278 4.730 -2.342 664 HH12 ARG 86 2HH1 ARG 86 11.561 3.632 -1.940 665 HH21 ARG 86 1HH2 ARG 86 13.897 5.136 -4.078 666 HH22 ARG 86 2HH2 ARG 86 13.626 3.872 -2.901 667 H PHE 87 HN PHE 87 5.756 6.899 -6.417 668 HA PHE 87 HA PHE 87 6.767 4.726 -8.041 669 HD1 PHE 87 2HD PHE 87 7.404 3.798 -6.418 670 HD2 PHE 87 1HD PHE 87 3.506 4.182 -4.758 671 HE1 PHE 87 2HE PHE 87 8.249 2.996 -4.248 672 HE2 PHE 87 1HE PHE 87 4.346 3.385 -2.588 673 HZ PHE 87 HZ PHE 87 6.720 2.789 -2.332 674 HB2 PHE 87 2HB PHE 87 4.014 5.158 -6.861 675 HB3 PHE 87 1HB PHE 87 4.571 3.680 -7.637 676 H ASN 88 HN ASN 88 5.621 7.683 -8.723 677 HA ASN 88 HA ASN 88 5.101 8.716 -10.666 678 HB2 ASN 88 2HB ASN 88 5.529 5.956 -11.801 679 HB3 ASN 88 1HB ASN 88 5.027 7.310 -12.806 680 HD21 ASN 88 1HD2 ASN 88 7.173 7.731 -10.089 681 HD22 ASN 88 2HD2 ASN 88 8.597 8.060 -11.011 682 H VAL 89 HN VAL 89 3.150 7.348 -8.869 683 HA VAL 89 HA VAL 89 0.840 7.525 -10.688 684 HB VAL 89 HB VAL 89 1.089 5.619 -8.351 685 HG11 VAL 89 1HG1 VAL 89 -1.175 6.439 -8.575 686 HG12 VAL 89 2HG1 VAL 89 -1.092 4.761 -9.118 687 HG13 VAL 89 3HG1 VAL 89 -1.167 6.068 -10.301 688 HG21 VAL 89 3HG2 VAL 89 1.012 5.075 -11.318 689 HG22 VAL 89 1HG2 VAL 89 0.947 3.844 -10.055 690 HG23 VAL 89 2HG2 VAL 89 2.392 4.839 -10.244 691 H ARG 90 HN ARG 90 0.122 9.519 -10.175 692 HA ARG 90 HA ARG 90 -0.485 10.037 -7.340 693 HE ARG 90 HE ARG 90 1.664 12.319 -12.121 694 HB2 ARG 90 2HB ARG 90 -0.023 12.474 -7.806 695 HB3 ARG 90 1HB ARG 90 1.392 11.435 -7.788 696 HG2 ARG 90 2HG ARG 90 0.053 12.026 -10.387 697 HG3 ARG 90 1HG ARG 90 1.083 13.248 -9.642 698 HD2 ARG 90 2HD ARG 90 2.967 11.783 -9.670 699 HD3 ARG 90 1HD ARG 90 1.965 10.412 -10.143 700 HH11 ARG 90 1HH1 ARG 90 4.358 10.557 -10.742 701 HH12 ARG 90 2HH1 ARG 90 5.193 10.400 -12.256 702 HH21 ARG 90 1HH2 ARG 90 2.775 12.127 -14.116 703 HH22 ARG 90 2HH2 ARG 90 4.305 11.299 -14.158 704 H ARG 91 HN ARG 91 -2.068 9.019 -9.624 705 HA ARG 91 HA ARG 91 -4.245 10.971 -9.447 706 HE ARG 91 HE ARG 91 -4.175 12.999 -11.365 707 HB2 ARG 91 2HB ARG 91 -3.210 11.310 -11.631 708 HB3 ARG 91 1HB ARG 91 -3.326 9.594 -11.980 709 HG2 ARG 91 2HG ARG 91 -5.038 10.853 -13.156 710 HG3 ARG 91 1HG ARG 91 -5.757 9.746 -11.986 711 HD2 ARG 91 2HD ARG 91 -6.850 11.948 -11.981 712 HD3 ARG 91 1HD ARG 91 -6.109 11.564 -10.429 713 HH11 ARG 91 1HH1 ARG 91 -7.579 13.558 -11.971 714 HH12 ARG 91 2HH1 ARG 91 -7.406 15.279 -12.121 715 HH21 ARG 91 1HH2 ARG 91 -3.932 15.243 -11.557 716 HH22 ARG 91 2HH2 ARG 91 -5.311 16.246 -11.901 717 H PHE 92 HN PHE 92 -6.158 10.103 -8.991 718 HA PHE 92 HA PHE 92 -7.822 8.614 -8.590 719 HD1 PHE 92 2HD PHE 92 -9.279 8.575 -10.328 720 HD2 PHE 92 1HD PHE 92 -5.965 6.823 -12.332 721 HE1 PHE 92 2HE PHE 92 -10.088 9.490 -12.461 722 HE2 PHE 92 1HE PHE 92 -6.766 7.732 -14.473 723 HZ PHE 92 HZ PHE 92 -8.832 9.065 -14.538 724 HB2 PHE 92 2HB PHE 92 -6.134 6.589 -10.076 725 HB3 PHE 92 1HB PHE 92 -7.794 6.345 -9.547 726 HA PRO 93 HA PRO 93 -6.339 6.635 -4.864 727 HB2 PRO 93 2HB PRO 93 -8.937 5.285 -4.793 728 HB3 PRO 93 1HB PRO 93 -8.247 6.432 -3.642 729 HG2 PRO 93 2HG PRO 93 -10.320 7.078 -5.251 730 HG3 PRO 93 1HG PRO 93 -9.102 8.262 -4.743 731 HD2 PRO 93 2HD PRO 93 -9.374 6.814 -7.349 732 HD3 PRO 93 1HD PRO 93 -8.912 8.501 -7.039 733 H ALA 94 HN ALA 94 -4.981 4.969 -5.110 734 HA ALA 94 HA ALA 94 -5.919 2.542 -6.426 735 HB1 ALA 94 1HB ALA 94 -4.028 2.476 -7.942 736 HB2 ALA 94 2HB ALA 94 -3.451 4.022 -7.321 737 HB3 ALA 94 3HB ALA 94 -4.976 3.941 -8.204 738 H THR 95 HN THR 95 -5.061 0.741 -5.640 739 HA THR 95 HA THR 95 -3.244 0.836 -3.435 740 HB THR 95 HB THR 95 -4.136 -1.605 -4.969 741 HG1 THR 95 1HG THR 95 -5.591 0.139 -3.422 742 HG21 THR 95 3HG2 THR 95 -2.343 -1.986 -3.359 743 HG22 THR 95 1HG2 THR 95 -3.844 -2.726 -2.804 744 HG23 THR 95 2HG2 THR 95 -3.296 -1.206 -2.096 745 H LEU 96 HN LEU 96 -1.064 0.546 -3.484 746 HA LEU 96 HA LEU 96 0.208 0.154 -6.084 747 HG LEU 96 HG LEU 96 2.167 2.923 -4.596 748 HB2 LEU 96 2HB LEU 96 1.290 0.922 -3.375 749 HB3 LEU 96 1HB LEU 96 2.330 0.576 -4.740 750 HD11 LEU 96 1HD1 LEU 96 2.035 2.068 -6.860 751 HD12 LEU 96 2HD1 LEU 96 1.106 3.557 -6.698 752 HD13 LEU 96 3HD1 LEU 96 0.277 2.001 -6.750 753 HD21 LEU 96 3HD2 LEU 96 -0.830 2.618 -4.493 754 HD22 LEU 96 1HD2 LEU 96 0.047 4.146 -4.563 755 HD23 LEU 96 2HD2 LEU 96 0.218 3.096 -3.158 756 H VAL 97 HN VAL 97 1.172 -1.684 -6.701 757 HA VAL 97 HA VAL 97 1.001 -3.929 -4.812 758 HB VAL 97 HB VAL 97 1.210 -4.073 -7.822 759 HG11 VAL 97 1HG1 VAL 97 0.402 -6.369 -7.502 760 HG12 VAL 97 2HG1 VAL 97 0.450 -6.130 -5.754 761 HG13 VAL 97 3HG1 VAL 97 1.944 -6.087 -6.691 762 HG21 VAL 97 3HG2 VAL 97 -1.253 -4.235 -6.089 763 HG22 VAL 97 1HG2 VAL 97 -1.192 -4.520 -7.829 764 HG23 VAL 97 2HG2 VAL 97 -0.842 -2.916 -7.186 765 H PHE 98 HN PHE 98 2.861 -4.448 -3.900 766 HA PHE 98 HA PHE 98 5.281 -4.426 -5.574 767 HD1 PHE 98 2HD PHE 98 7.888 -3.207 -4.687 768 HD2 PHE 98 1HD PHE 98 4.189 -1.502 -3.458 769 HE1 PHE 98 2HE PHE 98 8.628 -1.018 -5.512 770 HE2 PHE 98 1HE PHE 98 4.921 0.691 -4.280 771 HZ PHE 98 HZ PHE 98 7.145 0.939 -5.313 772 HB2 PHE 98 2HB PHE 98 4.865 -3.694 -2.707 773 HB3 PHE 98 1HB PHE 98 6.410 -4.385 -3.197 774 H THR 99 HN THR 99 6.540 -6.197 -5.633 775 HA THR 99 HA THR 99 6.010 -8.444 -3.863 776 HB THR 99 HB THR 99 6.009 -9.110 -6.766 777 HG1 THR 99 1HG THR 99 3.863 -7.939 -5.342 778 HG21 THR 99 3HG2 THR 99 4.601 -10.973 -5.987 779 HG22 THR 99 1HG2 THR 99 4.668 -10.316 -4.352 780 HG23 THR 99 2HG2 THR 99 6.140 -10.895 -5.129 781 H ASP 100 HN ASP 100 7.743 -9.803 -3.709 782 HA ASP 100 HA ASP 100 9.927 -10.457 -3.755 783 HB2 ASP 100 2HB ASP 100 9.331 -10.894 -6.164 784 HB3 ASP 100 1HB ASP 100 10.002 -9.323 -6.558 785 H GLY 101 HN GLY 101 9.070 -7.564 -3.225 786 HA2 GLY 101 2HA GLY 101 10.220 -5.751 -2.351 787 HA3 GLY 101 1HA GLY 101 11.732 -6.507 -2.843 788 H LYS 102 HN LYS 102 9.649 -6.522 -5.441 789 HA LYS 102 HA LYS 102 10.743 -3.970 -6.436 790 HB2 LYS 102 2HB LYS 102 10.130 -6.421 -8.095 791 HB3 LYS 102 1HB LYS 102 10.922 -4.950 -8.632 792 HG2 LYS 102 2HG LYS 102 12.797 -5.452 -7.089 793 HG3 LYS 102 1HG LYS 102 12.016 -6.986 -6.703 794 HD2 LYS 102 2HD LYS 102 12.094 -7.545 -9.138 795 HD3 LYS 102 1HD LYS 102 13.056 -6.088 -9.386 796 HE2 LYS 102 2HE LYS 102 13.775 -8.501 -7.731 797 HE3 LYS 102 1HE LYS 102 14.540 -7.961 -9.223 798 HZ1 LYS 102 3HZ LYS 102 14.636 -6.646 -6.563 799 HZ2 LYS 102 1HZ LYS 102 15.172 -5.902 -7.990 800 HZ3 LYS 102 2HZ LYS 102 15.925 -7.310 -7.439 801 H LEU 103 HN LEU 103 9.435 -2.949 -8.142 802 HA LEU 103 HA LEU 103 6.665 -2.900 -7.400 803 HG LEU 103 HG LEU 103 5.712 -1.455 -10.052 804 HB2 LEU 103 2HB LEU 103 7.843 -0.842 -8.002 805 HB3 LEU 103 1HB LEU 103 8.145 -1.467 -9.610 806 HD11 LEU 103 1HD1 LEU 103 4.225 -0.255 -8.515 807 HD12 LEU 103 2HD1 LEU 103 5.540 -0.133 -7.347 808 HD13 LEU 103 3HD1 LEU 103 4.892 -1.714 -7.785 809 HD21 LEU 103 3HD2 LEU 103 7.067 0.434 -10.741 810 HD22 LEU 103 1HD2 LEU 103 6.879 1.178 -9.154 811 HD23 LEU 103 2HD2 LEU 103 5.480 0.989 -10.211 812 H ARG 104 HN ARG 104 4.928 -3.702 -8.501 813 HA ARG 104 HA ARG 104 5.535 -5.193 -10.966 814 HE ARG 104 HE ARG 104 7.208 -8.995 -8.917 815 HB2 ARG 104 2HB ARG 104 3.590 -5.930 -8.776 816 HB3 ARG 104 1HB ARG 104 3.709 -6.762 -10.321 817 HG2 ARG 104 2HG ARG 104 5.856 -6.574 -8.217 818 HG3 ARG 104 1HG ARG 104 4.902 -7.998 -8.635 819 HD2 ARG 104 2HD ARG 104 5.866 -8.000 -10.871 820 HD3 ARG 104 1HD ARG 104 6.790 -6.550 -10.487 821 HH11 ARG 104 1HH1 ARG 104 8.417 -6.527 -11.077 822 HH12 ARG 104 2HH1 ARG 104 10.063 -7.079 -11.007 823 HH21 ARG 104 1HH2 ARG 104 9.380 -9.731 -8.803 824 HH22 ARG 104 2HH2 ARG 104 10.607 -8.917 -9.714 825 H GLY 105 HN GLY 105 3.140 -3.232 -9.245 826 HA2 GLY 105 2HA GLY 105 2.306 -1.850 -11.493 827 HA3 GLY 105 1HA GLY 105 1.238 -3.240 -11.364 828 H ALA 106 HN ALA 106 -0.445 -1.615 -11.099 829 HA ALA 106 HA ALA 106 -0.905 -1.050 -8.299 830 HB1 ALA 106 1HB ALA 106 -0.821 1.196 -10.315 831 HB2 ALA 106 2HB ALA 106 0.344 0.929 -9.019 832 HB3 ALA 106 3HB ALA 106 -1.328 1.335 -8.631 833 H LEU 107 HN LEU 107 -3.092 -0.092 -7.981 834 HA LEU 107 HA LEU 107 -4.987 -1.450 -9.728 835 HG LEU 107 HG LEU 107 -6.332 -2.419 -6.474 836 HB2 LEU 107 2HB LEU 107 -4.982 -0.418 -6.953 837 HB3 LEU 107 1HB LEU 107 -6.523 -0.404 -7.778 838 HD11 LEU 107 1HD1 LEU 107 -5.993 -2.997 -9.413 839 HD12 LEU 107 2HD1 LEU 107 -7.506 -2.614 -8.590 840 HD13 LEU 107 3HD1 LEU 107 -6.653 -4.114 -8.218 841 HD21 LEU 107 3HD2 LEU 107 -4.581 -4.085 -6.921 842 HD22 LEU 107 1HD2 LEU 107 -3.916 -2.571 -6.311 843 HD23 LEU 107 2HD2 LEU 107 -3.803 -2.953 -8.028 844 H SER 108 HN SER 108 -3.596 1.122 -10.426 845 HA SER 108 HA SER 108 -5.387 3.288 -10.222 846 HG SER 108 HG SER 108 -2.849 4.202 -9.841 847 HB2 SER 108 2HB SER 108 -3.223 2.884 -12.294 848 HB3 SER 108 1HB SER 108 -3.889 4.418 -11.734 849 H GLY 109 HN GLY 109 -7.043 3.939 -11.456 850 HA2 GLY 109 2HA GLY 109 -7.975 4.294 -13.659 851 HA3 GLY 109 1HA GLY 109 -7.381 2.702 -14.107 852 H ILE 110 HN ILE 110 -10.085 3.803 -14.301 853 HA ILE 110 HA ILE 110 -11.577 2.311 -12.305 854 HB ILE 110 HB ILE 110 -12.522 4.440 -12.906 855 HG12 ILE 110 2HG1 ILE 110 -14.161 2.216 -14.142 856 HG13 ILE 110 1HG1 ILE 110 -14.088 2.593 -12.424 857 HG21 ILE 110 1HG2 ILE 110 -13.311 4.940 -15.178 858 HG22 ILE 110 2HG2 ILE 110 -12.582 3.437 -15.746 859 HG23 ILE 110 3HG2 ILE 110 -11.561 4.725 -15.107 860 HD11 ILE 110 3HD1 ILE 110 -15.186 4.356 -14.601 861 HD12 ILE 110 1HD1 ILE 110 -15.055 4.805 -12.901 862 HD13 ILE 110 2HD1 ILE 110 -16.109 3.476 -13.382 863 H HIS 111 HN HIS 111 -12.115 0.272 -12.543 864 HA HIS 111 HA HIS 111 -12.804 -0.829 -15.105 865 HD1 HIS 111 1HD HIS 111 -8.451 -0.398 -14.604 866 HD2 HIS 111 2HD HIS 111 -10.454 -2.674 -11.745 867 HE1 HIS 111 1HE HIS 111 -6.915 -0.497 -12.612 868 HE2 HIS 111 2HE HIS 111 -8.215 -1.727 -10.845 869 HB2 HIS 111 2HB HIS 111 -11.107 -2.775 -14.702 870 HB3 HIS 111 1HB HIS 111 -10.565 -1.296 -15.479 871 HA PRO 112 HA PRO 112 -15.653 -3.080 -12.659 872 HB2 PRO 112 2HB PRO 112 -15.310 -5.257 -14.647 873 HB3 PRO 112 1HB PRO 112 -16.774 -4.400 -14.152 874 HG2 PRO 112 2HG PRO 112 -15.641 -3.915 -16.514 875 HG3 PRO 112 1HG PRO 112 -16.360 -2.608 -15.556 876 HD2 PRO 112 2HD PRO 112 -13.481 -3.331 -15.920 877 HD3 PRO 112 1HD PRO 112 -14.239 -1.727 -15.834 878 H TRP 113 HN TRP 113 -15.958 -5.098 -11.516 879 HA TRP 113 HA TRP 113 -13.784 -5.834 -9.971 880 HD1 TRP 113 1HD TRP 113 -15.593 -9.818 -9.780 881 HE1 TRP 113 1HE TRP 113 -14.571 -10.819 -7.623 882 HE3 TRP 113 3HE TRP 113 -14.373 -5.490 -7.416 883 HZ2 TRP 113 2HZ TRP 113 -13.385 -9.859 -5.236 884 HZ3 TRP 113 3HZ TRP 113 -13.293 -5.591 -5.200 885 HH2 TRP 113 2HH TRP 113 -12.809 -7.737 -4.134 886 HB2 TRP 113 2HB TRP 113 -16.129 -6.156 -9.318 887 HB3 TRP 113 1HB TRP 113 -16.285 -7.440 -10.515 888 H ALA 114 HN ALA 114 -15.345 -7.816 -12.468 889 HA ALA 114 HA ALA 114 -13.577 -9.972 -12.418 890 HB1 ALA 114 1HB ALA 114 -15.087 -8.922 -14.813 891 HB2 ALA 114 2HB ALA 114 -15.743 -10.000 -13.579 892 HB3 ALA 114 3HB ALA 114 -14.430 -10.548 -14.622 893 H GLU 115 HN GLU 115 -13.358 -6.921 -14.091 894 HA GLU 115 HA GLU 115 -11.061 -7.622 -15.663 895 HB2 GLU 115 2HB GLU 115 -12.393 -4.999 -15.017 896 HB3 GLU 115 1HB GLU 115 -10.915 -5.086 -15.967 897 HG2 GLU 115 2HG GLU 115 -13.511 -6.439 -16.667 898 HG3 GLU 115 1HG GLU 115 -12.932 -4.920 -17.351 899 H LEU 116 HN LEU 116 -11.633 -5.887 -12.656 900 HA LEU 116 HA LEU 116 -9.014 -5.105 -12.077 901 HG LEU 116 HG LEU 116 -8.764 -4.210 -9.751 902 HB2 LEU 116 2HB LEU 116 -11.098 -4.406 -10.877 903 HB3 LEU 116 1HB LEU 116 -11.157 -5.990 -10.133 904 HD11 LEU 116 1HD1 LEU 116 -10.736 -2.886 -9.165 905 HD12 LEU 116 2HD1 LEU 116 -9.811 -3.331 -7.731 906 HD13 LEU 116 3HD1 LEU 116 -11.301 -4.188 -8.120 907 HD21 LEU 116 3HD2 LEU 116 -8.568 -6.540 -9.041 908 HD22 LEU 116 1HD2 LEU 116 -10.030 -6.376 -8.068 909 HD23 LEU 116 2HD2 LEU 116 -8.585 -5.458 -7.649 910 H LEU 117 HN LEU 117 -10.754 -8.088 -11.224 911 HA LEU 117 HA LEU 117 -8.661 -9.370 -9.896 912 HG LEU 117 HG LEU 117 -11.820 -9.411 -9.676 913 HB2 LEU 117 2HB LEU 117 -10.861 -10.564 -11.578 914 HB3 LEU 117 1HB LEU 117 -9.805 -11.487 -10.529 915 HD11 LEU 117 1HD1 LEU 117 -12.793 -11.548 -10.309 916 HD12 LEU 117 2HD1 LEU 117 -12.893 -11.306 -8.565 917 HD13 LEU 117 3HD1 LEU 117 -11.676 -12.388 -9.236 918 HD21 LEU 117 3HD2 LEU 117 -11.181 -9.988 -7.382 919 HD22 LEU 117 1HD2 LEU 117 -9.830 -9.280 -8.269 920 HD23 LEU 117 2HD2 LEU 117 -9.893 -11.023 -8.001 921 H THR 118 HN THR 118 -9.539 -9.409 -13.333 922 HA THR 118 HA THR 118 -7.556 -11.199 -14.185 923 HB THR 118 HB THR 118 -8.801 -8.933 -15.757 924 HG1 THR 118 1HG THR 118 -10.480 -10.211 -15.138 925 HG21 THR 118 3HG2 THR 118 -8.297 -10.352 -17.711 926 HG22 THR 118 1HG2 THR 118 -7.459 -11.487 -16.654 927 HG23 THR 118 2HG2 THR 118 -6.835 -9.851 -16.862 928 H LEU 119 HN LEU 119 -7.540 -7.626 -14.180 929 HA LEU 119 HA LEU 119 -4.934 -7.373 -15.223 930 HG LEU 119 HG LEU 119 -7.604 -5.918 -15.714 931 HB2 LEU 119 2HB LEU 119 -6.547 -5.469 -13.529 932 HB3 LEU 119 1HB LEU 119 -5.054 -5.049 -14.346 933 HD11 LEU 119 1HD1 LEU 119 -7.750 -3.601 -16.451 934 HD12 LEU 119 2HD1 LEU 119 -6.316 -3.201 -15.508 935 HD13 LEU 119 3HD1 LEU 119 -7.795 -3.708 -14.692 936 HD21 LEU 119 3HD2 LEU 119 -5.598 -6.558 -16.954 937 HD22 LEU 119 1HD2 LEU 119 -5.005 -4.901 -16.856 938 HD23 LEU 119 2HD2 LEU 119 -6.469 -5.261 -17.770 939 H MET 120 HN MET 120 -6.148 -7.286 -11.889 940 HA MET 120 HA MET 120 -3.658 -6.789 -10.671 941 HB2 MET 120 2HB MET 120 -5.783 -6.444 -9.521 942 HB3 MET 120 1HB MET 120 -6.094 -8.173 -9.551 943 HG2 MET 120 2HG MET 120 -5.328 -7.464 -7.371 944 HG3 MET 120 1HG MET 120 -4.177 -8.564 -8.121 945 HE1 MET 120 3HE MET 120 -1.976 -6.140 -5.949 946 HE2 MET 120 1HE MET 120 -2.445 -7.816 -6.232 947 HE3 MET 120 2HE MET 120 -3.615 -6.670 -5.579 948 H ARG 121 HN ARG 121 -5.307 -9.854 -11.443 949 HA ARG 121 HA ARG 121 -3.401 -11.520 -10.226 950 HE ARG 121 HE ARG 121 -7.551 -13.850 -8.831 951 HB2 ARG 121 2HB ARG 121 -5.534 -11.890 -12.274 952 HB3 ARG 121 1HB ARG 121 -4.366 -13.168 -12.012 953 HG2 ARG 121 2HG ARG 121 -4.959 -13.195 -9.622 954 HG3 ARG 121 1HG ARG 121 -6.178 -11.959 -9.939 955 HD2 ARG 121 2HD ARG 121 -7.400 -13.447 -11.364 956 HD3 ARG 121 1HD ARG 121 -6.115 -14.651 -11.281 957 HH11 ARG 121 1HH1 ARG 121 -6.738 -16.311 -11.207 958 HH12 ARG 121 2HH1 ARG 121 -7.294 -17.625 -10.209 959 HH21 ARG 121 1HH2 ARG 121 -8.273 -15.552 -7.535 960 HH22 ARG 121 2HH2 ARG 121 -8.201 -17.190 -8.131 961 H SER 122 HN SER 122 -3.671 -10.157 -13.457 962 HA SER 122 HA SER 122 -1.461 -11.409 -14.625 963 HG SER 122 HG SER 122 -0.781 -8.688 -16.420 964 HB2 SER 122 2HB SER 122 -3.138 -10.028 -15.852 965 HB3 SER 122 1HB SER 122 -2.446 -8.584 -15.116 966 H ILE 123 HN ILE 123 -1.720 -8.563 -12.568 967 HA ILE 123 HA ILE 123 0.987 -7.757 -12.747 968 HB ILE 123 HB ILE 123 -1.093 -7.228 -10.622 969 HG12 ILE 123 2HG1 ILE 123 -0.066 -5.488 -12.876 970 HG13 ILE 123 1HG1 ILE 123 -1.601 -6.353 -12.883 971 HG21 ILE 123 1HG2 ILE 123 0.357 -5.372 -9.905 972 HG22 ILE 123 2HG2 ILE 123 1.609 -5.951 -11.006 973 HG23 ILE 123 3HG2 ILE 123 1.097 -6.953 -9.645 974 HD11 ILE 123 3HD1 ILE 123 -1.928 -4.015 -12.349 975 HD12 ILE 123 1HD1 ILE 123 -0.813 -4.150 -10.991 976 HD13 ILE 123 2HD1 ILE 123 -2.344 -5.025 -10.966 977 H VAL 124 HN VAL 124 -0.770 -9.737 -10.355 978 HA VAL 124 HA VAL 124 1.580 -10.079 -8.731 979 HB VAL 124 HB VAL 124 0.243 -11.545 -7.335 980 HG11 VAL 124 1HG1 VAL 124 -1.535 -9.963 -6.717 981 HG12 VAL 124 2HG1 VAL 124 -1.257 -9.084 -8.221 982 HG13 VAL 124 3HG1 VAL 124 0.010 -9.162 -6.997 983 HG21 VAL 124 3HG2 VAL 124 -0.992 -12.762 -9.013 984 HG22 VAL 124 1HG2 VAL 124 -1.850 -11.298 -9.485 985 HG23 VAL 124 2HG2 VAL 124 -2.123 -12.001 -7.893 986 H ASP 125 HN ASP 125 0.887 -11.358 -11.635 987 HA ASP 125 HA ASP 125 1.493 -14.093 -11.398 988 HB2 ASP 125 2HB ASP 125 0.702 -12.920 -13.491 989 HB3 ASP 125 1HB ASP 125 2.328 -12.270 -13.669 990 H THR 126 HN THR 126 3.443 -11.220 -11.429 991 HA THR 126 HA THR 126 5.526 -10.757 -10.734 992 HB THR 126 HB THR 126 5.430 -13.439 -9.351 993 HG1 THR 126 1HG THR 126 3.666 -12.313 -8.636 994 HG21 THR 126 3HG2 THR 126 7.655 -12.387 -9.390 995 HG22 THR 126 1HG2 THR 126 6.971 -12.390 -7.764 996 HG23 THR 126 2HG2 THR 126 6.963 -10.910 -8.721 997 HA PRO 127 HA PRO 127 7.894 -13.139 -13.844 998 HB2 PRO 127 2HB PRO 127 8.908 -10.893 -15.013 999 HB3 PRO 127 1HB PRO 127 7.419 -11.677 -15.549 1000 HG2 PRO 127 2HG PRO 127 7.786 -9.247 -13.863 1001 HG3 PRO 127 1HG PRO 127 6.563 -9.583 -15.102 1002 HD2 PRO 127 2HD PRO 127 6.094 -9.760 -12.412 1003 HD3 PRO 127 1HD PRO 127 5.205 -10.690 -13.631 1004 H ALA 128 HN ALA 128 9.802 -13.797 -13.086 1005 HA ALA 128 HA ALA 128 10.969 -12.803 -10.768 1006 HB1 ALA 128 1HB ALA 128 12.861 -14.268 -11.271 1007 HB2 ALA 128 2HB ALA 128 12.268 -14.466 -12.922 1008 HB3 ALA 128 3HB ALA 128 11.320 -15.076 -11.566 1009 H ALA 129 HN ALA 129 12.470 -12.657 -13.996 1010 HA ALA 129 HA ALA 129 14.095 -10.409 -13.156 1011 HB1 ALA 129 1HB ALA 129 13.936 -11.796 -15.831 1012 HB2 ALA 129 2HB ALA 129 15.086 -12.160 -14.545 1013 HB3 ALA 129 3HB ALA 129 15.137 -10.595 -15.355 1014 H GLN 130 HN GLN 130 12.534 -8.814 -12.805 1015 HA GLN 130 HA GLN 130 11.840 -7.323 -15.149 1016 HB2 GLN 130 2HB GLN 130 9.978 -8.947 -15.070 1017 HB3 GLN 130 1HB GLN 130 9.598 -8.421 -13.438 1018 HG2 GLN 130 2HG GLN 130 8.095 -7.450 -15.110 1019 HG3 GLN 130 1HG GLN 130 9.008 -6.221 -14.237 1020 HE21 GLN 130 1HE2 GLN 130 8.555 -7.837 -17.277 1021 HE22 GLN 130 2HE2 GLN 130 9.478 -6.727 -18.233 1022 H GLU 131 HN GLU 131 11.300 -5.222 -14.723 1023 HA GLU 131 HA GLU 131 11.257 -3.245 -13.666 1024 HB2 GLU 131 2HB GLU 131 9.485 -4.317 -12.253 1025 HB3 GLU 131 1HB GLU 131 10.737 -4.722 -11.087 1026 HG2 GLU 131 2HG GLU 131 9.493 -2.690 -10.483 1027 HG3 GLU 131 1HG GLU 131 11.216 -2.390 -10.719 1028 H THR 132 HN THR 132 13.379 -2.900 -14.130 1029 HA THR 132 HA THR 132 15.379 -3.506 -12.104 1030 HB THR 132 HB THR 132 15.763 -1.957 -14.672 1031 HG1 THR 132 1HG THR 132 14.913 -4.033 -15.141 1032 HG21 THR 132 3HG2 THR 132 17.687 -3.503 -12.925 1033 HG22 THR 132 1HG2 THR 132 17.579 -1.747 -13.046 1034 HG23 THR 132 2HG2 THR 132 18.097 -2.696 -14.439 1035 H VAL 133 HN VAL 133 14.930 -2.226 -10.381 1036 HA VAL 133 HA VAL 133 14.279 0.565 -10.752 1037 HB VAL 133 HB VAL 133 13.066 -0.588 -9.029 1038 HG11 VAL 133 1HG1 VAL 133 14.650 -2.352 -8.512 1039 HG12 VAL 133 2HG1 VAL 133 14.149 -1.519 -7.039 1040 HG13 VAL 133 3HG1 VAL 133 15.728 -1.183 -7.748 1041 HG21 VAL 133 3HG2 VAL 133 13.525 1.749 -8.590 1042 HG22 VAL 133 1HG2 VAL 133 15.057 1.331 -7.824 1043 HG23 VAL 133 2HG2 VAL 133 13.538 0.842 -7.079 1044 H GLN 134 HN GLN 134 15.710 2.101 -10.904 1045 HA GLN 134 HA GLN 134 18.449 1.677 -9.946 1046 HB2 GLN 134 2HB GLN 134 18.184 2.461 -12.259 1047 HB3 GLN 134 1HB GLN 134 17.257 3.844 -11.695 1048 HG2 GLN 134 2HG GLN 134 19.228 4.679 -10.508 1049 HG3 GLN 134 1HG GLN 134 20.159 3.299 -11.092 1050 HE21 GLN 134 1HE2 GLN 134 20.552 6.170 -11.520 1051 HE22 GLN 134 2HE2 GLN 134 20.544 6.404 -13.237 1052 H LEU 135 HN LEU 135 18.948 2.415 -8.001 1053 HA LEU 135 HA LEU 135 17.220 3.840 -6.342 1054 HG LEU 135 HG LEU 135 19.213 1.423 -6.121 1055 HB2 LEU 135 2HB LEU 135 20.231 3.664 -6.194 1056 HB3 LEU 135 1HB LEU 135 19.184 4.181 -4.887 1057 HD11 LEU 135 1HD1 LEU 135 21.210 1.852 -4.814 1058 HD12 LEU 135 2HD1 LEU 135 20.146 0.728 -3.963 1059 HD13 LEU 135 3HD1 LEU 135 20.227 2.418 -3.463 1060 HD21 LEU 135 3HD2 LEU 135 17.743 0.833 -4.241 1061 HD22 LEU 135 1HD2 LEU 135 17.000 2.008 -5.327 1062 HD23 LEU 135 2HD2 LEU 135 17.669 2.534 -3.782 1063 H GLU 136 HN GLU 136 16.821 5.932 -5.986 1064 HA GLU 136 HA GLU 136 17.518 7.897 -7.851 1065 HB2 GLU 136 2HB GLU 136 16.420 8.152 -5.050 1066 HB3 GLU 136 1HB GLU 136 16.638 9.523 -6.125 1067 HG2 GLU 136 2HG GLU 136 14.380 8.941 -6.287 1068 HG3 GLU 136 1HG GLU 136 15.134 8.329 -7.756 1069 H HIS 137 HN HIS 137 18.773 9.785 -7.625 1070 HA HIS 137 HA HIS 137 21.316 9.374 -6.411 1071 HD1 HIS 137 1HD HIS 137 23.552 10.291 -7.825 1072 HD2 HIS 137 2HD HIS 137 21.810 13.831 -6.500 1073 HE1 HIS 137 1HE HIS 137 25.466 11.818 -7.241 1074 HE2 HIS 137 2HE HIS 137 24.387 13.998 -6.593 1075 HB2 HIS 137 2HB HIS 137 20.951 10.707 -8.487 1076 HB3 HIS 137 1HB HIS 137 20.139 11.934 -7.520 1077 H HIS 138 HN HIS 138 21.840 9.702 -4.355 1078 HA HIS 138 HA HIS 138 19.922 10.413 -2.443 1079 HD1 HIS 138 1HD HIS 138 23.183 11.449 0.231 1080 HD2 HIS 138 2HD HIS 138 19.919 8.880 0.048 1081 HE1 HIS 138 1HE HIS 138 22.323 11.279 2.586 1082 HE2 HIS 138 2HE HIS 138 20.353 9.712 2.466 1083 HB2 HIS 138 2HB HIS 138 21.959 8.964 -2.091 1084 HB3 HIS 138 1HB HIS 138 22.914 10.438 -2.024 1085 H HIS 139 HN HIS 139 19.037 12.376 -2.425 1086 HA HIS 139 HA HIS 139 20.829 14.656 -1.975 1087 HD1 HIS 139 1HD HIS 139 16.941 16.379 -2.781 1088 HD2 HIS 139 2HD HIS 139 17.832 13.064 -5.133 1089 HE1 HIS 139 1HE HIS 139 14.738 15.566 -3.670 1090 HE2 HIS 139 2HE HIS 139 15.315 13.682 -5.237 1091 HB2 HIS 139 2HB HIS 139 19.452 16.120 -3.324 1092 HB3 HIS 139 1HB HIS 139 19.939 14.748 -4.308 1093 H HIS 140 HN HIS 140 19.492 16.561 -1.028 1094 HA HIS 140 HA HIS 140 18.052 15.449 1.246 1095 HD1 HIS 140 1HD HIS 140 21.260 18.779 1.184 1096 HD2 HIS 140 2HD HIS 140 19.939 15.283 3.010 1097 HE1 HIS 140 1HE HIS 140 23.276 17.811 2.338 1098 HE2 HIS 140 2HE HIS 140 22.498 15.583 3.215 1099 HB2 HIS 140 2HB HIS 140 18.908 18.291 0.648 1100 HB3 HIS 140 1HB HIS 140 18.147 17.760 2.143 1101 H HIS 141 HN HIS 141 16.055 16.366 1.993 1102 HA HIS 141 HA HIS 141 14.503 17.997 0.168 1103 HD1 HIS 141 1HD HIS 141 11.172 16.288 1.816 1104 HD2 HIS 141 2HD HIS 141 12.223 17.160 -2.111 1105 HE1 HIS 141 1HE HIS 141 9.084 17.191 0.743 1106 HE2 HIS 141 2HE HIS 141 9.735 17.701 -1.643 1107 HB2 HIS 141 2HB HIS 141 14.003 15.669 -0.571 1108 HB3 HIS 141 1HB HIS 141 13.463 15.293 1.062 1109 H HIS 142 HN HIS 142 13.469 19.460 1.329 1110 HA HIS 142 HA HIS 142 12.602 18.811 4.039 1111 HD1 HIS 142 1HD HIS 142 13.801 23.192 4.393 1112 HD2 HIS 142 2HD HIS 142 15.708 20.739 1.623 1113 HE1 HIS 142 1HE HIS 142 14.910 24.747 2.751 1114 HE2 HIS 142 2HE HIS 142 15.850 23.235 0.962 1115 HB2 HIS 142 2HB HIS 142 13.630 20.809 5.001 1116 HB3 HIS 142 1HB HIS 142 14.865 19.759 4.319 Start of MODEL 5 1 HA MET 1 HA MET 1 1.306 16.631 7.919 2 H1 MET 1 1HT MET 1 0.041 18.275 6.761 3 H2 MET 1 2HT MET 1 -0.083 19.230 8.154 4 H3 MET 1 3HT MET 1 -0.843 17.716 8.096 5 HB2 MET 1 2HB MET 1 2.554 18.444 6.881 6 HB3 MET 1 1HB MET 1 2.352 19.442 8.313 7 HG2 MET 1 2HG MET 1 3.675 17.821 9.605 8 HG3 MET 1 1HG MET 1 3.916 16.875 8.136 9 HE1 MET 1 3HE MET 1 6.541 16.968 8.589 10 HE2 MET 1 1HE MET 1 6.277 17.951 10.029 11 HE3 MET 1 2HE MET 1 7.442 18.468 8.809 12 H ALA 2 HN ALA 2 0.364 15.662 9.675 13 HA ALA 2 HA ALA 2 1.060 16.866 12.278 14 HB1 ALA 2 1HB ALA 2 -1.060 14.799 11.685 15 HB2 ALA 2 2HB ALA 2 -1.350 16.506 12.021 16 HB3 ALA 2 3HB ALA 2 -0.676 15.463 13.273 17 H ASN 3 HN ASN 3 0.582 13.715 10.719 18 HA ASN 3 HA ASN 3 1.843 11.863 10.557 19 HB2 ASN 3 2HB ASN 3 4.059 13.677 11.513 20 HB3 ASN 3 1HB ASN 3 4.301 12.023 10.956 21 HD21 ASN 3 1HD2 ASN 3 3.918 11.532 8.778 22 HD22 ASN 3 2HD2 ASN 3 3.899 12.754 7.556 23 H ASP 4 HN ASP 4 0.994 10.486 11.878 24 HA ASP 4 HA ASP 4 0.819 9.018 13.582 25 HB2 ASP 4 2HB ASP 4 3.380 9.275 13.635 26 HB3 ASP 4 1HB ASP 4 3.119 10.332 15.019 27 H THR 5 HN THR 5 0.930 9.273 16.318 28 HA THR 5 HA THR 5 -0.545 9.848 17.952 29 HB THR 5 HB THR 5 -0.416 12.668 16.875 30 HG1 THR 5 1HG THR 5 1.561 11.081 18.048 31 HG21 THR 5 3HG2 THR 5 -0.647 13.260 19.252 32 HG22 THR 5 1HG2 THR 5 -0.727 11.547 19.667 33 HG23 THR 5 2HG2 THR 5 -2.005 12.280 18.696 34 HA PRO 6 HA PRO 6 -3.925 9.759 14.694 35 HB2 PRO 6 2HB PRO 6 -4.753 7.392 16.252 36 HB3 PRO 6 1HB PRO 6 -4.536 7.572 14.507 37 HG2 PRO 6 2HG PRO 6 -2.799 6.174 15.991 38 HG3 PRO 6 1HG PRO 6 -2.261 7.155 14.616 39 HD2 PRO 6 2HD PRO 6 -2.127 7.756 17.544 40 HD3 PRO 6 1HD PRO 6 -0.924 8.061 16.274 41 H PHE 7 HN PHE 7 -4.949 11.569 15.518 42 HA PHE 7 HA PHE 7 -6.530 11.343 17.939 43 HD1 PHE 7 2HD PHE 7 -4.060 13.628 15.538 44 HD2 PHE 7 1HD PHE 7 -8.266 14.247 15.338 45 HE1 PHE 7 2HE PHE 7 -3.795 14.669 13.325 46 HE2 PHE 7 1HE PHE 7 -8.008 15.291 13.126 47 HZ PHE 7 HZ PHE 7 -5.771 15.503 12.116 48 HB2 PHE 7 2HB PHE 7 -7.205 13.683 17.416 49 HB3 PHE 7 1HB PHE 7 -5.463 13.474 17.528 50 H SER 8 HN SER 8 -6.889 10.762 14.615 51 HA SER 8 HA SER 8 -9.763 11.109 14.593 52 HG SER 8 HG SER 8 -7.246 10.319 11.515 53 HB2 SER 8 2HB SER 8 -9.340 10.056 12.214 54 HB3 SER 8 1HB SER 8 -8.885 11.728 12.544 55 H ALA 9 HN ALA 9 -11.106 9.599 15.244 56 HA ALA 9 HA ALA 9 -10.231 7.019 16.063 57 HB1 ALA 9 1HB ALA 9 -13.030 8.082 15.702 58 HB2 ALA 9 2HB ALA 9 -12.060 8.192 17.170 59 HB3 ALA 9 3HB ALA 9 -12.588 6.616 16.577 60 H LEU 10 HN LEU 10 -11.824 8.258 13.204 61 HA LEU 10 HA LEU 10 -12.609 5.804 12.067 62 HG LEU 10 HG LEU 10 -14.593 7.110 11.375 63 HB2 LEU 10 2HB LEU 10 -11.961 8.469 10.815 64 HB3 LEU 10 1HB LEU 10 -12.539 7.102 9.887 65 HD11 LEU 10 1HD1 LEU 10 -13.718 8.430 13.217 66 HD12 LEU 10 2HD1 LEU 10 -15.127 9.214 12.503 67 HD13 LEU 10 3HD1 LEU 10 -13.509 9.815 12.145 68 HD21 LEU 10 3HD2 LEU 10 -14.611 7.941 9.090 69 HD22 LEU 10 1HD2 LEU 10 -14.057 9.519 9.647 70 HD23 LEU 10 2HD2 LEU 10 -15.647 8.924 10.124 71 H TRP 11 HN TRP 11 -9.573 7.448 12.218 72 HA TRP 11 HA TRP 11 -8.308 5.936 10.117 73 HD1 TRP 11 1HD TRP 11 -5.132 6.496 12.969 74 HE1 TRP 11 1HE TRP 11 -2.883 6.118 11.802 75 HE3 TRP 11 3HE TRP 11 -6.464 7.807 8.209 76 HZ2 TRP 11 2HZ TRP 11 -1.797 6.351 9.194 77 HZ3 TRP 11 3HZ TRP 11 -4.759 7.702 6.438 78 HH2 TRP 11 2HH TRP 11 -2.474 6.988 6.923 79 HB2 TRP 11 2HB TRP 11 -7.518 8.161 10.504 80 HB3 TRP 11 1HB TRP 11 -7.306 7.859 12.221 81 H GLN 12 HN GLN 12 -8.211 6.023 13.633 82 HA GLN 12 HA GLN 12 -6.321 4.168 14.250 83 HB2 GLN 12 2HB GLN 12 -7.522 5.523 15.886 84 HB3 GLN 12 1HB GLN 12 -8.974 4.564 15.629 85 HG2 GLN 12 2HG GLN 12 -7.694 2.569 16.419 86 HG3 GLN 12 1HG GLN 12 -6.378 3.663 16.845 87 HE21 GLN 12 1HE2 GLN 12 -6.540 3.115 19.016 88 HE22 GLN 12 2HE2 GLN 12 -7.836 3.679 20.013 89 H ARG 13 HN ARG 13 -9.615 3.441 13.131 90 HA ARG 13 HA ARG 13 -9.615 0.736 13.925 91 HE ARG 13 HE ARG 13 -13.641 2.452 12.290 92 HB2 ARG 13 2HB ARG 13 -11.440 0.398 12.320 93 HB3 ARG 13 1HB ARG 13 -11.691 1.819 13.319 94 HG2 ARG 13 2HG ARG 13 -11.317 3.278 11.563 95 HG3 ARG 13 1HG ARG 13 -10.450 2.070 10.615 96 HD2 ARG 13 2HD ARG 13 -12.712 2.562 9.741 97 HD3 ARG 13 1HD ARG 13 -12.485 0.870 10.182 98 HH11 ARG 13 1HH1 ARG 13 -14.340 0.650 9.362 99 HH12 ARG 13 2HH1 ARG 13 -15.977 0.283 9.819 100 HH21 ARG 13 1HH2 ARG 13 -15.813 1.964 12.895 101 HH22 ARG 13 2HH2 ARG 13 -16.811 1.052 11.806 102 H LEU 14 HN LEU 14 -8.210 2.317 11.134 103 HA LEU 14 HA LEU 14 -7.804 -0.096 9.647 104 HG LEU 14 HG LEU 14 -7.638 2.572 7.139 105 HB2 LEU 14 2HB LEU 14 -6.516 2.625 9.434 106 HB3 LEU 14 1HB LEU 14 -6.129 1.296 8.362 107 HD11 LEU 14 1HD1 LEU 14 -9.266 0.444 8.513 108 HD12 LEU 14 2HD1 LEU 14 -8.269 0.251 7.071 109 HD13 LEU 14 3HD1 LEU 14 -9.714 1.258 7.015 110 HD21 LEU 14 3HD2 LEU 14 -8.328 4.069 8.929 111 HD22 LEU 14 1HD2 LEU 14 -9.371 2.809 9.589 112 HD23 LEU 14 2HD2 LEU 14 -9.714 3.499 8.002 113 H LEU 15 HN LEU 15 -6.060 1.660 12.093 114 HA LEU 15 HA LEU 15 -3.576 0.318 11.873 115 HG LEU 15 HG LEU 15 -4.844 3.215 12.666 116 HB2 LEU 15 2HB LEU 15 -4.817 1.463 14.377 117 HB3 LEU 15 1HB LEU 15 -3.110 1.187 14.079 118 HD11 LEU 15 1HD1 LEU 15 -4.367 3.817 14.974 119 HD12 LEU 15 2HD1 LEU 15 -3.486 4.857 13.855 120 HD13 LEU 15 3HD1 LEU 15 -2.645 3.556 14.697 121 HD21 LEU 15 3HD2 LEU 15 -3.091 2.297 11.218 122 HD22 LEU 15 1HD2 LEU 15 -1.882 2.702 12.435 123 HD23 LEU 15 2HD2 LEU 15 -2.786 3.984 11.630 124 H THR 16 HN THR 16 -6.541 -0.296 13.659 125 HA THR 16 HA THR 16 -5.659 -2.573 15.086 126 HB THR 16 HB THR 16 -8.481 -1.919 14.208 127 HG1 THR 16 1HG THR 16 -8.523 -0.457 15.775 128 HG21 THR 16 3HG2 THR 16 -8.185 -4.185 15.121 129 HG22 THR 16 1HG2 THR 16 -9.143 -3.168 16.198 130 HG23 THR 16 2HG2 THR 16 -7.451 -3.497 16.570 131 H ARG 17 HN ARG 17 -6.769 -2.083 11.838 132 HA ARG 17 HA ARG 17 -7.372 -4.834 11.297 133 HE ARG 17 HE ARG 17 -10.266 -3.590 8.951 134 HB2 ARG 17 2HB ARG 17 -8.407 -2.901 10.094 135 HB3 ARG 17 1HB ARG 17 -6.851 -2.588 9.338 136 HG2 ARG 17 2HG ARG 17 -6.925 -4.694 8.184 137 HG3 ARG 17 1HG ARG 17 -8.390 -5.161 9.052 138 HD2 ARG 17 2HD ARG 17 -8.155 -2.813 7.169 139 HD3 ARG 17 1HD ARG 17 -8.854 -4.379 6.758 140 HH11 ARG 17 1HH1 ARG 17 -9.598 -2.144 5.834 141 HH12 ARG 17 2HH1 ARG 17 -11.082 -1.254 5.780 142 HH21 ARG 17 1HH2 ARG 17 -12.217 -2.447 8.894 143 HH22 ARG 17 2HH2 ARG 17 -12.586 -1.415 7.541 144 H GLY 18 HN GLY 18 -4.526 -2.999 11.534 145 HA2 GLY 18 2HA GLY 18 -2.432 -4.179 11.666 146 HA3 GLY 18 1HA GLY 18 -3.016 -5.271 10.420 147 H TRP 19 HN TRP 19 -3.494 -1.845 10.113 148 HA TRP 19 HA TRP 19 -1.648 -1.860 7.841 149 HD1 TRP 19 1HD TRP 19 -3.658 -3.330 7.645 150 HE1 TRP 19 1HE TRP 19 -5.558 -4.037 6.068 151 HE3 TRP 19 3HE TRP 19 -5.209 1.294 6.125 152 HZ2 TRP 19 2HZ TRP 19 -7.470 -2.799 4.401 153 HZ3 TRP 19 3HZ TRP 19 -7.078 1.445 4.537 154 HH2 TRP 19 2HH TRP 19 -8.182 -0.559 3.690 155 HB2 TRP 19 2HB TRP 19 -3.840 0.086 8.585 156 HB3 TRP 19 1HB TRP 19 -2.812 0.230 7.165 157 H GLN 20 HN GLN 20 0.179 -0.697 7.828 158 HA GLN 20 HA GLN 20 0.816 0.840 10.241 159 HB2 GLN 20 2HB GLN 20 2.352 -0.830 8.362 160 HB3 GLN 20 1HB GLN 20 3.169 0.621 8.909 161 HG2 GLN 20 2HG GLN 20 3.764 -1.255 10.300 162 HG3 GLN 20 1HG GLN 20 2.847 -0.073 11.231 163 HE21 GLN 20 1HE2 GLN 20 0.844 -0.604 12.009 164 HE22 GLN 20 2HE2 GLN 20 0.219 -2.215 11.976 165 HA PRO 21 HA PRO 21 0.780 4.545 7.672 166 HB2 PRO 21 2HB PRO 21 1.446 5.956 10.125 167 HB3 PRO 21 1HB PRO 21 -0.033 6.042 9.169 168 HG2 PRO 21 2HG PRO 21 0.083 4.928 11.649 169 HG3 PRO 21 1HG PRO 21 -1.082 4.429 10.408 170 HD2 PRO 21 2HD PRO 21 1.482 3.124 11.244 171 HD3 PRO 21 1HD PRO 21 -0.076 2.381 10.822 172 H VAL 22 HN VAL 22 2.558 4.855 6.480 173 HA VAL 22 HA VAL 22 5.167 4.904 7.859 174 HB VAL 22 HB VAL 22 6.148 4.070 5.727 175 HG11 VAL 22 1HG1 VAL 22 5.395 1.748 5.996 176 HG12 VAL 22 2HG1 VAL 22 4.040 2.310 6.973 177 HG13 VAL 22 3HG1 VAL 22 5.693 2.526 7.550 178 HG21 VAL 22 3HG2 VAL 22 3.263 3.662 4.938 179 HG22 VAL 22 1HG2 VAL 22 4.665 3.058 4.055 180 HG23 VAL 22 2HG2 VAL 22 4.391 4.795 4.196 181 H GLU 23 HN GLU 23 6.891 5.899 6.341 182 HA GLU 23 HA GLU 23 5.880 8.492 5.368 183 HB2 GLU 23 2HB GLU 23 8.652 7.787 6.361 184 HB3 GLU 23 1HB GLU 23 8.119 9.375 5.834 185 HG2 GLU 23 2HG GLU 23 6.624 9.553 7.706 186 HG3 GLU 23 1HG GLU 23 6.993 7.898 8.203 187 H ALA 24 HN ALA 24 7.338 9.431 3.599 188 HA ALA 24 HA ALA 24 7.438 7.573 1.441 189 HB1 ALA 24 1HB ALA 24 8.609 10.348 1.598 190 HB2 ALA 24 2HB ALA 24 6.956 9.962 1.120 191 HB3 ALA 24 3HB ALA 24 8.311 9.423 0.127 192 H SER 25 HN SER 25 9.676 8.576 3.834 193 HA SER 25 HA SER 25 12.039 7.708 2.453 194 HG SER 25 HG SER 25 11.519 9.371 6.096 195 HB2 SER 25 2HB SER 25 13.018 8.001 4.808 196 HB3 SER 25 1HB SER 25 12.343 9.442 4.042 197 H THR 26 HN THR 26 10.366 6.564 5.386 198 HA THR 26 HA THR 26 11.960 4.214 5.518 199 HB THR 26 HB THR 26 11.054 5.357 7.526 200 HG1 THR 26 1HG THR 26 11.680 3.319 7.973 201 HG21 THR 26 3HG2 THR 26 8.805 5.864 6.693 202 HG22 THR 26 1HG2 THR 26 8.736 4.949 8.201 203 HG23 THR 26 2HG2 THR 26 8.426 4.142 6.663 204 H VAL 27 HN VAL 27 9.035 4.919 3.828 205 HA VAL 27 HA VAL 27 7.858 2.357 3.832 206 HB VAL 27 HB VAL 27 6.729 4.426 2.992 207 HG11 VAL 27 1HG1 VAL 27 8.478 5.377 1.637 208 HG12 VAL 27 2HG1 VAL 27 7.068 5.055 0.627 209 HG13 VAL 27 3HG1 VAL 27 8.461 3.976 0.567 210 HG21 VAL 27 3HG2 VAL 27 5.751 2.258 2.568 211 HG22 VAL 27 1HG2 VAL 27 6.760 2.049 1.136 212 HG23 VAL 27 2HG2 VAL 27 5.517 3.297 1.163 213 H ASP 28 HN ASP 28 10.502 3.729 2.028 214 HA ASP 28 HA ASP 28 10.801 1.797 0.016 215 HB2 ASP 28 2HB ASP 28 11.996 3.930 -0.001 216 HB3 ASP 28 1HB ASP 28 12.882 3.472 1.449 217 H ASP 29 HN ASP 29 12.249 2.046 3.229 218 HA ASP 29 HA ASP 29 13.628 -0.440 3.110 219 HB2 ASP 29 2HB ASP 29 14.331 1.389 4.598 220 HB3 ASP 29 1HB ASP 29 12.834 1.233 5.506 221 H TRP 30 HN TRP 30 10.516 0.620 4.324 222 HA TRP 30 HA TRP 30 9.738 -1.677 5.708 223 HD1 TRP 30 1HD TRP 30 7.467 -0.904 7.750 224 HE1 TRP 30 1HE TRP 30 5.279 -2.245 7.942 225 HE3 TRP 30 3HE TRP 30 6.319 -1.314 2.782 226 HZ2 TRP 30 2HZ TRP 30 3.326 -3.327 6.223 227 HZ3 TRP 30 3HZ TRP 30 4.272 -2.517 2.143 228 HH2 TRP 30 2HH TRP 30 2.808 -3.503 3.828 229 HB2 TRP 30 2HB TRP 30 8.526 0.504 5.731 230 HB3 TRP 30 1HB TRP 30 7.943 0.161 4.107 231 H ILE 31 HN ILE 31 9.169 -0.808 2.298 232 HA ILE 31 HA ILE 31 7.828 -3.162 1.561 233 HB ILE 31 HB ILE 31 9.547 -1.338 -0.129 234 HG12 ILE 31 2HG1 ILE 31 6.540 -1.454 0.186 235 HG13 ILE 31 1HG1 ILE 31 7.583 -0.290 0.996 236 HG21 ILE 31 1HG2 ILE 31 8.320 -2.281 -2.051 237 HG22 ILE 31 2HG2 ILE 31 7.570 -3.454 -0.970 238 HG23 ILE 31 3HG2 ILE 31 9.313 -3.483 -1.227 239 HD11 ILE 31 3HD1 ILE 31 8.259 0.617 -1.155 240 HD12 ILE 31 1HD1 ILE 31 6.507 0.672 -0.960 241 HD13 ILE 31 2HD1 ILE 31 7.243 -0.564 -1.982 242 H LYS 32 HN LYS 32 11.258 -2.349 1.609 243 HA LYS 32 HA LYS 32 12.143 -4.802 0.473 244 HB2 LYS 32 2HB LYS 32 13.782 -3.258 0.204 245 HB3 LYS 32 1HB LYS 32 13.356 -2.391 1.665 246 HG2 LYS 32 2HG LYS 32 14.739 -5.024 1.889 247 HG3 LYS 32 1HG LYS 32 15.658 -3.587 1.445 248 HD2 LYS 32 2HD LYS 32 14.713 -2.454 3.459 249 HD3 LYS 32 1HD LYS 32 14.016 -4.004 3.926 250 HE2 LYS 32 2HE LYS 32 16.236 -4.992 4.019 251 HE3 LYS 32 1HE LYS 32 16.950 -3.460 3.508 252 HZ1 LYS 32 3HZ LYS 32 15.573 -4.073 6.060 253 HZ2 LYS 32 1HZ LYS 32 15.856 -2.478 5.544 254 HZ3 LYS 32 2HZ LYS 32 17.159 -3.523 5.828 255 H ARG 33 HN ARG 33 11.176 -3.847 3.632 256 HA ARG 33 HA ARG 33 12.537 -5.937 5.057 257 HE ARG 33 HE ARG 33 10.901 -6.196 9.948 258 HB2 ARG 33 2HB ARG 33 11.651 -3.644 5.920 259 HB3 ARG 33 1HB ARG 33 10.108 -4.464 6.048 260 HG2 ARG 33 2HG ARG 33 12.615 -5.401 7.415 261 HG3 ARG 33 1HG ARG 33 11.421 -4.344 8.163 262 HD2 ARG 33 2HD ARG 33 9.711 -6.094 7.828 263 HD3 ARG 33 1HD ARG 33 10.953 -7.148 7.153 264 HH11 ARG 33 1HH1 ARG 33 11.772 -8.577 7.536 265 HH12 ARG 33 2HH1 ARG 33 12.414 -9.707 8.690 266 HH21 ARG 33 1HH2 ARG 33 11.760 -7.660 11.476 267 HH22 ARG 33 2HH2 ARG 33 12.407 -9.183 10.937 268 H VAL 34 HN VAL 34 9.270 -5.366 3.852 269 HA VAL 34 HA VAL 34 8.348 -7.929 4.839 270 HB VAL 34 HB VAL 34 6.159 -7.276 3.841 271 HG11 VAL 34 1HG1 VAL 34 7.456 -5.258 5.668 272 HG12 VAL 34 2HG1 VAL 34 6.663 -6.756 6.155 273 HG13 VAL 34 3HG1 VAL 34 5.719 -5.454 5.434 274 HG21 VAL 34 3HG2 VAL 34 5.853 -4.981 3.055 275 HG22 VAL 34 1HG2 VAL 34 6.971 -5.867 2.017 276 HG23 VAL 34 2HG2 VAL 34 7.590 -4.702 3.187 277 H GLY 35 HN GLY 35 8.904 -6.423 1.647 278 HA2 GLY 35 2HA GLY 35 9.574 -7.514 -0.294 279 HA3 GLY 35 1HA GLY 35 9.345 -9.055 0.517 280 H ASP 36 HN ASP 36 6.578 -7.903 1.294 281 HA ASP 36 HA ASP 36 5.199 -8.235 -1.268 282 HB2 ASP 36 2HB ASP 36 5.456 -10.483 -0.129 283 HB3 ASP 36 1HB ASP 36 4.504 -9.853 1.195 284 H GLY 37 HN GLY 37 3.007 -7.447 -1.219 285 HA2 GLY 37 2HA GLY 37 1.196 -6.894 0.469 286 HA3 GLY 37 1HA GLY 37 2.408 -5.859 1.203 287 H VAL 38 HN VAL 38 0.414 -4.450 0.820 288 HA VAL 38 HA VAL 38 0.777 -3.061 -1.744 289 HB VAL 38 HB VAL 38 -1.658 -2.534 -1.768 290 HG11 VAL 38 1HG1 VAL 38 -2.380 -4.730 -2.607 291 HG12 VAL 38 2HG1 VAL 38 -0.944 -5.462 -1.893 292 HG13 VAL 38 3HG1 VAL 38 -0.779 -4.285 -3.195 293 HG21 VAL 38 3HG2 VAL 38 -3.182 -3.935 -0.440 294 HG22 VAL 38 1HG2 VAL 38 -2.171 -2.906 0.577 295 HG23 VAL 38 2HG2 VAL 38 -1.796 -4.622 0.408 296 H ILE 39 HN ILE 39 0.652 -0.858 -1.698 297 HA ILE 39 HA ILE 39 0.471 0.382 0.970 298 HB ILE 39 HB ILE 39 2.036 1.229 -1.475 299 HG12 ILE 39 2HG1 ILE 39 3.907 1.302 0.256 300 HG13 ILE 39 1HG1 ILE 39 2.796 0.498 1.357 301 HG21 ILE 39 1HG2 ILE 39 2.693 3.245 -0.231 302 HG22 ILE 39 2HG2 ILE 39 1.528 2.831 1.025 303 HG23 ILE 39 3HG2 ILE 39 0.970 3.216 -0.604 304 HD11 ILE 39 3HD1 ILE 39 2.654 -1.393 -0.200 305 HD12 ILE 39 1HD1 ILE 39 4.299 -1.097 0.362 306 HD13 ILE 39 2HD1 ILE 39 3.815 -0.588 -1.256 307 H LEU 40 HN LEU 40 -1.051 1.895 1.325 308 HA LEU 40 HA LEU 40 -2.768 2.617 -0.953 309 HG LEU 40 HG LEU 40 -3.414 0.267 1.009 310 HB2 LEU 40 2HB LEU 40 -3.395 2.503 1.998 311 HB3 LEU 40 1HB LEU 40 -4.507 3.070 0.770 312 HD11 LEU 40 1HD1 LEU 40 -6.159 1.401 1.509 313 HD12 LEU 40 2HD1 LEU 40 -5.050 0.766 2.721 314 HD13 LEU 40 3HD1 LEU 40 -5.747 -0.314 1.514 315 HD21 LEU 40 3HD2 LEU 40 -5.398 1.424 -0.943 316 HD22 LEU 40 1HD2 LEU 40 -4.954 -0.277 -0.805 317 HD23 LEU 40 2HD2 LEU 40 -3.755 0.909 -1.321 318 H LEU 41 HN LEU 41 -3.044 4.684 -1.498 319 HA LEU 41 HA LEU 41 -1.612 6.720 0.028 320 HG LEU 41 HG LEU 41 -1.043 5.482 -2.854 321 HB2 LEU 41 2HB LEU 41 -3.012 6.928 -2.634 322 HB3 LEU 41 1HB LEU 41 -2.027 8.173 -1.897 323 HD11 LEU 41 1HD1 LEU 41 -0.594 8.256 -3.952 324 HD12 LEU 41 2HD1 LEU 41 -1.619 7.016 -4.671 325 HD13 LEU 41 3HD1 LEU 41 0.123 6.765 -4.565 326 HD21 LEU 41 3HD2 LEU 41 0.474 7.819 -1.696 327 HD22 LEU 41 1HD2 LEU 41 1.183 6.343 -2.348 328 HD23 LEU 41 2HD2 LEU 41 0.187 6.275 -0.894 329 H SER 42 HN SER 42 -2.618 8.700 0.633 330 HA SER 42 HA SER 42 -5.264 8.343 1.676 331 HG SER 42 HG SER 42 -4.935 10.512 3.894 332 HB2 SER 42 2HB SER 42 -3.399 9.597 2.833 333 HB3 SER 42 1HB SER 42 -3.618 10.883 1.648 334 H SER 43 HN SER 43 -7.061 9.767 1.249 335 HA SER 43 HA SER 43 -7.352 10.149 -1.598 336 HG SER 43 HG SER 43 -10.387 9.625 -1.713 337 HB2 SER 43 2HB SER 43 -9.103 9.046 -0.169 338 HB3 SER 43 1HB SER 43 -9.414 10.619 0.565 339 H ASP 44 HN ASP 44 -6.033 11.934 -1.996 340 HA ASP 44 HA ASP 44 -7.458 14.446 -1.544 341 HB2 ASP 44 2HB ASP 44 -5.590 14.343 0.131 342 HB3 ASP 44 1HB ASP 44 -4.452 14.244 -1.209 343 HA PRO 45 HA PRO 45 -6.172 14.070 -5.892 344 HB2 PRO 45 2HB PRO 45 -8.678 14.000 -6.938 345 HB3 PRO 45 1HB PRO 45 -7.855 12.573 -6.306 346 HG2 PRO 45 2HG PRO 45 -10.158 13.986 -5.230 347 HG3 PRO 45 1HG PRO 45 -9.492 12.417 -4.753 348 HD2 PRO 45 2HD PRO 45 -9.115 15.046 -3.516 349 HD3 PRO 45 1HD PRO 45 -8.754 13.434 -2.864 350 H ARG 46 HN ARG 46 -7.327 15.340 -7.882 351 HA ARG 46 HA ARG 46 -7.409 18.139 -7.090 352 HE ARG 46 HE ARG 46 -5.012 18.301 -10.849 353 HB2 ARG 46 2HB ARG 46 -6.063 17.621 -9.038 354 HB3 ARG 46 1HB ARG 46 -7.427 16.828 -9.816 355 HG2 ARG 46 2HG ARG 46 -8.612 18.984 -9.883 356 HG3 ARG 46 1HG ARG 46 -7.197 19.762 -9.171 357 HD2 ARG 46 2HD ARG 46 -7.246 18.277 -11.795 358 HD3 ARG 46 1HD ARG 46 -7.281 20.030 -11.611 359 HH11 ARG 46 1HH1 ARG 46 -6.324 21.377 -11.862 360 HH12 ARG 46 2HH1 ARG 46 -4.771 22.136 -12.037 361 HH21 ARG 46 1HH2 ARG 46 -2.970 19.268 -11.096 362 HH22 ARG 46 2HH2 ARG 46 -2.853 20.919 -11.614 363 H ARG 47 HN ARG 47 -9.327 16.395 -9.533 364 HA ARG 47 HA ARG 47 -11.708 17.783 -8.660 365 HE ARG 47 HE ARG 47 -13.674 14.773 -11.890 366 HB2 ARG 47 2HB ARG 47 -12.845 16.582 -10.475 367 HB3 ARG 47 1HB ARG 47 -11.403 17.406 -11.048 368 HG2 ARG 47 2HG ARG 47 -10.189 15.269 -10.989 369 HG3 ARG 47 1HG ARG 47 -11.675 14.463 -10.476 370 HD2 ARG 47 2HD ARG 47 -11.296 15.990 -13.050 371 HD3 ARG 47 1HD ARG 47 -11.297 14.235 -12.890 372 HH11 ARG 47 1HH1 ARG 47 -12.120 16.138 -14.710 373 HH12 ARG 47 2HH1 ARG 47 -13.612 16.443 -15.547 374 HH21 ARG 47 1HH2 ARG 47 -15.634 15.140 -12.979 375 HH22 ARG 47 2HH2 ARG 47 -15.624 15.876 -14.561 376 H THR 48 HN THR 48 -13.727 16.455 -8.245 377 HA THR 48 HA THR 48 -14.778 15.301 -6.590 378 HB THR 48 HB THR 48 -12.549 13.256 -6.710 379 HG1 THR 48 1HG THR 48 -14.834 13.551 -8.413 380 HG21 THR 48 3HG2 THR 48 -15.497 13.020 -6.068 381 HG22 THR 48 1HG2 THR 48 -14.182 13.015 -4.894 382 HG23 THR 48 2HG2 THR 48 -14.324 11.701 -6.061 383 HA PRO 49 HA PRO 49 -11.522 17.204 -3.861 384 HB2 PRO 49 2HB PRO 49 -13.075 19.124 -2.757 385 HB3 PRO 49 1HB PRO 49 -12.300 19.315 -4.335 386 HG2 PRO 49 2HG PRO 49 -15.123 18.550 -3.692 387 HG3 PRO 49 1HG PRO 49 -14.521 19.681 -4.920 388 HD2 PRO 49 2HD PRO 49 -15.276 17.142 -5.501 389 HD3 PRO 49 1HD PRO 49 -14.001 17.993 -6.396 390 H GLU 50 HN GLU 50 -11.052 16.560 -1.888 391 HA GLU 50 HA GLU 50 -11.193 15.891 0.265 392 HB2 GLU 50 2HB GLU 50 -13.067 17.565 0.442 393 HB3 GLU 50 1HB GLU 50 -14.184 16.252 0.110 394 HG2 GLU 50 2HG GLU 50 -13.530 15.115 2.124 395 HG3 GLU 50 1HG GLU 50 -12.272 16.314 2.430 396 H VAL 51 HN VAL 51 -11.621 13.986 1.437 397 HA VAL 51 HA VAL 51 -11.557 11.677 -0.072 398 HB VAL 51 HB VAL 51 -10.641 11.722 2.154 399 HG11 VAL 51 1HG1 VAL 51 -12.198 13.242 3.221 400 HG12 VAL 51 2HG1 VAL 51 -12.057 11.754 4.159 401 HG13 VAL 51 3HG1 VAL 51 -13.472 12.025 3.144 402 HG21 VAL 51 3HG2 VAL 51 -11.287 9.542 1.331 403 HG22 VAL 51 1HG2 VAL 51 -12.924 9.762 1.954 404 HG23 VAL 51 2HG2 VAL 51 -11.565 9.628 3.071 405 H SER 52 HN SER 52 -13.019 10.452 -1.016 406 HA SER 52 HA SER 52 -15.805 10.567 -0.084 407 HG SER 52 HG SER 52 -13.879 11.490 -2.947 408 HB2 SER 52 2HB SER 52 -16.389 10.233 -2.574 409 HB3 SER 52 1HB SER 52 -15.880 11.842 -2.062 410 H ASP 53 HN ASP 53 -13.127 8.737 -1.201 411 HA ASP 53 HA ASP 53 -14.659 6.270 -1.428 412 HB2 ASP 53 2HB ASP 53 -12.460 5.289 -2.101 413 HB3 ASP 53 1HB ASP 53 -12.973 6.625 -3.127 414 H ASN 54 HN ASN 54 -14.071 4.387 -0.200 415 HA ASN 54 HA ASN 54 -12.908 5.049 2.424 416 HB2 ASN 54 2HB ASN 54 -15.220 3.211 1.769 417 HB3 ASN 54 1HB ASN 54 -14.423 3.245 3.336 418 HD21 ASN 54 1HD2 ASN 54 -16.554 4.900 1.161 419 HD22 ASN 54 2HD2 ASN 54 -17.084 6.112 2.281 420 HA PRO 55 HA PRO 55 -10.042 1.760 1.554 421 HB2 PRO 55 2HB PRO 55 -9.557 1.595 4.433 422 HB3 PRO 55 1HB PRO 55 -8.477 2.139 3.148 423 HG2 PRO 55 2HG PRO 55 -9.529 3.830 4.975 424 HG3 PRO 55 1HG PRO 55 -9.159 4.324 3.315 425 HD2 PRO 55 2HD PRO 55 -11.797 3.597 4.529 426 HD3 PRO 55 1HD PRO 55 -11.403 4.902 3.390 427 H VAL 56 HN VAL 56 -12.289 0.607 1.233 428 HA VAL 56 HA VAL 56 -12.320 -1.690 3.080 429 HB VAL 56 HB VAL 56 -14.734 -1.948 2.625 430 HG11 VAL 56 1HG1 VAL 56 -15.524 -0.106 4.022 431 HG12 VAL 56 2HG1 VAL 56 -14.008 0.756 3.753 432 HG13 VAL 56 3HG1 VAL 56 -14.011 -0.769 4.640 433 HG21 VAL 56 3HG2 VAL 56 -15.994 -0.116 1.594 434 HG22 VAL 56 1HG2 VAL 56 -14.836 -0.825 0.466 435 HG23 VAL 56 2HG2 VAL 56 -14.482 0.720 1.239 436 H MET 57 HN MET 57 -13.204 -3.672 2.031 437 HA MET 57 HA MET 57 -13.280 -5.249 0.406 438 HB2 MET 57 2HB MET 57 -13.225 -2.900 -1.491 439 HB3 MET 57 1HB MET 57 -13.438 -4.574 -1.989 440 HG2 MET 57 2HG MET 57 -15.491 -4.721 -0.709 441 HG3 MET 57 1HG MET 57 -15.270 -3.068 -0.139 442 HE1 MET 57 3HE MET 57 -14.148 -1.649 -2.774 443 HE2 MET 57 1HE MET 57 -15.377 -0.924 -1.737 444 HE3 MET 57 2HE MET 57 -15.638 -1.026 -3.476 445 H ILE 58 HN ILE 58 -10.749 -2.957 0.505 446 HA ILE 58 HA ILE 58 -8.998 -4.212 -1.357 447 HB ILE 58 HB ILE 58 -8.792 -1.835 -0.804 448 HG12 ILE 58 2HG1 ILE 58 -6.326 -1.766 -0.419 449 HG13 ILE 58 1HG1 ILE 58 -6.372 -3.486 -0.045 450 HG21 ILE 58 1HG2 ILE 58 -7.826 -1.127 1.341 451 HG22 ILE 58 2HG2 ILE 58 -7.949 -2.786 1.925 452 HG23 ILE 58 3HG2 ILE 58 -9.410 -1.881 1.529 453 HD11 ILE 58 3HD1 ILE 58 -7.115 -2.227 -2.676 454 HD12 ILE 58 1HD1 ILE 58 -7.178 -3.949 -2.303 455 HD13 ILE 58 2HD1 ILE 58 -5.628 -3.108 -2.319 456 H ALA 59 HN ALA 59 -9.651 -4.630 2.048 457 HA ALA 59 HA ALA 59 -7.177 -5.954 2.642 458 HB1 ALA 59 1HB ALA 59 -9.741 -5.869 4.223 459 HB2 ALA 59 2HB ALA 59 -8.404 -4.727 4.360 460 HB3 ALA 59 3HB ALA 59 -8.174 -6.414 4.818 461 H GLU 60 HN GLU 60 -10.527 -7.005 2.155 462 HA GLU 60 HA GLU 60 -10.009 -9.765 2.436 463 HB2 GLU 60 2HB GLU 60 -12.193 -9.959 1.051 464 HB3 GLU 60 1HB GLU 60 -12.252 -9.273 2.666 465 HG2 GLU 60 2HG GLU 60 -11.913 -7.438 0.354 466 HG3 GLU 60 1HG GLU 60 -13.492 -8.162 0.645 467 H LEU 61 HN LEU 61 -9.615 -7.568 -0.202 468 HA LEU 61 HA LEU 61 -9.714 -9.190 -2.431 469 HG LEU 61 HG LEU 61 -9.722 -7.560 -4.245 470 HB2 LEU 61 2HB LEU 61 -9.123 -6.621 -1.991 471 HB3 LEU 61 1HB LEU 61 -7.500 -7.219 -2.229 472 HD11 LEU 61 1HD1 LEU 61 -9.195 -5.199 -3.922 473 HD12 LEU 61 2HD1 LEU 61 -8.621 -5.772 -5.489 474 HD13 LEU 61 3HD1 LEU 61 -7.482 -5.543 -4.164 475 HD21 LEU 61 3HD2 LEU 61 -7.906 -8.119 -5.773 476 HD22 LEU 61 1HD2 LEU 61 -7.934 -9.227 -4.401 477 HD23 LEU 61 2HD2 LEU 61 -6.736 -7.934 -4.467 478 H LEU 62 HN LEU 62 -6.964 -8.639 -0.254 479 HA LEU 62 HA LEU 62 -5.048 -9.965 -1.809 480 HG LEU 62 HG LEU 62 -3.028 -7.996 0.462 481 HB2 LEU 62 2HB LEU 62 -5.148 -9.249 1.096 482 HB3 LEU 62 1HB LEU 62 -3.819 -10.195 0.458 483 HD11 LEU 62 1HD1 LEU 62 -2.569 -9.116 -1.637 484 HD12 LEU 62 2HD1 LEU 62 -2.791 -7.385 -1.892 485 HD13 LEU 62 3HD1 LEU 62 -4.083 -8.509 -2.310 486 HD21 LEU 62 3HD2 LEU 62 -5.119 -6.846 0.890 487 HD22 LEU 62 1HD2 LEU 62 -5.637 -7.135 -0.769 488 HD23 LEU 62 2HD2 LEU 62 -4.258 -6.085 -0.447 489 H ARG 63 HN ARG 63 -7.495 -11.342 0.220 490 HA ARG 63 HA ARG 63 -6.020 -13.744 0.779 491 HE ARG 63 HE ARG 63 -9.459 -12.273 3.226 492 HB2 ARG 63 2HB ARG 63 -7.922 -14.556 1.889 493 HB3 ARG 63 1HB ARG 63 -7.926 -12.825 2.191 494 HG2 ARG 63 2HG ARG 63 -9.598 -12.529 0.428 495 HG3 ARG 63 1HG ARG 63 -9.609 -14.275 0.163 496 HD2 ARG 63 2HD ARG 63 -11.471 -13.612 1.571 497 HD3 ARG 63 1HD ARG 63 -10.334 -14.608 2.475 498 HH11 ARG 63 1HH1 ARG 63 -12.787 -13.188 2.662 499 HH12 ARG 63 2HH1 ARG 63 -13.422 -12.111 3.868 500 HH21 ARG 63 1HH2 ARG 63 -10.283 -10.856 4.831 501 HH22 ARG 63 2HH2 ARG 63 -12.005 -10.772 5.091 502 H GLU 64 HN GLU 64 -7.371 -12.594 -2.015 503 HA GLU 64 HA GLU 64 -8.259 -15.100 -3.093 504 HB2 GLU 64 2HB GLU 64 -7.750 -12.369 -4.239 505 HB3 GLU 64 1HB GLU 64 -8.075 -13.743 -5.280 506 HG2 GLU 64 2HG GLU 64 -9.889 -12.768 -3.089 507 HG3 GLU 64 1HG GLU 64 -10.086 -12.413 -4.804 508 H PHE 65 HN PHE 65 -5.302 -13.688 -2.408 509 HA PHE 65 HA PHE 65 -3.932 -15.572 -4.215 510 HD1 PHE 65 1HD PHE 65 -4.113 -14.334 -6.187 511 HD2 PHE 65 2HD PHE 65 -3.098 -11.007 -3.741 512 HE1 PHE 65 1HE PHE 65 -5.095 -12.815 -7.856 513 HE2 PHE 65 2HE PHE 65 -4.081 -9.482 -5.402 514 HZ PHE 65 HZ PHE 65 -5.082 -10.384 -7.459 515 HB2 PHE 65 2HB PHE 65 -2.675 -13.120 -2.966 516 HB3 PHE 65 1HB PHE 65 -2.029 -14.120 -4.260 517 HA PRO 66 HA PRO 66 -3.422 -16.877 0.210 518 HB2 PRO 66 2HB PRO 66 -3.940 -19.587 -0.673 519 HB3 PRO 66 1HB PRO 66 -4.902 -18.574 0.406 520 HG2 PRO 66 2HG PRO 66 -5.734 -19.308 -2.083 521 HG3 PRO 66 1HG PRO 66 -6.232 -17.802 -1.293 522 HD2 PRO 66 2HD PRO 66 -4.113 -18.236 -3.370 523 HD3 PRO 66 1HD PRO 66 -5.330 -16.945 -3.255 524 H GLN 67 HN GLN 67 -1.272 -16.421 -1.537 525 HA GLN 67 HA GLN 67 0.368 -18.846 -1.268 526 HB2 GLN 67 2HB GLN 67 0.871 -16.365 -2.925 527 HB3 GLN 67 1HB GLN 67 1.895 -17.792 -2.877 528 HG2 GLN 67 2HG GLN 67 0.132 -19.124 -3.859 529 HG3 GLN 67 1HG GLN 67 -0.950 -17.732 -3.846 530 HE21 GLN 67 1HE2 GLN 67 1.833 -19.187 -5.333 531 HE22 GLN 67 2HE2 GLN 67 1.887 -18.147 -6.718 532 H PHE 68 HN PHE 68 0.906 -15.338 -1.209 533 HA PHE 68 HA PHE 68 2.942 -15.714 0.851 534 HD1 PHE 68 2HD PHE 68 4.380 -15.783 -1.696 535 HD2 PHE 68 1HD PHE 68 1.707 -12.542 -2.302 536 HE1 PHE 68 2HE PHE 68 4.526 -16.129 -4.129 537 HE2 PHE 68 1HE PHE 68 1.842 -12.873 -4.733 538 HZ PHE 68 HZ PHE 68 3.253 -14.667 -5.654 539 HB2 PHE 68 2HB PHE 68 2.435 -12.996 -0.176 540 HB3 PHE 68 1HB PHE 68 3.956 -13.849 0.039 541 H ASP 69 HN ASP 69 2.993 -13.716 2.434 542 HA ASP 69 HA ASP 69 0.254 -13.269 3.415 543 HB2 ASP 69 2HB ASP 69 1.758 -14.569 4.954 544 HB3 ASP 69 1HB ASP 69 2.809 -13.160 5.038 545 H TRP 70 HN TRP 70 -0.141 -11.453 2.244 546 HA TRP 70 HA TRP 70 1.770 -9.393 1.823 547 HD1 TRP 70 1HD TRP 70 -0.598 -12.057 0.656 548 HE1 TRP 70 1HE TRP 70 -0.388 -12.815 -1.787 549 HE3 TRP 70 3HE TRP 70 0.334 -7.527 -1.520 550 HZ2 TRP 70 2HZ TRP 70 0.084 -11.648 -4.312 551 HZ3 TRP 70 3HZ TRP 70 0.645 -7.435 -3.957 552 HH2 TRP 70 2HH TRP 70 0.522 -9.453 -5.323 553 HB2 TRP 70 2HB TRP 70 -1.210 -9.246 1.473 554 HB3 TRP 70 1HB TRP 70 -0.036 -8.184 0.740 555 H GLN 71 HN GLN 71 2.055 -7.488 2.866 556 HA GLN 71 HA GLN 71 0.384 -6.943 5.221 557 HB2 GLN 71 2HB GLN 71 3.072 -5.816 4.404 558 HB3 GLN 71 1HB GLN 71 2.148 -5.235 5.778 559 HG2 GLN 71 2HG GLN 71 3.760 -6.677 6.662 560 HG3 GLN 71 1HG GLN 71 2.253 -7.591 6.682 561 HE21 GLN 71 1HE2 GLN 71 3.406 -9.541 6.747 562 HE22 GLN 71 2HE2 GLN 71 4.159 -10.179 5.328 563 H VAL 72 HN VAL 72 -0.089 -4.559 5.600 564 HA VAL 72 HA VAL 72 -0.491 -3.148 3.049 565 HB VAL 72 HB VAL 72 -2.497 -3.159 5.312 566 HG11 VAL 72 1HG1 VAL 72 -2.637 -1.991 2.533 567 HG12 VAL 72 2HG1 VAL 72 -2.450 -1.083 4.034 568 HG13 VAL 72 3HG1 VAL 72 -3.938 -1.980 3.726 569 HG21 VAL 72 3HG2 VAL 72 -2.632 -4.554 2.638 570 HG22 VAL 72 1HG2 VAL 72 -3.946 -4.450 3.810 571 HG23 VAL 72 2HG2 VAL 72 -2.474 -5.332 4.211 572 H ALA 73 HN ALA 73 0.370 -1.193 3.042 573 HA ALA 73 HA ALA 73 0.818 0.150 5.631 574 HB1 ALA 73 1HB ALA 73 2.922 -0.498 4.564 575 HB2 ALA 73 2HB ALA 73 2.750 1.255 4.628 576 HB3 ALA 73 3HB ALA 73 2.465 0.396 3.115 577 H VAL 74 HN VAL 74 0.312 2.311 5.786 578 HA VAL 74 HA VAL 74 -1.045 3.503 3.457 579 HB VAL 74 HB VAL 74 -2.584 4.652 5.057 580 HG11 VAL 74 1HG1 VAL 74 -4.023 2.688 5.444 581 HG12 VAL 74 2HG1 VAL 74 -2.668 1.639 5.026 582 HG13 VAL 74 3HG1 VAL 74 -3.350 2.725 3.813 583 HG21 VAL 74 3HG2 VAL 74 -1.469 2.680 7.048 584 HG22 VAL 74 1HG2 VAL 74 -2.846 3.748 7.309 585 HG23 VAL 74 2HG2 VAL 74 -1.236 4.428 7.083 586 H ALA 75 HN ALA 75 -1.007 5.820 3.385 587 HA ALA 75 HA ALA 75 1.350 6.903 4.770 588 HB1 ALA 75 1HB ALA 75 1.522 6.849 2.331 589 HB2 ALA 75 2HB ALA 75 1.519 8.504 2.942 590 HB3 ALA 75 3HB ALA 75 0.064 7.834 2.204 591 H ASP 76 HN ASP 76 1.277 9.087 5.495 592 HA ASP 76 HA ASP 76 -1.090 9.782 6.892 593 HB2 ASP 76 2HB ASP 76 1.122 10.301 7.776 594 HB3 ASP 76 1HB ASP 76 1.474 11.322 6.393 595 H LEU 77 HN LEU 77 0.258 12.592 5.504 596 HA LEU 77 HA LEU 77 -1.904 12.727 3.507 597 HG LEU 77 HG LEU 77 -3.706 13.987 4.546 598 HB2 LEU 77 2HB LEU 77 -0.945 14.801 5.451 599 HB3 LEU 77 1HB LEU 77 -1.636 15.298 3.920 600 HD11 LEU 77 1HD1 LEU 77 -4.059 13.519 6.917 601 HD12 LEU 77 2HD1 LEU 77 -2.384 13.961 7.250 602 HD13 LEU 77 3HD1 LEU 77 -2.741 12.552 6.252 603 HD21 LEU 77 3HD2 LEU 77 -3.599 16.410 4.695 604 HD22 LEU 77 1HD2 LEU 77 -2.897 16.291 6.308 605 HD23 LEU 77 2HD2 LEU 77 -4.548 15.742 6.022 606 H GLU 78 HN GLU 78 0.982 14.588 4.380 607 HA GLU 78 HA GLU 78 1.731 15.293 1.780 608 HB2 GLU 78 2HB GLU 78 2.539 16.294 3.967 609 HB3 GLU 78 1HB GLU 78 3.587 14.897 4.143 610 HG2 GLU 78 2HG GLU 78 3.721 16.690 1.745 611 HG3 GLU 78 1HG GLU 78 4.599 17.042 3.231 612 H GLN 79 HN GLN 79 2.606 12.559 3.809 613 HA GLN 79 HA GLN 79 4.610 11.402 2.302 614 HB2 GLN 79 2HB GLN 79 2.536 10.259 4.141 615 HB3 GLN 79 1HB GLN 79 3.654 9.198 3.298 616 HG2 GLN 79 2HG GLN 79 4.457 9.672 5.518 617 HG3 GLN 79 1HG GLN 79 5.537 10.374 4.319 618 HE21 GLN 79 1HE2 GLN 79 6.397 11.877 5.681 619 HE22 GLN 79 2HE2 GLN 79 5.504 13.238 6.273 620 H SER 80 HN SER 80 1.118 11.185 1.845 621 HA SER 80 HA SER 80 1.156 9.067 -0.025 622 HG SER 80 HG SER 80 -1.239 10.333 2.067 623 HB2 SER 80 2HB SER 80 -0.857 11.321 0.244 624 HB3 SER 80 1HB SER 80 -1.112 9.808 -0.622 625 H GLU 81 HN GLU 81 1.471 12.561 -0.361 626 HA GLU 81 HA GLU 81 1.368 12.515 -3.219 627 HB2 GLU 81 2HB GLU 81 0.786 14.507 -1.805 628 HB3 GLU 81 1HB GLU 81 2.498 14.672 -1.438 629 HG2 GLU 81 2HG GLU 81 2.989 15.020 -3.787 630 HG3 GLU 81 1HG GLU 81 1.283 14.809 -4.186 631 H ALA 82 HN ALA 82 3.899 12.615 -0.764 632 HA ALA 82 HA ALA 82 6.094 12.810 -2.510 633 HB1 ALA 82 1HB ALA 82 7.433 12.033 -0.623 634 HB2 ALA 82 2HB ALA 82 5.963 11.557 0.226 635 HB3 ALA 82 3HB ALA 82 6.267 13.259 -0.124 636 H ILE 83 HN ILE 83 4.443 9.973 -1.126 637 HA ILE 83 HA ILE 83 6.051 8.011 -2.326 638 HB ILE 83 HB ILE 83 3.145 7.904 -1.517 639 HG12 ILE 83 2HG1 ILE 83 5.655 6.781 -0.252 640 HG13 ILE 83 1HG1 ILE 83 4.777 8.200 0.305 641 HG21 ILE 83 1HG2 ILE 83 3.516 6.264 -3.271 642 HG22 ILE 83 2HG2 ILE 83 3.321 5.458 -1.715 643 HG23 ILE 83 3HG2 ILE 83 4.929 5.642 -2.418 644 HD11 ILE 83 3HD1 ILE 83 4.267 6.284 1.684 645 HD12 ILE 83 1HD1 ILE 83 3.754 5.371 0.267 646 HD13 ILE 83 2HD1 ILE 83 2.834 6.782 0.785 647 H GLY 84 HN GLY 84 3.037 9.538 -3.434 648 HA2 GLY 84 2HA GLY 84 2.817 8.252 -5.902 649 HA3 GLY 84 1HA GLY 84 2.212 9.865 -5.550 650 H ASP 85 HN ASP 85 4.586 11.179 -5.016 651 HA ASP 85 HA ASP 85 5.545 11.915 -7.524 652 HB2 ASP 85 2HB ASP 85 5.755 13.369 -5.600 653 HB3 ASP 85 1HB ASP 85 6.780 12.198 -4.783 654 H ARG 86 HN ARG 86 6.916 9.721 -5.128 655 HA ARG 86 HA ARG 86 9.352 9.176 -6.389 656 HE ARG 86 HE ARG 86 11.671 5.295 -4.471 657 HB2 ARG 86 2HB ARG 86 9.010 8.629 -4.083 658 HB3 ARG 86 1HB ARG 86 7.672 7.564 -4.471 659 HG2 ARG 86 2HG ARG 86 9.602 6.272 -3.876 660 HG3 ARG 86 1HG ARG 86 9.237 6.032 -5.585 661 HD2 ARG 86 2HD ARG 86 11.029 7.495 -6.230 662 HD3 ARG 86 1HD ARG 86 11.317 7.955 -4.550 663 HH11 ARG 86 1HH1 ARG 86 12.918 7.702 -6.701 664 HH12 ARG 86 2HH1 ARG 86 14.426 6.867 -6.939 665 HH21 ARG 86 1HH2 ARG 86 13.615 4.205 -4.788 666 HH22 ARG 86 2HH2 ARG 86 14.827 4.868 -5.851 667 H PHE 87 HN PHE 87 6.174 7.737 -6.850 668 HA PHE 87 HA PHE 87 7.358 5.797 -8.716 669 HD1 PHE 87 1HD PHE 87 7.676 3.590 -7.806 670 HD2 PHE 87 2HD PHE 87 4.887 5.308 -5.090 671 HE1 PHE 87 1HE PHE 87 8.769 2.413 -5.944 672 HE2 PHE 87 2HE PHE 87 5.979 4.136 -3.225 673 HZ PHE 87 HZ PHE 87 7.924 2.686 -3.649 674 HB2 PHE 87 2HB PHE 87 4.666 5.744 -7.334 675 HB3 PHE 87 1HB PHE 87 5.258 4.519 -8.452 676 H ASN 88 HN ASN 88 6.133 8.745 -8.849 677 HA ASN 88 HA ASN 88 5.295 10.061 -10.486 678 HB2 ASN 88 2HB ASN 88 5.968 7.644 -12.163 679 HB3 ASN 88 1HB ASN 88 5.394 9.165 -12.846 680 HD21 ASN 88 1HD2 ASN 88 8.006 7.561 -11.198 681 HD22 ASN 88 2HD2 ASN 88 9.187 8.798 -11.457 682 H VAL 89 HN VAL 89 3.525 8.534 -8.894 683 HA VAL 89 HA VAL 89 1.294 7.866 -10.666 684 HB VAL 89 HB VAL 89 1.448 7.704 -7.644 685 HG11 VAL 89 1HG1 VAL 89 -0.835 7.830 -8.472 686 HG12 VAL 89 2HG1 VAL 89 -0.485 6.220 -7.839 687 HG13 VAL 89 3HG1 VAL 89 -0.518 6.495 -9.581 688 HG21 VAL 89 3HG2 VAL 89 1.775 5.295 -7.940 689 HG22 VAL 89 1HG2 VAL 89 3.098 6.221 -8.652 690 HG23 VAL 89 2HG2 VAL 89 1.852 5.523 -9.687 691 H ARG 90 HN ARG 90 -0.629 9.049 -10.655 692 HA ARG 90 HA ARG 90 -0.368 11.819 -10.093 693 HE ARG 90 HE ARG 90 -2.343 13.391 -12.904 694 HB2 ARG 90 2HB ARG 90 -2.875 10.262 -10.747 695 HB3 ARG 90 1HB ARG 90 -2.684 12.006 -10.842 696 HG2 ARG 90 2HG ARG 90 -0.833 11.534 -12.536 697 HG3 ARG 90 1HG ARG 90 -1.482 9.892 -12.591 698 HD2 ARG 90 2HD ARG 90 -2.454 11.220 -14.364 699 HD3 ARG 90 1HD ARG 90 -3.691 10.814 -13.173 700 HH11 ARG 90 1HH1 ARG 90 -5.212 11.637 -13.907 701 HH12 ARG 90 2HH1 ARG 90 -6.238 13.044 -13.811 702 HH21 ARG 90 1HH2 ARG 90 -3.667 15.205 -12.816 703 HH22 ARG 90 2HH2 ARG 90 -5.349 15.088 -13.262 704 H ARG 91 HN ARG 91 -1.862 13.062 -8.729 705 HA ARG 91 HA ARG 91 -1.943 11.980 -6.081 706 HE ARG 91 HE ARG 91 -0.276 16.284 -4.263 707 HB2 ARG 91 2HB ARG 91 -3.190 14.550 -7.069 708 HB3 ARG 91 1HB ARG 91 -2.813 14.135 -5.404 709 HG2 ARG 91 2HG ARG 91 -0.426 14.129 -5.956 710 HG3 ARG 91 1HG ARG 91 -0.818 14.581 -7.614 711 HD2 ARG 91 2HD ARG 91 -0.267 16.604 -6.581 712 HD3 ARG 91 1HD ARG 91 -2.029 16.585 -6.586 713 HH11 ARG 91 1HH1 ARG 91 -3.524 16.489 -5.557 714 HH12 ARG 91 2HH1 ARG 91 -4.262 16.635 -3.991 715 HH21 ARG 91 1HH2 ARG 91 -1.240 16.545 -2.228 716 HH22 ARG 91 2HH2 ARG 91 -2.975 16.683 -2.105 717 H PHE 92 HN PHE 92 -3.313 10.152 -6.552 718 HA PHE 92 HA PHE 92 -6.124 10.766 -6.077 719 HD1 PHE 92 1HD PHE 92 -8.390 10.670 -7.901 720 HD2 PHE 92 2HD PHE 92 -4.588 11.069 -9.763 721 HE1 PHE 92 1HE PHE 92 -9.272 12.496 -9.293 722 HE2 PHE 92 2HE PHE 92 -5.460 12.898 -11.155 723 HZ PHE 92 HZ PHE 92 -7.805 13.616 -10.921 724 HB2 PHE 92 2HB PHE 92 -5.082 9.171 -8.420 725 HB3 PHE 92 1HB PHE 92 -6.694 8.900 -7.772 726 HA PRO 93 HA PRO 93 -5.833 7.146 -3.453 727 HB2 PRO 93 2HB PRO 93 -8.403 6.202 -4.528 728 HB3 PRO 93 1HB PRO 93 -7.963 6.600 -2.866 729 HG2 PRO 93 2HG PRO 93 -9.582 8.184 -4.315 730 HG3 PRO 93 1HG PRO 93 -8.436 8.841 -3.130 731 HD2 PRO 93 2HD PRO 93 -8.248 8.753 -6.114 732 HD3 PRO 93 1HD PRO 93 -7.732 10.023 -4.986 733 H ALA 94 HN ALA 94 -4.446 5.646 -4.047 734 HA ALA 94 HA ALA 94 -5.106 3.804 -6.221 735 HB1 ALA 94 1HB ALA 94 -2.494 5.303 -6.011 736 HB2 ALA 94 2HB ALA 94 -3.716 5.498 -7.269 737 HB3 ALA 94 3HB ALA 94 -2.825 3.983 -7.133 738 H THR 95 HN THR 95 -4.248 1.782 -5.997 739 HA THR 95 HA THR 95 -2.923 1.225 -3.437 740 HB THR 95 HB THR 95 -4.301 -0.742 -5.274 741 HG1 THR 95 1HG THR 95 -5.348 1.091 -3.594 742 HG21 THR 95 3HG2 THR 95 -2.662 -1.763 -3.794 743 HG22 THR 95 1HG2 THR 95 -4.295 -2.188 -3.280 744 HG23 THR 95 2HG2 THR 95 -3.388 -0.956 -2.403 745 H LEU 96 HN LEU 96 -0.798 0.830 -3.530 746 HA LEU 96 HA LEU 96 0.399 0.117 -6.099 747 HG LEU 96 HG LEU 96 2.641 2.790 -4.790 748 HB2 LEU 96 2HB LEU 96 1.643 0.911 -3.465 749 HB3 LEU 96 1HB LEU 96 2.567 0.422 -4.872 750 HD11 LEU 96 1HD1 LEU 96 2.337 1.900 -7.016 751 HD12 LEU 96 2HD1 LEU 96 1.524 3.457 -6.864 752 HD13 LEU 96 3HD1 LEU 96 0.586 1.965 -6.828 753 HD21 LEU 96 3HD2 LEU 96 0.646 4.210 -4.709 754 HD22 LEU 96 1HD2 LEU 96 0.789 3.195 -3.273 755 HD23 LEU 96 2HD2 LEU 96 -0.363 2.771 -4.540 756 H VAL 97 HN VAL 97 0.955 -1.891 -6.586 757 HA VAL 97 HA VAL 97 0.775 -3.939 -4.493 758 HB VAL 97 HB VAL 97 0.935 -4.266 -7.499 759 HG11 VAL 97 1HG1 VAL 97 0.257 -6.585 -7.059 760 HG12 VAL 97 2HG1 VAL 97 0.388 -6.280 -5.325 761 HG13 VAL 97 3HG1 VAL 97 1.824 -6.199 -6.349 762 HG21 VAL 97 3HG2 VAL 97 -1.437 -4.496 -5.647 763 HG22 VAL 97 1HG2 VAL 97 -1.438 -4.843 -7.376 764 HG23 VAL 97 2HG2 VAL 97 -1.150 -3.199 -6.808 765 H PHE 98 HN PHE 98 2.578 -4.701 -3.599 766 HA PHE 98 HA PHE 98 5.070 -4.462 -5.138 767 HD1 PHE 98 2HD PHE 98 7.433 -3.140 -4.382 768 HD2 PHE 98 1HD PHE 98 3.776 -1.525 -2.953 769 HE1 PHE 98 2HE PHE 98 8.081 -0.948 -5.245 770 HE2 PHE 98 1HE PHE 98 4.411 0.692 -3.818 771 HZ PHE 98 HZ PHE 98 6.574 0.983 -4.965 772 HB2 PHE 98 2HB PHE 98 4.466 -3.708 -2.318 773 HB3 PHE 98 1HB PHE 98 6.080 -4.299 -2.710 774 H THR 99 HN THR 99 6.111 -6.219 -5.489 775 HA THR 99 HA THR 99 6.240 -8.318 -3.473 776 HB THR 99 HB THR 99 5.912 -10.139 -5.105 777 HG1 THR 99 1HG THR 99 5.018 -9.665 -7.150 778 HG21 THR 99 3HG2 THR 99 3.542 -8.281 -4.979 779 HG22 THR 99 1HG2 THR 99 4.002 -9.459 -3.751 780 HG23 THR 99 2HG2 THR 99 3.485 -10.005 -5.347 781 H ASP 100 HN ASP 100 8.202 -9.520 -3.641 782 HA ASP 100 HA ASP 100 10.412 -9.844 -4.148 783 HB2 ASP 100 2HB ASP 100 9.504 -10.290 -6.446 784 HB3 ASP 100 1HB ASP 100 9.725 -8.594 -6.829 785 H GLY 101 HN GLY 101 9.228 -7.290 -3.108 786 HA2 GLY 101 2HA GLY 101 9.985 -5.235 -2.418 787 HA3 GLY 101 1HA GLY 101 11.567 -5.678 -3.039 788 H LYS 102 HN LYS 102 9.239 -6.032 -5.439 789 HA LYS 102 HA LYS 102 10.003 -3.417 -6.568 790 HB2 LYS 102 2HB LYS 102 9.396 -6.000 -8.017 791 HB3 LYS 102 1HB LYS 102 9.776 -4.468 -8.788 792 HG2 LYS 102 2HG LYS 102 11.998 -4.515 -7.737 793 HG3 LYS 102 1HG LYS 102 11.606 -6.087 -7.031 794 HD2 LYS 102 2HD LYS 102 11.261 -6.986 -9.297 795 HD3 LYS 102 1HD LYS 102 11.729 -5.425 -9.972 796 HE2 LYS 102 2HE LYS 102 13.928 -5.650 -8.875 797 HE3 LYS 102 1HE LYS 102 13.449 -7.246 -8.296 798 HZ1 LYS 102 3HZ LYS 102 13.770 -6.400 -11.126 799 HZ2 LYS 102 1HZ LYS 102 13.139 -7.902 -10.648 800 HZ3 LYS 102 2HZ LYS 102 14.738 -7.490 -10.273 801 H LEU 103 HN LEU 103 8.478 -2.427 -8.017 802 HA LEU 103 HA LEU 103 5.760 -2.662 -7.080 803 HG LEU 103 HG LEU 103 4.564 -0.997 -9.506 804 HB2 LEU 103 2HB LEU 103 6.736 -0.455 -7.473 805 HB3 LEU 103 1HB LEU 103 7.005 -0.858 -9.157 806 HD11 LEU 103 1HD1 LEU 103 4.394 -0.028 -6.656 807 HD12 LEU 103 2HD1 LEU 103 3.896 -1.613 -7.248 808 HD13 LEU 103 3HD1 LEU 103 3.045 -0.164 -7.785 809 HD21 LEU 103 3HD2 LEU 103 5.536 1.592 -8.302 810 HD22 LEU 103 1HD2 LEU 103 4.122 1.407 -9.339 811 HD23 LEU 103 2HD2 LEU 103 5.732 1.078 -9.978 812 H ARG 104 HN ARG 104 4.201 -3.793 -8.013 813 HA ARG 104 HA ARG 104 4.707 -5.092 -10.572 814 HE ARG 104 HE ARG 104 5.742 -6.343 -10.757 815 HB2 ARG 104 2HB ARG 104 2.403 -5.333 -8.628 816 HB3 ARG 104 1HB ARG 104 2.579 -6.284 -10.095 817 HG2 ARG 104 2HG ARG 104 4.585 -6.293 -7.855 818 HG3 ARG 104 1HG ARG 104 3.248 -7.436 -7.982 819 HD2 ARG 104 2HD ARG 104 5.131 -8.530 -8.890 820 HD3 ARG 104 1HD ARG 104 4.144 -8.043 -10.263 821 HH11 ARG 104 1HH1 ARG 104 6.696 -8.433 -8.121 822 HH12 ARG 104 2HH1 ARG 104 8.394 -8.138 -8.326 823 HH21 ARG 104 1HH2 ARG 104 7.995 -5.952 -11.046 824 HH22 ARG 104 2HH2 ARG 104 9.131 -6.738 -9.997 825 H GLY 105 HN GLY 105 2.430 -2.818 -9.110 826 HA2 GLY 105 2HA GLY 105 2.057 -1.267 -11.382 827 HA3 GLY 105 1HA GLY 105 0.794 -2.493 -11.394 828 H ALA 106 HN ALA 106 -0.008 0.055 -11.267 829 HA ALA 106 HA ALA 106 -0.703 0.484 -8.435 830 HB1 ALA 106 1HB ALA 106 -1.098 2.824 -9.019 831 HB2 ALA 106 2HB ALA 106 -0.643 2.485 -10.691 832 HB3 ALA 106 3HB ALA 106 0.554 2.335 -9.404 833 H LEU 107 HN LEU 107 -2.820 0.661 -7.863 834 HA LEU 107 HA LEU 107 -4.760 -0.172 -9.877 835 HG LEU 107 HG LEU 107 -5.659 -2.470 -7.169 836 HB2 LEU 107 2HB LEU 107 -4.648 -0.243 -6.906 837 HB3 LEU 107 1HB LEU 107 -6.223 -0.175 -7.661 838 HD11 LEU 107 1HD1 LEU 107 -5.905 -3.455 -9.386 839 HD12 LEU 107 2HD1 LEU 107 -5.459 -1.918 -10.126 840 HD13 LEU 107 3HD1 LEU 107 -6.950 -2.048 -9.193 841 HD21 LEU 107 3HD2 LEU 107 -3.750 -3.579 -8.244 842 HD22 LEU 107 1HD2 LEU 107 -3.239 -2.307 -7.135 843 HD23 LEU 107 2HD2 LEU 107 -3.213 -2.023 -8.876 844 H SER 108 HN SER 108 -5.626 1.428 -10.980 845 HA SER 108 HA SER 108 -7.038 3.520 -9.551 846 HG SER 108 HG SER 108 -4.792 3.979 -9.004 847 HB2 SER 108 2HB SER 108 -4.980 4.166 -11.683 848 HB3 SER 108 1HB SER 108 -6.065 5.325 -10.913 849 H GLY 109 HN GLY 109 -8.669 4.523 -10.842 850 HA2 GLY 109 2HA GLY 109 -9.943 4.880 -12.767 851 HA3 GLY 109 1HA GLY 109 -8.934 3.723 -13.620 852 H ILE 110 HN ILE 110 -9.184 1.409 -12.442 853 HA ILE 110 HA ILE 110 -11.895 0.681 -13.045 854 HB ILE 110 HB ILE 110 -11.174 -1.634 -12.561 855 HG12 ILE 110 2HG1 ILE 110 -8.466 -0.381 -12.039 856 HG13 ILE 110 1HG1 ILE 110 -9.506 -1.092 -10.808 857 HG21 ILE 110 1HG2 ILE 110 -10.958 -0.715 -14.797 858 HG22 ILE 110 2HG2 ILE 110 -9.621 -1.813 -14.456 859 HG23 ILE 110 3HG2 ILE 110 -9.367 -0.069 -14.398 860 HD11 ILE 110 3HD1 ILE 110 -7.713 -2.602 -11.470 861 HD12 ILE 110 1HD1 ILE 110 -8.289 -2.560 -13.136 862 HD13 ILE 110 2HD1 ILE 110 -9.298 -3.265 -11.872 863 H HIS 111 HN HIS 111 -13.208 -0.678 -11.642 864 HA HIS 111 HA HIS 111 -12.810 -0.285 -8.783 865 HD1 HIS 111 1HD HIS 111 -13.843 2.117 -7.074 866 HD2 HIS 111 2HD HIS 111 -13.841 3.050 -11.131 867 HE1 HIS 111 1HE HIS 111 -12.929 4.457 -7.238 868 HE2 HIS 111 2HE HIS 111 -13.120 5.069 -9.678 869 HB2 HIS 111 2HB HIS 111 -15.201 0.770 -10.296 870 HB3 HIS 111 1HB HIS 111 -15.223 0.490 -8.561 871 HA PRO 112 HA PRO 112 -16.515 -3.401 -9.546 872 HB2 PRO 112 2HB PRO 112 -16.479 -4.581 -12.032 873 HB3 PRO 112 1HB PRO 112 -17.532 -3.237 -11.571 874 HG2 PRO 112 2HG PRO 112 -14.921 -3.190 -13.038 875 HG3 PRO 112 1HG PRO 112 -16.408 -2.277 -13.366 876 HD2 PRO 112 2HD PRO 112 -14.339 -1.129 -12.134 877 HD3 PRO 112 1HD PRO 112 -16.007 -0.768 -11.642 878 H TRP 113 HN TRP 113 -16.420 -5.556 -9.133 879 HA TRP 113 HA TRP 113 -13.844 -6.776 -8.867 880 HD1 TRP 113 1HD TRP 113 -15.247 -10.584 -8.389 881 HE1 TRP 113 1HE TRP 113 -13.681 -11.630 -6.623 882 HE3 TRP 113 3HE TRP 113 -14.087 -6.357 -5.755 883 HZ2 TRP 113 2HZ TRP 113 -12.169 -10.757 -4.398 884 HZ3 TRP 113 3HZ TRP 113 -12.579 -6.550 -3.819 885 HH2 TRP 113 2HH TRP 113 -11.642 -8.709 -3.157 886 HB2 TRP 113 2HB TRP 113 -16.018 -7.015 -7.412 887 HB3 TRP 113 1HB TRP 113 -16.452 -8.252 -8.583 888 H ALA 114 HN ALA 114 -14.029 -9.354 -9.533 889 HA ALA 114 HA ALA 114 -13.870 -10.894 -11.190 890 HB1 ALA 114 1HB ALA 114 -16.236 -10.449 -11.646 891 HB2 ALA 114 2HB ALA 114 -15.344 -10.803 -13.127 892 HB3 ALA 114 3HB ALA 114 -15.777 -9.140 -12.734 893 H GLU 115 HN GLU 115 -14.194 -7.903 -13.104 894 HA GLU 115 HA GLU 115 -12.018 -8.430 -14.797 895 HB2 GLU 115 2HB GLU 115 -13.419 -5.875 -14.028 896 HB3 GLU 115 1HB GLU 115 -12.053 -5.874 -15.133 897 HG2 GLU 115 2HG GLU 115 -14.168 -5.841 -16.327 898 HG3 GLU 115 1HG GLU 115 -13.262 -7.311 -16.669 899 H LEU 116 HN LEU 116 -12.265 -6.741 -11.733 900 HA LEU 116 HA LEU 116 -9.689 -5.748 -11.459 901 HG LEU 116 HG LEU 116 -9.025 -5.320 -9.044 902 HB2 LEU 116 2HB LEU 116 -11.549 -5.311 -9.909 903 HB3 LEU 116 1HB LEU 116 -11.489 -6.970 -9.361 904 HD11 LEU 116 1HD1 LEU 116 -10.829 -3.833 -8.300 905 HD12 LEU 116 2HD1 LEU 116 -9.856 -4.400 -6.943 906 HD13 LEU 116 3HD1 LEU 116 -11.443 -5.107 -7.248 907 HD21 LEU 116 3HD2 LEU 116 -9.048 -7.690 -8.417 908 HD22 LEU 116 1HD2 LEU 116 -10.400 -7.388 -7.325 909 HD23 LEU 116 2HD2 LEU 116 -8.829 -6.654 -7.008 910 H LEU 117 HN LEU 117 -10.927 -8.968 -10.611 911 HA LEU 117 HA LEU 117 -8.497 -10.043 -9.723 912 HG LEU 117 HG LEU 117 -11.143 -12.346 -8.626 913 HB2 LEU 117 2HB LEU 117 -11.068 -11.172 -10.707 914 HB3 LEU 117 1HB LEU 117 -9.685 -12.246 -10.628 915 HD11 LEU 117 1HD1 LEU 117 -8.357 -11.318 -8.129 916 HD12 LEU 117 2HD1 LEU 117 -8.797 -12.988 -8.486 917 HD13 LEU 117 3HD1 LEU 117 -9.339 -12.234 -6.987 918 HD21 LEU 117 3HD2 LEU 117 -11.055 -10.494 -7.015 919 HD22 LEU 117 1HD2 LEU 117 -11.844 -10.031 -8.522 920 HD23 LEU 117 2HD2 LEU 117 -10.188 -9.522 -8.203 921 H THR 118 HN THR 118 -10.058 -10.239 -12.915 922 HA THR 118 HA THR 118 -8.142 -11.730 -14.236 923 HB THR 118 HB THR 118 -9.717 -9.449 -15.444 924 HG1 THR 118 1HG THR 118 -11.428 -10.810 -15.525 925 HG21 THR 118 3HG2 THR 118 -8.615 -11.995 -16.641 926 HG22 THR 118 1HG2 THR 118 -8.021 -10.360 -16.940 927 HG23 THR 118 2HG2 THR 118 -9.634 -10.829 -17.482 928 H LEU 119 HN LEU 119 -8.290 -8.187 -13.870 929 HA LEU 119 HA LEU 119 -5.900 -7.739 -15.368 930 HG LEU 119 HG LEU 119 -7.703 -4.552 -15.649 931 HB2 LEU 119 2HB LEU 119 -7.709 -6.050 -13.709 932 HB3 LEU 119 1HB LEU 119 -6.103 -5.441 -14.062 933 HD11 LEU 119 1HD1 LEU 119 -6.624 -5.245 -17.736 934 HD12 LEU 119 2HD1 LEU 119 -5.884 -6.606 -16.892 935 HD13 LEU 119 3HD1 LEU 119 -5.454 -4.955 -16.448 936 HD21 LEU 119 3HD2 LEU 119 -9.376 -6.321 -15.554 937 HD22 LEU 119 1HD2 LEU 119 -8.274 -7.420 -16.385 938 HD23 LEU 119 2HD2 LEU 119 -8.895 -5.996 -17.221 939 H MET 120 HN MET 120 -6.618 -7.661 -11.859 940 HA MET 120 HA MET 120 -3.993 -6.936 -11.124 941 HB2 MET 120 2HB MET 120 -6.223 -8.211 -9.573 942 HB3 MET 120 1HB MET 120 -4.650 -7.912 -8.846 943 HG2 MET 120 2HG MET 120 -4.916 -5.508 -9.529 944 HG3 MET 120 1HG MET 120 -6.582 -5.896 -9.952 945 HE1 MET 120 3HE MET 120 -4.445 -7.356 -6.995 946 HE2 MET 120 1HE MET 120 -4.887 -6.278 -5.672 947 HE3 MET 120 2HE MET 120 -3.940 -5.667 -7.029 948 H ARG 121 HN ARG 121 -5.360 -10.088 -11.843 949 HA ARG 121 HA ARG 121 -3.330 -11.665 -10.729 950 HE ARG 121 HE ARG 121 -6.987 -14.748 -9.865 951 HB2 ARG 121 2HB ARG 121 -5.264 -12.019 -12.988 952 HB3 ARG 121 1HB ARG 121 -4.022 -13.212 -12.697 953 HG2 ARG 121 2HG ARG 121 -4.865 -13.618 -10.472 954 HG3 ARG 121 1HG ARG 121 -6.056 -12.331 -10.671 955 HD2 ARG 121 2HD ARG 121 -7.083 -13.573 -12.512 956 HD3 ARG 121 1HD ARG 121 -5.895 -14.857 -12.306 957 HH11 ARG 121 1HH1 ARG 121 -8.404 -14.911 -13.062 958 HH12 ARG 121 2HH1 ARG 121 -9.890 -15.636 -12.516 959 HH21 ARG 121 1HH2 ARG 121 -8.918 -15.722 -9.126 960 HH22 ARG 121 2HH2 ARG 121 -10.159 -16.143 -10.271 961 H SER 122 HN SER 122 -3.622 -10.029 -13.832 962 HA SER 122 HA SER 122 -1.143 -10.989 -14.873 963 HG SER 122 HG SER 122 -0.837 -10.269 -17.020 964 HB2 SER 122 2HB SER 122 -3.082 -10.107 -16.248 965 HB3 SER 122 1HB SER 122 -2.628 -8.488 -15.719 966 H ILE 123 HN ILE 123 -2.145 -8.269 -12.928 967 HA ILE 123 HA ILE 123 0.266 -6.786 -13.065 968 HB ILE 123 HB ILE 123 -1.853 -6.842 -10.909 969 HG12 ILE 123 2HG1 ILE 123 -2.713 -6.128 -13.078 970 HG13 ILE 123 1HG1 ILE 123 -2.638 -4.759 -11.976 971 HG21 ILE 123 1HG2 ILE 123 -0.948 -4.700 -10.167 972 HG22 ILE 123 2HG2 ILE 123 0.344 -4.828 -11.361 973 HG23 ILE 123 3HG2 ILE 123 0.255 -5.983 -10.034 974 HD11 ILE 123 3HD1 ILE 123 -0.665 -5.379 -14.165 975 HD12 ILE 123 1HD1 ILE 123 -0.574 -4.012 -13.055 976 HD13 ILE 123 2HD1 ILE 123 -1.909 -4.131 -14.200 977 H VAL 124 HN VAL 124 -0.966 -9.163 -10.718 978 HA VAL 124 HA VAL 124 1.583 -9.176 -9.311 979 HB VAL 124 HB VAL 124 0.557 -10.695 -7.731 980 HG11 VAL 124 1HG1 VAL 124 -1.305 -9.315 -6.936 981 HG12 VAL 124 2HG1 VAL 124 -1.339 -8.477 -8.488 982 HG13 VAL 124 3HG1 VAL 124 0.072 -8.336 -7.440 983 HG21 VAL 124 3HG2 VAL 124 -0.708 -12.089 -9.271 984 HG22 VAL 124 1HG2 VAL 124 -1.817 -10.757 -9.593 985 HG23 VAL 124 2HG2 VAL 124 -1.751 -11.482 -7.986 986 H ASP 125 HN ASP 125 1.068 -10.238 -12.130 987 HA ASP 125 HA ASP 125 1.186 -12.977 -12.332 988 HB2 ASP 125 2HB ASP 125 1.035 -11.372 -14.232 989 HB3 ASP 125 1HB ASP 125 2.744 -11.014 -14.025 990 H THR 126 HN THR 126 3.947 -10.747 -12.108 991 HA THR 126 HA THR 126 5.971 -10.924 -11.123 992 HB THR 126 HB THR 126 4.864 -13.403 -9.791 993 HG1 THR 126 1HG THR 126 3.583 -11.802 -9.072 994 HG21 THR 126 3HG2 THR 126 7.169 -11.603 -9.031 995 HG22 THR 126 1HG2 THR 126 7.307 -13.245 -9.658 996 HG23 THR 126 2HG2 THR 126 6.569 -12.962 -8.083 997 HA PRO 127 HA PRO 127 7.835 -13.666 -14.183 998 HB2 PRO 127 2HB PRO 127 10.159 -12.281 -14.303 999 HB3 PRO 127 1HB PRO 127 8.701 -11.771 -15.160 1000 HG2 PRO 127 2HG PRO 127 9.803 -10.788 -12.555 1001 HG3 PRO 127 1HG PRO 127 9.133 -9.857 -13.908 1002 HD2 PRO 127 2HD PRO 127 7.711 -10.424 -11.677 1003 HD3 PRO 127 1HD PRO 127 6.957 -10.276 -13.280 1004 H ALA 128 HN ALA 128 10.669 -13.874 -13.992 1005 HA ALA 128 HA ALA 128 11.017 -15.915 -12.116 1006 HB1 ALA 128 1HB ALA 128 13.388 -15.768 -12.639 1007 HB2 ALA 128 2HB ALA 128 13.139 -14.193 -13.392 1008 HB3 ALA 128 3HB ALA 128 12.419 -15.636 -14.107 1009 H ALA 129 HN ALA 129 11.534 -12.461 -11.894 1010 HA ALA 129 HA ALA 129 11.798 -11.060 -10.132 1011 HB1 ALA 129 1HB ALA 129 10.001 -12.372 -9.092 1012 HB2 ALA 129 2HB ALA 129 11.163 -11.790 -7.902 1013 HB3 ALA 129 3HB ALA 129 11.203 -13.475 -8.421 1014 H GLN 130 HN GLN 130 13.051 -11.075 -7.794 1015 HA GLN 130 HA GLN 130 15.760 -11.960 -8.499 1016 HB2 GLN 130 2HB GLN 130 14.844 -10.038 -6.348 1017 HB3 GLN 130 1HB GLN 130 16.515 -10.396 -6.761 1018 HG2 GLN 130 2HG GLN 130 14.489 -9.073 -8.552 1019 HG3 GLN 130 1HG GLN 130 15.815 -8.276 -7.705 1020 HE21 GLN 130 1HE2 GLN 130 14.938 -10.381 -10.322 1021 HE22 GLN 130 2HE2 GLN 130 16.455 -10.326 -11.159 1022 H GLU 131 HN GLU 131 14.415 -14.074 -7.908 1023 HA GLU 131 HA GLU 131 13.826 -14.814 -5.326 1024 HB2 GLU 131 2HB GLU 131 13.263 -16.189 -7.260 1025 HB3 GLU 131 1HB GLU 131 14.965 -16.538 -7.531 1026 HG2 GLU 131 2HG GLU 131 15.034 -17.639 -5.310 1027 HG3 GLU 131 1HG GLU 131 13.295 -17.390 -5.181 1028 H THR 132 HN THR 132 15.163 -14.252 -3.738 1029 HA THR 132 HA THR 132 17.652 -15.751 -3.506 1030 HB THR 132 HB THR 132 18.648 -13.625 -2.401 1031 HG1 THR 132 1HG THR 132 16.597 -12.493 -4.043 1032 HG21 THR 132 3HG2 THR 132 19.561 -12.841 -4.538 1033 HG22 THR 132 1HG2 THR 132 18.324 -13.757 -5.402 1034 HG23 THR 132 2HG2 THR 132 19.545 -14.601 -4.448 1035 H VAL 133 HN VAL 133 18.025 -16.472 -1.477 1036 HA VAL 133 HA VAL 133 17.706 -16.978 0.708 1037 HB VAL 133 HB VAL 133 16.160 -14.385 0.899 1038 HG11 VAL 133 1HG1 VAL 133 17.410 -16.100 3.041 1039 HG12 VAL 133 2HG1 VAL 133 15.683 -15.880 2.754 1040 HG13 VAL 133 3HG1 VAL 133 16.669 -14.522 3.294 1041 HG21 VAL 133 3HG2 VAL 133 19.069 -14.947 1.476 1042 HG22 VAL 133 1HG2 VAL 133 18.233 -13.418 1.751 1043 HG23 VAL 133 2HG2 VAL 133 18.445 -14.026 0.108 1044 H GLN 134 HN GLN 134 14.645 -15.367 -0.210 1045 HA GLN 134 HA GLN 134 12.479 -15.902 0.264 1046 HB2 GLN 134 2HB GLN 134 13.387 -18.682 -0.508 1047 HB3 GLN 134 1HB GLN 134 11.729 -18.101 -0.495 1048 HG2 GLN 134 2HG GLN 134 13.954 -17.233 -2.322 1049 HG3 GLN 134 1HG GLN 134 12.501 -18.134 -2.750 1050 HE21 GLN 134 1HE2 GLN 134 10.500 -17.036 -2.832 1051 HE22 GLN 134 2HE2 GLN 134 10.436 -15.309 -2.942 1052 H LEU 135 HN LEU 135 12.788 -15.454 2.514 1053 HA LEU 135 HA LEU 135 13.654 -17.626 4.218 1054 HG LEU 135 HG LEU 135 14.026 -16.994 6.557 1055 HB2 LEU 135 2HB LEU 135 14.557 -15.335 4.469 1056 HB3 LEU 135 1HB LEU 135 12.960 -14.775 4.924 1057 HD11 LEU 135 1HD1 LEU 135 15.459 -15.497 7.871 1058 HD12 LEU 135 2HD1 LEU 135 15.212 -14.223 6.676 1059 HD13 LEU 135 3HD1 LEU 135 16.061 -15.702 6.226 1060 HD21 LEU 135 3HD2 LEU 135 12.754 -14.343 7.235 1061 HD22 LEU 135 1HD2 LEU 135 13.054 -15.671 8.355 1062 HD23 LEU 135 2HD2 LEU 135 11.896 -15.872 7.040 1063 H GLU 136 HN GLU 136 12.026 -19.083 4.434 1064 HA GLU 136 HA GLU 136 9.597 -18.142 5.796 1065 HB2 GLU 136 2HB GLU 136 10.311 -20.789 4.535 1066 HB3 GLU 136 1HB GLU 136 8.916 -20.597 5.587 1067 HG2 GLU 136 2HG GLU 136 8.259 -18.693 3.965 1068 HG3 GLU 136 1HG GLU 136 9.400 -19.470 2.865 1069 H HIS 137 HN HIS 137 12.142 -17.997 7.008 1070 HA HIS 137 HA HIS 137 12.456 -20.292 8.749 1071 HD1 HIS 137 1HD HIS 137 15.300 -17.740 10.897 1072 HD2 HIS 137 2HD HIS 137 14.983 -21.527 9.194 1073 HE1 HIS 137 1HE HIS 137 16.671 -19.265 12.356 1074 HE2 HIS 137 2HE HIS 137 16.411 -21.561 11.349 1075 HB2 HIS 137 2HB HIS 137 14.374 -19.041 7.674 1076 HB3 HIS 137 1HB HIS 137 14.023 -17.707 8.767 1077 H HIS 138 HN HIS 138 10.214 -18.081 8.870 1078 HA HIS 138 HA HIS 138 10.324 -16.812 11.329 1079 HD1 HIS 138 1HD HIS 138 5.715 -17.910 10.900 1080 HD2 HIS 138 2HD HIS 138 8.711 -19.341 8.396 1081 HE1 HIS 138 1HE HIS 138 4.680 -19.805 9.611 1082 HE2 HIS 138 2HE HIS 138 6.450 -20.519 7.969 1083 HB2 HIS 138 2HB HIS 138 7.879 -16.799 11.322 1084 HB3 HIS 138 1HB HIS 138 8.509 -16.415 9.730 1085 H HIS 139 HN HIS 139 10.268 -17.447 13.395 1086 HA HIS 139 HA HIS 139 10.651 -20.298 13.766 1087 HD1 HIS 139 1HD HIS 139 10.735 -18.552 17.931 1088 HD2 HIS 139 2HD HIS 139 11.248 -16.011 14.678 1089 HE1 HIS 139 1HE HIS 139 10.270 -16.236 18.796 1090 HE2 HIS 139 2HE HIS 139 10.426 -14.736 16.776 1091 HB2 HIS 139 2HB HIS 139 11.604 -19.741 15.930 1092 HB3 HIS 139 1HB HIS 139 12.322 -18.746 14.672 1093 H HIS 140 HN HIS 140 9.968 -21.214 15.903 1094 HA HIS 140 HA HIS 140 7.157 -21.411 15.949 1095 HD1 HIS 140 1HD HIS 140 6.690 -24.515 16.316 1096 HD2 HIS 140 2HD HIS 140 7.010 -22.576 19.981 1097 HE1 HIS 140 1HE HIS 140 4.914 -25.534 17.778 1098 HE2 HIS 140 2HE HIS 140 5.309 -24.525 20.052 1099 HB2 HIS 140 2HB HIS 140 8.857 -23.167 16.615 1100 HB3 HIS 140 1HB HIS 140 9.076 -22.283 18.118 1101 H HIS 141 HN HIS 141 5.625 -20.536 17.262 1102 HA HIS 141 HA HIS 141 6.483 -18.216 18.853 1103 HD1 HIS 141 1HD HIS 141 2.618 -17.441 19.897 1104 HD2 HIS 141 2HD HIS 141 5.446 -15.432 17.597 1105 HE1 HIS 141 1HE HIS 141 2.385 -15.011 20.496 1106 HE2 HIS 141 2HE HIS 141 3.945 -13.807 18.931 1107 HB2 HIS 141 2HB HIS 141 4.761 -18.089 16.926 1108 HB3 HIS 141 1HB HIS 141 3.653 -18.880 18.039 1109 H HIS 142 HN HIS 142 5.880 -17.985 21.020 1110 HA HIS 142 HA HIS 142 4.535 -20.334 22.183 1111 HD1 HIS 142 1HD HIS 142 8.249 -18.103 22.147 1112 HD2 HIS 142 2HD HIS 142 6.109 -17.752 25.698 1113 HE1 HIS 142 1HE HIS 142 9.163 -16.061 23.296 1114 HE2 HIS 142 2HE HIS 142 7.803 -15.817 25.400 1115 HB2 HIS 142 2HB HIS 142 5.811 -20.066 24.229 1116 HB3 HIS 142 1HB HIS 142 6.897 -20.248 22.863 Start of MODEL 6 1 HA MET 1 HA MET 1 -1.990 13.336 9.946 2 H1 MET 1 1HT MET 1 -1.384 11.099 10.528 3 H2 MET 1 2HT MET 1 -2.792 11.556 11.358 4 H3 MET 1 3HT MET 1 -1.306 11.511 12.173 5 HB2 MET 1 2HB MET 1 -3.104 13.685 12.251 6 HB3 MET 1 1HB MET 1 -1.495 14.091 12.824 7 HG2 MET 1 2HG MET 1 -2.842 15.507 10.542 8 HG3 MET 1 1HG MET 1 -2.968 16.027 12.219 9 HE1 MET 1 3HE MET 1 -2.109 18.433 11.547 10 HE2 MET 1 1HE MET 1 -1.980 17.922 9.867 11 HE3 MET 1 2HE MET 1 -0.621 18.729 10.647 12 H ALA 2 HN ALA 2 -0.039 12.695 8.906 13 HA ALA 2 HA ALA 2 2.132 12.962 8.315 14 HB1 ALA 2 1HB ALA 2 3.219 15.053 8.967 15 HB2 ALA 2 2HB ALA 2 1.970 15.320 10.184 16 HB3 ALA 2 3HB ALA 2 1.545 15.310 8.472 17 H ASN 3 HN ASN 3 1.499 11.355 10.750 18 HA ASN 3 HA ASN 3 4.073 10.664 11.633 19 HB2 ASN 3 2HB ASN 3 3.813 12.919 12.783 20 HB3 ASN 3 1HB ASN 3 2.481 12.218 13.694 21 HD21 ASN 3 1HD2 ASN 3 5.887 12.432 13.312 22 HD22 ASN 3 2HD2 ASN 3 6.320 11.497 14.708 23 H ASP 4 HN ASP 4 3.982 8.804 12.990 24 HA ASP 4 HA ASP 4 1.551 7.325 12.950 25 HB2 ASP 4 2HB ASP 4 3.730 6.207 12.957 26 HB3 ASP 4 1HB ASP 4 4.089 6.869 14.548 27 H THR 5 HN THR 5 -0.084 8.358 13.998 28 HA THR 5 HA THR 5 0.149 8.719 16.884 29 HB THR 5 HB THR 5 -1.106 10.983 16.485 30 HG1 THR 5 1HG THR 5 0.308 10.589 14.037 31 HG21 THR 5 3HG2 THR 5 1.041 12.186 16.483 32 HG22 THR 5 1HG2 THR 5 1.867 10.695 16.032 33 HG23 THR 5 2HG2 THR 5 1.054 10.815 17.593 34 HA PRO 6 HA PRO 6 -4.132 7.352 16.576 35 HB2 PRO 6 2HB PRO 6 -4.193 7.750 19.463 36 HB3 PRO 6 1HB PRO 6 -4.331 6.246 18.550 37 HG2 PRO 6 2HG PRO 6 -2.175 6.844 20.085 38 HG3 PRO 6 1HG PRO 6 -2.073 5.834 18.630 39 HD2 PRO 6 2HD PRO 6 -1.378 8.729 18.984 40 HD3 PRO 6 1HD PRO 6 -0.521 7.466 18.072 41 H PHE 7 HN PHE 7 -4.977 9.188 15.593 42 HA PHE 7 HA PHE 7 -5.327 11.568 17.272 43 HD1 PHE 7 2HD PHE 7 -4.206 13.969 16.499 44 HD2 PHE 7 1HD PHE 7 -7.190 12.820 13.692 45 HE1 PHE 7 2HE PHE 7 -5.005 16.292 16.403 46 HE2 PHE 7 1HE PHE 7 -7.993 15.142 13.591 47 HZ PHE 7 HZ PHE 7 -6.902 16.883 14.949 48 HB2 PHE 7 2HB PHE 7 -4.071 11.845 15.156 49 HB3 PHE 7 1HB PHE 7 -5.491 11.315 14.262 50 H SER 8 HN SER 8 -7.128 10.077 14.583 51 HA SER 8 HA SER 8 -9.609 10.704 16.038 52 HG SER 8 HG SER 8 -11.242 11.869 13.140 53 HB2 SER 8 2HB SER 8 -9.252 12.191 14.087 54 HB3 SER 8 1HB SER 8 -9.133 10.778 13.041 55 H ALA 9 HN ALA 9 -11.369 9.233 15.719 56 HA ALA 9 HA ALA 9 -10.615 6.514 15.700 57 HB1 ALA 9 1HB ALA 9 -13.356 7.743 15.401 58 HB2 ALA 9 2HB ALA 9 -12.570 7.299 16.915 59 HB3 ALA 9 3HB ALA 9 -13.027 6.049 15.759 60 H LEU 10 HN LEU 10 -11.913 8.639 13.233 61 HA LEU 10 HA LEU 10 -12.515 6.703 11.279 62 HG LEU 10 HG LEU 10 -13.174 7.661 9.115 63 HB2 LEU 10 2HB LEU 10 -13.211 9.128 11.308 64 HB3 LEU 10 1HB LEU 10 -11.582 9.542 10.818 65 HD11 LEU 10 1HD1 LEU 10 -14.102 9.572 7.896 66 HD12 LEU 10 2HD1 LEU 10 -13.417 10.669 9.096 67 HD13 LEU 10 3HD1 LEU 10 -14.683 9.531 9.562 68 HD21 LEU 10 3HD2 LEU 10 -10.822 8.061 8.578 69 HD22 LEU 10 1HD2 LEU 10 -11.127 9.797 8.514 70 HD23 LEU 10 2HD2 LEU 10 -11.876 8.726 7.332 71 H TRP 11 HN TRP 11 -9.560 8.190 12.300 72 HA TRP 11 HA TRP 11 -8.003 7.162 10.085 73 HD1 TRP 11 1HD TRP 11 -5.188 8.501 13.674 74 HE1 TRP 11 1HE TRP 11 -2.817 7.818 12.972 75 HE3 TRP 11 3HE TRP 11 -6.052 7.575 8.718 76 HZ2 TRP 11 2HZ TRP 11 -1.481 6.992 10.629 77 HZ3 TRP 11 3HZ TRP 11 -4.168 6.839 7.317 78 HH2 TRP 11 2HH TRP 11 -1.931 6.555 8.255 79 HB2 TRP 11 2HB TRP 11 -7.274 9.259 10.857 80 HB3 TRP 11 1HB TRP 11 -7.421 8.794 12.542 81 H GLN 12 HN GLN 12 -8.191 6.663 13.591 82 HA GLN 12 HA GLN 12 -6.244 4.654 13.745 83 HB2 GLN 12 2HB GLN 12 -6.892 5.907 15.693 84 HB3 GLN 12 1HB GLN 12 -8.540 5.308 15.589 85 HG2 GLN 12 2HG GLN 12 -7.868 3.114 16.205 86 HG3 GLN 12 1HG GLN 12 -6.164 3.525 16.045 87 HE21 GLN 12 1HE2 GLN 12 -5.139 4.633 17.666 88 HE22 GLN 12 2HE2 GLN 12 -5.864 4.898 19.220 89 H ARG 13 HN ARG 13 -9.595 4.458 12.809 90 HA ARG 13 HA ARG 13 -10.142 1.796 13.421 91 HE ARG 13 HE ARG 13 -11.470 4.693 8.359 92 HB2 ARG 13 2HB ARG 13 -11.853 1.850 11.706 93 HB3 ARG 13 1HB ARG 13 -11.844 3.377 12.576 94 HG2 ARG 13 2HG ARG 13 -10.639 4.431 10.750 95 HG3 ARG 13 1HG ARG 13 -10.590 2.896 9.883 96 HD2 ARG 13 2HD ARG 13 -13.041 2.883 9.789 97 HD3 ARG 13 1HD ARG 13 -13.077 4.426 10.639 98 HH11 ARG 13 1HH1 ARG 13 -14.844 4.246 9.205 99 HH12 ARG 13 2HH1 ARG 13 -15.433 5.063 7.783 100 HH21 ARG 13 1HH2 ARG 13 -12.260 5.745 6.482 101 HH22 ARG 13 2HH2 ARG 13 -13.969 5.901 6.246 102 H LEU 14 HN LEU 14 -8.271 3.144 10.754 103 HA LEU 14 HA LEU 14 -8.027 0.635 9.379 104 HG LEU 14 HG LEU 14 -7.470 3.191 6.807 105 HB2 LEU 14 2HB LEU 14 -6.385 3.158 9.146 106 HB3 LEU 14 1HB LEU 14 -6.211 1.765 8.103 107 HD11 LEU 14 1HD1 LEU 14 -8.587 1.042 6.922 108 HD12 LEU 14 2HD1 LEU 14 -9.765 2.343 6.731 109 HD13 LEU 14 3HD1 LEU 14 -9.533 1.588 8.309 110 HD21 LEU 14 3HD2 LEU 14 -7.799 4.915 8.492 111 HD22 LEU 14 1HD2 LEU 14 -9.075 3.953 9.237 112 HD23 LEU 14 2HD2 LEU 14 -9.291 4.593 7.607 113 H LEU 15 HN LEU 15 -6.039 2.531 11.581 114 HA LEU 15 HA LEU 15 -3.742 0.935 11.584 115 HG LEU 15 HG LEU 15 -4.736 3.992 11.969 116 HB2 LEU 15 2HB LEU 15 -4.838 2.499 13.919 117 HB3 LEU 15 1HB LEU 15 -3.167 2.038 13.652 118 HD11 LEU 15 1HD1 LEU 15 -4.237 4.884 14.166 119 HD12 LEU 15 2HD1 LEU 15 -3.235 5.666 12.944 120 HD13 LEU 15 3HD1 LEU 15 -2.544 4.426 13.991 121 HD21 LEU 15 3HD2 LEU 15 -3.082 2.795 10.651 122 HD22 LEU 15 1HD2 LEU 15 -1.839 3.165 11.847 123 HD23 LEU 15 2HD2 LEU 15 -2.576 4.466 10.911 124 H THR 16 HN THR 16 -6.720 0.736 13.432 125 HA THR 16 HA THR 16 -5.949 -1.198 15.312 126 HB THR 16 HB THR 16 -8.713 -0.822 14.131 127 HG1 THR 16 1HG THR 16 -7.505 1.079 15.117 128 HG21 THR 16 3HG2 THR 16 -8.457 -2.854 15.509 129 HG22 THR 16 1HG2 THR 16 -9.504 -1.664 16.285 130 HG23 THR 16 2HG2 THR 16 -7.841 -1.866 16.832 131 H ARG 17 HN ARG 17 -6.864 -1.474 11.958 132 HA ARG 17 HA ARG 17 -7.373 -4.306 12.085 133 HE ARG 17 HE ARG 17 -8.834 -4.971 8.800 134 HB2 ARG 17 2HB ARG 17 -7.119 -2.398 9.766 135 HB3 ARG 17 1HB ARG 17 -7.454 -4.113 9.577 136 HG2 ARG 17 2HG ARG 17 -9.458 -3.712 11.105 137 HG3 ARG 17 1HG ARG 17 -9.181 -1.994 10.798 138 HD2 ARG 17 2HD ARG 17 -10.837 -2.941 9.252 139 HD3 ARG 17 1HD ARG 17 -9.400 -2.361 8.406 140 HH11 ARG 17 1HH1 ARG 17 -11.664 -3.365 7.479 141 HH12 ARG 17 2HH1 ARG 17 -12.044 -4.671 6.389 142 HH21 ARG 17 1HH2 ARG 17 -9.346 -6.680 7.387 143 HH22 ARG 17 2HH2 ARG 17 -10.738 -6.562 6.361 144 H GLY 18 HN GLY 18 -4.586 -2.595 12.258 145 HA2 GLY 18 2HA GLY 18 -2.503 -3.734 12.461 146 HA3 GLY 18 1HA GLY 18 -3.064 -4.913 11.287 147 H TRP 19 HN TRP 19 -3.959 -1.970 10.139 148 HA TRP 19 HA TRP 19 -2.048 -2.005 8.053 149 HD1 TRP 19 1HD TRP 19 -4.271 -3.267 8.165 150 HE1 TRP 19 1HE TRP 19 -6.215 -3.900 6.603 151 HE3 TRP 19 3HE TRP 19 -5.231 1.341 6.164 152 HZ2 TRP 19 2HZ TRP 19 -7.926 -2.614 4.772 153 HZ3 TRP 19 3HZ TRP 19 -7.042 1.550 4.508 154 HH2 TRP 19 2HH TRP 19 -8.357 -0.391 3.827 155 HB2 TRP 19 2HB TRP 19 -4.041 0.123 8.868 156 HB3 TRP 19 1HB TRP 19 -3.070 0.190 7.400 157 H GLN 20 HN GLN 20 -0.174 -0.924 7.790 158 HA GLN 20 HA GLN 20 0.858 0.355 10.228 159 HB2 GLN 20 2HB GLN 20 1.862 -1.795 9.133 160 HB3 GLN 20 1HB GLN 20 2.569 -0.671 7.981 161 HG2 GLN 20 2HG GLN 20 4.181 -1.148 9.669 162 HG3 GLN 20 1HG GLN 20 3.640 0.517 9.877 163 HE21 GLN 20 1HE2 GLN 20 1.685 -2.208 10.813 164 HE22 GLN 20 2HE2 GLN 20 1.811 -1.969 12.524 165 HA PRO 21 HA PRO 21 1.067 4.145 7.809 166 HB2 PRO 21 2HB PRO 21 2.285 5.318 10.182 167 HB3 PRO 21 1HB PRO 21 0.722 5.673 9.443 168 HG2 PRO 21 2HG PRO 21 0.972 4.430 11.843 169 HG3 PRO 21 1HG PRO 21 -0.387 4.148 10.740 170 HD2 PRO 21 2HD PRO 21 2.054 2.477 11.205 171 HD3 PRO 21 1HD PRO 21 0.367 1.970 10.975 172 H VAL 22 HN VAL 22 2.660 4.642 6.446 173 HA VAL 22 HA VAL 22 5.440 4.281 7.353 174 HB VAL 22 HB VAL 22 6.031 3.625 5.030 175 HG11 VAL 22 1HG1 VAL 22 5.144 1.336 5.166 176 HG12 VAL 22 2HG1 VAL 22 4.005 1.863 6.406 177 HG13 VAL 22 3HG1 VAL 22 5.739 1.915 6.721 178 HG21 VAL 22 3HG2 VAL 22 3.041 3.495 4.631 179 HG22 VAL 22 1HG2 VAL 22 4.259 2.906 3.496 180 HG23 VAL 22 2HG2 VAL 22 4.149 4.629 3.856 181 H GLU 23 HN GLU 23 7.037 5.510 6.058 182 HA GLU 23 HA GLU 23 5.950 8.118 5.212 183 HB2 GLU 23 2HB GLU 23 8.734 7.521 6.231 184 HB3 GLU 23 1HB GLU 23 8.061 9.103 5.888 185 HG2 GLU 23 2HG GLU 23 6.476 8.832 7.718 186 HG3 GLU 23 1HG GLU 23 7.141 7.232 8.058 187 H ALA 24 HN ALA 24 7.339 9.206 3.525 188 HA ALA 24 HA ALA 24 7.677 7.449 1.318 189 HB1 ALA 24 1HB ALA 24 6.963 9.765 1.036 190 HB2 ALA 24 2HB ALA 24 8.421 9.431 0.101 191 HB3 ALA 24 3HB ALA 24 8.529 10.325 1.617 192 H SER 25 HN SER 25 9.796 8.690 3.745 193 HA SER 25 HA SER 25 12.219 8.221 2.272 194 HG SER 25 HG SER 25 11.644 9.540 6.045 195 HB2 SER 25 2HB SER 25 13.115 8.738 4.713 196 HB3 SER 25 1HB SER 25 12.455 10.018 3.691 197 H THR 26 HN THR 26 10.165 6.296 4.228 198 HA THR 26 HA THR 26 12.328 4.314 4.507 199 HB THR 26 HB THR 26 11.886 5.362 6.694 200 HG1 THR 26 1HG THR 26 11.504 2.663 6.163 201 HG21 THR 26 3HG2 THR 26 9.750 4.949 7.840 202 HG22 THR 26 1HG2 THR 26 9.105 4.226 6.366 203 HG23 THR 26 2HG2 THR 26 9.535 5.934 6.395 204 H VAL 27 HN VAL 27 9.489 4.895 3.003 205 HA VAL 27 HA VAL 27 7.952 2.601 3.583 206 HB VAL 27 HB VAL 27 6.936 4.539 2.528 207 HG11 VAL 27 1HG1 VAL 27 8.562 3.838 0.088 208 HG12 VAL 27 2HG1 VAL 27 8.770 5.262 1.110 209 HG13 VAL 27 3HG1 VAL 27 7.294 5.061 0.166 210 HG21 VAL 27 3HG2 VAL 27 5.613 3.400 0.810 211 HG22 VAL 27 1HG2 VAL 27 5.849 2.386 2.234 212 HG23 VAL 27 2HG2 VAL 27 6.793 2.090 0.774 213 H ASP 28 HN ASP 28 10.357 3.246 1.050 214 HA ASP 28 HA ASP 28 9.993 0.828 -0.351 215 HB2 ASP 28 2HB ASP 28 12.165 1.325 -1.398 216 HB3 ASP 28 1HB ASP 28 11.132 2.748 -1.351 217 H ASP 29 HN ASP 29 11.906 1.683 2.435 218 HA ASP 29 HA ASP 29 13.574 -0.602 2.479 219 HB2 ASP 29 2HB ASP 29 14.050 1.482 3.743 220 HB3 ASP 29 1HB ASP 29 12.687 1.131 4.802 221 H TRP 30 HN TRP 30 10.468 0.155 3.981 222 HA TRP 30 HA TRP 30 10.170 -2.312 5.347 223 HD1 TRP 30 1HD TRP 30 8.119 -2.311 7.671 224 HE1 TRP 30 1HE TRP 30 5.964 -3.717 7.826 225 HE3 TRP 30 3HE TRP 30 6.251 -1.449 2.988 226 HZ2 TRP 30 2HZ TRP 30 3.764 -4.368 6.177 227 HZ3 TRP 30 3HZ TRP 30 4.115 -2.500 2.359 228 HH2 TRP 30 2HH TRP 30 2.901 -3.928 3.922 229 HB2 TRP 30 2HB TRP 30 8.831 -0.342 5.933 230 HB3 TRP 30 1HB TRP 30 8.067 -0.368 4.349 231 H ILE 31 HN ILE 31 9.243 -1.153 2.159 232 HA ILE 31 HA ILE 31 7.715 -3.330 1.319 233 HB ILE 31 HB ILE 31 9.427 -1.434 -0.288 234 HG12 ILE 31 2HG1 ILE 31 6.426 -1.508 0.062 235 HG13 ILE 31 1HG1 ILE 31 7.489 -0.529 1.069 236 HG21 ILE 31 1HG2 ILE 31 7.359 -3.416 -1.233 237 HG22 ILE 31 2HG2 ILE 31 9.090 -3.451 -1.578 238 HG23 ILE 31 3HG2 ILE 31 8.085 -2.155 -2.231 239 HD11 ILE 31 3HD1 ILE 31 8.238 0.685 -0.908 240 HD12 ILE 31 1HD1 ILE 31 6.489 0.789 -0.703 241 HD13 ILE 31 2HD1 ILE 31 7.172 -0.296 -1.914 242 H LYS 32 HN LYS 32 11.207 -2.724 0.809 243 HA LYS 32 HA LYS 32 11.620 -5.195 -0.532 244 HB2 LYS 32 2HB LYS 32 14.011 -4.696 -0.336 245 HB3 LYS 32 1HB LYS 32 13.104 -3.309 -0.905 246 HG2 LYS 32 2HG LYS 32 14.478 -2.293 0.583 247 HG3 LYS 32 1HG LYS 32 13.127 -2.672 1.646 248 HD2 LYS 32 2HD LYS 32 14.277 -4.672 2.421 249 HD3 LYS 32 1HD LYS 32 15.618 -4.327 1.328 250 HE2 LYS 32 2HE LYS 32 14.706 -2.590 3.618 251 HE3 LYS 32 1HE LYS 32 16.134 -3.625 3.607 252 HZ1 LYS 32 3HZ LYS 32 15.683 -1.320 1.781 253 HZ2 LYS 32 1HZ LYS 32 17.069 -2.293 1.840 254 HZ3 LYS 32 2HZ LYS 32 16.672 -1.302 3.155 255 H ARG 33 HN ARG 33 11.357 -4.365 2.764 256 HA ARG 33 HA ARG 33 12.880 -6.522 3.858 257 HE ARG 33 HE ARG 33 12.383 -6.118 9.236 258 HB2 ARG 33 2HB ARG 33 12.315 -4.444 5.090 259 HB3 ARG 33 1HB ARG 33 10.633 -4.931 5.101 260 HG2 ARG 33 2HG ARG 33 11.375 -7.019 6.310 261 HG3 ARG 33 1HG ARG 33 12.941 -6.230 6.512 262 HD2 ARG 33 2HD ARG 33 11.887 -4.391 7.691 263 HD3 ARG 33 1HD ARG 33 10.297 -5.104 7.428 264 HH11 ARG 33 1HH1 ARG 33 9.104 -6.265 8.010 265 HH12 ARG 33 2HH1 ARG 33 8.511 -7.235 9.322 266 HH21 ARG 33 1HH2 ARG 33 11.594 -7.388 10.988 267 HH22 ARG 33 2HH2 ARG 33 9.913 -7.830 11.037 268 H VAL 34 HN VAL 34 9.444 -5.934 3.293 269 HA VAL 34 HA VAL 34 8.763 -8.633 4.142 270 HB VAL 34 HB VAL 34 6.419 -7.992 3.783 271 HG11 VAL 34 1HG1 VAL 34 7.486 -7.487 5.913 272 HG12 VAL 34 2HG1 VAL 34 6.279 -6.268 5.506 273 HG13 VAL 34 3HG1 VAL 34 7.995 -5.914 5.299 274 HG21 VAL 34 3HG2 VAL 34 5.823 -5.701 3.142 275 HG22 VAL 34 1HG2 VAL 34 6.696 -6.523 1.850 276 HG23 VAL 34 2HG2 VAL 34 7.524 -5.336 2.857 277 H GLY 35 HN GLY 35 8.928 -6.757 1.174 278 HA2 GLY 35 2HA GLY 35 9.550 -7.710 -0.886 279 HA3 GLY 35 1HA GLY 35 8.950 -9.267 -0.326 280 H ASP 36 HN ASP 36 6.494 -9.005 0.325 281 HA ASP 36 HA ASP 36 5.191 -7.895 -2.058 282 HB2 ASP 36 2HB ASP 36 4.429 -10.433 -0.599 283 HB3 ASP 36 1HB ASP 36 3.771 -9.841 -2.113 284 H GLY 37 HN GLY 37 3.430 -6.660 -1.731 285 HA2 GLY 37 2HA GLY 37 1.597 -6.830 0.357 286 HA3 GLY 37 1HA GLY 37 2.854 -5.718 0.885 287 H VAL 38 HN VAL 38 0.595 -4.515 0.818 288 HA VAL 38 HA VAL 38 0.586 -3.030 -1.716 289 HB VAL 38 HB VAL 38 -1.899 -2.708 -1.435 290 HG11 VAL 38 1HG1 VAL 38 -2.475 -4.882 -2.418 291 HG12 VAL 38 2HG1 VAL 38 -0.905 -5.513 -1.921 292 HG13 VAL 38 3HG1 VAL 38 -0.998 -4.214 -3.112 293 HG21 VAL 38 3HG2 VAL 38 -3.124 -4.365 -0.113 294 HG22 VAL 38 1HG2 VAL 38 -2.085 -3.377 0.912 295 HG23 VAL 38 2HG2 VAL 38 -1.601 -5.018 0.488 296 H ILE 39 HN ILE 39 0.582 -0.894 -1.561 297 HA ILE 39 HA ILE 39 0.329 0.289 1.118 298 HB ILE 39 HB ILE 39 1.960 1.131 -1.274 299 HG12 ILE 39 2HG1 ILE 39 3.740 1.324 0.523 300 HG13 ILE 39 1HG1 ILE 39 2.591 0.581 1.627 301 HG21 ILE 39 1HG2 ILE 39 0.814 3.136 -0.544 302 HG22 ILE 39 2HG2 ILE 39 2.516 3.215 -0.093 303 HG23 ILE 39 3HG2 ILE 39 1.298 2.834 1.122 304 HD11 ILE 39 3HD1 ILE 39 2.537 -1.411 0.208 305 HD12 ILE 39 1HD1 ILE 39 4.161 -1.050 0.795 306 HD13 ILE 39 2HD1 ILE 39 3.718 -0.662 -0.868 307 H LEU 40 HN LEU 40 -1.307 1.642 1.492 308 HA LEU 40 HA LEU 40 -2.957 2.454 -0.803 309 HG LEU 40 HG LEU 40 -3.566 0.051 1.091 310 HB2 LEU 40 2HB LEU 40 -3.650 2.272 2.133 311 HB3 LEU 40 1HB LEU 40 -4.744 2.822 0.877 312 HD11 LEU 40 1HD1 LEU 40 -5.248 0.526 2.798 313 HD12 LEU 40 2HD1 LEU 40 -5.827 -0.647 1.615 314 HD13 LEU 40 3HD1 LEU 40 -6.376 1.027 1.540 315 HD21 LEU 40 3HD2 LEU 40 -3.910 0.707 -1.227 316 HD22 LEU 40 1HD2 LEU 40 -5.563 1.199 -0.854 317 HD23 LEU 40 2HD2 LEU 40 -5.101 -0.499 -0.736 318 H LEU 41 HN LEU 41 -3.133 4.516 -1.342 319 HA LEU 41 HA LEU 41 -1.710 6.516 0.221 320 HG LEU 41 HG LEU 41 -1.085 5.313 -2.604 321 HB2 LEU 41 2HB LEU 41 -3.106 6.727 -2.451 322 HB3 LEU 41 1HB LEU 41 -2.149 7.992 -1.708 323 HD11 LEU 41 1HD1 LEU 41 -1.741 6.729 -4.483 324 HD12 LEU 41 2HD1 LEU 41 0.013 6.584 -4.378 325 HD13 LEU 41 3HD1 LEU 41 -0.785 8.056 -3.822 326 HD21 LEU 41 3HD2 LEU 41 0.325 7.760 -1.548 327 HD22 LEU 41 1HD2 LEU 41 1.112 6.314 -2.181 328 HD23 LEU 41 2HD2 LEU 41 0.146 6.219 -0.708 329 H SER 42 HN SER 42 -2.745 8.690 0.462 330 HA SER 42 HA SER 42 -5.030 8.723 1.975 331 HG SER 42 HG SER 42 -5.797 11.794 0.910 332 HB2 SER 42 2HB SER 42 -3.452 10.609 1.818 333 HB3 SER 42 1HB SER 42 -3.997 10.932 0.173 334 H SER 43 HN SER 43 -7.022 8.141 1.494 335 HA SER 43 HA SER 43 -7.850 7.951 -1.270 336 HG SER 43 HG SER 43 -7.116 6.101 0.290 337 HB2 SER 43 2HB SER 43 -9.255 7.093 1.268 338 HB3 SER 43 1HB SER 43 -9.747 6.680 -0.376 339 H ASP 44 HN ASP 44 -9.274 9.196 -2.261 340 HA ASP 44 HA ASP 44 -10.659 10.895 -2.762 341 HB2 ASP 44 2HB ASP 44 -12.302 9.965 -1.274 342 HB3 ASP 44 1HB ASP 44 -11.487 10.645 0.133 343 HA PRO 45 HA PRO 45 -8.031 14.348 -1.646 344 HB2 PRO 45 2HB PRO 45 -9.171 15.622 -3.996 345 HB3 PRO 45 1HB PRO 45 -7.513 15.084 -3.722 346 HG2 PRO 45 2HG PRO 45 -9.179 13.890 -5.507 347 HG3 PRO 45 1HG PRO 45 -7.886 13.025 -4.659 348 HD2 PRO 45 2HD PRO 45 -10.823 13.096 -4.062 349 HD3 PRO 45 1HD PRO 45 -9.702 11.716 -4.038 350 H ARG 46 HN ARG 46 -11.026 13.841 -1.012 351 HA ARG 46 HA ARG 46 -12.711 14.899 0.046 352 HE ARG 46 HE ARG 46 -12.782 14.478 1.299 353 HB2 ARG 46 2HB ARG 46 -10.693 16.200 1.058 354 HB3 ARG 46 1HB ARG 46 -11.206 17.503 -0.004 355 HG2 ARG 46 2HG ARG 46 -12.264 18.013 1.986 356 HG3 ARG 46 1HG ARG 46 -13.524 17.175 1.080 357 HD2 ARG 46 2HD ARG 46 -11.772 16.010 3.242 358 HD3 ARG 46 1HD ARG 46 -13.488 16.387 3.368 359 HH11 ARG 46 1HH1 ARG 46 -13.836 14.947 4.607 360 HH12 ARG 46 2HH1 ARG 46 -14.439 13.323 4.771 361 HH21 ARG 46 1HH2 ARG 46 -13.572 12.372 1.495 362 HH22 ARG 46 2HH2 ARG 46 -14.302 11.862 2.995 363 H ARG 47 HN ARG 47 -13.081 14.515 -2.514 364 HA ARG 47 HA ARG 47 -13.945 17.089 -3.658 365 HE ARG 47 HE ARG 47 -9.606 16.947 -5.595 366 HB2 ARG 47 2HB ARG 47 -13.498 14.467 -5.088 367 HB3 ARG 47 1HB ARG 47 -13.887 16.008 -5.835 368 HG2 ARG 47 2HG ARG 47 -11.361 15.362 -4.328 369 HG3 ARG 47 1HG ARG 47 -11.530 15.467 -6.079 370 HD2 ARG 47 2HD ARG 47 -12.102 17.832 -5.893 371 HD3 ARG 47 1HD ARG 47 -11.985 17.734 -4.136 372 HH11 ARG 47 1HH1 ARG 47 -11.306 19.594 -4.038 373 HH12 ARG 47 2HH1 ARG 47 -9.852 20.486 -3.696 374 HH21 ARG 47 1HH2 ARG 47 -7.707 18.114 -5.155 375 HH22 ARG 47 2HH2 ARG 47 -7.804 19.644 -4.324 376 H THR 48 HN THR 48 -15.000 13.749 -3.050 377 HA THR 48 HA THR 48 -17.738 14.616 -3.699 378 HB THR 48 HB THR 48 -18.190 12.146 -4.065 379 HG1 THR 48 1HG THR 48 -16.593 10.818 -3.693 380 HG21 THR 48 3HG2 THR 48 -17.229 12.143 -6.330 381 HG22 THR 48 1HG2 THR 48 -16.213 13.516 -5.895 382 HG23 THR 48 2HG2 THR 48 -17.969 13.693 -5.934 383 HA PRO 49 HA PRO 49 -18.497 13.680 0.675 384 HB2 PRO 49 2HB PRO 49 -21.126 14.807 0.045 385 HB3 PRO 49 1HB PRO 49 -19.939 15.350 1.233 386 HG2 PRO 49 2HG PRO 49 -20.493 16.749 -1.015 387 HG3 PRO 49 1HG PRO 49 -18.889 16.748 -0.261 388 HD2 PRO 49 2HD PRO 49 -19.861 15.248 -2.658 389 HD3 PRO 49 1HD PRO 49 -18.295 16.040 -2.381 390 H GLU 50 HN GLU 50 -20.624 13.267 -2.107 391 HA GLU 50 HA GLU 50 -21.957 10.966 -0.979 392 HB2 GLU 50 2HB GLU 50 -22.059 12.291 -3.695 393 HB3 GLU 50 1HB GLU 50 -22.914 10.799 -3.342 394 HG2 GLU 50 2HG GLU 50 -24.442 12.618 -3.159 395 HG3 GLU 50 1HG GLU 50 -24.143 11.973 -1.546 396 H VAL 51 HN VAL 51 -20.733 9.218 -0.744 397 HA VAL 51 HA VAL 51 -19.415 7.436 -1.181 398 HB VAL 51 HB VAL 51 -19.757 8.157 -4.098 399 HG11 VAL 51 1HG1 VAL 51 -18.895 5.578 -2.795 400 HG12 VAL 51 2HG1 VAL 51 -17.871 6.664 -3.733 401 HG13 VAL 51 3HG1 VAL 51 -19.200 5.809 -4.515 402 HG21 VAL 51 3HG2 VAL 51 -21.336 6.271 -2.352 403 HG22 VAL 51 1HG2 VAL 51 -21.519 6.441 -4.098 404 HG23 VAL 51 2HG2 VAL 51 -21.908 7.793 -3.035 405 H SER 52 HN SER 52 -17.626 8.259 -0.186 406 HA SER 52 HA SER 52 -15.613 9.588 -1.837 407 HG SER 52 HG SER 52 -16.506 11.130 -0.295 408 HB2 SER 52 2HB SER 52 -15.539 8.892 1.113 409 HB3 SER 52 1HB SER 52 -14.410 9.942 0.254 410 H ASP 53 HN ASP 53 -13.271 8.687 -1.196 411 HA ASP 53 HA ASP 53 -13.313 5.898 -1.989 412 HB2 ASP 53 2HB ASP 53 -11.002 7.811 -1.592 413 HB3 ASP 53 1HB ASP 53 -10.843 6.156 -2.170 414 H ASN 54 HN ASN 54 -13.225 4.286 -0.600 415 HA ASN 54 HA ASN 54 -11.653 4.505 1.836 416 HB2 ASN 54 2HB ASN 54 -13.903 5.341 2.455 417 HB3 ASN 54 1HB ASN 54 -14.606 3.824 1.906 418 HD21 ASN 54 1HD2 ASN 54 -15.464 3.522 3.969 419 HD22 ASN 54 2HD2 ASN 54 -14.480 2.969 5.280 420 HA PRO 55 HA PRO 55 -11.149 0.493 -0.155 421 HB2 PRO 55 2HB PRO 55 -8.614 0.070 0.590 422 HB3 PRO 55 1HB PRO 55 -9.028 1.277 -0.631 423 HG2 PRO 55 2HG PRO 55 -8.375 1.654 2.261 424 HG3 PRO 55 1HG PRO 55 -7.863 2.616 0.863 425 HD2 PRO 55 2HD PRO 55 -9.935 3.293 2.552 426 HD3 PRO 55 1HD PRO 55 -9.777 3.863 0.880 427 H VAL 56 HN VAL 56 -12.575 0.519 2.315 428 HA VAL 56 HA VAL 56 -11.270 -1.452 4.005 429 HB VAL 56 HB VAL 56 -13.414 -1.365 5.334 430 HG11 VAL 56 1HG1 VAL 56 -11.905 1.219 4.962 431 HG12 VAL 56 2HG1 VAL 56 -11.396 -0.134 5.970 432 HG13 VAL 56 3HG1 VAL 56 -12.853 0.770 6.378 433 HG21 VAL 56 3HG2 VAL 56 -13.969 0.963 3.501 434 HG22 VAL 56 1HG2 VAL 56 -14.865 0.585 4.973 435 HG23 VAL 56 2HG2 VAL 56 -14.902 -0.531 3.606 436 H MET 57 HN MET 57 -11.132 -2.902 2.292 437 HA MET 57 HA MET 57 -12.795 -5.103 2.391 438 HB2 MET 57 2HB MET 57 -13.939 -5.072 0.221 439 HB3 MET 57 1HB MET 57 -14.479 -3.724 1.211 440 HG2 MET 57 2HG MET 57 -13.075 -2.202 -0.036 441 HG3 MET 57 1HG MET 57 -12.425 -3.539 -0.984 442 HE1 MET 57 3HE MET 57 -13.026 -2.219 -3.232 443 HE2 MET 57 1HE MET 57 -13.659 -0.892 -2.259 444 HE3 MET 57 2HE MET 57 -14.627 -1.561 -3.570 445 H ILE 58 HN ILE 58 -10.154 -3.467 1.577 446 HA ILE 58 HA ILE 58 -9.268 -4.741 -0.799 447 HB ILE 58 HB ILE 58 -8.587 -2.456 0.126 448 HG12 ILE 58 2HG1 ILE 58 -6.245 -2.665 -0.753 449 HG13 ILE 58 1HG1 ILE 58 -6.462 -4.411 -0.802 450 HG21 ILE 58 1HG2 ILE 58 -8.039 -3.137 2.387 451 HG22 ILE 58 2HG2 ILE 58 -6.633 -2.417 1.606 452 HG23 ILE 58 3HG2 ILE 58 -6.739 -4.168 1.788 453 HD11 ILE 58 3HD1 ILE 58 -8.074 -2.397 -2.350 454 HD12 ILE 58 1HD1 ILE 58 -8.267 -4.148 -2.414 455 HD13 ILE 58 2HD1 ILE 58 -6.776 -3.403 -2.994 456 H ALA 59 HN ALA 59 -9.312 -5.645 2.490 457 HA ALA 59 HA ALA 59 -6.947 -7.171 2.670 458 HB1 ALA 59 1HB ALA 59 -7.900 -8.084 4.697 459 HB2 ALA 59 2HB ALA 59 -9.502 -7.506 4.233 460 HB3 ALA 59 3HB ALA 59 -8.224 -6.350 4.608 461 H GLU 60 HN GLU 60 -10.262 -8.047 1.761 462 HA GLU 60 HA GLU 60 -9.698 -10.846 1.659 463 HB2 GLU 60 2HB GLU 60 -11.935 -11.020 0.556 464 HB3 GLU 60 1HB GLU 60 -11.946 -10.235 2.128 465 HG2 GLU 60 2HG GLU 60 -11.972 -8.042 0.944 466 HG3 GLU 60 1HG GLU 60 -12.169 -8.929 -0.570 467 H LEU 61 HN LEU 61 -9.503 -8.229 -0.584 468 HA LEU 61 HA LEU 61 -9.463 -9.604 -3.014 469 HG LEU 61 HG LEU 61 -8.600 -6.410 -4.604 470 HB2 LEU 61 2HB LEU 61 -9.453 -7.081 -2.522 471 HB3 LEU 61 1HB LEU 61 -7.723 -7.239 -2.372 472 HD11 LEU 61 1HD1 LEU 61 -6.967 -7.702 -5.897 473 HD12 LEU 61 2HD1 LEU 61 -6.841 -8.858 -4.572 474 HD13 LEU 61 3HD1 LEU 61 -6.318 -7.190 -4.340 475 HD21 LEU 61 3HD2 LEU 61 -9.354 -8.129 -6.180 476 HD22 LEU 61 1HD2 LEU 61 -10.474 -7.935 -4.830 477 HD23 LEU 61 2HD2 LEU 61 -9.372 -9.311 -4.872 478 H LEU 62 HN LEU 62 -6.750 -8.610 -0.954 479 HA LEU 62 HA LEU 62 -4.783 -9.756 -2.618 480 HG LEU 62 HG LEU 62 -2.971 -7.184 -0.797 481 HB2 LEU 62 2HB LEU 62 -4.746 -8.675 0.166 482 HB3 LEU 62 1HB LEU 62 -3.339 -9.505 -0.468 483 HD11 LEU 62 1HD1 LEU 62 -2.313 -8.596 -2.668 484 HD12 LEU 62 2HD1 LEU 62 -2.816 -7.000 -3.224 485 HD13 LEU 62 3HD1 LEU 62 -3.901 -8.377 -3.403 486 HD21 LEU 62 3HD2 LEU 62 -5.245 -6.375 -0.540 487 HD22 LEU 62 1HD2 LEU 62 -5.685 -7.065 -2.103 488 HD23 LEU 62 2HD2 LEU 62 -4.529 -5.736 -2.020 489 H ARG 63 HN ARG 63 -6.754 -11.228 -0.186 490 HA ARG 63 HA ARG 63 -4.891 -13.410 0.209 491 HE ARG 63 HE ARG 63 -7.261 -12.495 3.624 492 HB2 ARG 63 2HB ARG 63 -6.679 -14.447 1.580 493 HB3 ARG 63 1HB ARG 63 -6.225 -12.837 2.116 494 HG2 ARG 63 2HG ARG 63 -8.207 -11.905 1.115 495 HG3 ARG 63 1HG ARG 63 -8.643 -13.483 0.452 496 HD2 ARG 63 2HD ARG 63 -9.875 -12.877 2.526 497 HD3 ARG 63 1HD ARG 63 -8.973 -14.386 2.637 498 HH11 ARG 63 1HH1 ARG 63 -10.569 -13.405 4.391 499 HH12 ARG 63 2HH1 ARG 63 -10.369 -13.141 6.101 500 HH21 ARG 63 1HH2 ARG 63 -7.027 -12.107 5.849 501 HH22 ARG 63 2HH2 ARG 63 -8.360 -12.398 6.924 502 H GLU 64 HN GLU 64 -6.594 -12.599 -2.360 503 HA GLU 64 HA GLU 64 -7.498 -15.247 -3.120 504 HB2 GLU 64 2HB GLU 64 -7.755 -12.563 -4.163 505 HB3 GLU 64 1HB GLU 64 -7.208 -13.658 -5.424 506 HG2 GLU 64 2HG GLU 64 -9.635 -14.095 -3.700 507 HG3 GLU 64 1HG GLU 64 -9.657 -13.420 -5.329 508 H PHE 65 HN PHE 65 -4.596 -13.758 -2.744 509 HA PHE 65 HA PHE 65 -3.294 -15.474 -4.754 510 HD1 PHE 65 1HD PHE 65 -3.572 -14.027 -6.771 511 HD2 PHE 65 2HD PHE 65 -3.007 -10.972 -3.864 512 HE1 PHE 65 1HE PHE 65 -4.894 -12.475 -8.149 513 HE2 PHE 65 2HE PHE 65 -4.333 -9.416 -5.232 514 HZ PHE 65 HZ PHE 65 -5.277 -10.165 -7.378 515 HB2 PHE 65 2HB PHE 65 -2.054 -13.017 -3.511 516 HB3 PHE 65 1HB PHE 65 -1.541 -13.876 -4.959 517 HA PRO 66 HA PRO 66 -2.333 -16.965 -0.495 518 HB2 PRO 66 2HB PRO 66 -2.690 -19.587 -0.923 519 HB3 PRO 66 1HB PRO 66 -4.059 -18.486 -0.728 520 HG2 PRO 66 2HG PRO 66 -2.884 -19.630 -3.227 521 HG3 PRO 66 1HG PRO 66 -4.589 -19.411 -2.789 522 HD2 PRO 66 2HD PRO 66 -3.177 -17.708 -4.423 523 HD3 PRO 66 1HD PRO 66 -4.607 -17.235 -3.484 524 H GLN 67 HN GLN 67 -0.299 -16.264 -2.370 525 HA GLN 67 HA GLN 67 1.598 -18.490 -2.084 526 HB2 GLN 67 2HB GLN 67 1.680 -15.972 -3.746 527 HB3 GLN 67 1HB GLN 67 3.069 -17.027 -3.546 528 HG2 GLN 67 2HG GLN 67 1.760 -18.872 -4.528 529 HG3 GLN 67 1HG GLN 67 0.435 -17.740 -4.804 530 HE21 GLN 67 1HE2 GLN 67 0.615 -16.194 -6.413 531 HE22 GLN 67 2HE2 GLN 67 1.873 -16.229 -7.607 532 H PHE 68 HN PHE 68 1.122 -15.074 -1.376 533 HA PHE 68 HA PHE 68 3.414 -15.169 0.473 534 HD1 PHE 68 2HD PHE 68 4.991 -14.938 -1.772 535 HD2 PHE 68 1HD PHE 68 1.934 -12.162 -2.744 536 HE1 PHE 68 2HE PHE 68 5.486 -15.247 -4.165 537 HE2 PHE 68 1HE PHE 68 2.409 -12.461 -5.138 538 HZ PHE 68 HZ PHE 68 4.186 -14.006 -5.851 539 HB2 PHE 68 2HB PHE 68 2.398 -12.560 -0.551 540 HB3 PHE 68 1HB PHE 68 4.040 -13.036 -0.144 541 H ASP 69 HN ASP 69 3.181 -13.790 2.401 542 HA ASP 69 HA ASP 69 0.392 -13.518 3.235 543 HB2 ASP 69 2HB ASP 69 1.979 -14.631 4.804 544 HB3 ASP 69 1HB ASP 69 2.904 -13.134 4.888 545 H TRP 70 HN TRP 70 -0.323 -11.745 2.213 546 HA TRP 70 HA TRP 70 1.330 -9.493 1.691 547 HD1 TRP 70 1HD TRP 70 -0.816 -12.311 0.273 548 HE1 TRP 70 1HE TRP 70 -0.191 -12.779 -2.178 549 HE3 TRP 70 3HE TRP 70 0.141 -7.525 -1.248 550 HZ2 TRP 70 2HZ TRP 70 0.581 -11.311 -4.458 551 HZ3 TRP 70 3HZ TRP 70 0.818 -7.144 -3.582 552 HH2 TRP 70 2HH TRP 70 1.033 -9.003 -5.152 553 HB2 TRP 70 2HB TRP 70 -1.654 -9.842 1.408 554 HB3 TRP 70 1HB TRP 70 -0.749 -8.460 0.809 555 H GLN 71 HN GLN 71 1.309 -7.494 2.541 556 HA GLN 71 HA GLN 71 -0.151 -7.110 5.060 557 HB2 GLN 71 2HB GLN 71 2.706 -6.480 4.375 558 HB3 GLN 71 1HB GLN 71 1.875 -5.683 5.705 559 HG2 GLN 71 2HG GLN 71 1.914 -7.516 7.009 560 HG3 GLN 71 1HG GLN 71 1.703 -8.622 5.656 561 HE21 GLN 71 1HE2 GLN 71 3.463 -9.376 4.568 562 HE22 GLN 71 2HE2 GLN 71 5.070 -9.198 5.168 563 H VAL 72 HN VAL 72 -0.931 -5.020 5.460 564 HA VAL 72 HA VAL 72 -1.042 -3.320 3.060 565 HB VAL 72 HB VAL 72 -2.989 -3.350 5.374 566 HG11 VAL 72 1HG1 VAL 72 -3.163 -2.104 2.631 567 HG12 VAL 72 2HG1 VAL 72 -2.900 -1.239 4.146 568 HG13 VAL 72 3HG1 VAL 72 -4.427 -2.076 3.861 569 HG21 VAL 72 3HG2 VAL 72 -3.249 -4.643 2.659 570 HG22 VAL 72 1HG2 VAL 72 -4.514 -4.554 3.885 571 HG23 VAL 72 2HG2 VAL 72 -3.049 -5.488 4.194 572 H ALA 73 HN ALA 73 -0.036 -1.445 3.131 573 HA ALA 73 HA ALA 73 0.478 -0.211 5.759 574 HB1 ALA 73 1HB ALA 73 2.544 -0.967 4.693 575 HB2 ALA 73 2HB ALA 73 2.488 0.793 4.792 576 HB3 ALA 73 3HB ALA 73 2.159 -0.015 3.260 577 H VAL 74 HN VAL 74 0.223 2.035 5.925 578 HA VAL 74 HA VAL 74 -1.269 3.258 3.696 579 HB VAL 74 HB VAL 74 -2.484 4.619 5.403 580 HG11 VAL 74 1HG1 VAL 74 -4.029 2.836 6.064 581 HG12 VAL 74 2HG1 VAL 74 -2.824 1.632 5.608 582 HG13 VAL 74 3HG1 VAL 74 -3.531 2.683 4.380 583 HG21 VAL 74 3HG2 VAL 74 -0.904 4.382 7.255 584 HG22 VAL 74 1HG2 VAL 74 -1.279 2.661 7.358 585 HG23 VAL 74 2HG2 VAL 74 -2.523 3.858 7.726 586 H ALA 75 HN ALA 75 -0.842 5.369 3.189 587 HA ALA 75 HA ALA 75 1.727 6.360 4.175 588 HB1 ALA 75 1HB ALA 75 1.402 6.097 1.757 589 HB2 ALA 75 2HB ALA 75 1.722 7.773 2.201 590 HB3 ALA 75 3HB ALA 75 0.078 7.260 1.817 591 H ASP 76 HN ASP 76 -0.543 6.605 5.880 592 HA ASP 76 HA ASP 76 -1.669 8.070 7.197 593 HB2 ASP 76 2HB ASP 76 0.589 8.750 7.793 594 HB3 ASP 76 1HB ASP 76 0.671 9.825 6.405 595 H LEU 77 HN LEU 77 -0.732 10.980 5.738 596 HA LEU 77 HA LEU 77 -2.876 11.052 3.773 597 HG LEU 77 HG LEU 77 -4.050 10.929 6.586 598 HB2 LEU 77 2HB LEU 77 -2.686 12.968 6.108 599 HB3 LEU 77 1HB LEU 77 -3.672 13.248 4.687 600 HD11 LEU 77 1HD1 LEU 77 -4.505 13.041 7.706 601 HD12 LEU 77 2HD1 LEU 77 -6.002 12.162 7.395 602 HD13 LEU 77 3HD1 LEU 77 -5.558 13.532 6.379 603 HD21 LEU 77 3HD2 LEU 77 -5.732 11.988 4.316 604 HD22 LEU 77 1HD2 LEU 77 -6.229 10.730 5.449 605 HD23 LEU 77 2HD2 LEU 77 -4.869 10.451 4.360 606 H GLU 78 HN GLU 78 -0.570 13.069 5.561 607 HA GLU 78 HA GLU 78 0.057 14.749 3.354 608 HB2 GLU 78 2HB GLU 78 0.304 15.327 5.795 609 HB3 GLU 78 1HB GLU 78 1.706 14.273 5.842 610 HG2 GLU 78 2HG GLU 78 2.797 15.673 4.146 611 HG3 GLU 78 1HG GLU 78 1.402 16.750 4.158 612 H GLN 79 HN GLN 79 1.407 11.823 4.689 613 HA GLN 79 HA GLN 79 3.879 11.856 3.311 614 HB2 GLN 79 2HB GLN 79 2.356 9.441 4.303 615 HB3 GLN 79 1HB GLN 79 4.074 9.524 3.953 616 HG2 GLN 79 2HG GLN 79 2.602 10.930 6.168 617 HG3 GLN 79 1HG GLN 79 3.743 9.598 6.325 618 HE21 GLN 79 1HE2 GLN 79 5.933 9.999 6.151 619 HE22 GLN 79 2HE2 GLN 79 6.595 11.599 6.188 620 H SER 80 HN SER 80 0.675 10.821 2.461 621 HA SER 80 HA SER 80 1.215 9.176 0.274 622 HG SER 80 HG SER 80 -0.565 9.288 2.272 623 HB2 SER 80 2HB SER 80 -1.124 11.059 0.648 624 HB3 SER 80 1HB SER 80 -1.064 9.695 -0.468 625 H GLU 81 HN GLU 81 0.973 12.684 0.500 626 HA GLU 81 HA GLU 81 1.088 13.379 -2.191 627 HB2 GLU 81 2HB GLU 81 0.692 15.003 -0.415 628 HB3 GLU 81 1HB GLU 81 2.313 14.748 0.210 629 HG2 GLU 81 2HG GLU 81 2.386 16.772 -0.969 630 HG3 GLU 81 1HG GLU 81 3.167 15.584 -2.009 631 H ALA 82 HN ALA 82 3.722 12.812 0.108 632 HA ALA 82 HA ALA 82 5.825 13.329 -1.706 633 HB1 ALA 82 1HB ALA 82 5.854 11.711 0.837 634 HB2 ALA 82 2HB ALA 82 6.114 13.450 0.712 635 HB3 ALA 82 3HB ALA 82 7.270 12.332 -0.011 636 H ILE 83 HN ILE 83 4.245 10.333 -0.664 637 HA ILE 83 HA ILE 83 6.025 8.596 -2.026 638 HB ILE 83 HB ILE 83 3.228 8.121 -0.999 639 HG12 ILE 83 2HG1 ILE 83 5.965 7.451 0.098 640 HG13 ILE 83 1HG1 ILE 83 4.849 8.649 0.738 641 HG21 ILE 83 1HG2 ILE 83 5.240 6.102 -1.989 642 HG22 ILE 83 2HG2 ILE 83 3.724 6.532 -2.784 643 HG23 ILE 83 3HG2 ILE 83 3.700 5.729 -1.213 644 HD11 ILE 83 3HD1 ILE 83 4.855 6.635 2.085 645 HD12 ILE 83 1HD1 ILE 83 4.399 5.676 0.676 646 HD13 ILE 83 2HD1 ILE 83 3.283 6.877 1.323 647 H GLY 84 HN GLY 84 2.910 10.041 -2.921 648 HA2 GLY 84 2HA GLY 84 2.480 8.630 -5.308 649 HA3 GLY 84 1HA GLY 84 1.887 10.250 -4.970 650 H ASP 85 HN ASP 85 4.402 11.506 -4.657 651 HA ASP 85 HA ASP 85 5.143 11.890 -7.405 652 HB2 ASP 85 2HB ASP 85 5.094 13.777 -5.845 653 HB3 ASP 85 1HB ASP 85 6.326 13.005 -4.857 654 H ARG 86 HN ARG 86 6.583 10.459 -4.542 655 HA ARG 86 HA ARG 86 9.176 9.998 -5.364 656 HE ARG 86 HE ARG 86 11.689 7.053 -2.453 657 HB2 ARG 86 2HB ARG 86 8.392 9.672 -3.084 658 HB3 ARG 86 1HB ARG 86 7.403 8.312 -3.589 659 HG2 ARG 86 2HG ARG 86 9.367 7.503 -2.488 660 HG3 ARG 86 1HG ARG 86 9.459 7.092 -4.200 661 HD2 ARG 86 2HD ARG 86 11.002 8.878 -4.608 662 HD3 ARG 86 1HD ARG 86 10.791 9.497 -2.970 663 HH11 ARG 86 1HH1 ARG 86 12.840 9.444 -4.747 664 HH12 ARG 86 2HH1 ARG 86 14.482 8.878 -4.691 665 HH21 ARG 86 1HH2 ARG 86 13.851 6.341 -2.362 666 HH22 ARG 86 2HH2 ARG 86 15.058 7.128 -3.332 667 H PHE 87 HN PHE 87 6.317 7.976 -5.973 668 HA PHE 87 HA PHE 87 8.025 6.175 -7.549 669 HD1 PHE 87 1HD PHE 87 8.686 4.090 -6.621 670 HD2 PHE 87 2HD PHE 87 5.509 5.283 -4.054 671 HE1 PHE 87 1HE PHE 87 9.877 3.115 -4.699 672 HE2 PHE 87 2HE PHE 87 6.695 4.310 -2.132 673 HZ PHE 87 HZ PHE 87 8.880 3.226 -2.448 674 HB2 PHE 87 2HB PHE 87 5.322 5.690 -6.289 675 HB3 PHE 87 1HB PHE 87 6.125 4.551 -7.365 676 H ASN 88 HN ASN 88 6.289 8.793 -8.108 677 HA ASN 88 HA ASN 88 5.298 9.712 -9.933 678 HB2 ASN 88 2HB ASN 88 6.458 7.291 -11.337 679 HB3 ASN 88 1HB ASN 88 5.789 8.704 -12.148 680 HD21 ASN 88 1HD2 ASN 88 8.405 7.478 -10.217 681 HD22 ASN 88 2HD2 ASN 88 9.494 8.788 -10.491 682 H VAL 89 HN VAL 89 3.604 8.356 -8.301 683 HA VAL 89 HA VAL 89 1.925 6.598 -9.929 684 HB VAL 89 HB VAL 89 1.505 7.405 -7.043 685 HG11 VAL 89 1HG1 VAL 89 0.534 5.028 -8.626 686 HG12 VAL 89 2HG1 VAL 89 -0.439 6.402 -8.101 687 HG13 VAL 89 3HG1 VAL 89 0.248 5.300 -6.907 688 HG21 VAL 89 3HG2 VAL 89 2.646 5.338 -6.405 689 HG22 VAL 89 1HG2 VAL 89 3.727 6.437 -7.264 690 HG23 VAL 89 2HG2 VAL 89 3.047 5.039 -8.097 691 H ARG 90 HN ARG 90 2.283 9.797 -9.601 692 HA ARG 90 HA ARG 90 1.029 11.654 -9.979 693 HE ARG 90 HE ARG 90 1.825 12.197 -11.193 694 HB2 ARG 90 2HB ARG 90 -1.230 9.714 -10.529 695 HB3 ARG 90 1HB ARG 90 -1.294 11.444 -10.821 696 HG2 ARG 90 2HG ARG 90 0.647 9.575 -12.161 697 HG3 ARG 90 1HG ARG 90 -0.903 10.061 -12.845 698 HD2 ARG 90 2HD ARG 90 0.724 11.460 -13.827 699 HD3 ARG 90 1HD ARG 90 -0.113 12.445 -12.630 700 HH11 ARG 90 1HH1 ARG 90 2.232 11.242 -14.538 701 HH12 ARG 90 2HH1 ARG 90 3.962 11.448 -14.516 702 HH21 ARG 90 1HH2 ARG 90 4.083 12.460 -11.152 703 HH22 ARG 90 2HH2 ARG 90 5.018 12.143 -12.589 704 H ARG 91 HN ARG 91 -1.337 12.567 -9.164 705 HA ARG 91 HA ARG 91 -1.358 11.868 -6.307 706 HE ARG 91 HE ARG 91 -0.227 15.757 -4.647 707 HB2 ARG 91 2HB ARG 91 -0.786 14.232 -6.915 708 HB3 ARG 91 1HB ARG 91 -2.404 14.400 -7.587 709 HG2 ARG 91 2HG ARG 91 -3.375 13.975 -5.393 710 HG3 ARG 91 1HG ARG 91 -1.760 13.772 -4.710 711 HD2 ARG 91 2HD ARG 91 -2.786 16.281 -6.027 712 HD3 ARG 91 1HD ARG 91 -2.717 16.009 -4.286 713 HH11 ARG 91 1HH1 ARG 91 -2.248 17.768 -6.696 714 HH12 ARG 91 2HH1 ARG 91 -0.936 18.821 -7.165 715 HH21 ARG 91 1HH2 ARG 91 1.464 17.146 -5.216 716 HH22 ARG 91 2HH2 ARG 91 1.180 18.473 -6.300 717 H PHE 92 HN PHE 92 -2.638 10.001 -7.236 718 HA PHE 92 HA PHE 92 -5.478 10.655 -6.950 719 HD1 PHE 92 2HD PHE 92 -7.328 11.018 -8.955 720 HD2 PHE 92 1HD PHE 92 -3.423 10.573 -10.585 721 HE1 PHE 92 2HE PHE 92 -7.752 12.907 -10.473 722 HE2 PHE 92 1HE PHE 92 -3.837 12.463 -12.106 723 HZ PHE 92 HZ PHE 92 -6.007 13.632 -12.050 724 HB2 PHE 92 2HB PHE 92 -4.282 8.936 -9.137 725 HB3 PHE 92 1HB PHE 92 -5.989 8.905 -8.711 726 HA PRO 93 HA PRO 93 -5.283 7.369 -3.979 727 HB2 PRO 93 2HB PRO 93 -7.941 6.603 -4.141 728 HB3 PRO 93 1HB PRO 93 -7.310 7.894 -3.118 729 HG2 PRO 93 2HG PRO 93 -8.677 8.060 -5.757 730 HG3 PRO 93 1HG PRO 93 -8.774 9.160 -4.371 731 HD2 PRO 93 2HD PRO 93 -7.331 9.732 -6.585 732 HD3 PRO 93 1HD PRO 93 -6.849 10.276 -4.967 733 H ALA 94 HN ALA 94 -4.297 5.570 -4.532 734 HA ALA 94 HA ALA 94 -5.640 3.578 -6.164 735 HB1 ALA 94 1HB ALA 94 -3.749 3.296 -7.689 736 HB2 ALA 94 2HB ALA 94 -2.940 4.677 -6.950 737 HB3 ALA 94 3HB ALA 94 -4.448 4.907 -7.833 738 H THR 95 HN THR 95 -4.923 1.519 -5.795 739 HA THR 95 HA THR 95 -3.360 1.107 -3.412 740 HB THR 95 HB THR 95 -4.433 -0.954 -5.355 741 HG1 THR 95 1HG THR 95 -6.200 -1.042 -3.805 742 HG21 THR 95 3HG2 THR 95 -2.750 -1.806 -3.782 743 HG22 THR 95 1HG2 THR 95 -4.351 -2.463 -3.434 744 HG23 THR 95 2HG2 THR 95 -3.693 -1.168 -2.434 745 H LEU 96 HN LEU 96 -1.197 0.723 -3.376 746 HA LEU 96 HA LEU 96 0.165 0.404 -5.937 747 HG LEU 96 HG LEU 96 2.338 2.852 -4.226 748 HB2 LEU 96 2HB LEU 96 1.135 0.960 -3.147 749 HB3 LEU 96 1HB LEU 96 2.238 0.474 -4.419 750 HD11 LEU 96 1HD1 LEU 96 2.456 2.004 -6.488 751 HD12 LEU 96 2HD1 LEU 96 1.637 3.566 -6.464 752 HD13 LEU 96 3HD1 LEU 96 0.700 2.081 -6.632 753 HD21 LEU 96 3HD2 LEU 96 -0.658 2.866 -4.569 754 HD22 LEU 96 1HD2 LEU 96 0.379 4.292 -4.499 755 HD23 LEU 96 2HD2 LEU 96 0.224 3.246 -3.089 756 H VAL 97 HN VAL 97 0.827 -1.465 -6.680 757 HA VAL 97 HA VAL 97 0.536 -3.817 -4.963 758 HB VAL 97 HB VAL 97 0.915 -3.689 -7.961 759 HG11 VAL 97 1HG1 VAL 97 0.152 -6.029 -7.904 760 HG12 VAL 97 2HG1 VAL 97 0.148 -5.968 -6.140 761 HG13 VAL 97 3HG1 VAL 97 1.663 -5.795 -7.025 762 HG21 VAL 97 3HG2 VAL 97 -1.474 -4.205 -8.104 763 HG22 VAL 97 1HG2 VAL 97 -1.193 -2.662 -7.296 764 HG23 VAL 97 2HG2 VAL 97 -1.602 -4.093 -6.347 765 H PHE 98 HN PHE 98 2.348 -4.164 -3.861 766 HA PHE 98 HA PHE 98 4.897 -4.032 -5.306 767 HD1 PHE 98 2HD PHE 98 7.116 -2.689 -4.382 768 HD2 PHE 98 1HD PHE 98 3.437 -1.453 -2.656 769 HE1 PHE 98 2HE PHE 98 7.682 -0.364 -4.877 770 HE2 PHE 98 1HE PHE 98 3.990 0.895 -3.151 771 HZ PHE 98 HZ PHE 98 6.118 1.446 -4.265 772 HB2 PHE 98 2HB PHE 98 4.184 -3.689 -2.415 773 HB3 PHE 98 1HB PHE 98 5.822 -4.152 -2.879 774 H THR 99 HN THR 99 6.160 -5.743 -5.516 775 HA THR 99 HA THR 99 5.563 -8.245 -4.178 776 HB THR 99 HB THR 99 5.644 -9.088 -6.822 777 HG1 THR 99 1HG THR 99 4.294 -6.641 -6.569 778 HG21 THR 99 3HG2 THR 99 3.281 -9.705 -6.480 779 HG22 THR 99 1HG2 THR 99 3.232 -8.671 -5.052 780 HG23 THR 99 2HG2 THR 99 4.275 -10.093 -5.075 781 H ASP 100 HN ASP 100 7.256 -9.691 -4.309 782 HA ASP 100 HA ASP 100 9.432 -10.277 -4.292 783 HB2 ASP 100 2HB ASP 100 10.615 -10.363 -6.328 784 HB3 ASP 100 1HB ASP 100 8.927 -10.546 -6.734 785 H GLY 101 HN GLY 101 8.631 -7.457 -3.527 786 HA2 GLY 101 2HA GLY 101 9.938 -5.948 -2.282 787 HA3 GLY 101 1HA GLY 101 11.364 -6.494 -3.149 788 H LYS 102 HN LYS 102 9.322 -6.152 -5.617 789 HA LYS 102 HA LYS 102 10.025 -3.284 -5.874 790 HB2 LYS 102 2HB LYS 102 10.010 -5.434 -7.983 791 HB3 LYS 102 1HB LYS 102 10.104 -3.719 -8.357 792 HG2 LYS 102 2HG LYS 102 12.151 -3.614 -6.902 793 HG3 LYS 102 1HG LYS 102 12.092 -5.374 -6.822 794 HD2 LYS 102 2HD LYS 102 12.127 -3.929 -9.452 795 HD3 LYS 102 1HD LYS 102 13.617 -4.272 -8.578 796 HE2 LYS 102 2HE LYS 102 13.225 -5.994 -10.219 797 HE3 LYS 102 1HE LYS 102 13.046 -6.670 -8.602 798 HZ1 LYS 102 3HZ LYS 102 10.705 -6.684 -8.825 799 HZ2 LYS 102 1HZ LYS 102 11.330 -7.368 -10.241 800 HZ3 LYS 102 2HZ LYS 102 10.752 -5.772 -10.260 801 H LEU 103 HN LEU 103 8.730 -2.149 -7.624 802 HA LEU 103 HA LEU 103 5.921 -2.487 -6.938 803 HG LEU 103 HG LEU 103 4.985 -0.310 -9.084 804 HB2 LEU 103 2HB LEU 103 6.911 -0.263 -6.755 805 HB3 LEU 103 1HB LEU 103 7.368 -0.304 -8.447 806 HD11 LEU 103 1HD1 LEU 103 4.102 -1.399 -7.065 807 HD12 LEU 103 2HD1 LEU 103 3.265 0.108 -7.431 808 HD13 LEU 103 3HD1 LEU 103 4.462 0.057 -6.137 809 HD21 LEU 103 3HD2 LEU 103 4.518 2.005 -8.459 810 HD22 LEU 103 1HD2 LEU 103 6.208 1.797 -8.918 811 HD23 LEU 103 2HD2 LEU 103 5.767 1.925 -7.215 812 H ARG 104 HN ARG 104 4.378 -3.184 -8.314 813 HA ARG 104 HA ARG 104 5.227 -3.813 -11.053 814 HE ARG 104 HE ARG 104 6.800 -7.431 -9.549 815 HB2 ARG 104 2HB ARG 104 2.970 -4.889 -9.366 816 HB3 ARG 104 1HB ARG 104 3.167 -5.265 -11.074 817 HG2 ARG 104 2HG ARG 104 5.189 -5.851 -8.920 818 HG3 ARG 104 1HG ARG 104 4.078 -7.022 -9.635 819 HD2 ARG 104 2HD ARG 104 5.125 -6.893 -11.733 820 HD3 ARG 104 1HD ARG 104 5.989 -5.419 -11.300 821 HH11 ARG 104 1HH1 ARG 104 6.942 -6.734 -12.970 822 HH12 ARG 104 2HH1 ARG 104 8.486 -7.487 -13.192 823 HH21 ARG 104 1HH2 ARG 104 8.829 -8.433 -9.824 824 HH22 ARG 104 2HH2 ARG 104 9.571 -8.433 -11.409 825 H GLY 105 HN GLY 105 3.014 -1.864 -9.227 826 HA2 GLY 105 2HA GLY 105 2.624 0.097 -11.014 827 HA3 GLY 105 1HA GLY 105 1.480 -1.116 -11.571 828 H ALA 106 HN ALA 106 0.317 1.110 -10.973 829 HA ALA 106 HA ALA 106 -0.668 0.881 -8.209 830 HB1 ALA 106 1HB ALA 106 -1.580 3.126 -8.524 831 HB2 ALA 106 2HB ALA 106 -1.002 3.134 -10.193 832 HB3 ALA 106 3HB ALA 106 0.153 3.097 -8.858 833 H LEU 107 HN LEU 107 -2.930 0.794 -7.823 834 HA LEU 107 HA LEU 107 -4.433 -0.188 -10.156 835 HG LEU 107 HG LEU 107 -4.834 -3.440 -8.636 836 HB2 LEU 107 2HB LEU 107 -3.872 -1.434 -7.617 837 HB3 LEU 107 1HB LEU 107 -5.602 -1.273 -7.854 838 HD11 LEU 107 1HD1 LEU 107 -5.611 -1.612 -10.905 839 HD12 LEU 107 2HD1 LEU 107 -6.713 -2.426 -9.794 840 HD13 LEU 107 3HD1 LEU 107 -5.732 -3.372 -10.913 841 HD21 LEU 107 3HD2 LEU 107 -3.312 -3.638 -10.542 842 HD22 LEU 107 1HD2 LEU 107 -2.528 -2.850 -9.173 843 HD23 LEU 107 2HD2 LEU 107 -3.083 -1.889 -10.543 844 H SER 108 HN SER 108 -5.517 1.657 -10.644 845 HA SER 108 HA SER 108 -7.448 2.604 -8.652 846 HG SER 108 HG SER 108 -6.163 4.673 -8.957 847 HB2 SER 108 2HB SER 108 -6.921 3.595 -11.475 848 HB3 SER 108 1HB SER 108 -8.009 4.341 -10.306 849 H GLY 109 HN GLY 109 -8.299 0.350 -8.746 850 HA2 GLY 109 2HA GLY 109 -9.530 -0.560 -11.185 851 HA3 GLY 109 1HA GLY 109 -9.588 -1.358 -9.620 852 H ILE 110 HN ILE 110 -11.237 0.571 -11.858 853 HA ILE 110 HA ILE 110 -13.210 1.581 -10.019 854 HB ILE 110 HB ILE 110 -14.391 2.364 -12.040 855 HG12 ILE 110 2HG1 ILE 110 -12.066 1.151 -13.555 856 HG13 ILE 110 1HG1 ILE 110 -13.698 0.491 -13.528 857 HG21 ILE 110 1HG2 ILE 110 -12.707 3.770 -10.996 858 HG22 ILE 110 2HG2 ILE 110 -12.700 3.991 -12.743 859 HG23 ILE 110 3HG2 ILE 110 -11.447 3.017 -11.975 860 HD11 ILE 110 3HD1 ILE 110 -12.890 3.175 -14.626 861 HD12 ILE 110 1HD1 ILE 110 -14.532 2.532 -14.585 862 HD13 ILE 110 2HD1 ILE 110 -13.299 1.737 -15.564 863 H HIS 111 HN HIS 111 -15.597 1.223 -10.985 864 HA HIS 111 HA HIS 111 -17.384 -0.158 -11.191 865 HD1 HIS 111 1HD HIS 111 -14.927 -1.390 -14.613 866 HD2 HIS 111 2HD HIS 111 -18.823 -0.626 -13.356 867 HE1 HIS 111 1HE HIS 111 -16.115 -0.408 -16.609 868 HE2 HIS 111 2HE HIS 111 -18.508 -0.116 -15.865 869 HB2 HIS 111 2HB HIS 111 -15.287 -2.029 -12.256 870 HB3 HIS 111 1HB HIS 111 -16.932 -2.588 -11.979 871 HA PRO 112 HA PRO 112 -17.627 -1.981 -7.211 872 HB2 PRO 112 2HB PRO 112 -19.966 -3.326 -7.413 873 HB3 PRO 112 1HB PRO 112 -19.886 -1.561 -7.368 874 HG2 PRO 112 2HG PRO 112 -20.169 -3.382 -9.727 875 HG3 PRO 112 1HG PRO 112 -21.041 -1.881 -9.365 876 HD2 PRO 112 2HD PRO 112 -18.954 -1.979 -11.088 877 HD3 PRO 112 1HD PRO 112 -19.310 -0.550 -10.098 878 H TRP 113 HN TRP 113 -15.723 -3.337 -8.337 879 HA TRP 113 HA TRP 113 -14.556 -5.266 -8.063 880 HD1 TRP 113 1HD TRP 113 -15.854 -8.700 -8.286 881 HE1 TRP 113 1HE TRP 113 -14.307 -10.450 -7.182 882 HE3 TRP 113 3HE TRP 113 -14.317 -5.967 -4.269 883 HZ2 TRP 113 2HZ TRP 113 -12.642 -10.618 -4.899 884 HZ3 TRP 113 3HZ TRP 113 -12.748 -6.985 -2.662 885 HH2 TRP 113 2HH TRP 113 -11.928 -9.265 -2.975 886 HB2 TRP 113 2HB TRP 113 -15.895 -5.555 -5.984 887 HB3 TRP 113 1HB TRP 113 -17.087 -6.450 -6.917 888 H ALA 114 HN ALA 114 -14.000 -6.151 -9.889 889 HA ALA 114 HA ALA 114 -15.261 -8.388 -10.982 890 HB1 ALA 114 1HB ALA 114 -15.733 -5.911 -12.638 891 HB2 ALA 114 2HB ALA 114 -16.971 -6.804 -11.757 892 HB3 ALA 114 3HB ALA 114 -16.124 -7.566 -13.102 893 H GLU 115 HN GLU 115 -13.736 -5.586 -12.519 894 HA GLU 115 HA GLU 115 -12.239 -7.266 -14.277 895 HB2 GLU 115 2HB GLU 115 -11.312 -5.114 -15.127 896 HB3 GLU 115 1HB GLU 115 -13.068 -5.178 -15.101 897 HG2 GLU 115 2HG GLU 115 -13.038 -3.898 -12.982 898 HG3 GLU 115 1HG GLU 115 -11.287 -3.756 -13.132 899 H LEU 116 HN LEU 116 -11.526 -5.613 -11.322 900 HA LEU 116 HA LEU 116 -8.761 -5.357 -11.434 901 HG LEU 116 HG LEU 116 -7.709 -4.941 -9.187 902 HB2 LEU 116 2HB LEU 116 -10.259 -4.421 -9.701 903 HB3 LEU 116 1HB LEU 116 -10.491 -6.022 -9.050 904 HD11 LEU 116 1HD1 LEU 116 -8.013 -3.887 -7.004 905 HD12 LEU 116 2HD1 LEU 116 -9.739 -4.239 -7.068 906 HD13 LEU 116 3HD1 LEU 116 -9.024 -3.115 -8.224 907 HD21 LEU 116 3HD2 LEU 116 -8.133 -7.257 -8.495 908 HD22 LEU 116 1HD2 LEU 116 -9.195 -6.676 -7.214 909 HD23 LEU 116 2HD2 LEU 116 -7.473 -6.294 -7.174 910 H LEU 117 HN LEU 117 -10.714 -8.141 -10.591 911 HA LEU 117 HA LEU 117 -8.716 -9.756 -9.489 912 HG LEU 117 HG LEU 117 -12.017 -11.247 -8.699 913 HB2 LEU 117 2HB LEU 117 -11.297 -10.404 -10.885 914 HB3 LEU 117 1HB LEU 117 -10.240 -11.669 -10.291 915 HD11 LEU 117 1HD1 LEU 117 -10.678 -10.815 -6.702 916 HD12 LEU 117 2HD1 LEU 117 -9.366 -10.209 -7.711 917 HD13 LEU 117 3HD1 LEU 117 -9.847 -11.903 -7.814 918 HD21 LEU 117 3HD2 LEU 117 -12.509 -8.929 -9.279 919 HD22 LEU 117 1HD2 LEU 117 -10.971 -8.420 -8.583 920 HD23 LEU 117 2HD2 LEU 117 -12.225 -9.103 -7.547 921 H THR 118 HN THR 118 -9.884 -9.594 -12.845 922 HA THR 118 HA THR 118 -8.216 -11.571 -13.902 923 HB THR 118 HB THR 118 -9.230 -9.107 -15.332 924 HG1 THR 118 1HG THR 118 -10.477 -11.630 -14.820 925 HG21 THR 118 3HG2 THR 118 -9.180 -10.532 -17.322 926 HG22 THR 118 1HG2 THR 118 -8.540 -11.865 -16.359 927 HG23 THR 118 2HG2 THR 118 -7.575 -10.407 -16.598 928 H LEU 119 HN LEU 119 -7.751 -8.064 -13.612 929 HA LEU 119 HA LEU 119 -5.292 -8.059 -15.034 930 HG LEU 119 HG LEU 119 -6.524 -4.620 -15.391 931 HB2 LEU 119 2HB LEU 119 -6.766 -6.050 -13.390 932 HB3 LEU 119 1HB LEU 119 -5.095 -5.742 -13.816 933 HD11 LEU 119 1HD1 LEU 119 -5.768 -5.638 -17.500 934 HD12 LEU 119 2HD1 LEU 119 -5.255 -7.067 -16.602 935 HD13 LEU 119 3HD1 LEU 119 -4.479 -5.512 -16.304 936 HD21 LEU 119 3HD2 LEU 119 -8.097 -5.811 -16.824 937 HD22 LEU 119 1HD2 LEU 119 -8.535 -5.981 -15.123 938 HD23 LEU 119 2HD2 LEU 119 -7.751 -7.314 -15.971 939 H MET 120 HN MET 120 -6.041 -7.845 -11.537 940 HA MET 120 HA MET 120 -3.283 -7.635 -10.850 941 HB2 MET 120 2HB MET 120 -5.742 -8.164 -9.221 942 HB3 MET 120 1HB MET 120 -4.139 -8.227 -8.502 943 HG2 MET 120 2HG MET 120 -3.785 -5.899 -9.427 944 HG3 MET 120 1HG MET 120 -5.514 -5.880 -9.766 945 HE1 MET 120 3HE MET 120 -3.741 -6.303 -5.525 946 HE2 MET 120 1HE MET 120 -2.757 -6.101 -6.974 947 HE3 MET 120 2HE MET 120 -3.681 -7.584 -6.735 948 H ARG 121 HN ARG 121 -5.352 -10.419 -11.360 949 HA ARG 121 HA ARG 121 -3.806 -12.276 -9.908 950 HE ARG 121 HE ARG 121 -8.075 -14.920 -8.911 951 HB2 ARG 121 2HB ARG 121 -5.988 -12.372 -11.832 952 HB3 ARG 121 1HB ARG 121 -4.882 -13.723 -11.991 953 HG2 ARG 121 2HG ARG 121 -5.140 -14.029 -9.482 954 HG3 ARG 121 1HG ARG 121 -6.498 -12.909 -9.605 955 HD2 ARG 121 2HD ARG 121 -7.573 -14.379 -11.224 956 HD3 ARG 121 1HD ARG 121 -6.207 -15.491 -11.128 957 HH11 ARG 121 1HH1 ARG 121 -5.843 -17.053 -10.572 958 HH12 ARG 121 2HH1 ARG 121 -6.104 -18.389 -9.486 959 HH21 ARG 121 1HH2 ARG 121 -8.396 -16.648 -7.452 960 HH22 ARG 121 2HH2 ARG 121 -7.564 -18.155 -7.717 961 H SER 122 HN SER 122 -3.587 -11.072 -13.197 962 HA SER 122 HA SER 122 -1.565 -12.845 -14.067 963 HG SER 122 HG SER 122 -0.940 -12.271 -16.337 964 HB2 SER 122 2HB SER 122 -2.959 -11.454 -15.587 965 HB3 SER 122 1HB SER 122 -2.100 -10.022 -15.025 966 H ILE 123 HN ILE 123 -1.511 -9.962 -12.129 967 HA ILE 123 HA ILE 123 1.205 -9.244 -12.535 968 HB ILE 123 HB ILE 123 -0.647 -8.577 -10.242 969 HG12 ILE 123 2HG1 ILE 123 0.101 -7.005 -12.719 970 HG13 ILE 123 1HG1 ILE 123 -1.440 -7.811 -12.447 971 HG21 ILE 123 1HG2 ILE 123 1.984 -7.338 -11.034 972 HG22 ILE 123 2HG2 ILE 123 1.671 -8.288 -9.582 973 HG23 ILE 123 3HG2 ILE 123 0.895 -6.718 -9.794 974 HD11 ILE 123 3HD1 ILE 123 -1.893 -6.323 -10.572 975 HD12 ILE 123 1HD1 ILE 123 -1.596 -5.417 -12.056 976 HD13 ILE 123 2HD1 ILE 123 -0.339 -5.528 -10.824 977 H VAL 124 HN VAL 124 -0.406 -11.346 -10.200 978 HA VAL 124 HA VAL 124 1.879 -11.491 -8.462 979 HB VAL 124 HB VAL 124 0.574 -13.147 -7.193 980 HG11 VAL 124 1HG1 VAL 124 -1.232 -11.631 -6.522 981 HG12 VAL 124 2HG1 VAL 124 -0.959 -10.670 -7.976 982 HG13 VAL 124 3HG1 VAL 124 0.295 -10.775 -6.738 983 HG21 VAL 124 3HG2 VAL 124 -1.721 -13.671 -7.839 984 HG22 VAL 124 1HG2 VAL 124 -0.581 -14.226 -9.067 985 HG23 VAL 124 2HG2 VAL 124 -1.521 -12.756 -9.334 986 H ASP 125 HN ASP 125 2.279 -12.379 -11.212 987 HA ASP 125 HA ASP 125 2.676 -15.220 -11.169 988 HB2 ASP 125 2HB ASP 125 2.323 -14.116 -13.292 989 HB3 ASP 125 1HB ASP 125 3.690 -13.043 -13.013 990 H THR 126 HN THR 126 4.266 -12.583 -9.844 991 HA THR 126 HA THR 126 6.974 -13.257 -10.053 992 HB THR 126 HB THR 126 7.130 -11.890 -7.874 993 HG1 THR 126 1HG THR 126 5.218 -11.719 -6.956 994 HG21 THR 126 3HG2 THR 126 7.530 -10.957 -10.116 995 HG22 THR 126 1HG2 THR 126 6.716 -9.796 -9.068 996 HG23 THR 126 2HG2 THR 126 5.800 -10.667 -10.297 997 HA PRO 127 HA PRO 127 6.947 -16.695 -7.204 998 HB2 PRO 127 2HB PRO 127 9.377 -17.647 -7.836 999 HB3 PRO 127 1HB PRO 127 8.002 -17.788 -8.936 1000 HG2 PRO 127 2HG PRO 127 10.362 -16.011 -9.081 1001 HG3 PRO 127 1HG PRO 127 9.341 -16.637 -10.385 1002 HD2 PRO 127 2HD PRO 127 9.225 -14.059 -9.164 1003 HD3 PRO 127 1HD PRO 127 8.139 -14.720 -10.399 1004 H ALA 128 HN ALA 128 7.288 -16.567 -5.080 1005 HA ALA 128 HA ALA 128 9.684 -15.161 -4.102 1006 HB1 ALA 128 1HB ALA 128 8.552 -14.983 -1.963 1007 HB2 ALA 128 2HB ALA 128 7.202 -15.937 -2.575 1008 HB3 ALA 128 3HB ALA 128 7.528 -14.340 -3.246 1009 H ALA 129 HN ALA 129 8.535 -18.190 -4.750 1010 HA ALA 129 HA ALA 129 9.276 -20.292 -4.346 1011 HB1 ALA 129 1HB ALA 129 11.536 -20.617 -3.488 1012 HB2 ALA 129 2HB ALA 129 11.603 -18.924 -3.000 1013 HB3 ALA 129 3HB ALA 129 11.499 -19.347 -4.710 1014 H GLN 130 HN GLN 130 10.494 -21.498 -2.176 1015 HA GLN 130 HA GLN 130 8.594 -20.882 -0.024 1016 HB2 GLN 130 2HB GLN 130 8.946 -23.409 0.538 1017 HB3 GLN 130 1HB GLN 130 7.818 -22.930 -0.718 1018 HG2 GLN 130 2HG GLN 130 8.935 -24.689 -1.686 1019 HG3 GLN 130 1HG GLN 130 9.800 -23.297 -2.327 1020 HE21 GLN 130 1HE2 GLN 130 10.152 -24.544 0.932 1021 HE22 GLN 130 2HE2 GLN 130 11.786 -25.077 0.746 1022 H GLU 131 HN GLU 131 9.414 -20.261 1.806 1023 HA GLU 131 HA GLU 131 11.778 -21.499 2.882 1024 HB2 GLU 131 2HB GLU 131 12.887 -19.255 3.314 1025 HB3 GLU 131 1HB GLU 131 12.967 -19.873 1.672 1026 HG2 GLU 131 2HG GLU 131 11.141 -18.389 1.024 1027 HG3 GLU 131 1HG GLU 131 11.068 -17.767 2.673 1028 H THR 132 HN THR 132 8.983 -19.466 3.198 1029 HA THR 132 HA THR 132 9.278 -19.470 6.106 1030 HB THR 132 HB THR 132 8.512 -17.368 5.183 1031 HG1 THR 132 1HG THR 132 7.610 -17.920 7.195 1032 HG21 THR 132 3HG2 THR 132 7.473 -18.131 3.120 1033 HG22 THR 132 1HG2 THR 132 6.341 -17.149 4.051 1034 HG23 THR 132 2HG2 THR 132 6.182 -18.906 4.038 1035 H VAL 133 HN VAL 133 8.557 -21.137 7.215 1036 HA VAL 133 HA VAL 133 6.514 -22.854 5.969 1037 HB VAL 133 HB VAL 133 7.404 -24.689 7.383 1038 HG11 VAL 133 1HG1 VAL 133 9.420 -23.352 5.586 1039 HG12 VAL 133 2HG1 VAL 133 8.133 -24.445 5.079 1040 HG13 VAL 133 3HG1 VAL 133 9.452 -25.043 6.085 1041 HG21 VAL 133 3HG2 VAL 133 8.378 -23.343 9.178 1042 HG22 VAL 133 1HG2 VAL 133 9.584 -22.710 8.058 1043 HG23 VAL 133 2HG2 VAL 133 9.581 -24.424 8.475 1044 H GLN 134 HN GLN 134 4.842 -23.675 7.162 1045 HA GLN 134 HA GLN 134 3.169 -23.707 8.677 1046 HB2 GLN 134 2HB GLN 134 4.953 -24.652 10.116 1047 HB3 GLN 134 1HB GLN 134 5.318 -23.030 10.692 1048 HG2 GLN 134 2HG GLN 134 3.064 -22.855 11.622 1049 HG3 GLN 134 1HG GLN 134 2.703 -24.483 11.050 1050 HE21 GLN 134 1HE2 GLN 134 2.309 -25.271 13.088 1051 HE22 GLN 134 2HE2 GLN 134 3.569 -25.541 14.246 1052 H LEU 135 HN LEU 135 2.027 -21.968 7.872 1053 HA LEU 135 HA LEU 135 2.542 -19.386 9.164 1054 HG LEU 135 HG LEU 135 0.987 -21.241 6.414 1055 HB2 LEU 135 2HB LEU 135 1.135 -18.416 7.355 1056 HB3 LEU 135 1HB LEU 135 2.609 -19.177 6.797 1057 HD11 LEU 135 1HD1 LEU 135 -0.992 -20.181 7.344 1058 HD12 LEU 135 2HD1 LEU 135 -1.208 -20.522 5.627 1059 HD13 LEU 135 3HD1 LEU 135 -0.864 -18.877 6.163 1060 HD21 LEU 135 3HD2 LEU 135 2.342 -20.171 4.708 1061 HD22 LEU 135 1HD2 LEU 135 1.168 -18.862 4.574 1062 HD23 LEU 135 2HD2 LEU 135 0.720 -20.503 4.104 1063 H GLU 136 HN GLU 136 1.151 -18.453 10.453 1064 HA GLU 136 HA GLU 136 -0.639 -17.987 11.719 1065 HB2 GLU 136 2HB GLU 136 -1.849 -17.772 9.613 1066 HB3 GLU 136 1HB GLU 136 -2.210 -19.495 9.631 1067 HG2 GLU 136 2HG GLU 136 -3.545 -19.245 11.619 1068 HG3 GLU 136 1HG GLU 136 -3.095 -17.547 11.746 1069 H HIS 137 HN HIS 137 -0.415 -18.929 13.619 1070 HA HIS 137 HA HIS 137 -2.199 -21.187 14.050 1071 HD1 HIS 137 1HD HIS 137 -1.923 -23.944 14.669 1072 HD2 HIS 137 2HD HIS 137 0.286 -22.112 17.685 1073 HE1 HIS 137 1HE HIS 137 -2.339 -25.306 16.743 1074 HE2 HIS 137 2HE HIS 137 -0.890 -24.262 18.516 1075 HB2 HIS 137 2HB HIS 137 0.033 -22.236 13.882 1076 HB3 HIS 137 1HB HIS 137 0.627 -21.165 15.147 1077 H HIS 138 HN HIS 138 -3.589 -19.658 14.939 1078 HA HIS 138 HA HIS 138 -2.650 -18.031 17.163 1079 HD1 HIS 138 1HD HIS 138 -5.914 -16.090 14.394 1080 HD2 HIS 138 2HD HIS 138 -1.947 -16.441 15.607 1081 HE1 HIS 138 1HE HIS 138 -4.619 -14.451 12.983 1082 HE2 HIS 138 2HE HIS 138 -2.254 -14.561 13.852 1083 HB2 HIS 138 2HB HIS 138 -5.357 -18.237 15.827 1084 HB3 HIS 138 1HB HIS 138 -4.995 -17.151 17.163 1085 H HIS 139 HN HIS 139 -3.870 -18.021 19.232 1086 HA HIS 139 HA HIS 139 -5.193 -20.501 19.926 1087 HD1 HIS 139 1HD HIS 139 -2.817 -20.380 23.579 1088 HD2 HIS 139 2HD HIS 139 -4.515 -23.225 21.060 1089 HE1 HIS 139 1HE HIS 139 -3.550 -22.269 25.077 1090 HE2 HIS 139 2HE HIS 139 -4.537 -23.998 23.530 1091 HB2 HIS 139 2HB HIS 139 -2.788 -21.105 20.015 1092 HB3 HIS 139 1HB HIS 139 -2.524 -19.811 21.177 1093 H HIS 140 HN HIS 140 -6.268 -20.431 21.886 1094 HA HIS 140 HA HIS 140 -7.117 -19.662 23.841 1095 HD1 HIS 140 1HD HIS 140 -5.129 -18.979 26.852 1096 HD2 HIS 140 2HD HIS 140 -7.568 -16.106 25.084 1097 HE1 HIS 140 1HE HIS 140 -6.325 -17.835 28.748 1098 HE2 HIS 140 2HE HIS 140 -7.952 -16.265 27.639 1099 HB2 HIS 140 2HB HIS 140 -4.807 -18.895 24.411 1100 HB3 HIS 140 1HB HIS 140 -5.185 -17.341 23.677 1101 H HIS 141 HN HIS 141 -9.112 -19.241 23.191 1102 HA HIS 141 HA HIS 141 -9.717 -16.522 22.240 1103 HD1 HIS 141 1HD HIS 141 -11.666 -16.047 19.930 1104 HD2 HIS 141 2HD HIS 141 -13.863 -18.075 22.817 1105 HE1 HIS 141 1HE HIS 141 -13.977 -15.066 19.837 1106 HE2 HIS 141 2HE HIS 141 -15.338 -16.506 21.389 1107 HB2 HIS 141 2HB HIS 141 -10.591 -18.295 20.805 1108 HB3 HIS 141 1HB HIS 141 -11.373 -19.059 22.181 1109 H HIS 142 HN HIS 142 -10.400 -18.937 24.683 1110 HA HIS 142 HA HIS 142 -10.865 -16.907 26.644 1111 HD1 HIS 142 1HD HIS 142 -13.847 -19.510 28.303 1112 HD2 HIS 142 2HD HIS 142 -13.229 -15.403 28.004 1113 HE1 HIS 142 1HE HIS 142 -14.666 -18.536 30.474 1114 HE2 HIS 142 2HE HIS 142 -14.330 -16.043 30.260 1115 HB2 HIS 142 2HB HIS 142 -13.130 -17.059 25.650 1116 HB3 HIS 142 1HB HIS 142 -13.154 -18.786 25.987 Start of MODEL 7 1 HA MET 1 HA MET 1 3.969 23.530 9.489 2 H1 MET 1 1HT MET 1 5.901 24.547 10.469 3 H2 MET 1 2HT MET 1 6.301 23.101 11.262 4 H3 MET 1 3HT MET 1 4.884 23.931 11.683 5 HB2 MET 1 2HB MET 1 6.068 23.408 8.253 6 HB3 MET 1 1HB MET 1 6.529 21.952 9.123 7 HG2 MET 1 2HG MET 1 4.647 20.759 8.109 8 HG3 MET 1 1HG MET 1 4.209 22.219 7.223 9 HE1 MET 1 3HE MET 1 4.708 19.362 5.890 10 HE2 MET 1 1HE MET 1 5.653 19.800 4.464 11 HE3 MET 1 2HE MET 1 4.270 20.784 4.942 12 H ALA 2 HN ALA 2 2.400 22.600 10.748 13 HA ALA 2 HA ALA 2 2.866 19.790 11.493 14 HB1 ALA 2 1HB ALA 2 1.599 20.117 13.546 15 HB2 ALA 2 2HB ALA 2 1.393 21.826 13.164 16 HB3 ALA 2 3HB ALA 2 3.001 21.184 13.498 17 H ASN 3 HN ASN 3 1.538 18.529 10.414 18 HA ASN 3 HA ASN 3 -1.112 19.504 9.638 19 HB2 ASN 3 2HB ASN 3 0.232 18.396 7.893 20 HB3 ASN 3 1HB ASN 3 0.332 16.944 8.884 21 HD21 ASN 3 1HD2 ASN 3 -0.648 15.651 7.386 22 HD22 ASN 3 2HD2 ASN 3 -2.326 15.773 6.987 23 H ASP 4 HN ASP 4 -1.914 19.510 11.797 24 HA ASP 4 HA ASP 4 -1.942 16.979 13.241 25 HB2 ASP 4 2HB ASP 4 -1.358 19.017 14.476 26 HB3 ASP 4 1HB ASP 4 -2.914 19.726 14.060 27 H THR 5 HN THR 5 -3.607 15.654 13.272 28 HA THR 5 HA THR 5 -6.117 16.542 12.058 29 HB THR 5 HB THR 5 -6.549 13.944 12.277 30 HG1 THR 5 1HG THR 5 -4.734 13.275 13.340 31 HG21 THR 5 3HG2 THR 5 -4.647 15.117 10.245 32 HG22 THR 5 1HG2 THR 5 -6.408 15.182 10.170 33 HG23 THR 5 2HG2 THR 5 -5.577 13.631 10.054 34 HA PRO 6 HA PRO 6 -7.563 16.615 16.349 35 HB2 PRO 6 2HB PRO 6 -9.725 18.157 15.903 36 HB3 PRO 6 1HB PRO 6 -8.093 18.833 15.970 37 HG2 PRO 6 2HG PRO 6 -9.769 18.162 13.586 38 HG3 PRO 6 1HG PRO 6 -8.740 19.578 13.868 39 HD2 PRO 6 2HD PRO 6 -7.983 17.424 12.359 40 HD3 PRO 6 1HD PRO 6 -6.841 18.479 13.212 41 H PHE 7 HN PHE 7 -9.048 15.508 13.476 42 HA PHE 7 HA PHE 7 -10.857 13.807 15.040 43 HD1 PHE 7 1HD PHE 7 -13.401 13.954 15.344 44 HD2 PHE 7 2HD PHE 7 -12.753 13.470 11.164 45 HE1 PHE 7 1HE PHE 7 -15.331 12.433 15.224 46 HE2 PHE 7 2HE PHE 7 -14.679 11.948 11.039 47 HZ PHE 7 HZ PHE 7 -15.970 11.427 13.069 48 HB2 PHE 7 2HB PHE 7 -12.096 15.639 13.850 49 HB3 PHE 7 1HB PHE 7 -11.485 15.002 12.328 50 H SER 8 HN SER 8 -9.351 12.141 14.970 51 HA SER 8 HA SER 8 -8.672 11.127 12.288 52 HG SER 8 HG SER 8 -6.492 10.370 15.515 53 HB2 SER 8 2HB SER 8 -6.657 10.124 13.448 54 HB3 SER 8 1HB SER 8 -6.668 11.886 13.342 55 H ALA 9 HN ALA 9 -10.948 10.560 14.216 56 HA ALA 9 HA ALA 9 -10.785 8.094 15.425 57 HB1 ALA 9 1HB ALA 9 -13.185 9.163 13.941 58 HB2 ALA 9 2HB ALA 9 -12.719 9.619 15.578 59 HB3 ALA 9 3HB ALA 9 -13.193 7.958 15.228 60 H LEU 10 HN LEU 10 -11.812 8.723 12.068 61 HA LEU 10 HA LEU 10 -12.162 6.036 11.334 62 HG LEU 10 HG LEU 10 -14.123 7.072 10.193 63 HB2 LEU 10 2HB LEU 10 -11.502 8.452 9.645 64 HB3 LEU 10 1HB LEU 10 -11.897 6.882 8.978 65 HD11 LEU 10 1HD1 LEU 10 -13.262 9.951 10.418 66 HD12 LEU 10 2HD1 LEU 10 -13.550 8.839 11.755 67 HD13 LEU 10 3HD1 LEU 10 -14.888 9.336 10.718 68 HD21 LEU 10 3HD2 LEU 10 -13.893 7.347 7.790 69 HD22 LEU 10 1HD2 LEU 10 -13.476 9.048 8.011 70 HD23 LEU 10 2HD2 LEU 10 -15.088 8.471 8.439 71 H TRP 11 HN TRP 11 -9.366 8.157 11.169 72 HA TRP 11 HA TRP 11 -7.643 6.504 9.702 73 HD1 TRP 11 1HD TRP 11 -4.928 8.607 12.899 74 HE1 TRP 11 1HE TRP 11 -2.536 7.899 12.279 75 HE3 TRP 11 3HE TRP 11 -5.795 6.874 8.160 76 HZ2 TRP 11 2HZ TRP 11 -1.193 6.746 10.077 77 HZ3 TRP 11 3HZ TRP 11 -3.901 5.979 6.871 78 HH2 TRP 11 2HH TRP 11 -1.649 5.920 7.811 79 HB2 TRP 11 2HB TRP 11 -7.056 8.785 9.964 80 HB3 TRP 11 1HB TRP 11 -7.173 8.697 11.715 81 H GLN 12 HN GLN 12 -7.964 6.921 13.216 82 HA GLN 12 HA GLN 12 -6.107 5.015 14.015 83 HB2 GLN 12 2HB GLN 12 -7.225 6.668 15.507 84 HB3 GLN 12 1HB GLN 12 -8.688 5.693 15.434 85 HG2 GLN 12 2HG GLN 12 -7.495 3.822 16.449 86 HG3 GLN 12 1HG GLN 12 -6.025 4.794 16.515 87 HE21 GLN 12 1HE2 GLN 12 -5.912 6.523 17.950 88 HE22 GLN 12 2HE2 GLN 12 -6.969 6.634 19.317 89 H ARG 13 HN ARG 13 -9.472 4.575 13.010 90 HA ARG 13 HA ARG 13 -9.727 1.904 13.919 91 HE ARG 13 HE ARG 13 -12.515 1.269 14.452 92 HB2 ARG 13 2HB ARG 13 -11.168 3.132 11.560 93 HB3 ARG 13 1HB ARG 13 -11.667 1.723 12.482 94 HG2 ARG 13 2HG ARG 13 -11.679 4.601 13.329 95 HG3 ARG 13 1HG ARG 13 -13.039 3.489 13.192 96 HD2 ARG 13 2HD ARG 13 -10.802 3.331 15.207 97 HD3 ARG 13 1HD ARG 13 -12.445 3.881 15.523 98 HH11 ARG 13 1HH1 ARG 13 -11.668 3.011 17.382 99 HH12 ARG 13 2HH1 ARG 13 -11.928 1.636 18.424 100 HH21 ARG 13 1HH2 ARG 13 -12.843 -0.530 15.816 101 HH22 ARG 13 2HH2 ARG 13 -12.581 -0.384 17.529 102 H LEU 14 HN LEU 14 -8.347 3.322 11.048 103 HA LEU 14 HA LEU 14 -8.147 0.898 9.557 104 HG LEU 14 HG LEU 14 -8.940 3.894 8.903 105 HB2 LEU 14 2HB LEU 14 -6.560 3.456 9.295 106 HB3 LEU 14 1HB LEU 14 -6.600 2.155 8.119 107 HD11 LEU 14 1HD1 LEU 14 -7.308 3.782 6.371 108 HD12 LEU 14 2HD1 LEU 14 -7.286 5.078 7.567 109 HD13 LEU 14 3HD1 LEU 14 -8.748 4.767 6.630 110 HD21 LEU 14 3HD2 LEU 14 -9.622 1.612 8.338 111 HD22 LEU 14 1HD2 LEU 14 -8.740 1.726 6.816 112 HD23 LEU 14 2HD2 LEU 14 -10.135 2.766 7.108 113 H LEU 15 HN LEU 15 -5.900 2.757 11.567 114 HA LEU 15 HA LEU 15 -3.668 1.081 11.311 115 HG LEU 15 HG LEU 15 -4.265 4.198 11.743 116 HB2 LEU 15 2HB LEU 15 -4.493 2.749 13.692 117 HB3 LEU 15 1HB LEU 15 -2.892 2.093 13.415 118 HD11 LEU 15 1HD1 LEU 15 -2.488 5.653 12.597 119 HD12 LEU 15 2HD1 LEU 15 -1.906 4.334 13.612 120 HD13 LEU 15 3HD1 LEU 15 -3.502 5.021 13.895 121 HD21 LEU 15 3HD2 LEU 15 -2.882 2.755 10.355 122 HD22 LEU 15 1HD2 LEU 15 -1.526 2.963 11.463 123 HD23 LEU 15 2HD2 LEU 15 -2.133 4.340 10.543 124 H THR 16 HN THR 16 -6.353 1.041 13.583 125 HA THR 16 HA THR 16 -5.487 -1.022 15.257 126 HB THR 16 HB THR 16 -8.344 -0.327 14.530 127 HG1 THR 16 1HG THR 16 -7.311 1.515 15.302 128 HG21 THR 16 3HG2 THR 16 -8.893 -1.213 16.745 129 HG22 THR 16 1HG2 THR 16 -7.200 -1.637 17.002 130 HG23 THR 16 2HG2 THR 16 -8.133 -2.452 15.745 131 H ARG 17 HN ARG 17 -6.757 -1.107 12.036 132 HA ARG 17 HA ARG 17 -7.630 -3.851 12.170 133 HE ARG 17 HE ARG 17 -10.187 -1.518 9.685 134 HB2 ARG 17 2HB ARG 17 -8.568 -1.966 10.682 135 HB3 ARG 17 1HB ARG 17 -7.185 -2.278 9.645 136 HG2 ARG 17 2HG ARG 17 -7.918 -4.468 9.157 137 HG3 ARG 17 1HG ARG 17 -9.115 -4.432 10.454 138 HD2 ARG 17 2HD ARG 17 -9.147 -2.807 7.913 139 HD3 ARG 17 1HD ARG 17 -10.225 -4.140 8.329 140 HH11 ARG 17 1HH1 ARG 17 -11.846 -4.455 8.734 141 HH12 ARG 17 2HH1 ARG 17 -13.394 -3.920 9.315 142 HH21 ARG 17 1HH2 ARG 17 -12.225 -0.809 10.458 143 HH22 ARG 17 2HH2 ARG 17 -13.615 -1.832 10.282 144 H GLY 18 HN GLY 18 -4.659 -2.653 12.342 145 HA2 GLY 18 2HA GLY 18 -2.787 -4.081 12.452 146 HA3 GLY 18 1HA GLY 18 -3.558 -5.147 11.290 147 H TRP 19 HN TRP 19 -3.488 -1.758 10.636 148 HA TRP 19 HA TRP 19 -1.635 -2.277 8.425 149 HD1 TRP 19 1HD TRP 19 -3.497 -3.573 8.067 150 HE1 TRP 19 1HE TRP 19 -5.554 -4.283 6.716 151 HE3 TRP 19 3HE TRP 19 -5.202 1.053 6.723 152 HZ2 TRP 19 2HZ TRP 19 -7.624 -3.042 5.241 153 HZ3 TRP 19 3HZ TRP 19 -7.223 1.202 5.332 154 HH2 TRP 19 2HH TRP 19 -8.402 -0.803 4.605 155 HB2 TRP 19 2HB TRP 19 -3.591 -0.010 8.869 156 HB3 TRP 19 1HB TRP 19 -2.549 -0.181 7.459 157 H GLN 20 HN GLN 20 0.301 -1.361 8.299 158 HA GLN 20 HA GLN 20 1.193 0.257 10.531 159 HB2 GLN 20 2HB GLN 20 2.642 -1.100 8.260 160 HB3 GLN 20 1HB GLN 20 3.439 -0.121 9.467 161 HG2 GLN 20 2HG GLN 20 3.760 -2.316 10.177 162 HG3 GLN 20 1HG GLN 20 2.453 -1.707 11.192 163 HE21 GLN 20 1HE2 GLN 20 1.695 -3.775 11.625 164 HE22 GLN 20 2HE2 GLN 20 0.845 -4.703 10.436 165 HA PRO 21 HA PRO 21 1.134 3.957 8.002 166 HB2 PRO 21 2HB PRO 21 2.492 5.329 10.145 167 HB3 PRO 21 1HB PRO 21 0.800 5.458 9.662 168 HG2 PRO 21 2HG PRO 21 1.645 4.351 12.025 169 HG3 PRO 21 1HG PRO 21 0.110 3.960 11.234 170 HD2 PRO 21 2HD PRO 21 2.684 2.436 11.243 171 HD3 PRO 21 1HD PRO 21 1.014 1.833 11.328 172 H VAL 22 HN VAL 22 2.568 4.314 6.433 173 HA VAL 22 HA VAL 22 5.429 4.029 7.069 174 HB VAL 22 HB VAL 22 5.754 3.600 4.625 175 HG11 VAL 22 1HG1 VAL 22 4.949 1.281 4.709 176 HG12 VAL 22 2HG1 VAL 22 3.944 1.686 6.101 177 HG13 VAL 22 3HG1 VAL 22 5.702 1.768 6.227 178 HG21 VAL 22 3HG2 VAL 22 3.706 4.632 3.792 179 HG22 VAL 22 1HG2 VAL 22 2.740 3.411 4.618 180 HG23 VAL 22 2HG2 VAL 22 3.803 2.946 3.290 181 H GLU 23 HN GLU 23 6.928 5.403 5.985 182 HA GLU 23 HA GLU 23 5.829 8.070 5.428 183 HB2 GLU 23 2HB GLU 23 8.664 7.286 6.139 184 HB3 GLU 23 1HB GLU 23 8.047 8.925 5.978 185 HG2 GLU 23 2HG GLU 23 6.627 8.623 7.901 186 HG3 GLU 23 1HG GLU 23 7.106 6.931 8.025 187 H ALA 24 HN ALA 24 7.168 9.348 3.815 188 HA ALA 24 HA ALA 24 6.953 8.123 1.314 189 HB1 ALA 24 1HB ALA 24 8.539 10.587 2.018 190 HB2 ALA 24 2HB ALA 24 6.807 10.543 1.682 191 HB3 ALA 24 3HB ALA 24 7.961 10.131 0.413 192 H SER 25 HN SER 25 9.823 8.727 3.299 193 HA SER 25 HA SER 25 11.544 7.512 1.306 194 HG SER 25 HG SER 25 12.456 8.848 4.921 195 HB2 SER 25 2HB SER 25 13.281 8.048 3.171 196 HB3 SER 25 1HB SER 25 12.539 9.386 2.293 197 H THR 26 HN THR 26 10.254 6.802 4.499 198 HA THR 26 HA THR 26 11.987 4.619 5.034 199 HB THR 26 HB THR 26 9.319 5.087 6.349 200 HG1 THR 26 1HG THR 26 10.322 6.643 7.632 201 HG21 THR 26 3HG2 THR 26 10.524 3.051 6.992 202 HG22 THR 26 1HG2 THR 26 10.476 4.205 8.324 203 HG23 THR 26 2HG2 THR 26 11.949 4.014 7.376 204 H VAL 27 HN VAL 27 8.985 4.906 3.306 205 HA VAL 27 HA VAL 27 8.026 2.278 3.584 206 HB VAL 27 HB VAL 27 6.680 4.132 2.645 207 HG11 VAL 27 1HG1 VAL 27 8.366 3.745 0.179 208 HG12 VAL 27 2HG1 VAL 27 8.329 5.173 1.209 209 HG13 VAL 27 3HG1 VAL 27 6.902 4.721 0.277 210 HG21 VAL 27 3HG2 VAL 27 6.912 1.704 0.872 211 HG22 VAL 27 1HG2 VAL 27 5.538 2.808 0.924 212 HG23 VAL 27 2HG2 VAL 27 5.947 1.841 2.341 213 H ASP 28 HN ASP 28 10.512 3.643 1.562 214 HA ASP 28 HA ASP 28 10.715 1.667 -0.411 215 HB2 ASP 28 2HB ASP 28 11.823 3.879 -0.511 216 HB3 ASP 28 1HB ASP 28 12.922 3.372 0.765 217 H ASP 29 HN ASP 29 12.519 2.003 2.640 218 HA ASP 29 HA ASP 29 13.859 -0.495 2.303 219 HB2 ASP 29 2HB ASP 29 14.709 1.489 3.647 220 HB3 ASP 29 1HB ASP 29 13.582 0.994 4.906 221 H TRP 30 HN TRP 30 10.932 0.557 3.872 222 HA TRP 30 HA TRP 30 10.336 -1.752 5.339 223 HD1 TRP 30 1HD TRP 30 8.117 -1.458 7.378 224 HE1 TRP 30 1HE TRP 30 5.931 -2.814 7.497 225 HE3 TRP 30 3HE TRP 30 6.692 -1.104 2.482 226 HZ2 TRP 30 2HZ TRP 30 3.869 -3.607 5.739 227 HZ3 TRP 30 3HZ TRP 30 4.597 -2.186 1.784 228 HH2 TRP 30 2HH TRP 30 3.216 -3.412 3.378 229 HB2 TRP 30 2HB TRP 30 9.002 0.315 5.492 230 HB3 TRP 30 1HB TRP 30 8.418 0.065 3.851 231 H ILE 31 HN ILE 31 9.748 -0.941 1.941 232 HA ILE 31 HA ILE 31 8.478 -3.296 1.130 233 HB ILE 31 HB ILE 31 10.349 -1.515 -0.445 234 HG12 ILE 31 2HG1 ILE 31 7.334 -1.554 -0.480 235 HG13 ILE 31 1HG1 ILE 31 8.251 -0.513 0.603 236 HG21 ILE 31 1HG2 ILE 31 8.354 -3.552 -1.427 237 HG22 ILE 31 2HG2 ILE 31 10.108 -3.695 -1.510 238 HG23 ILE 31 3HG2 ILE 31 9.281 -2.447 -2.440 239 HD11 ILE 31 3HD1 ILE 31 7.582 0.727 -1.337 240 HD12 ILE 31 1HD1 ILE 31 8.305 -0.475 -2.402 241 HD13 ILE 31 2HD1 ILE 31 9.332 0.510 -1.362 242 H LYS 32 HN LYS 32 11.893 -2.464 1.357 243 HA LYS 32 HA LYS 32 13.120 -4.737 0.392 244 HB2 LYS 32 2HB LYS 32 14.321 -2.730 1.118 245 HB3 LYS 32 1HB LYS 32 13.860 -3.022 2.780 246 HG2 LYS 32 2HG LYS 32 15.605 -4.909 1.223 247 HG3 LYS 32 1HG LYS 32 16.242 -3.552 2.139 248 HD2 LYS 32 2HD LYS 32 14.758 -5.949 3.184 249 HD3 LYS 32 1HD LYS 32 16.425 -5.491 3.512 250 HE2 LYS 32 2HE LYS 32 14.018 -3.879 4.352 251 HE3 LYS 32 1HE LYS 32 14.837 -5.046 5.387 252 HZ1 LYS 32 3HZ LYS 32 15.985 -2.541 4.267 253 HZ2 LYS 32 1HZ LYS 32 16.877 -3.715 5.119 254 HZ3 LYS 32 2HZ LYS 32 15.630 -2.873 5.892 255 H ARG 33 HN ARG 33 11.545 -4.226 3.502 256 HA ARG 33 HA ARG 33 12.596 -6.635 4.668 257 HE ARG 33 HE ARG 33 12.134 -7.559 9.170 258 HB2 ARG 33 2HB ARG 33 12.027 -4.560 5.950 259 HB3 ARG 33 1HB ARG 33 10.333 -4.899 5.656 260 HG2 ARG 33 2HG ARG 33 11.067 -5.626 7.883 261 HG3 ARG 33 1HG ARG 33 10.484 -6.967 6.892 262 HD2 ARG 33 2HD ARG 33 12.812 -7.511 6.311 263 HD3 ARG 33 1HD ARG 33 13.362 -6.212 7.366 264 HH11 ARG 33 1HH1 ARG 33 13.638 -8.992 6.361 265 HH12 ARG 33 2HH1 ARG 33 14.079 -10.464 7.177 266 HH21 ARG 33 1HH2 ARG 33 12.701 -9.488 10.266 267 HH22 ARG 33 2HH2 ARG 33 13.544 -10.740 9.405 268 H VAL 34 HN VAL 34 9.461 -5.559 3.486 269 HA VAL 34 HA VAL 34 8.234 -8.077 4.147 270 HB VAL 34 HB VAL 34 6.193 -7.152 3.119 271 HG11 VAL 34 1HG1 VAL 34 7.602 -5.325 5.061 272 HG12 VAL 34 2HG1 VAL 34 6.655 -6.757 5.465 273 HG13 VAL 34 3HG1 VAL 34 5.864 -5.351 4.755 274 HG21 VAL 34 3HG2 VAL 34 7.886 -4.708 2.588 275 HG22 VAL 34 1HG2 VAL 34 6.140 -4.825 2.372 276 HG23 VAL 34 2HG2 VAL 34 7.221 -5.790 1.363 277 H GLY 35 HN GLY 35 9.293 -6.490 1.163 278 HA2 GLY 35 2HA GLY 35 9.865 -7.465 -0.846 279 HA3 GLY 35 1HA GLY 35 9.411 -9.032 -0.188 280 H ASP 36 HN ASP 36 6.868 -8.742 0.505 281 HA ASP 36 HA ASP 36 5.479 -8.006 -1.977 282 HB2 ASP 36 2HB ASP 36 4.649 -10.278 -0.180 283 HB3 ASP 36 1HB ASP 36 4.184 -9.968 -1.841 284 H GLY 37 HN GLY 37 3.405 -7.101 -1.710 285 HA2 GLY 37 2HA GLY 37 1.712 -7.031 0.365 286 HA3 GLY 37 1HA GLY 37 2.962 -5.925 0.913 287 H VAL 38 HN VAL 38 0.849 -4.586 0.862 288 HA VAL 38 HA VAL 38 0.853 -3.120 -1.678 289 HB VAL 38 HB VAL 38 -1.618 -2.812 -1.530 290 HG11 VAL 38 1HG1 VAL 38 -2.202 -4.979 -2.485 291 HG12 VAL 38 2HG1 VAL 38 -0.698 -5.661 -1.867 292 HG13 VAL 38 3HG1 VAL 38 -0.655 -4.401 -3.101 293 HG21 VAL 38 3HG2 VAL 38 -2.939 -4.374 -0.206 294 HG22 VAL 38 1HG2 VAL 38 -1.915 -3.377 0.824 295 HG23 VAL 38 2HG2 VAL 38 -1.463 -5.047 0.487 296 H ILE 39 HN ILE 39 0.631 -0.963 -1.510 297 HA ILE 39 HA ILE 39 0.239 0.149 1.191 298 HB ILE 39 HB ILE 39 1.813 1.286 -1.134 299 HG12 ILE 39 2HG1 ILE 39 3.615 1.364 0.723 300 HG13 ILE 39 1HG1 ILE 39 2.572 0.245 1.589 301 HG21 ILE 39 1HG2 ILE 39 2.285 3.211 0.318 302 HG22 ILE 39 2HG2 ILE 39 1.141 2.582 1.501 303 HG23 ILE 39 3HG2 ILE 39 0.577 3.079 -0.092 304 HD11 ILE 39 3HD1 ILE 39 4.351 -0.904 0.386 305 HD12 ILE 39 1HD1 ILE 39 3.760 -0.224 -1.131 306 HD13 ILE 39 2HD1 ILE 39 2.758 -1.357 -0.223 307 H LEU 40 HN LEU 40 -1.612 1.202 1.476 308 HA LEU 40 HA LEU 40 -3.249 1.879 -0.835 309 HG LEU 40 HG LEU 40 -3.723 -0.180 1.644 310 HB2 LEU 40 2HB LEU 40 -3.836 2.208 2.112 311 HB3 LEU 40 1HB LEU 40 -4.983 2.436 0.806 312 HD11 LEU 40 1HD1 LEU 40 -6.562 0.809 1.795 313 HD12 LEU 40 2HD1 LEU 40 -5.454 0.625 3.156 314 HD13 LEU 40 3HD1 LEU 40 -5.993 -0.795 2.258 315 HD21 LEU 40 3HD2 LEU 40 -5.168 -1.208 -0.028 316 HD22 LEU 40 1HD2 LEU 40 -4.028 -0.093 -0.780 317 HD23 LEU 40 2HD2 LEU 40 -5.710 0.385 -0.553 318 H LEU 41 HN LEU 41 -3.089 3.828 -1.769 319 HA LEU 41 HA LEU 41 -1.734 5.981 -0.462 320 HG LEU 41 HG LEU 41 -1.128 4.714 -3.165 321 HB2 LEU 41 2HB LEU 41 -3.282 5.894 -3.036 322 HB3 LEU 41 1HB LEU 41 -2.464 7.324 -2.444 323 HD11 LEU 41 1HD1 LEU 41 -1.158 7.389 -4.553 324 HD12 LEU 41 2HD1 LEU 41 -1.917 5.902 -5.126 325 HD13 LEU 41 3HD1 LEU 41 -0.160 6.009 -5.011 326 HD21 LEU 41 3HD2 LEU 41 0.025 5.862 -1.350 327 HD22 LEU 41 1HD2 LEU 41 0.046 7.350 -2.295 328 HD23 LEU 41 2HD2 LEU 41 0.958 5.946 -2.846 329 H SER 42 HN SER 42 -2.581 8.014 0.000 330 HA SER 42 HA SER 42 -5.286 7.857 1.108 331 HG SER 42 HG SER 42 -3.361 8.010 3.710 332 HB2 SER 42 2HB SER 42 -3.083 9.800 1.803 333 HB3 SER 42 1HB SER 42 -4.526 9.454 2.735 334 H SER 43 HN SER 43 -4.934 10.895 1.467 335 HA SER 43 HA SER 43 -5.548 12.815 0.450 336 HG SER 43 HG SER 43 -3.364 12.563 -0.204 337 HB2 SER 43 2HB SER 43 -4.894 11.383 -2.138 338 HB3 SER 43 1HB SER 43 -5.212 13.109 -1.973 339 H ASP 44 HN ASP 44 -7.468 13.694 -0.046 340 HA ASP 44 HA ASP 44 -9.687 13.870 -0.527 341 HB2 ASP 44 2HB ASP 44 -9.363 12.691 -2.628 342 HB3 ASP 44 1HB ASP 44 -9.370 11.141 -1.796 343 HA PRO 45 HA PRO 45 -10.711 12.069 3.393 344 HB2 PRO 45 2HB PRO 45 -12.989 13.495 3.801 345 HB3 PRO 45 1HB PRO 45 -11.372 14.174 4.015 346 HG2 PRO 45 2HG PRO 45 -13.249 14.432 1.699 347 HG3 PRO 45 1HG PRO 45 -12.232 15.668 2.461 348 HD2 PRO 45 2HD PRO 45 -11.550 14.425 0.150 349 HD3 PRO 45 1HD PRO 45 -10.347 14.998 1.322 350 H ARG 46 HN ARG 46 -11.555 10.104 3.621 351 HA ARG 46 HA ARG 46 -13.556 9.029 1.909 352 HE ARG 46 HE ARG 46 -9.740 5.996 1.516 353 HB2 ARG 46 2HB ARG 46 -12.119 8.045 4.341 354 HB3 ARG 46 1HB ARG 46 -13.560 7.196 3.806 355 HG2 ARG 46 2HG ARG 46 -11.584 6.121 2.936 356 HG3 ARG 46 1HG ARG 46 -12.512 6.827 1.615 357 HD2 ARG 46 2HD ARG 46 -10.976 8.615 1.372 358 HD3 ARG 46 1HD ARG 46 -10.179 8.226 2.896 359 HH11 ARG 46 1HH1 ARG 46 -9.466 9.326 0.505 360 HH12 ARG 46 2HH1 ARG 46 -8.129 9.033 -0.563 361 HH21 ARG 46 1HH2 ARG 46 -7.962 5.592 0.118 362 HH22 ARG 46 2HH2 ARG 46 -7.261 6.906 -0.767 363 H ARG 47 HN ARG 47 -15.352 10.282 2.038 364 HA ARG 47 HA ARG 47 -17.065 9.841 4.369 365 HE ARG 47 HE ARG 47 -15.987 14.079 3.013 366 HB2 ARG 47 2HB ARG 47 -16.817 12.578 3.100 367 HB3 ARG 47 1HB ARG 47 -17.713 12.146 4.547 368 HG2 ARG 47 2HG ARG 47 -15.691 11.842 5.788 369 HG3 ARG 47 1HG ARG 47 -14.714 12.033 4.329 370 HD2 ARG 47 2HD ARG 47 -16.394 14.120 5.704 371 HD3 ARG 47 1HD ARG 47 -14.639 14.095 5.533 372 HH11 ARG 47 1HH1 ARG 47 -14.777 16.136 5.580 373 HH12 ARG 47 2HH1 ARG 47 -14.777 17.570 4.591 374 HH21 ARG 47 1HH2 ARG 47 -15.979 15.965 1.719 375 HH22 ARG 47 2HH2 ARG 47 -15.488 17.477 2.409 376 H THR 48 HN THR 48 -17.207 8.469 2.028 377 HA THR 48 HA THR 48 -18.072 8.171 -0.048 378 HB THR 48 HB THR 48 -20.535 8.687 -0.278 379 HG1 THR 48 1HG THR 48 -20.026 10.220 1.876 380 HG21 THR 48 3HG2 THR 48 -19.664 7.166 2.171 381 HG22 THR 48 1HG2 THR 48 -19.777 6.531 0.528 382 HG23 THR 48 2HG2 THR 48 -21.237 7.031 1.385 383 HA PRO 49 HA PRO 49 -17.502 12.624 -1.225 384 HB2 PRO 49 2HB PRO 49 -15.015 12.482 -2.282 385 HB3 PRO 49 1HB PRO 49 -15.308 12.717 -0.558 386 HG2 PRO 49 2HG PRO 49 -14.423 10.297 -2.015 387 HG3 PRO 49 1HG PRO 49 -14.074 10.803 -0.356 388 HD2 PRO 49 2HD PRO 49 -15.962 8.888 -1.165 389 HD3 PRO 49 1HD PRO 49 -15.815 9.609 0.446 390 H GLU 50 HN GLU 50 -15.458 10.810 -3.426 391 HA GLU 50 HA GLU 50 -17.315 11.453 -5.590 392 HB2 GLU 50 2HB GLU 50 -14.527 10.321 -5.843 393 HB3 GLU 50 1HB GLU 50 -15.480 11.111 -7.091 394 HG2 GLU 50 2HG GLU 50 -14.183 12.362 -4.687 395 HG3 GLU 50 1HG GLU 50 -13.819 12.645 -6.387 396 H VAL 51 HN VAL 51 -15.912 8.808 -3.846 397 HA VAL 51 HA VAL 51 -17.659 6.946 -5.298 398 HB VAL 51 HB VAL 51 -15.938 5.167 -5.027 399 HG11 VAL 51 1HG1 VAL 51 -14.500 5.883 -6.870 400 HG12 VAL 51 2HG1 VAL 51 -15.042 7.548 -6.647 401 HG13 VAL 51 3HG1 VAL 51 -16.187 6.308 -7.163 402 HG21 VAL 51 3HG2 VAL 51 -13.617 5.793 -4.560 403 HG22 VAL 51 1HG2 VAL 51 -14.670 6.159 -3.194 404 HG23 VAL 51 2HG2 VAL 51 -14.125 7.456 -4.257 405 H SER 52 HN SER 52 -17.322 4.690 -3.828 406 HA SER 52 HA SER 52 -18.406 5.446 -1.246 407 HG SER 52 HG SER 52 -18.696 1.911 -3.206 408 HB2 SER 52 2HB SER 52 -18.599 2.823 -1.142 409 HB3 SER 52 1HB SER 52 -19.695 3.756 -2.163 410 H ASP 53 HN ASP 53 -17.595 4.617 0.758 411 HA ASP 53 HA ASP 53 -14.675 4.542 0.737 412 HB2 ASP 53 2HB ASP 53 -16.339 4.500 3.240 413 HB3 ASP 53 1HB ASP 53 -14.727 5.157 2.997 414 H ASN 54 HN ASN 54 -14.283 2.402 0.042 415 HA ASN 54 HA ASN 54 -14.893 0.428 2.134 416 HB2 ASN 54 2HB ASN 54 -16.236 0.097 0.001 417 HB3 ASN 54 1HB ASN 54 -14.712 -0.281 -0.796 418 HD21 ASN 54 1HD2 ASN 54 -17.041 -1.944 -0.396 419 HD22 ASN 54 2HD2 ASN 54 -16.498 -3.333 0.482 420 HA PRO 55 HA PRO 55 -10.402 0.071 1.546 421 HB2 PRO 55 2HB PRO 55 -9.623 0.783 4.012 422 HB3 PRO 55 1HB PRO 55 -10.013 1.995 2.788 423 HG2 PRO 55 2HG PRO 55 -11.554 1.154 5.167 424 HG3 PRO 55 1HG PRO 55 -11.550 2.708 4.321 425 HD2 PRO 55 2HD PRO 55 -13.451 0.590 4.072 426 HD3 PRO 55 1HD PRO 55 -13.391 2.106 3.152 427 H VAL 56 HN VAL 56 -12.840 -1.477 3.090 428 HA VAL 56 HA VAL 56 -11.231 -3.165 4.832 429 HB VAL 56 HB VAL 56 -14.198 -3.288 4.259 430 HG11 VAL 56 1HG1 VAL 56 -13.312 -5.391 5.106 431 HG12 VAL 56 2HG1 VAL 56 -14.320 -4.603 6.318 432 HG13 VAL 56 3HG1 VAL 56 -12.564 -4.542 6.459 433 HG21 VAL 56 3HG2 VAL 56 -13.615 -1.155 5.257 434 HG22 VAL 56 1HG2 VAL 56 -12.709 -1.974 6.531 435 HG23 VAL 56 2HG2 VAL 56 -14.460 -2.164 6.432 436 H MET 57 HN MET 57 -13.032 -3.347 1.824 437 HA MET 57 HA MET 57 -12.876 -6.196 1.633 438 HB2 MET 57 2HB MET 57 -14.641 -4.629 0.624 439 HB3 MET 57 1HB MET 57 -13.466 -4.326 -0.647 440 HG2 MET 57 2HG MET 57 -13.476 -6.631 -1.290 441 HG3 MET 57 1HG MET 57 -14.490 -7.056 0.089 442 HE1 MET 57 3HE MET 57 -16.257 -8.299 -1.318 443 HE2 MET 57 1HE MET 57 -15.282 -8.040 -2.765 444 HE3 MET 57 2HE MET 57 -17.004 -7.657 -2.782 445 H ILE 58 HN ILE 58 -10.538 -3.878 1.234 446 HA ILE 58 HA ILE 58 -9.176 -4.912 -1.040 447 HB ILE 58 HB ILE 58 -8.761 -2.630 -0.053 448 HG12 ILE 58 2HG1 ILE 58 -6.287 -2.703 -0.433 449 HG13 ILE 58 1HG1 ILE 58 -6.386 -4.460 -0.472 450 HG21 ILE 58 1HG2 ILE 58 -7.164 -2.435 1.791 451 HG22 ILE 58 2HG2 ILE 58 -7.188 -4.185 1.995 452 HG23 ILE 58 3HG2 ILE 58 -8.646 -3.241 2.297 453 HD11 ILE 58 3HD1 ILE 58 -7.738 -2.564 -2.380 454 HD12 ILE 58 1HD1 ILE 58 -7.863 -4.323 -2.417 455 HD13 ILE 58 2HD1 ILE 58 -6.308 -3.542 -2.710 456 H ALA 59 HN ALA 59 -9.305 -5.748 2.342 457 HA ALA 59 HA ALA 59 -7.060 -7.492 2.394 458 HB1 ALA 59 1HB ALA 59 -8.044 -8.369 4.458 459 HB2 ALA 59 2HB ALA 59 -9.545 -7.512 4.115 460 HB3 ALA 59 3HB ALA 59 -8.068 -6.607 4.442 461 H GLU 60 HN GLU 60 -10.405 -7.812 1.473 462 HA GLU 60 HA GLU 60 -10.599 -10.607 1.271 463 HB2 GLU 60 2HB GLU 60 -12.539 -9.087 1.194 464 HB3 GLU 60 1HB GLU 60 -11.987 -8.455 -0.347 465 HG2 GLU 60 2HG GLU 60 -13.769 -9.988 -0.741 466 HG3 GLU 60 1HG GLU 60 -12.270 -10.713 -1.322 467 H LEU 61 HN LEU 61 -9.415 -8.134 -0.919 468 HA LEU 61 HA LEU 61 -9.090 -9.776 -3.199 469 HG LEU 61 HG LEU 61 -8.093 -6.709 -4.937 470 HB2 LEU 61 2HB LEU 61 -8.948 -7.123 -2.730 471 HB3 LEU 61 1HB LEU 61 -7.241 -7.500 -2.760 472 HD11 LEU 61 1HD1 LEU 61 -6.133 -8.165 -4.852 473 HD12 LEU 61 2HD1 LEU 61 -7.085 -8.445 -6.309 474 HD13 LEU 61 3HD1 LEU 61 -7.179 -9.580 -4.963 475 HD21 LEU 61 3HD2 LEU 61 -10.348 -7.612 -4.796 476 HD22 LEU 61 1HD2 LEU 61 -9.709 -9.254 -4.882 477 HD23 LEU 61 2HD2 LEU 61 -9.540 -8.170 -6.263 478 H LEU 62 HN LEU 62 -6.922 -8.793 -0.594 479 HA LEU 62 HA LEU 62 -4.587 -9.997 -1.638 480 HG LEU 62 HG LEU 62 -5.435 -7.318 -0.088 481 HB2 LEU 62 2HB LEU 62 -5.224 -9.356 1.240 482 HB3 LEU 62 1HB LEU 62 -3.630 -9.642 0.570 483 HD11 LEU 62 1HD1 LEU 62 -3.686 -6.002 1.024 484 HD12 LEU 62 2HD1 LEU 62 -2.863 -7.497 1.467 485 HD13 LEU 62 3HD1 LEU 62 -4.464 -7.145 2.118 486 HD21 LEU 62 3HD2 LEU 62 -4.103 -8.027 -2.021 487 HD22 LEU 62 1HD2 LEU 62 -2.640 -7.929 -1.043 488 HD23 LEU 62 2HD2 LEU 62 -3.567 -6.469 -1.396 489 H ARG 63 HN ARG 63 -7.069 -11.160 0.597 490 HA ARG 63 HA ARG 63 -5.603 -13.523 1.275 491 HE ARG 63 HE ARG 63 -8.343 -11.493 3.787 492 HB2 ARG 63 2HB ARG 63 -7.642 -14.232 2.426 493 HB3 ARG 63 1HB ARG 63 -7.196 -12.586 2.846 494 HG2 ARG 63 2HG ARG 63 -8.886 -11.779 1.212 495 HG3 ARG 63 1HG ARG 63 -9.389 -13.453 0.979 496 HD2 ARG 63 2HD ARG 63 -10.804 -12.225 2.597 497 HD3 ARG 63 1HD ARG 63 -10.016 -13.642 3.294 498 HH11 ARG 63 1HH1 ARG 63 -11.641 -12.356 4.573 499 HH12 ARG 63 2HH1 ARG 63 -11.600 -11.597 6.138 500 HH21 ARG 63 1HH2 ARG 63 -8.276 -10.491 5.808 501 HH22 ARG 63 2HH2 ARG 63 -9.669 -10.534 6.851 502 H GLU 64 HN GLU 64 -7.133 -12.663 -1.522 503 HA GLU 64 HA GLU 64 -8.006 -15.349 -2.191 504 HB2 GLU 64 2HB GLU 64 -8.167 -12.675 -3.532 505 HB3 GLU 64 1HB GLU 64 -8.384 -14.141 -4.470 506 HG2 GLU 64 2HG GLU 64 -10.017 -13.310 -2.085 507 HG3 GLU 64 1HG GLU 64 -10.517 -13.218 -3.774 508 H PHE 65 HN PHE 65 -5.171 -13.607 -2.119 509 HA PHE 65 HA PHE 65 -3.960 -15.387 -4.132 510 HD1 PHE 65 2HD PHE 65 -4.541 -14.793 -5.987 511 HD2 PHE 65 1HD PHE 65 -3.709 -10.801 -4.780 512 HE1 PHE 65 2HE PHE 65 -5.879 -13.949 -7.874 513 HE2 PHE 65 1HE PHE 65 -5.050 -9.948 -6.655 514 HZ PHE 65 HZ PHE 65 -6.133 -11.521 -8.208 515 HB2 PHE 65 2HB PHE 65 -3.092 -12.578 -3.398 516 HB3 PHE 65 1HB PHE 65 -2.233 -13.646 -4.499 517 HA PRO 66 HA PRO 66 -2.163 -16.129 0.087 518 HB2 PRO 66 2HB PRO 66 -2.812 -18.915 -0.170 519 HB3 PRO 66 1HB PRO 66 -3.521 -17.729 0.925 520 HG2 PRO 66 2HG PRO 66 -4.874 -18.923 -1.148 521 HG3 PRO 66 1HG PRO 66 -5.307 -17.357 -0.442 522 HD2 PRO 66 2HD PRO 66 -3.764 -17.947 -2.939 523 HD3 PRO 66 1HD PRO 66 -5.005 -16.707 -2.644 524 H GLN 67 HN GLN 67 -0.545 -15.797 -2.053 525 HA GLN 67 HA GLN 67 1.171 -18.196 -1.994 526 HB2 GLN 67 2HB GLN 67 0.828 -16.114 -4.155 527 HB3 GLN 67 1HB GLN 67 2.140 -17.284 -4.145 528 HG2 GLN 67 2HG GLN 67 0.489 -19.099 -4.188 529 HG3 GLN 67 1HG GLN 67 -0.799 -17.898 -4.261 530 HE21 GLN 67 1HE2 GLN 67 -1.525 -18.681 -6.216 531 HE22 GLN 67 2HE2 GLN 67 -0.661 -18.414 -7.700 532 H PHE 68 HN PHE 68 1.038 -14.704 -1.803 533 HA PHE 68 HA PHE 68 3.861 -14.643 -0.995 534 HD1 PHE 68 2HD PHE 68 4.503 -14.559 -3.387 535 HD2 PHE 68 1HD PHE 68 1.236 -11.866 -3.629 536 HE1 PHE 68 2HE PHE 68 4.288 -15.049 -5.793 537 HE2 PHE 68 1HE PHE 68 0.996 -12.343 -6.023 538 HZ PHE 68 HZ PHE 68 2.525 -13.944 -7.109 539 HB2 PHE 68 2HB PHE 68 2.215 -12.207 -1.613 540 HB3 PHE 68 1HB PHE 68 3.961 -12.416 -1.713 541 H ASP 69 HN ASP 69 4.410 -13.173 0.791 542 HA ASP 69 HA ASP 69 2.399 -13.298 2.895 543 HB2 ASP 69 2HB ASP 69 4.756 -14.017 3.335 544 HB3 ASP 69 1HB ASP 69 5.272 -12.357 3.059 545 H TRP 70 HN TRP 70 0.946 -11.719 2.342 546 HA TRP 70 HA TRP 70 1.838 -9.154 1.397 547 HD1 TRP 70 1HD TRP 70 -0.589 -12.378 0.630 548 HE1 TRP 70 1HE TRP 70 -0.621 -12.770 -1.911 549 HE3 TRP 70 3HE TRP 70 0.048 -7.554 -0.934 550 HZ2 TRP 70 2HZ TRP 70 -0.417 -11.231 -4.265 551 HZ3 TRP 70 3HZ TRP 70 0.120 -7.103 -3.352 552 HH2 TRP 70 2HH TRP 70 -0.106 -8.910 -4.982 553 HB2 TRP 70 2HB TRP 70 -0.934 -10.094 2.077 554 HB3 TRP 70 1HB TRP 70 -0.547 -8.589 1.272 555 H GLN 71 HN GLN 71 2.087 -7.392 2.452 556 HA GLN 71 HA GLN 71 0.995 -7.080 5.170 557 HB2 GLN 71 2HB GLN 71 3.604 -6.364 3.975 558 HB3 GLN 71 1HB GLN 71 2.875 -5.108 4.962 559 HG2 GLN 71 2HG GLN 71 4.464 -6.543 6.184 560 HG3 GLN 71 1HG GLN 71 2.843 -6.543 6.874 561 HE21 GLN 71 1HE2 GLN 71 5.170 -8.387 5.034 562 HE22 GLN 71 2HE2 GLN 71 4.444 -9.939 5.297 563 H VAL 72 HN VAL 72 -0.226 -5.236 5.575 564 HA VAL 72 HA VAL 72 -0.804 -3.587 3.209 565 HB VAL 72 HB VAL 72 -2.526 -3.777 5.677 566 HG11 VAL 72 1HG1 VAL 72 -3.096 -2.852 2.863 567 HG12 VAL 72 2HG1 VAL 72 -2.884 -1.822 4.277 568 HG13 VAL 72 3HG1 VAL 72 -4.265 -2.914 4.183 569 HG21 VAL 72 3HG2 VAL 72 -2.793 -5.379 3.135 570 HG22 VAL 72 1HG2 VAL 72 -3.947 -5.351 4.468 571 HG23 VAL 72 2HG2 VAL 72 -2.329 -6.012 4.715 572 H ALA 73 HN ALA 73 0.197 -1.695 3.228 573 HA ALA 73 HA ALA 73 0.616 -0.372 5.829 574 HB1 ALA 73 1HB ALA 73 2.264 -0.088 3.321 575 HB2 ALA 73 2HB ALA 73 2.713 -1.024 4.747 576 HB3 ALA 73 3HB ALA 73 2.557 0.730 4.856 577 H VAL 74 HN VAL 74 0.213 1.822 5.991 578 HA VAL 74 HA VAL 74 -1.139 3.095 3.710 579 HB VAL 74 HB VAL 74 -2.837 4.049 5.271 580 HG11 VAL 74 1HG1 VAL 74 -4.223 2.042 5.396 581 HG12 VAL 74 2HG1 VAL 74 -2.804 1.041 5.098 582 HG13 VAL 74 3HG1 VAL 74 -3.382 2.146 3.852 583 HG21 VAL 74 3HG2 VAL 74 -3.198 2.913 7.435 584 HG22 VAL 74 1HG2 VAL 74 -1.666 3.786 7.375 585 HG23 VAL 74 2HG2 VAL 74 -1.690 2.031 7.199 586 H ALA 75 HN ALA 75 -1.445 5.463 4.096 587 HA ALA 75 HA ALA 75 0.603 6.579 5.885 588 HB1 ALA 75 1HB ALA 75 1.449 6.626 3.580 589 HB2 ALA 75 2HB ALA 75 1.168 8.253 4.204 590 HB3 ALA 75 3HB ALA 75 0.018 7.530 3.078 591 H ASP 76 HN ASP 76 0.167 8.987 6.265 592 HA ASP 76 HA ASP 76 -2.505 9.188 7.223 593 HB2 ASP 76 2HB ASP 76 -1.805 11.496 7.953 594 HB3 ASP 76 1HB ASP 76 -0.805 10.183 8.562 595 H LEU 77 HN LEU 77 -1.181 12.034 5.687 596 HA LEU 77 HA LEU 77 -3.036 11.828 3.440 597 HG LEU 77 HG LEU 77 -4.545 12.236 6.046 598 HB2 LEU 77 2HB LEU 77 -3.025 14.112 5.419 599 HB3 LEU 77 1HB LEU 77 -3.808 14.179 3.854 600 HD11 LEU 77 1HD1 LEU 77 -5.849 14.817 5.201 601 HD12 LEU 77 2HD1 LEU 77 -5.056 14.494 6.743 602 HD13 LEU 77 3HD1 LEU 77 -6.542 13.645 6.322 603 HD21 LEU 77 3HD2 LEU 77 -5.064 11.428 3.798 604 HD22 LEU 77 1HD2 LEU 77 -5.919 12.930 3.451 605 HD23 LEU 77 2HD2 LEU 77 -6.533 11.832 4.686 606 H GLU 78 HN GLU 78 -0.517 13.659 5.120 607 HA GLU 78 HA GLU 78 0.207 15.150 2.766 608 HB2 GLU 78 2HB GLU 78 0.423 16.089 5.044 609 HB3 GLU 78 1HB GLU 78 1.652 14.885 5.407 610 HG2 GLU 78 2HG GLU 78 3.128 15.820 3.765 611 HG3 GLU 78 1HG GLU 78 1.882 16.945 3.227 612 H GLN 79 HN GLN 79 1.857 12.692 4.757 613 HA GLN 79 HA GLN 79 4.045 12.311 3.047 614 HB2 GLN 79 2HB GLN 79 2.788 10.694 5.220 615 HB3 GLN 79 1HB GLN 79 3.958 9.905 4.171 616 HG2 GLN 79 2HG GLN 79 5.114 10.677 6.091 617 HG3 GLN 79 1HG GLN 79 5.583 11.703 4.739 618 HE21 GLN 79 1HE2 GLN 79 2.557 11.926 6.538 619 HE22 GLN 79 2HE2 GLN 79 2.876 13.493 7.210 620 H SER 80 HN SER 80 0.818 11.097 2.968 621 HA SER 80 HA SER 80 0.979 8.920 1.276 622 HG SER 80 HG SER 80 -1.644 9.089 3.017 623 HB2 SER 80 2HB SER 80 -1.196 10.989 1.198 624 HB3 SER 80 1HB SER 80 -1.333 9.244 0.956 625 H GLU 81 HN GLU 81 0.691 12.362 0.493 626 HA GLU 81 HA GLU 81 0.433 12.031 -2.300 627 HB2 GLU 81 2HB GLU 81 -0.210 14.059 -0.969 628 HB3 GLU 81 1HB GLU 81 1.498 14.434 -0.815 629 HG2 GLU 81 2HG GLU 81 1.703 14.742 -3.183 630 HG3 GLU 81 1HG GLU 81 0.047 14.191 -3.437 631 H ALA 82 HN ALA 82 3.179 12.582 -0.165 632 HA ALA 82 HA ALA 82 5.144 12.857 -2.168 633 HB1 ALA 82 1HB ALA 82 6.758 12.424 -0.391 634 HB2 ALA 82 2HB ALA 82 5.460 11.852 0.660 635 HB3 ALA 82 3HB ALA 82 5.505 13.541 0.154 636 H ILE 83 HN ILE 83 3.806 10.039 -0.509 637 HA ILE 83 HA ILE 83 5.585 8.128 -1.574 638 HB ILE 83 HB ILE 83 2.739 7.803 -0.621 639 HG12 ILE 83 2HG1 ILE 83 5.399 7.210 0.696 640 HG13 ILE 83 1HG1 ILE 83 4.339 8.560 1.087 641 HG21 ILE 83 1HG2 ILE 83 3.304 5.994 -2.145 642 HG22 ILE 83 2HG2 ILE 83 3.212 5.402 -0.487 643 HG23 ILE 83 3HG2 ILE 83 4.784 5.675 -1.243 644 HD11 ILE 83 3HD1 ILE 83 4.146 6.776 2.721 645 HD12 ILE 83 1HD1 ILE 83 3.684 5.647 1.447 646 HD13 ILE 83 2HD1 ILE 83 2.631 7.004 1.848 647 H GLY 84 HN GLY 84 2.395 9.252 -2.662 648 HA2 GLY 84 2HA GLY 84 2.199 7.633 -4.955 649 HA3 GLY 84 1HA GLY 84 1.381 9.172 -4.725 650 H ASP 85 HN ASP 85 3.677 10.791 -4.458 651 HA ASP 85 HA ASP 85 4.360 11.385 -7.105 652 HB2 ASP 85 2HB ASP 85 4.578 13.103 -5.485 653 HB3 ASP 85 1HB ASP 85 5.606 12.111 -4.462 654 H ARG 86 HN ARG 86 6.157 9.651 -4.604 655 HA ARG 86 HA ARG 86 8.550 9.332 -6.012 656 HE ARG 86 HE ARG 86 11.137 5.379 -3.458 657 HB2 ARG 86 2HB ARG 86 8.341 9.014 -3.590 658 HB3 ARG 86 1HB ARG 86 7.391 7.561 -3.857 659 HG2 ARG 86 2HG ARG 86 9.276 6.434 -4.822 660 HG3 ARG 86 1HG ARG 86 10.238 7.915 -4.772 661 HD2 ARG 86 2HD ARG 86 10.128 7.917 -2.338 662 HD3 ARG 86 1HD ARG 86 9.130 6.465 -2.369 663 HH11 ARG 86 1HH1 ARG 86 11.503 8.162 -1.343 664 HH12 ARG 86 2HH1 ARG 86 13.072 7.659 -0.766 665 HH21 ARG 86 1HH2 ARG 86 13.193 4.743 -2.703 666 HH22 ARG 86 2HH2 ARG 86 14.031 5.740 -1.551 667 H PHE 87 HN PHE 87 5.642 7.319 -5.992 668 HA PHE 87 HA PHE 87 7.017 5.342 -7.660 669 HD1 PHE 87 1HD PHE 87 7.552 3.393 -6.586 670 HD2 PHE 87 2HD PHE 87 4.505 4.898 -4.028 671 HE1 PHE 87 1HE PHE 87 8.734 2.462 -4.641 672 HE2 PHE 87 2HE PHE 87 5.683 3.974 -2.077 673 HZ PHE 87 HZ PHE 87 7.802 2.754 -2.380 674 HB2 PHE 87 2HB PHE 87 4.330 5.248 -6.282 675 HB3 PHE 87 1HB PHE 87 4.977 3.954 -7.286 676 H ASN 88 HN ASN 88 5.352 8.099 -8.103 677 HA ASN 88 HA ASN 88 4.357 9.117 -9.855 678 HB2 ASN 88 2HB ASN 88 5.406 6.754 -11.420 679 HB3 ASN 88 1HB ASN 88 4.740 8.218 -12.135 680 HD21 ASN 88 1HD2 ASN 88 5.981 9.867 -9.994 681 HD22 ASN 88 2HD2 ASN 88 7.652 9.973 -10.418 682 H VAL 89 HN VAL 89 2.488 8.235 -8.439 683 HA VAL 89 HA VAL 89 0.704 6.367 -9.617 684 HB VAL 89 HB VAL 89 0.563 7.170 -7.252 685 HG11 VAL 89 1HG1 VAL 89 0.936 9.538 -7.620 686 HG12 VAL 89 2HG1 VAL 89 -0.582 9.272 -6.765 687 HG13 VAL 89 3HG1 VAL 89 -0.595 9.663 -8.486 688 HG21 VAL 89 3HG2 VAL 89 -1.931 7.427 -8.929 689 HG22 VAL 89 1HG2 VAL 89 -1.916 7.280 -7.171 690 HG23 VAL 89 2HG2 VAL 89 -1.301 5.965 -8.169 691 H ARG 90 HN ARG 90 -1.393 6.948 -10.673 692 HA ARG 90 HA ARG 90 -0.916 8.651 -12.884 693 HE ARG 90 HE ARG 90 -0.486 4.208 -13.523 694 HB2 ARG 90 2HB ARG 90 -3.436 7.289 -11.943 695 HB3 ARG 90 1HB ARG 90 -3.353 8.241 -13.416 696 HG2 ARG 90 2HG ARG 90 -3.043 6.136 -14.239 697 HG3 ARG 90 1HG ARG 90 -1.371 6.641 -13.995 698 HD2 ARG 90 2HD ARG 90 -1.446 5.511 -11.762 699 HD3 ARG 90 1HD ARG 90 -3.032 4.879 -12.203 700 HH11 ARG 90 1HH1 ARG 90 -3.860 3.504 -12.875 701 HH12 ARG 90 2HH1 ARG 90 -3.801 1.927 -13.606 702 HH21 ARG 90 1HH2 ARG 90 -0.402 2.172 -14.486 703 HH22 ARG 90 2HH2 ARG 90 -1.813 1.154 -14.513 704 H ARG 91 HN ARG 91 -3.567 8.919 -10.478 705 HA ARG 91 HA ARG 91 -3.057 11.712 -10.087 706 HE ARG 91 HE ARG 91 -5.265 12.219 -13.811 707 HB2 ARG 91 2HB ARG 91 -4.177 11.524 -12.381 708 HB3 ARG 91 1HB ARG 91 -5.631 11.063 -11.507 709 HG2 ARG 91 2HG ARG 91 -5.568 13.195 -10.302 710 HG3 ARG 91 1HG ARG 91 -4.128 13.655 -11.213 711 HD2 ARG 91 2HD ARG 91 -6.923 13.224 -12.222 712 HD3 ARG 91 1HD ARG 91 -5.936 14.682 -12.316 713 HH11 ARG 91 1HH1 ARG 91 -5.689 15.692 -13.655 714 HH12 ARG 91 2HH1 ARG 91 -5.227 15.948 -15.311 715 HH21 ARG 91 1HH2 ARG 91 -4.663 12.557 -15.987 716 HH22 ARG 91 2HH2 ARG 91 -4.671 14.173 -16.641 717 H PHE 92 HN PHE 92 -5.420 9.087 -9.885 718 HA PHE 92 HA PHE 92 -6.535 10.307 -7.458 719 HD1 PHE 92 2HD PHE 92 -9.019 11.227 -7.818 720 HD2 PHE 92 1HD PHE 92 -7.943 9.028 -11.301 721 HE1 PHE 92 2HE PHE 92 -10.085 12.943 -9.230 722 HE2 PHE 92 1HE PHE 92 -9.005 10.735 -12.715 723 HZ PHE 92 HZ PHE 92 -10.078 12.696 -11.681 724 HB2 PHE 92 2HB PHE 92 -7.615 8.081 -9.204 725 HB3 PHE 92 1HB PHE 92 -8.423 8.741 -7.783 726 HA PRO 93 HA PRO 93 -4.837 7.497 -4.534 727 HB2 PRO 93 2HB PRO 93 -7.626 6.650 -3.895 728 HB3 PRO 93 1HB PRO 93 -6.336 7.187 -2.812 729 HG2 PRO 93 2HG PRO 93 -8.345 8.815 -3.444 730 HG3 PRO 93 1HG PRO 93 -6.691 9.424 -3.274 731 HD2 PRO 93 2HD PRO 93 -8.289 8.949 -5.739 732 HD3 PRO 93 1HD PRO 93 -7.048 10.175 -5.414 733 H ALA 94 HN ALA 94 -3.950 5.578 -4.843 734 HA ALA 94 HA ALA 94 -5.496 3.412 -6.073 735 HB1 ALA 94 1HB ALA 94 -2.784 4.316 -7.038 736 HB2 ALA 94 2HB ALA 94 -4.310 4.528 -7.896 737 HB3 ALA 94 3HB ALA 94 -3.674 2.907 -7.617 738 H THR 95 HN THR 95 -4.465 1.321 -5.817 739 HA THR 95 HA THR 95 -2.904 1.155 -3.349 740 HB THR 95 HB THR 95 -4.157 -1.069 -4.977 741 HG1 THR 95 1HG THR 95 -5.342 0.798 -3.516 742 HG21 THR 95 3HG2 THR 95 -3.150 -1.002 -2.129 743 HG22 THR 95 1HG2 THR 95 -2.374 -1.821 -3.484 744 HG23 THR 95 2HG2 THR 95 -3.948 -2.369 -2.907 745 H LEU 96 HN LEU 96 -0.769 0.656 -3.374 746 HA LEU 96 HA LEU 96 0.452 0.055 -5.958 747 HG LEU 96 HG LEU 96 2.729 2.601 -4.503 748 HB2 LEU 96 2HB LEU 96 1.669 0.699 -3.271 749 HB3 LEU 96 1HB LEU 96 2.610 0.243 -4.677 750 HD11 LEU 96 1HD1 LEU 96 2.455 1.789 -6.770 751 HD12 LEU 96 2HD1 LEU 96 1.679 3.361 -6.579 752 HD13 LEU 96 3HD1 LEU 96 0.702 1.894 -6.617 753 HD21 LEU 96 3HD2 LEU 96 0.838 2.963 -3.015 754 HD22 LEU 96 1HD2 LEU 96 -0.280 2.634 -4.340 755 HD23 LEU 96 2HD2 LEU 96 0.766 4.051 -4.402 756 H VAL 97 HN VAL 97 0.994 -1.913 -6.546 757 HA VAL 97 HA VAL 97 0.746 -4.057 -4.560 758 HB VAL 97 HB VAL 97 0.801 -4.297 -7.573 759 HG11 VAL 97 1HG1 VAL 97 -0.049 -6.560 -7.169 760 HG12 VAL 97 2HG1 VAL 97 0.075 -6.292 -5.429 761 HG13 VAL 97 3HG1 VAL 97 1.532 -6.322 -6.422 762 HG21 VAL 97 3HG2 VAL 97 -1.625 -4.699 -7.381 763 HG22 VAL 97 1HG2 VAL 97 -1.172 -3.071 -6.868 764 HG23 VAL 97 2HG2 VAL 97 -1.534 -4.307 -5.664 765 H PHE 98 HN PHE 98 2.562 -4.709 -3.684 766 HA PHE 98 HA PHE 98 5.021 -4.637 -5.292 767 HD1 PHE 98 2HD PHE 98 7.450 -3.423 -4.386 768 HD2 PHE 98 1HD PHE 98 3.829 -1.941 -2.723 769 HE1 PHE 98 2HE PHE 98 8.135 -1.146 -4.947 770 HE2 PHE 98 1HE PHE 98 4.510 0.360 -3.284 771 HZ PHE 98 HZ PHE 98 6.668 0.763 -4.395 772 HB2 PHE 98 2HB PHE 98 4.498 -4.205 -2.377 773 HB3 PHE 98 1HB PHE 98 6.078 -4.781 -2.903 774 H THR 99 HN THR 99 6.206 -6.399 -5.563 775 HA THR 99 HA THR 99 5.847 -8.732 -3.865 776 HB THR 99 HB THR 99 5.578 -10.309 -5.726 777 HG1 THR 99 1HG THR 99 6.484 -8.899 -7.350 778 HG21 THR 99 3HG2 THR 99 3.399 -8.219 -5.686 779 HG22 THR 99 1HG2 THR 99 3.524 -9.632 -4.637 780 HG23 THR 99 2HG2 THR 99 3.239 -9.839 -6.365 781 H ASP 100 HN ASP 100 7.660 -10.121 -4.036 782 HA ASP 100 HA ASP 100 9.859 -10.591 -4.257 783 HB2 ASP 100 2HB ASP 100 10.747 -10.756 -6.469 784 HB3 ASP 100 1HB ASP 100 9.046 -11.144 -6.529 785 H GLY 101 HN GLY 101 9.079 -7.784 -3.512 786 HA2 GLY 101 2HA GLY 101 10.424 -6.094 -2.649 787 HA3 GLY 101 1HA GLY 101 11.779 -6.730 -3.566 788 H LYS 102 HN LYS 102 9.441 -6.592 -5.842 789 HA LYS 102 HA LYS 102 10.211 -3.801 -6.491 790 HB2 LYS 102 2HB LYS 102 11.315 -5.370 -7.978 791 HB3 LYS 102 1HB LYS 102 9.770 -6.109 -8.389 792 HG2 LYS 102 2HG LYS 102 9.042 -4.129 -9.511 793 HG3 LYS 102 1HG LYS 102 10.445 -3.227 -8.939 794 HD2 LYS 102 2HD LYS 102 10.602 -5.626 -10.756 795 HD3 LYS 102 1HD LYS 102 10.579 -3.956 -11.324 796 HE2 LYS 102 2HE LYS 102 12.586 -3.592 -9.795 797 HE3 LYS 102 1HE LYS 102 12.676 -5.351 -9.686 798 HZ1 LYS 102 3HZ LYS 102 12.869 -5.436 -12.112 799 HZ2 LYS 102 1HZ LYS 102 14.125 -4.525 -11.421 800 HZ3 LYS 102 2HZ LYS 102 12.826 -3.743 -12.181 801 H LEU 103 HN LEU 103 8.745 -2.420 -7.421 802 HA LEU 103 HA LEU 103 5.977 -2.869 -6.892 803 HG LEU 103 HG LEU 103 4.998 -0.727 -9.079 804 HB2 LEU 103 2HB LEU 103 6.931 -0.636 -6.758 805 HB3 LEU 103 1HB LEU 103 7.383 -0.697 -8.449 806 HD11 LEU 103 1HD1 LEU 103 3.299 -0.232 -7.372 807 HD12 LEU 103 2HD1 LEU 103 4.526 -0.423 -6.118 808 HD13 LEU 103 3HD1 LEU 103 4.065 -1.801 -7.118 809 HD21 LEU 103 3HD2 LEU 103 6.181 1.394 -8.945 810 HD22 LEU 103 1HD2 LEU 103 5.768 1.529 -7.235 811 HD23 LEU 103 2HD2 LEU 103 4.495 1.583 -8.458 812 H ARG 104 HN ARG 104 4.569 -3.896 -8.107 813 HA ARG 104 HA ARG 104 5.320 -4.641 -10.818 814 HE ARG 104 HE ARG 104 5.921 -5.932 -11.304 815 HB2 ARG 104 2HB ARG 104 2.908 -5.457 -9.192 816 HB3 ARG 104 1HB ARG 104 3.433 -6.174 -10.710 817 HG2 ARG 104 2HG ARG 104 5.245 -6.143 -8.332 818 HG3 ARG 104 1HG ARG 104 3.986 -7.365 -8.494 819 HD2 ARG 104 2HD ARG 104 6.194 -8.103 -9.334 820 HD3 ARG 104 1HD ARG 104 4.929 -8.144 -10.558 821 HH11 ARG 104 1HH1 ARG 104 7.873 -8.313 -9.622 822 HH12 ARG 104 2HH1 ARG 104 9.318 -7.928 -10.509 823 HH21 ARG 104 1HH2 ARG 104 7.822 -5.425 -12.464 824 HH22 ARG 104 2HH2 ARG 104 9.282 -6.311 -12.135 825 H GLY 105 HN GLY 105 2.872 -2.759 -9.120 826 HA2 GLY 105 2HA GLY 105 2.502 -0.884 -11.097 827 HA3 GLY 105 1HA GLY 105 1.349 -2.161 -11.461 828 H ALA 106 HN ALA 106 0.147 0.067 -11.033 829 HA ALA 106 HA ALA 106 -0.642 0.145 -8.202 830 HB1 ALA 106 1HB ALA 106 -1.503 2.369 -8.627 831 HB2 ALA 106 2HB ALA 106 -1.125 2.215 -10.341 832 HB3 ALA 106 3HB ALA 106 0.177 2.269 -9.154 833 H LEU 107 HN LEU 107 -2.964 0.485 -7.776 834 HA LEU 107 HA LEU 107 -4.696 -0.653 -9.861 835 HG LEU 107 HG LEU 107 -5.855 -3.582 -7.875 836 HB2 LEU 107 2HB LEU 107 -3.825 -2.324 -8.071 837 HB3 LEU 107 1HB LEU 107 -4.916 -1.500 -6.981 838 HD11 LEU 107 1HD1 LEU 107 -7.304 -1.106 -8.790 839 HD12 LEU 107 2HD1 LEU 107 -7.394 -1.847 -7.190 840 HD13 LEU 107 3HD1 LEU 107 -8.026 -2.705 -8.597 841 HD21 LEU 107 3HD2 LEU 107 -5.714 -2.187 -10.541 842 HD22 LEU 107 1HD2 LEU 107 -6.524 -3.722 -10.223 843 HD23 LEU 107 2HD2 LEU 107 -4.773 -3.595 -10.046 844 H SER 108 HN SER 108 -6.148 0.878 -10.245 845 HA SER 108 HA SER 108 -7.416 2.192 -7.941 846 HG SER 108 HG SER 108 -6.736 2.519 -11.275 847 HB2 SER 108 2HB SER 108 -7.821 4.132 -9.576 848 HB3 SER 108 1HB SER 108 -6.178 3.929 -8.968 849 H GLY 109 HN GLY 109 -9.256 1.103 -7.755 850 HA2 GLY 109 2HA GLY 109 -11.475 1.387 -9.286 851 HA3 GLY 109 1HA GLY 109 -10.650 0.021 -10.033 852 H ILE 110 HN ILE 110 -12.381 1.161 -7.259 853 HA ILE 110 HA ILE 110 -11.901 -1.316 -5.778 854 HB ILE 110 HB ILE 110 -13.496 1.115 -4.942 855 HG12 ILE 110 2HG1 ILE 110 -11.170 1.733 -5.384 856 HG13 ILE 110 1HG1 ILE 110 -11.502 1.775 -3.656 857 HG21 ILE 110 1HG2 ILE 110 -14.053 -0.901 -3.687 858 HG22 ILE 110 2HG2 ILE 110 -13.199 0.261 -2.670 859 HG23 ILE 110 3HG2 ILE 110 -12.347 -1.146 -3.309 860 HD11 ILE 110 3HD1 ILE 110 -9.314 0.806 -4.179 861 HD12 ILE 110 1HD1 ILE 110 -10.112 -0.470 -5.101 862 HD13 ILE 110 2HD1 ILE 110 -10.375 -0.343 -3.361 863 H HIS 111 HN HIS 111 -14.284 0.175 -7.762 864 HA HIS 111 HA HIS 111 -16.484 -1.294 -6.592 865 HD1 HIS 111 1HD HIS 111 -19.055 -0.125 -9.787 866 HD2 HIS 111 2HD HIS 111 -18.653 0.149 -5.654 867 HE1 HIS 111 1HE HIS 111 -21.388 -0.311 -8.859 868 HE2 HIS 111 2HE HIS 111 -21.095 -0.336 -6.353 869 HB2 HIS 111 2HB HIS 111 -16.550 1.118 -7.548 870 HB3 HIS 111 1HB HIS 111 -16.718 0.319 -9.108 871 HA PRO 112 HA PRO 112 -16.520 -3.470 -10.893 872 HB2 PRO 112 2HB PRO 112 -14.353 -3.244 -12.508 873 HB3 PRO 112 1HB PRO 112 -15.728 -2.134 -12.587 874 HG2 PRO 112 2HG PRO 112 -13.079 -1.779 -11.247 875 HG3 PRO 112 1HG PRO 112 -14.008 -0.619 -12.214 876 HD2 PRO 112 2HD PRO 112 -13.975 -0.575 -9.502 877 HD3 PRO 112 1HD PRO 112 -15.384 -0.063 -10.452 878 H TRP 113 HN TRP 113 -16.315 -5.302 -9.682 879 HA TRP 113 HA TRP 113 -13.821 -6.144 -8.547 880 HD1 TRP 113 1HD TRP 113 -15.298 -10.107 -8.468 881 HE1 TRP 113 1HE TRP 113 -13.937 -11.189 -6.550 882 HE3 TRP 113 3HE TRP 113 -14.313 -5.911 -5.785 883 HZ2 TRP 113 2HZ TRP 113 -12.608 -10.317 -4.188 884 HZ3 TRP 113 3HZ TRP 113 -12.988 -6.092 -3.703 885 HH2 TRP 113 2HH TRP 113 -12.155 -8.257 -2.927 886 HB2 TRP 113 2HB TRP 113 -16.092 -6.539 -7.532 887 HB3 TRP 113 1HB TRP 113 -16.376 -7.735 -8.794 888 H ALA 114 HN ALA 114 -15.974 -7.406 -11.029 889 HA ALA 114 HA ALA 114 -14.459 -9.703 -11.641 890 HB1 ALA 114 1HB ALA 114 -16.426 -8.254 -13.406 891 HB2 ALA 114 2HB ALA 114 -16.827 -9.481 -12.205 892 HB3 ALA 114 3HB ALA 114 -15.859 -9.910 -13.614 893 H GLU 115 HN GLU 115 -14.003 -6.433 -12.492 894 HA GLU 115 HA GLU 115 -12.292 -7.084 -14.768 895 HB2 GLU 115 2HB GLU 115 -13.003 -4.410 -13.546 896 HB3 GLU 115 1HB GLU 115 -12.022 -4.632 -14.988 897 HG2 GLU 115 2HG GLU 115 -14.915 -5.393 -14.664 898 HG3 GLU 115 1HG GLU 115 -14.285 -4.024 -15.579 899 H LEU 116 HN LEU 116 -12.129 -5.892 -11.481 900 HA LEU 116 HA LEU 116 -9.447 -5.164 -11.328 901 HG LEU 116 HG LEU 116 -8.766 -4.557 -8.984 902 HB2 LEU 116 2HB LEU 116 -11.257 -4.781 -9.618 903 HB3 LEU 116 1HB LEU 116 -11.100 -6.460 -9.152 904 HD11 LEU 116 1HD1 LEU 116 -10.581 -3.581 -7.693 905 HD12 LEU 116 2HD1 LEU 116 -9.351 -4.244 -6.617 906 HD13 LEU 116 3HD1 LEU 116 -10.858 -5.123 -6.884 907 HD21 LEU 116 3HD2 LEU 116 -8.252 -6.940 -8.839 908 HD22 LEU 116 1HD2 LEU 116 -9.443 -7.127 -7.550 909 HD23 LEU 116 2HD2 LEU 116 -8.000 -6.147 -7.284 910 H LEU 117 HN LEU 117 -10.965 -8.316 -10.661 911 HA LEU 117 HA LEU 117 -8.718 -9.692 -9.818 912 HG LEU 117 HG LEU 117 -11.613 -11.844 -9.128 913 HB2 LEU 117 2HB LEU 117 -11.289 -10.487 -11.075 914 HB3 LEU 117 1HB LEU 117 -10.015 -11.688 -11.014 915 HD11 LEU 117 1HD1 LEU 117 -9.346 -12.706 -8.898 916 HD12 LEU 117 2HD1 LEU 117 -9.929 -12.048 -7.370 917 HD13 LEU 117 3HD1 LEU 117 -8.790 -11.125 -8.349 918 HD21 LEU 117 3HD2 LEU 117 -12.120 -9.486 -8.842 919 HD22 LEU 117 1HD2 LEU 117 -10.456 -9.171 -8.347 920 HD23 LEU 117 2HD2 LEU 117 -11.501 -10.172 -7.340 921 H THR 118 HN THR 118 -9.892 -9.263 -13.137 922 HA THR 118 HA THR 118 -8.016 -10.968 -14.354 923 HB THR 118 HB THR 118 -9.335 -8.553 -15.604 924 HG1 THR 118 1HG THR 118 -11.091 -9.872 -15.963 925 HG21 THR 118 3HG2 THR 118 -9.172 -9.872 -17.672 926 HG22 THR 118 1HG2 THR 118 -8.343 -11.155 -16.789 927 HG23 THR 118 2HG2 THR 118 -7.579 -9.575 -16.975 928 H LEU 119 HN LEU 119 -7.979 -7.441 -13.835 929 HA LEU 119 HA LEU 119 -5.457 -7.112 -15.154 930 HG LEU 119 HG LEU 119 -7.114 -3.852 -15.547 931 HB2 LEU 119 2HB LEU 119 -7.256 -5.319 -13.580 932 HB3 LEU 119 1HB LEU 119 -5.615 -4.807 -13.913 933 HD11 LEU 119 1HD1 LEU 119 -5.463 -6.067 -16.750 934 HD12 LEU 119 2HD1 LEU 119 -4.885 -4.462 -16.301 935 HD13 LEU 119 3HD1 LEU 119 -6.063 -4.643 -17.601 936 HD21 LEU 119 3HD2 LEU 119 -8.920 -5.478 -15.434 937 HD22 LEU 119 1HD2 LEU 119 -7.894 -6.690 -16.205 938 HD23 LEU 119 2HD2 LEU 119 -8.388 -5.253 -17.102 939 H MET 120 HN MET 120 -6.497 -7.176 -11.759 940 HA MET 120 HA MET 120 -3.993 -6.600 -10.615 941 HB2 MET 120 2HB MET 120 -6.424 -6.825 -9.591 942 HB3 MET 120 1HB MET 120 -5.902 -8.468 -9.261 943 HG2 MET 120 2HG MET 120 -4.426 -6.016 -8.343 944 HG3 MET 120 1HG MET 120 -5.618 -6.875 -7.374 945 HE1 MET 120 3HE MET 120 -3.993 -7.254 -5.377 946 HE2 MET 120 1HE MET 120 -2.767 -6.310 -6.225 947 HE3 MET 120 2HE MET 120 -2.352 -7.882 -5.543 948 H ARG 121 HN ARG 121 -5.433 -9.607 -11.736 949 HA ARG 121 HA ARG 121 -3.624 -11.429 -10.637 950 HE ARG 121 HE ARG 121 -4.564 -15.785 -10.878 951 HB2 ARG 121 2HB ARG 121 -5.807 -11.557 -12.354 952 HB3 ARG 121 1HB ARG 121 -4.470 -12.168 -13.319 953 HG2 ARG 121 2HG ARG 121 -5.380 -13.212 -10.647 954 HG3 ARG 121 1HG ARG 121 -5.578 -13.994 -12.215 955 HD2 ARG 121 2HD ARG 121 -3.145 -14.148 -12.441 956 HD3 ARG 121 1HD ARG 121 -2.952 -13.381 -10.865 957 HH11 ARG 121 1HH1 ARG 121 -1.346 -14.441 -10.508 958 HH12 ARG 121 2HH1 ARG 121 -0.746 -15.799 -9.617 959 HH21 ARG 121 1HH2 ARG 121 -3.782 -17.565 -9.701 960 HH22 ARG 121 2HH2 ARG 121 -2.126 -17.594 -9.179 961 H SER 122 HN SER 122 -3.480 -9.645 -13.713 962 HA SER 122 HA SER 122 -1.143 -10.798 -14.698 963 HG SER 122 HG SER 122 -3.191 -10.471 -15.863 964 HB2 SER 122 2HB SER 122 -2.201 -8.000 -15.144 965 HB3 SER 122 1HB SER 122 -1.161 -8.924 -16.204 966 H ILE 123 HN ILE 123 -1.751 -8.265 -12.387 967 HA ILE 123 HA ILE 123 0.847 -7.121 -12.389 968 HB ILE 123 HB ILE 123 -1.269 -7.075 -10.229 969 HG12 ILE 123 2HG1 ILE 123 -0.640 -5.082 -12.416 970 HG13 ILE 123 1HG1 ILE 123 -2.038 -6.152 -12.381 971 HG21 ILE 123 1HG2 ILE 123 1.149 -5.323 -10.636 972 HG22 ILE 123 2HG2 ILE 123 0.916 -6.499 -9.341 973 HG23 ILE 123 3HG2 ILE 123 -0.109 -5.065 -9.426 974 HD11 ILE 123 3HD1 ILE 123 -2.599 -3.876 -11.703 975 HD12 ILE 123 1HD1 ILE 123 -1.446 -3.989 -10.375 976 HD13 ILE 123 2HD1 ILE 123 -2.869 -5.032 -10.398 977 H VAL 124 HN VAL 124 -0.688 -9.722 -10.564 978 HA VAL 124 HA VAL 124 1.744 -10.060 -8.956 979 HB VAL 124 HB VAL 124 0.386 -11.576 -7.551 980 HG11 VAL 124 1HG1 VAL 124 -0.752 -8.823 -7.998 981 HG12 VAL 124 2HG1 VAL 124 0.585 -9.257 -6.930 982 HG13 VAL 124 3HG1 VAL 124 -1.049 -9.822 -6.574 983 HG21 VAL 124 3HG2 VAL 124 -2.050 -11.642 -7.844 984 HG22 VAL 124 1HG2 VAL 124 -1.206 -12.356 -9.218 985 HG23 VAL 124 2HG2 VAL 124 -1.889 -10.735 -9.347 986 H ASP 125 HN ASP 125 1.462 -10.940 -11.803 987 HA ASP 125 HA ASP 125 1.267 -13.780 -11.829 988 HB2 ASP 125 2HB ASP 125 0.996 -12.294 -13.849 989 HB3 ASP 125 1HB ASP 125 2.740 -12.057 -13.829 990 H THR 126 HN THR 126 3.822 -11.516 -11.229 991 HA THR 126 HA THR 126 5.822 -11.759 -10.189 992 HB THR 126 HB THR 126 5.263 -14.724 -10.012 993 HG1 THR 126 1HG THR 126 3.624 -13.344 -9.028 994 HG21 THR 126 3HG2 THR 126 7.069 -12.908 -8.409 995 HG22 THR 126 1HG2 THR 126 7.594 -14.112 -9.586 996 HG23 THR 126 2HG2 THR 126 6.799 -14.622 -8.096 997 HA PRO 127 HA PRO 127 7.747 -13.007 -14.125 998 HB2 PRO 127 2HB PRO 127 9.051 -10.457 -14.163 999 HB3 PRO 127 1HB PRO 127 7.736 -11.019 -15.195 1000 HG2 PRO 127 2HG PRO 127 7.508 -9.004 -13.320 1001 HG3 PRO 127 1HG PRO 127 6.152 -9.954 -13.950 1002 HD2 PRO 127 2HD PRO 127 7.650 -10.258 -11.377 1003 HD3 PRO 127 1HD PRO 127 5.910 -10.432 -11.701 1004 H ALA 128 HN ALA 128 8.854 -12.182 -11.058 1005 HA ALA 128 HA ALA 128 11.618 -11.929 -11.383 1006 HB1 ALA 128 1HB ALA 128 10.446 -11.338 -9.324 1007 HB2 ALA 128 2HB ALA 128 11.775 -12.453 -9.008 1008 HB3 ALA 128 3HB ALA 128 10.112 -13.042 -9.022 1009 H ALA 129 HN ALA 129 9.596 -14.696 -11.582 1010 HA ALA 129 HA ALA 129 11.440 -16.712 -10.901 1011 HB1 ALA 129 1HB ALA 129 9.934 -18.233 -12.042 1012 HB2 ALA 129 2HB ALA 129 9.112 -16.875 -12.809 1013 HB3 ALA 129 3HB ALA 129 9.024 -17.086 -11.059 1014 H GLN 130 HN GLN 130 11.118 -14.751 -13.723 1015 HA GLN 130 HA GLN 130 13.233 -16.342 -15.011 1016 HB2 GLN 130 2HB GLN 130 12.353 -15.467 -17.197 1017 HB3 GLN 130 1HB GLN 130 11.293 -16.598 -16.368 1018 HG2 GLN 130 2HG GLN 130 9.958 -14.712 -15.539 1019 HG3 GLN 130 1HG GLN 130 11.006 -13.601 -16.420 1020 HE21 GLN 130 1HE2 GLN 130 9.280 -12.842 -17.641 1021 HE22 GLN 130 2HE2 GLN 130 8.557 -13.769 -18.910 1022 H GLU 131 HN GLU 131 11.957 -13.144 -14.306 1023 HA GLU 131 HA GLU 131 14.564 -12.012 -15.061 1024 HB2 GLU 131 2HB GLU 131 12.812 -11.267 -16.597 1025 HB3 GLU 131 1HB GLU 131 11.839 -10.711 -15.243 1026 HG2 GLU 131 2HG GLU 131 13.587 -9.072 -14.691 1027 HG3 GLU 131 1HG GLU 131 14.505 -9.605 -16.100 1028 H THR 132 HN THR 132 15.561 -11.922 -13.131 1029 HA THR 132 HA THR 132 14.436 -10.064 -11.176 1030 HB THR 132 HB THR 132 13.861 -12.331 -10.346 1031 HG1 THR 132 1HG THR 132 14.130 -10.956 -8.677 1032 HG21 THR 132 3HG2 THR 132 15.710 -13.587 -11.321 1033 HG22 THR 132 1HG2 THR 132 15.653 -13.825 -9.574 1034 HG23 THR 132 2HG2 THR 132 16.854 -12.740 -10.278 1035 H VAL 133 HN VAL 133 16.268 -9.535 -9.506 1036 HA VAL 133 HA VAL 133 18.775 -9.337 -11.043 1037 HB VAL 133 HB VAL 133 17.593 -7.058 -9.451 1038 HG11 VAL 133 1HG1 VAL 133 19.898 -7.181 -11.391 1039 HG12 VAL 133 2HG1 VAL 133 20.016 -6.997 -9.642 1040 HG13 VAL 133 3HG1 VAL 133 19.288 -5.721 -10.615 1041 HG21 VAL 133 3HG2 VAL 133 16.170 -7.512 -11.370 1042 HG22 VAL 133 1HG2 VAL 133 17.574 -7.491 -12.436 1043 HG23 VAL 133 2HG2 VAL 133 17.072 -6.016 -11.609 1044 H GLN 134 HN GLN 134 17.227 -9.302 -7.879 1045 HA GLN 134 HA GLN 134 17.988 -9.507 -5.750 1046 HB2 GLN 134 2HB GLN 134 20.325 -10.694 -7.225 1047 HB3 GLN 134 1HB GLN 134 20.400 -10.441 -5.490 1048 HG2 GLN 134 2HG GLN 134 19.763 -12.734 -6.117 1049 HG3 GLN 134 1HG GLN 134 18.550 -11.921 -5.130 1050 HE21 GLN 134 1HE2 GLN 134 16.599 -11.350 -6.037 1051 HE22 GLN 134 2HE2 GLN 134 16.046 -12.000 -7.548 1052 H LEU 135 HN LEU 135 18.056 -7.496 -4.977 1053 HA LEU 135 HA LEU 135 20.224 -5.736 -5.868 1054 HG LEU 135 HG LEU 135 17.306 -3.641 -6.731 1055 HB2 LEU 135 2HB LEU 135 17.502 -5.134 -4.733 1056 HB3 LEU 135 1HB LEU 135 18.748 -3.912 -4.880 1057 HD11 LEU 135 1HD1 LEU 135 19.747 -5.143 -7.649 1058 HD12 LEU 135 2HD1 LEU 135 19.658 -3.424 -7.264 1059 HD13 LEU 135 3HD1 LEU 135 18.763 -4.067 -8.641 1060 HD21 LEU 135 3HD2 LEU 135 16.180 -5.796 -6.671 1061 HD22 LEU 135 1HD2 LEU 135 17.628 -6.586 -7.294 1062 HD23 LEU 135 2HD2 LEU 135 16.750 -5.433 -8.299 1063 H GLU 136 HN GLU 136 21.795 -6.520 -4.436 1064 HA GLU 136 HA GLU 136 21.401 -6.011 -1.602 1065 HB2 GLU 136 2HB GLU 136 23.773 -7.017 -3.178 1066 HB3 GLU 136 1HB GLU 136 23.856 -6.653 -1.462 1067 HG2 GLU 136 2HG GLU 136 23.549 -8.979 -1.642 1068 HG3 GLU 136 1HG GLU 136 22.002 -8.312 -1.125 1069 H HIS 137 HN HIS 137 23.331 -4.782 -0.539 1070 HA HIS 137 HA HIS 137 24.517 -2.872 -0.212 1071 HD1 HIS 137 1HD HIS 137 25.557 -0.600 -4.153 1072 HD2 HIS 137 2HD HIS 137 26.557 -1.251 -0.165 1073 HE1 HIS 137 1HE HIS 137 26.986 1.363 -3.480 1074 HE2 HIS 137 2HE HIS 137 27.574 0.960 -1.061 1075 HB2 HIS 137 2HB HIS 137 25.661 -3.443 -2.320 1076 HB3 HIS 137 1HB HIS 137 24.420 -2.592 -3.227 1077 H HIS 138 HN HIS 138 21.465 -3.075 -1.092 1078 HA HIS 138 HA HIS 138 20.697 -0.372 -1.572 1079 HD1 HIS 138 1HD HIS 138 18.106 -0.751 -3.443 1080 HD2 HIS 138 2HD HIS 138 17.183 -0.593 0.613 1081 HE1 HIS 138 1HE HIS 138 16.046 0.677 -3.269 1082 HE2 HIS 138 2HE HIS 138 15.534 0.826 -0.809 1083 HB2 HIS 138 2HB HIS 138 19.339 -2.491 -2.035 1084 HB3 HIS 138 1HB HIS 138 19.011 -2.544 -0.309 1085 H HIS 139 HN HIS 139 20.130 1.223 -0.069 1086 HA HIS 139 HA HIS 139 21.436 0.997 2.441 1087 HD1 HIS 139 1HD HIS 139 19.031 4.047 4.036 1088 HD2 HIS 139 2HD HIS 139 23.057 3.406 3.221 1089 HE1 HIS 139 1HE HIS 139 20.279 5.024 5.985 1090 HE2 HIS 139 2HE HIS 139 22.698 4.455 5.557 1091 HB2 HIS 139 2HB HIS 139 21.083 3.143 1.127 1092 HB3 HIS 139 1HB HIS 139 19.424 3.129 1.723 1093 H HIS 140 HN HIS 140 20.741 0.323 4.334 1094 HA HIS 140 HA HIS 140 17.886 -0.384 4.572 1095 HD1 HIS 140 1HD HIS 140 21.447 -3.455 4.919 1096 HD2 HIS 140 2HD HIS 140 17.872 -2.536 2.997 1097 HE1 HIS 140 1HE HIS 140 21.392 -4.899 2.869 1098 HE2 HIS 140 2HE HIS 140 19.128 -4.492 1.847 1099 HB2 HIS 140 2HB HIS 140 20.239 -1.605 6.040 1100 HB3 HIS 140 1HB HIS 140 18.568 -2.141 6.115 1101 H HIS 141 HN HIS 141 16.838 -0.019 6.584 1102 HA HIS 141 HA HIS 141 18.128 2.015 8.250 1103 HD1 HIS 141 1HD HIS 141 14.504 -0.273 7.150 1104 HD2 HIS 141 2HD HIS 141 14.708 1.292 10.999 1105 HE1 HIS 141 1HE HIS 141 12.856 -1.600 8.516 1106 HE2 HIS 141 2HE HIS 141 13.174 -0.787 10.878 1107 HB2 HIS 141 2HB HIS 141 16.020 2.647 9.010 1108 HB3 HIS 141 1HB HIS 141 15.656 2.126 7.373 1109 H HIS 142 HN HIS 142 18.455 1.732 10.470 1110 HA HIS 142 HA HIS 142 18.019 -0.993 11.495 1111 HD1 HIS 142 1HD HIS 142 20.892 0.070 14.405 1112 HD2 HIS 142 2HD HIS 142 20.195 -3.257 12.002 1113 HE1 HIS 142 1HE HIS 142 21.443 -1.928 15.833 1114 HE2 HIS 142 2HE HIS 142 21.177 -3.913 14.304 1115 HB2 HIS 142 2HB HIS 142 20.405 -0.672 10.814 1116 HB3 HIS 142 1HB HIS 142 20.516 0.656 11.962 Start of MODEL 8 1 HA MET 1 HA MET 1 7.290 17.198 4.376 2 H1 MET 1 1HT MET 1 7.359 14.989 3.349 3 H2 MET 1 2HT MET 1 6.236 14.432 4.496 4 H3 MET 1 3HT MET 1 7.765 14.955 4.996 5 HB2 MET 1 2HB MET 1 4.511 16.233 3.662 6 HB3 MET 1 1HB MET 1 5.138 17.867 3.506 7 HG2 MET 1 2HG MET 1 5.889 15.448 1.894 8 HG3 MET 1 1HG MET 1 5.057 16.900 1.342 9 HE1 MET 1 3HE MET 1 7.571 15.613 -0.137 10 HE2 MET 1 1HE MET 1 8.489 17.067 -0.532 11 HE3 MET 1 2HE MET 1 6.736 17.059 -0.702 12 H ALA 2 HN ALA 2 7.449 17.755 6.463 13 HA ALA 2 HA ALA 2 6.978 18.069 8.664 14 HB1 ALA 2 1HB ALA 2 4.646 18.224 9.371 15 HB2 ALA 2 2HB ALA 2 4.130 17.492 7.850 16 HB3 ALA 2 3HB ALA 2 4.906 19.077 7.846 17 H ASN 3 HN ASN 3 5.379 16.813 10.505 18 HA ASN 3 HA ASN 3 5.869 13.940 10.090 19 HB2 ASN 3 2HB ASN 3 6.788 13.693 12.329 20 HB3 ASN 3 1HB ASN 3 7.736 14.868 11.426 21 HD21 ASN 3 1HD2 ASN 3 5.639 14.342 14.123 22 HD22 ASN 3 2HD2 ASN 3 5.797 15.923 14.811 23 H ASP 4 HN ASP 4 3.583 16.138 10.542 24 HA ASP 4 HA ASP 4 2.129 14.740 12.649 25 HB2 ASP 4 2HB ASP 4 1.622 17.322 11.192 26 HB3 ASP 4 1HB ASP 4 0.380 16.562 12.180 27 H THR 5 HN THR 5 0.608 13.322 12.298 28 HA THR 5 HA THR 5 -0.449 12.985 9.576 29 HB THR 5 HB THR 5 -1.189 10.758 10.329 30 HG1 THR 5 1HG THR 5 -0.260 11.722 12.821 31 HG21 THR 5 3HG2 THR 5 1.013 9.721 10.627 32 HG22 THR 5 1HG2 THR 5 1.706 11.300 10.990 33 HG23 THR 5 2HG2 THR 5 1.056 10.972 9.385 34 HA PRO 6 HA PRO 6 -4.629 14.173 10.670 35 HB2 PRO 6 2HB PRO 6 -5.555 11.354 10.416 36 HB3 PRO 6 1HB PRO 6 -6.177 12.813 9.641 37 HG2 PRO 6 2HG PRO 6 -4.726 11.051 8.269 38 HG3 PRO 6 1HG PRO 6 -4.541 12.794 7.998 39 HD2 PRO 6 2HD PRO 6 -2.772 10.907 9.486 40 HD3 PRO 6 1HD PRO 6 -2.340 12.301 8.475 41 H PHE 7 HN PHE 7 -3.708 11.026 12.007 42 HA PHE 7 HA PHE 7 -3.807 10.106 14.074 43 HD1 PHE 7 1HD PHE 7 -1.614 10.043 15.365 44 HD2 PHE 7 2HD PHE 7 -4.329 12.550 17.480 45 HE1 PHE 7 1HE PHE 7 -0.930 8.994 17.483 46 HE2 PHE 7 2HE PHE 7 -3.650 11.503 19.600 47 HZ PHE 7 HZ PHE 7 -1.949 9.723 19.603 48 HB2 PHE 7 2HB PHE 7 -2.523 12.316 14.467 49 HB3 PHE 7 1HB PHE 7 -4.008 12.892 15.212 50 H SER 8 HN SER 8 -6.323 11.021 12.630 51 HA SER 8 HA SER 8 -8.220 11.584 14.706 52 HG SER 8 HG SER 8 -8.425 13.316 12.208 53 HB2 SER 8 2HB SER 8 -9.003 10.612 11.978 54 HB3 SER 8 1HB SER 8 -9.758 11.852 12.983 55 H ALA 9 HN ALA 9 -10.080 10.189 15.162 56 HA ALA 9 HA ALA 9 -9.349 7.523 15.775 57 HB1 ALA 9 1HB ALA 9 -12.091 8.774 15.658 58 HB2 ALA 9 2HB ALA 9 -11.015 8.768 17.055 59 HB3 ALA 9 3HB ALA 9 -11.684 7.253 16.450 60 H LEU 10 HN LEU 10 -10.945 9.008 13.074 61 HA LEU 10 HA LEU 10 -11.963 6.715 11.799 62 HG LEU 10 HG LEU 10 -13.718 8.494 11.451 63 HB2 LEU 10 2HB LEU 10 -10.950 9.289 10.579 64 HB3 LEU 10 1HB LEU 10 -11.867 8.071 9.720 65 HD11 LEU 10 1HD1 LEU 10 -12.075 10.989 11.864 66 HD12 LEU 10 2HD1 LEU 10 -12.393 9.739 13.067 67 HD13 LEU 10 3HD1 LEU 10 -13.717 10.726 12.450 68 HD21 LEU 10 3HD2 LEU 10 -14.569 10.394 10.177 69 HD22 LEU 10 1HD2 LEU 10 -13.859 9.175 9.121 70 HD23 LEU 10 2HD2 LEU 10 -12.968 10.652 9.486 71 H TRP 11 HN TRP 11 -8.786 8.048 12.048 72 HA TRP 11 HA TRP 11 -7.658 6.454 9.924 73 HD1 TRP 11 1HD TRP 11 -4.381 6.848 12.803 74 HE1 TRP 11 1HE TRP 11 -2.203 6.193 11.610 75 HE3 TRP 11 3HE TRP 11 -5.732 7.946 7.994 76 HZ2 TRP 11 2HZ TRP 11 -1.187 6.147 8.977 77 HZ3 TRP 11 3HZ TRP 11 -4.094 7.567 6.198 78 HH2 TRP 11 2HH TRP 11 -1.869 6.686 6.682 79 HB2 TRP 11 2HB TRP 11 -6.666 8.599 10.327 80 HB3 TRP 11 1HB TRP 11 -6.486 8.264 12.043 81 H GLN 12 HN GLN 12 -7.428 6.548 13.461 82 HA GLN 12 HA GLN 12 -5.721 4.378 13.808 83 HB2 GLN 12 2HB GLN 12 -6.292 6.070 15.536 84 HB3 GLN 12 1HB GLN 12 -7.871 5.320 15.710 85 HG2 GLN 12 2HG GLN 12 -6.831 3.264 16.475 86 HG3 GLN 12 1HG GLN 12 -5.233 3.972 16.249 87 HE21 GLN 12 1HE2 GLN 12 -8.102 3.926 18.199 88 HE22 GLN 12 2HE2 GLN 12 -7.459 4.829 19.531 89 H ARG 13 HN ARG 13 -9.220 4.424 13.380 90 HA ARG 13 HA ARG 13 -9.733 1.827 14.346 91 HE ARG 13 HE ARG 13 -13.280 4.991 13.067 92 HB2 ARG 13 2HB ARG 13 -11.860 1.960 13.150 93 HB3 ARG 13 1HB ARG 13 -11.525 3.453 14.016 94 HG2 ARG 13 2HG ARG 13 -11.064 4.627 12.057 95 HG3 ARG 13 1HG ARG 13 -10.838 3.149 11.119 96 HD2 ARG 13 2HD ARG 13 -12.943 4.167 10.532 97 HD3 ARG 13 1HD ARG 13 -13.230 2.649 11.377 98 HH11 ARG 13 1HH1 ARG 13 -15.125 2.751 11.108 99 HH12 ARG 13 2HH1 ARG 13 -16.659 3.232 11.774 100 HH21 ARG 13 1HH2 ARG 13 -15.290 5.610 13.973 101 HH22 ARG 13 2HH2 ARG 13 -16.752 4.848 13.405 102 H LEU 14 HN LEU 14 -8.557 2.946 11.237 103 HA LEU 14 HA LEU 14 -9.028 0.450 9.901 104 HG LEU 14 HG LEU 14 -8.805 2.769 7.075 105 HB2 LEU 14 2HB LEU 14 -7.576 2.965 9.221 106 HB3 LEU 14 1HB LEU 14 -7.189 1.514 8.317 107 HD11 LEU 14 1HD1 LEU 14 -9.069 0.368 6.988 108 HD12 LEU 14 2HD1 LEU 14 -10.640 1.161 6.896 109 HD13 LEU 14 3HD1 LEU 14 -10.119 0.410 8.403 110 HD21 LEU 14 3HD2 LEU 14 -11.010 3.331 7.949 111 HD22 LEU 14 1HD2 LEU 14 -9.732 4.108 8.884 112 HD23 LEU 14 2HD2 LEU 14 -10.554 2.686 9.527 113 H LEU 15 HN LEU 15 -6.440 1.876 11.744 114 HA LEU 15 HA LEU 15 -4.372 0.103 11.018 115 HG LEU 15 HG LEU 15 -4.801 3.199 11.920 116 HB2 LEU 15 2HB LEU 15 -4.748 1.498 13.669 117 HB3 LEU 15 1HB LEU 15 -3.245 0.861 13.031 118 HD11 LEU 15 1HD1 LEU 15 -3.646 3.687 14.013 119 HD12 LEU 15 2HD1 LEU 15 -2.889 4.516 12.653 120 HD13 LEU 15 3HD1 LEU 15 -2.143 3.071 13.331 121 HD21 LEU 15 3HD2 LEU 15 -3.688 1.906 10.155 122 HD22 LEU 15 1HD2 LEU 15 -2.160 2.050 11.023 123 HD23 LEU 15 2HD2 LEU 15 -2.947 3.490 10.378 124 H THR 16 HN THR 16 -7.008 -0.101 13.283 125 HA THR 16 HA THR 16 -6.179 -2.256 14.860 126 HB THR 16 HB THR 16 -9.018 -1.645 14.008 127 HG1 THR 16 1HG THR 16 -7.305 -0.451 15.934 128 HG21 THR 16 3HG2 THR 16 -8.776 -3.772 15.183 129 HG22 THR 16 1HG2 THR 16 -9.598 -2.594 16.204 130 HG23 THR 16 2HG2 THR 16 -7.898 -2.968 16.483 131 H ARG 17 HN ARG 17 -7.304 -2.148 11.581 132 HA ARG 17 HA ARG 17 -8.076 -4.933 11.494 133 HE ARG 17 HE ARG 17 -10.628 -6.173 7.612 134 HB2 ARG 17 2HB ARG 17 -9.098 -2.978 10.157 135 HB3 ARG 17 1HB ARG 17 -7.699 -3.139 9.107 136 HG2 ARG 17 2HG ARG 17 -8.313 -5.428 8.596 137 HG3 ARG 17 1HG ARG 17 -9.678 -5.326 9.707 138 HD2 ARG 17 2HD ARG 17 -10.543 -3.430 8.316 139 HD3 ARG 17 1HD ARG 17 -9.275 -3.794 7.147 140 HH11 ARG 17 1HH1 ARG 17 -11.355 -2.999 6.310 141 HH12 ARG 17 2HH1 ARG 17 -12.642 -3.574 5.298 142 HH21 ARG 17 1HH2 ARG 17 -12.338 -6.915 6.290 143 HH22 ARG 17 2HH2 ARG 17 -13.190 -5.788 5.276 144 H GLY 18 HN GLY 18 -5.183 -3.686 11.853 145 HA2 GLY 18 2HA GLY 18 -3.212 -4.971 11.727 146 HA3 GLY 18 1HA GLY 18 -3.936 -5.915 10.434 147 H TRP 19 HN TRP 19 -4.159 -2.487 10.246 148 HA TRP 19 HA TRP 19 -2.384 -2.545 7.927 149 HD1 TRP 19 1HD TRP 19 -4.490 -3.804 7.736 150 HE1 TRP 19 1HE TRP 19 -6.373 -4.269 6.058 151 HE3 TRP 19 3HE TRP 19 -5.589 1.003 6.403 152 HZ2 TRP 19 2HZ TRP 19 -8.108 -2.793 4.387 153 HZ3 TRP 19 3HZ TRP 19 -7.371 1.388 4.755 154 HH2 TRP 19 2HH TRP 19 -8.600 -0.470 3.766 155 HB2 TRP 19 2HB TRP 19 -4.389 -0.498 8.884 156 HB3 TRP 19 1HB TRP 19 -3.361 -0.277 7.473 157 H GLN 20 HN GLN 20 -0.477 -1.598 7.864 158 HA GLN 20 HA GLN 20 0.545 -0.441 10.333 159 HB2 GLN 20 2HB GLN 20 1.766 -1.668 7.889 160 HB3 GLN 20 1HB GLN 20 2.729 -0.597 8.881 161 HG2 GLN 20 2HG GLN 20 3.180 -2.840 9.529 162 HG3 GLN 20 1HG GLN 20 2.282 -2.060 10.826 163 HE21 GLN 20 1HE2 GLN 20 0.234 -2.763 11.317 164 HE22 GLN 20 2HE2 GLN 20 -0.442 -4.214 10.665 165 HA PRO 21 HA PRO 21 0.411 3.606 8.369 166 HB2 PRO 21 2HB PRO 21 1.172 5.020 10.537 167 HB3 PRO 21 1HB PRO 21 -0.466 4.381 10.356 168 HG2 PRO 21 2HG PRO 21 1.814 3.331 11.978 169 HG3 PRO 21 1HG PRO 21 0.088 3.397 12.378 170 HD2 PRO 21 2HD PRO 21 1.390 1.142 11.480 171 HD3 PRO 21 1HD PRO 21 -0.352 1.428 11.308 172 H VAL 22 HN VAL 22 2.030 4.046 6.999 173 HA VAL 22 HA VAL 22 4.796 3.877 8.007 174 HB VAL 22 HB VAL 22 5.489 3.570 5.642 175 HG11 VAL 22 1HG1 VAL 22 4.707 1.255 5.426 176 HG12 VAL 22 2HG1 VAL 22 3.479 1.561 6.653 177 HG13 VAL 22 3HG1 VAL 22 5.188 1.631 7.081 178 HG21 VAL 22 3HG2 VAL 22 2.527 3.344 5.105 179 HG22 VAL 22 1HG2 VAL 22 3.820 3.029 3.948 180 HG23 VAL 22 2HG2 VAL 22 3.571 4.661 4.571 181 H GLU 23 HN GLU 23 6.325 5.293 6.641 182 HA GLU 23 HA GLU 23 5.145 7.984 6.480 183 HB2 GLU 23 2HB GLU 23 7.964 7.139 7.182 184 HB3 GLU 23 1HB GLU 23 7.456 8.807 6.954 185 HG2 GLU 23 2HG GLU 23 5.952 8.652 8.831 186 HG3 GLU 23 1HG GLU 23 6.328 6.940 9.030 187 H ALA 24 HN ALA 24 6.558 9.456 5.012 188 HA ALA 24 HA ALA 24 6.348 8.311 2.397 189 HB1 ALA 24 1HB ALA 24 5.775 10.650 2.828 190 HB2 ALA 24 2HB ALA 24 7.023 10.512 1.593 191 HB3 ALA 24 3HB ALA 24 7.456 10.990 3.235 192 H SER 25 HN SER 25 9.058 9.518 4.341 193 HA SER 25 HA SER 25 11.004 8.739 2.389 194 HG SER 25 HG SER 25 11.878 11.617 4.224 195 HB2 SER 25 2HB SER 25 11.436 9.516 5.281 196 HB3 SER 25 1HB SER 25 12.631 9.548 3.985 197 H THR 26 HN THR 26 9.541 7.277 5.186 198 HA THR 26 HA THR 26 11.694 5.353 5.502 199 HB THR 26 HB THR 26 9.139 5.475 7.104 200 HG1 THR 26 1HG THR 26 10.660 6.754 8.553 201 HG21 THR 26 3HG2 THR 26 10.517 3.483 7.443 202 HG22 THR 26 1HG2 THR 26 10.562 4.518 8.869 203 HG23 THR 26 2HG2 THR 26 11.927 4.497 7.752 204 H VAL 27 HN VAL 27 8.759 5.516 3.784 205 HA VAL 27 HA VAL 27 7.819 2.875 4.039 206 HB VAL 27 HB VAL 27 6.508 4.726 3.026 207 HG11 VAL 27 1HG1 VAL 27 8.248 4.275 0.599 208 HG12 VAL 27 2HG1 VAL 27 8.253 5.711 1.622 209 HG13 VAL 27 3HG1 VAL 27 6.820 5.308 0.677 210 HG21 VAL 27 3HG2 VAL 27 5.426 3.370 1.293 211 HG22 VAL 27 1HG2 VAL 27 5.785 2.428 2.740 212 HG23 VAL 27 2HG2 VAL 27 6.800 2.264 1.306 213 H ASP 28 HN ASP 28 10.369 4.260 2.092 214 HA ASP 28 HA ASP 28 10.761 2.207 0.232 215 HB2 ASP 28 2HB ASP 28 11.877 4.360 0.019 216 HB3 ASP 28 1HB ASP 28 12.773 4.074 1.507 217 H ASP 29 HN ASP 29 12.169 2.688 3.438 218 HA ASP 29 HA ASP 29 13.820 0.390 3.417 219 HB2 ASP 29 2HB ASP 29 14.013 2.405 4.954 220 HB3 ASP 29 1HB ASP 29 12.651 1.752 5.857 221 H TRP 30 HN TRP 30 10.552 1.021 4.569 222 HA TRP 30 HA TRP 30 10.047 -1.418 5.837 223 HD1 TRP 30 1HD TRP 30 7.700 -1.277 7.817 224 HE1 TRP 30 1HE TRP 30 5.599 -2.774 7.773 225 HE3 TRP 30 3HE TRP 30 6.562 -0.906 2.843 226 HZ2 TRP 30 2HZ TRP 30 3.708 -3.663 5.864 227 HZ3 TRP 30 3HZ TRP 30 4.594 -2.110 1.990 228 HH2 TRP 30 2HH TRP 30 3.198 -3.460 3.468 229 HB2 TRP 30 2HB TRP 30 8.600 0.569 6.043 230 HB3 TRP 30 1HB TRP 30 8.096 0.373 4.368 231 H ILE 31 HN ILE 31 9.398 -0.415 2.484 232 HA ILE 31 HA ILE 31 8.266 -2.822 1.598 233 HB ILE 31 HB ILE 31 9.853 -0.784 0.027 234 HG12 ILE 31 2HG1 ILE 31 6.858 -1.123 0.290 235 HG13 ILE 31 1HG1 ILE 31 7.803 0.039 1.215 236 HG21 ILE 31 1HG2 ILE 31 8.749 -1.701 -1.952 237 HG22 ILE 31 2HG2 ILE 31 7.992 -2.946 -0.958 238 HG23 ILE 31 3HG2 ILE 31 9.745 -2.918 -1.154 239 HD11 ILE 31 3HD1 ILE 31 7.525 -0.023 -1.781 240 HD12 ILE 31 1HD1 ILE 31 8.464 1.149 -0.854 241 HD13 ILE 31 2HD1 ILE 31 6.709 1.089 -0.681 242 H LYS 32 HN LYS 32 11.635 -1.736 1.654 243 HA LYS 32 HA LYS 32 12.736 -3.958 0.308 244 HB2 LYS 32 2HB LYS 32 13.818 -1.696 0.791 245 HB3 LYS 32 1HB LYS 32 14.131 -2.295 2.412 246 HG2 LYS 32 2HG LYS 32 15.057 -3.920 0.108 247 HG3 LYS 32 1HG LYS 32 15.931 -2.447 0.500 248 HD2 LYS 32 2HD LYS 32 15.314 -4.337 2.705 249 HD3 LYS 32 1HD LYS 32 16.577 -4.785 1.563 250 HE2 LYS 32 2HE LYS 32 17.561 -3.647 3.452 251 HE3 LYS 32 1HE LYS 32 17.705 -2.640 2.015 252 HZ1 LYS 32 3HZ LYS 32 15.864 -1.306 2.768 253 HZ2 LYS 32 1HZ LYS 32 17.042 -1.381 3.987 254 HZ3 LYS 32 2HZ LYS 32 15.633 -2.311 4.118 255 H ARG 33 HN ARG 33 11.616 -3.505 3.531 256 HA ARG 33 HA ARG 33 13.104 -5.676 4.716 257 HE ARG 33 HE ARG 33 11.466 -6.266 9.493 258 HB2 ARG 33 2HB ARG 33 12.381 -3.677 5.980 259 HB3 ARG 33 1HB ARG 33 10.711 -4.133 5.728 260 HG2 ARG 33 2HG ARG 33 11.125 -6.217 6.991 261 HG3 ARG 33 1HG ARG 33 12.762 -5.642 7.330 262 HD2 ARG 33 2HD ARG 33 11.877 -3.701 8.470 263 HD3 ARG 33 1HD ARG 33 10.231 -4.177 8.061 264 HH11 ARG 33 1HH1 ARG 33 10.247 -3.018 9.935 265 HH12 ARG 33 2HH1 ARG 33 9.857 -3.241 11.611 266 HH21 ARG 33 1HH2 ARG 33 10.983 -6.569 11.718 267 HH22 ARG 33 2HH2 ARG 33 10.295 -5.259 12.636 268 H VAL 34 HN VAL 34 9.771 -5.069 3.723 269 HA VAL 34 HA VAL 34 8.931 -7.715 4.524 270 HB VAL 34 HB VAL 34 6.704 -7.072 3.688 271 HG11 VAL 34 1HG1 VAL 34 8.031 -5.017 5.453 272 HG12 VAL 34 2HG1 VAL 34 7.366 -6.562 5.978 273 HG13 VAL 34 3HG1 VAL 34 6.297 -5.312 5.342 274 HG21 VAL 34 3HG2 VAL 34 7.347 -5.641 1.825 275 HG22 VAL 34 1HG2 VAL 34 8.044 -4.469 2.944 276 HG23 VAL 34 2HG2 VAL 34 6.305 -4.762 2.944 277 H GLY 35 HN GLY 35 9.412 -6.040 1.425 278 HA2 GLY 35 2HA GLY 35 10.053 -7.061 -0.583 279 HA3 GLY 35 1HA GLY 35 9.647 -8.627 0.107 280 H ASP 36 HN ASP 36 7.172 -8.541 0.825 281 HA ASP 36 HA ASP 36 5.672 -7.820 -1.601 282 HB2 ASP 36 2HB ASP 36 5.079 -10.031 0.379 283 HB3 ASP 36 1HB ASP 36 4.209 -9.700 -1.107 284 H GLY 37 HN GLY 37 3.761 -6.695 -1.378 285 HA2 GLY 37 2HA GLY 37 2.108 -6.538 0.803 286 HA3 GLY 37 1HA GLY 37 3.364 -5.354 1.128 287 H VAL 38 HN VAL 38 0.949 -4.361 1.024 288 HA VAL 38 HA VAL 38 0.865 -2.975 -1.564 289 HB VAL 38 HB VAL 38 -1.654 -2.852 -1.313 290 HG11 VAL 38 1HG1 VAL 38 -2.034 -5.057 -2.311 291 HG12 VAL 38 2HG1 VAL 38 -0.431 -5.571 -1.781 292 HG13 VAL 38 3HG1 VAL 38 -0.594 -4.284 -2.977 293 HG21 VAL 38 3HG2 VAL 38 -2.736 -4.629 -0.008 294 HG22 VAL 38 1HG2 VAL 38 -1.825 -3.524 1.022 295 HG23 VAL 38 2HG2 VAL 38 -1.164 -5.112 0.627 296 H ILE 39 HN ILE 39 0.892 -0.847 -1.388 297 HA ILE 39 HA ILE 39 0.323 0.341 1.248 298 HB ILE 39 HB ILE 39 2.118 1.398 -0.957 299 HG12 ILE 39 2HG1 ILE 39 3.844 1.222 0.974 300 HG13 ILE 39 1HG1 ILE 39 2.688 0.117 1.708 301 HG21 ILE 39 1HG2 ILE 39 1.445 2.591 1.729 302 HG22 ILE 39 2HG2 ILE 39 1.014 3.233 0.143 303 HG23 ILE 39 3HG2 ILE 39 2.704 3.183 0.642 304 HD11 ILE 39 3HD1 ILE 39 3.988 -0.225 -0.986 305 HD12 ILE 39 1HD1 ILE 39 2.838 -1.336 -0.244 306 HD13 ILE 39 2HD1 ILE 39 4.416 -1.080 0.497 307 H LEU 40 HN LEU 40 -1.250 1.866 1.381 308 HA LEU 40 HA LEU 40 -2.788 2.447 -1.018 309 HG LEU 40 HG LEU 40 -3.667 0.824 1.550 310 HB2 LEU 40 2HB LEU 40 -3.235 3.200 1.873 311 HB3 LEU 40 1HB LEU 40 -4.330 3.605 0.565 312 HD11 LEU 40 1HD1 LEU 40 -6.207 2.438 1.660 313 HD12 LEU 40 2HD1 LEU 40 -5.150 2.070 3.021 314 HD13 LEU 40 3HD1 LEU 40 -6.015 0.771 2.201 315 HD21 LEU 40 3HD2 LEU 40 -5.285 0.025 -0.061 316 HD22 LEU 40 1HD2 LEU 40 -3.991 0.887 -0.891 317 HD23 LEU 40 2HD2 LEU 40 -5.554 1.665 -0.647 318 H LEU 41 HN LEU 41 -2.653 4.271 -2.162 319 HA LEU 41 HA LEU 41 -0.758 6.294 -1.404 320 HG LEU 41 HG LEU 41 -0.358 4.718 -3.841 321 HB2 LEU 41 2HB LEU 41 -2.510 5.865 -3.793 322 HB3 LEU 41 1HB LEU 41 -1.702 7.402 -3.553 323 HD11 LEU 41 1HD1 LEU 41 -1.256 5.511 -5.936 324 HD12 LEU 41 2HD1 LEU 41 0.501 5.680 -5.939 325 HD13 LEU 41 3HD1 LEU 41 -0.522 7.096 -5.684 326 HD21 LEU 41 3HD2 LEU 41 0.848 7.467 -3.535 327 HD22 LEU 41 1HD2 LEU 41 1.733 5.968 -3.828 328 HD23 LEU 41 2HD2 LEU 41 0.858 6.195 -2.312 329 H SER 42 HN SER 42 -1.786 8.592 -2.351 330 HA SER 42 HA SER 42 -3.182 9.521 -0.068 331 HG SER 42 HG SER 42 -3.329 10.656 -3.353 332 HB2 SER 42 2HB SER 42 -2.981 11.708 -1.167 333 HB3 SER 42 1HB SER 42 -1.464 10.827 -1.249 334 H SER 43 HN SER 43 -5.298 9.287 0.244 335 HA SER 43 HA SER 43 -7.017 8.766 -2.035 336 HG SER 43 HG SER 43 -9.108 7.023 -0.623 337 HB2 SER 43 2HB SER 43 -7.120 7.281 -0.054 338 HB3 SER 43 1HB SER 43 -7.660 8.646 0.920 339 H ASP 44 HN ASP 44 -7.202 10.788 -2.966 340 HA ASP 44 HA ASP 44 -9.406 12.279 -1.842 341 HB2 ASP 44 2HB ASP 44 -7.414 13.501 -0.966 342 HB3 ASP 44 1HB ASP 44 -6.873 13.753 -2.623 343 HA PRO 45 HA PRO 45 -9.647 11.819 -6.348 344 HB2 PRO 45 2HB PRO 45 -12.158 10.694 -6.318 345 HB3 PRO 45 1HB PRO 45 -10.652 9.783 -6.210 346 HG2 PRO 45 2HG PRO 45 -12.666 10.164 -4.187 347 HG3 PRO 45 1HG PRO 45 -11.201 9.176 -4.107 348 HD2 PRO 45 2HD PRO 45 -11.709 11.861 -3.021 349 HD3 PRO 45 1HD PRO 45 -10.441 10.696 -2.592 350 H ARG 46 HN ARG 46 -9.819 14.045 -6.763 351 HA ARG 46 HA ARG 46 -12.497 15.238 -6.598 352 HE ARG 46 HE ARG 46 -11.130 19.434 -4.427 353 HB2 ARG 46 2HB ARG 46 -9.931 16.477 -7.612 354 HB3 ARG 46 1HB ARG 46 -11.442 17.314 -7.300 355 HG2 ARG 46 2HG ARG 46 -11.182 16.714 -4.888 356 HG3 ARG 46 1HG ARG 46 -9.580 16.086 -5.282 357 HD2 ARG 46 2HD ARG 46 -9.129 18.256 -4.585 358 HD3 ARG 46 1HD ARG 46 -9.175 18.405 -6.341 359 HH11 ARG 46 1HH1 ARG 46 -10.241 18.972 -7.801 360 HH12 ARG 46 2HH1 ARG 46 -11.369 20.162 -8.378 361 HH21 ARG 46 1HH2 ARG 46 -12.551 21.035 -5.197 362 HH22 ARG 46 2HH2 ARG 46 -12.663 21.338 -6.902 363 H ARG 47 HN ARG 47 -10.160 13.954 -8.811 364 HA ARG 47 HA ARG 47 -11.791 14.659 -11.122 365 HE ARG 47 HE ARG 47 -10.038 17.151 -13.932 366 HB2 ARG 47 2HB ARG 47 -9.000 13.922 -10.684 367 HB3 ARG 47 1HB ARG 47 -9.723 13.066 -12.037 368 HG2 ARG 47 2HG ARG 47 -9.715 16.057 -11.689 369 HG3 ARG 47 1HG ARG 47 -8.609 15.144 -12.720 370 HD2 ARG 47 2HD ARG 47 -10.526 14.292 -13.992 371 HD3 ARG 47 1HD ARG 47 -11.612 15.237 -12.977 372 HH11 ARG 47 1HH1 ARG 47 -11.472 14.417 -15.557 373 HH12 ARG 47 2HH1 ARG 47 -11.704 15.256 -17.064 374 HH21 ARG 47 1HH2 ARG 47 -10.343 18.282 -15.922 375 HH22 ARG 47 2HH2 ARG 47 -11.066 17.447 -17.270 376 H THR 48 HN THR 48 -13.509 13.426 -11.305 377 HA THR 48 HA THR 48 -14.824 11.625 -11.673 378 HB THR 48 HB THR 48 -12.291 9.975 -11.752 379 HG1 THR 48 1HG THR 48 -13.562 11.635 -13.630 380 HG21 THR 48 3HG2 THR 48 -13.640 8.398 -13.065 381 HG22 THR 48 1HG2 THR 48 -15.056 9.428 -12.847 382 HG23 THR 48 2HG2 THR 48 -14.322 8.633 -11.456 383 HA PRO 49 HA PRO 49 -14.775 10.358 -7.293 384 HB2 PRO 49 2HB PRO 49 -17.552 11.135 -7.242 385 HB3 PRO 49 1HB PRO 49 -16.198 11.871 -6.384 386 HG2 PRO 49 2HG PRO 49 -17.586 13.102 -8.405 387 HG3 PRO 49 1HG PRO 49 -15.912 13.487 -7.967 388 HD2 PRO 49 2HD PRO 49 -16.947 11.773 -10.194 389 HD3 PRO 49 1HD PRO 49 -15.596 12.929 -10.196 390 H GLU 50 HN GLU 50 -17.084 9.258 -6.317 391 HA GLU 50 HA GLU 50 -18.435 7.424 -6.312 392 HB2 GLU 50 2HB GLU 50 -19.262 8.623 -8.441 393 HB3 GLU 50 1HB GLU 50 -18.314 7.441 -9.326 394 HG2 GLU 50 2HG GLU 50 -20.604 6.746 -9.262 395 HG3 GLU 50 1HG GLU 50 -19.636 5.641 -8.282 396 H VAL 51 HN VAL 51 -15.491 7.265 -6.441 397 HA VAL 51 HA VAL 51 -15.244 4.432 -6.837 398 HB VAL 51 HB VAL 51 -14.915 5.271 -9.146 399 HG11 VAL 51 1HG1 VAL 51 -12.887 6.564 -9.695 400 HG12 VAL 51 2HG1 VAL 51 -12.590 6.782 -7.969 401 HG13 VAL 51 3HG1 VAL 51 -14.035 7.470 -8.709 402 HG21 VAL 51 3HG2 VAL 51 -12.816 4.126 -9.607 403 HG22 VAL 51 1HG2 VAL 51 -13.776 3.239 -8.426 404 HG23 VAL 51 2HG2 VAL 51 -12.392 4.195 -7.898 405 H SER 52 HN SER 52 -13.442 3.584 -5.739 406 HA SER 52 HA SER 52 -11.950 3.478 -4.039 407 HG SER 52 HG SER 52 -11.109 4.015 -6.481 408 HB2 SER 52 2HB SER 52 -11.004 6.118 -5.186 409 HB3 SER 52 1HB SER 52 -10.085 5.079 -4.095 410 H ASP 53 HN ASP 53 -14.418 4.362 -3.317 411 HA ASP 53 HA ASP 53 -14.501 6.777 -1.857 412 HB2 ASP 53 2HB ASP 53 -16.151 4.417 -1.035 413 HB3 ASP 53 1HB ASP 53 -16.611 6.110 -1.153 414 H ASN 54 HN ASN 54 -13.826 3.444 -0.987 415 HA ASN 54 HA ASN 54 -12.042 4.132 1.101 416 HB2 ASN 54 2HB ASN 54 -14.210 4.558 2.283 417 HB3 ASN 54 1HB ASN 54 -14.662 2.880 1.990 418 HD21 ASN 54 1HD2 ASN 54 -12.556 5.018 3.755 419 HD22 ASN 54 2HD2 ASN 54 -12.034 3.860 4.924 420 HA PRO 55 HA PRO 55 -10.698 0.184 -0.340 421 HB2 PRO 55 2HB PRO 55 -9.061 -0.051 2.084 422 HB3 PRO 55 1HB PRO 55 -8.558 0.132 0.403 423 HG2 PRO 55 2HG PRO 55 -8.263 2.120 2.190 424 HG3 PRO 55 1HG PRO 55 -8.648 2.440 0.488 425 HD2 PRO 55 2HD PRO 55 -10.473 2.404 2.864 426 HD3 PRO 55 1HD PRO 55 -10.392 3.570 1.525 427 H VAL 56 HN VAL 56 -13.144 0.013 1.137 428 HA VAL 56 HA VAL 56 -12.823 -2.316 2.839 429 HB VAL 56 HB VAL 56 -15.396 -2.279 2.827 430 HG11 VAL 56 1HG1 VAL 56 -14.084 -1.599 4.741 431 HG12 VAL 56 2HG1 VAL 56 -15.439 -0.489 4.528 432 HG13 VAL 56 3HG1 VAL 56 -13.816 -0.008 4.028 433 HG21 VAL 56 3HG2 VAL 56 -15.696 -0.824 0.885 434 HG22 VAL 56 1HG2 VAL 56 -14.865 0.483 1.728 435 HG23 VAL 56 2HG2 VAL 56 -16.415 -0.108 2.326 436 H MET 57 HN MET 57 -11.883 -3.619 1.330 437 HA MET 57 HA MET 57 -13.283 -5.508 -0.052 438 HB2 MET 57 2HB MET 57 -13.099 -4.895 -2.408 439 HB3 MET 57 1HB MET 57 -14.072 -3.698 -1.566 440 HG2 MET 57 2HG MET 57 -12.294 -2.119 -1.580 441 HG3 MET 57 1HG MET 57 -11.138 -3.331 -2.126 442 HE1 MET 57 3HE MET 57 -14.300 -1.205 -3.110 443 HE2 MET 57 1HE MET 57 -14.811 -2.863 -3.429 444 HE3 MET 57 2HE MET 57 -14.570 -1.742 -4.770 445 H ILE 58 HN ILE 58 -10.537 -3.534 0.396 446 HA ILE 58 HA ILE 58 -8.728 -4.844 -1.336 447 HB ILE 58 HB ILE 58 -8.599 -2.468 -0.363 448 HG12 ILE 58 2HG1 ILE 58 -6.110 -2.486 -0.459 449 HG13 ILE 58 1HG1 ILE 58 -6.144 -4.246 -0.410 450 HG21 ILE 58 1HG2 ILE 58 -7.281 -3.970 1.898 451 HG22 ILE 58 2HG2 ILE 58 -8.777 -3.040 1.987 452 HG23 ILE 58 3HG2 ILE 58 -7.250 -2.221 1.665 453 HD11 ILE 58 3HD1 ILE 58 -7.284 -2.495 -2.577 454 HD12 ILE 58 1HD1 ILE 58 -7.399 -4.256 -2.524 455 HD13 ILE 58 2HD1 ILE 58 -5.821 -3.479 -2.671 456 H ALA 59 HN ALA 59 -9.730 -5.444 1.946 457 HA ALA 59 HA ALA 59 -7.473 -6.955 2.763 458 HB1 ALA 59 1HB ALA 59 -9.037 -5.958 4.365 459 HB2 ALA 59 2HB ALA 59 -8.868 -7.695 4.618 460 HB3 ALA 59 3HB ALA 59 -10.301 -7.056 3.812 461 H GLU 60 HN GLU 60 -10.693 -7.900 1.601 462 HA GLU 60 HA GLU 60 -10.118 -10.687 1.627 463 HB2 GLU 60 2HB GLU 60 -12.253 -10.940 0.474 464 HB3 GLU 60 1HB GLU 60 -12.401 -9.834 1.834 465 HG2 GLU 60 2HG GLU 60 -12.027 -7.993 0.058 466 HG3 GLU 60 1HG GLU 60 -12.466 -9.252 -1.094 467 H LEU 61 HN LEU 61 -9.760 -8.149 -0.723 468 HA LEU 61 HA LEU 61 -9.513 -9.656 -3.071 469 HG LEU 61 HG LEU 61 -8.685 -6.501 -4.783 470 HB2 LEU 61 2HB LEU 61 -9.605 -7.087 -2.662 471 HB3 LEU 61 1HB LEU 61 -7.866 -7.208 -2.527 472 HD11 LEU 61 1HD1 LEU 61 -6.472 -7.470 -4.535 473 HD12 LEU 61 2HD1 LEU 61 -7.209 -7.981 -6.053 474 HD13 LEU 61 3HD1 LEU 61 -7.150 -9.091 -4.686 475 HD21 LEU 61 3HD2 LEU 61 -10.686 -7.868 -4.899 476 HD22 LEU 61 1HD2 LEU 61 -9.707 -9.335 -4.896 477 HD23 LEU 61 2HD2 LEU 61 -9.622 -8.219 -6.261 478 H LEU 62 HN LEU 62 -6.944 -8.390 -0.951 479 HA LEU 62 HA LEU 62 -4.850 -9.728 -2.275 480 HG LEU 62 HG LEU 62 -3.157 -7.074 -0.421 481 HB2 LEU 62 2HB LEU 62 -5.109 -8.379 0.371 482 HB3 LEU 62 1HB LEU 62 -3.691 -9.361 0.062 483 HD11 LEU 62 1HD1 LEU 62 -2.182 -8.746 -1.896 484 HD12 LEU 62 2HD1 LEU 62 -2.471 -7.235 -2.755 485 HD13 LEU 62 3HD1 LEU 62 -3.562 -8.601 -2.984 486 HD21 LEU 62 3HD2 LEU 62 -5.406 -6.215 -0.788 487 HD22 LEU 62 1HD2 LEU 62 -5.501 -7.093 -2.315 488 HD23 LEU 62 2HD2 LEU 62 -4.339 -5.780 -2.125 489 H ARG 63 HN ARG 63 -7.149 -10.860 0.005 490 HA ARG 63 HA ARG 63 -5.633 -13.064 1.006 491 HE ARG 63 HE ARG 63 -7.968 -10.656 4.903 492 HB2 ARG 63 2HB ARG 63 -8.594 -12.493 0.970 493 HB3 ARG 63 1HB ARG 63 -7.902 -13.933 1.704 494 HG2 ARG 63 2HG ARG 63 -6.648 -12.569 3.263 495 HG3 ARG 63 1HG ARG 63 -7.252 -11.100 2.496 496 HD2 ARG 63 2HD ARG 63 -9.521 -11.677 3.126 497 HD3 ARG 63 1HD ARG 63 -8.964 -13.199 3.816 498 HH11 ARG 63 1HH1 ARG 63 -9.769 -13.633 5.261 499 HH12 ARG 63 2HH1 ARG 63 -9.950 -13.470 6.984 500 HH21 ARG 63 1HH2 ARG 63 -8.183 -10.433 7.159 501 HH22 ARG 63 2HH2 ARG 63 -9.010 -11.660 8.072 502 H GLU 64 HN GLU 64 -6.871 -12.450 -2.018 503 HA GLU 64 HA GLU 64 -7.567 -15.171 -2.689 504 HB2 GLU 64 2HB GLU 64 -7.496 -12.552 -4.124 505 HB3 GLU 64 1HB GLU 64 -7.485 -14.033 -5.066 506 HG2 GLU 64 2HG GLU 64 -9.561 -13.351 -3.002 507 HG3 GLU 64 1HG GLU 64 -9.732 -13.054 -4.733 508 H PHE 65 HN PHE 65 -4.724 -13.508 -2.237 509 HA PHE 65 HA PHE 65 -3.290 -15.323 -4.068 510 HD1 PHE 65 2HD PHE 65 -3.616 -14.163 -6.193 511 HD2 PHE 65 1HD PHE 65 -3.144 -10.727 -3.731 512 HE1 PHE 65 2HE PHE 65 -4.937 -12.842 -7.795 513 HE2 PHE 65 1HE PHE 65 -4.471 -9.400 -5.321 514 HZ PHE 65 HZ PHE 65 -5.368 -10.456 -7.356 515 HB2 PHE 65 2HB PHE 65 -2.199 -12.693 -3.063 516 HB3 PHE 65 1HB PHE 65 -1.591 -13.685 -4.382 517 HA PRO 66 HA PRO 66 -2.089 -16.331 0.256 518 HB2 PRO 66 2HB PRO 66 -2.619 -18.943 0.226 519 HB3 PRO 66 1HB PRO 66 -3.928 -17.757 0.325 520 HG2 PRO 66 2HG PRO 66 -2.979 -19.340 -2.021 521 HG3 PRO 66 1HG PRO 66 -4.633 -18.908 -1.552 522 HD2 PRO 66 2HD PRO 66 -3.086 -17.591 -3.465 523 HD3 PRO 66 1HD PRO 66 -4.535 -16.937 -2.679 524 H GLN 67 HN GLN 67 -0.248 -15.944 -1.856 525 HA GLN 67 HA GLN 67 1.539 -18.269 -1.599 526 HB2 GLN 67 2HB GLN 67 1.651 -16.048 -3.648 527 HB3 GLN 67 1HB GLN 67 2.658 -17.488 -3.613 528 HG2 GLN 67 2HG GLN 67 0.640 -18.865 -3.948 529 HG3 GLN 67 1HG GLN 67 -0.311 -17.386 -4.083 530 HE21 GLN 67 1HE2 GLN 67 2.035 -19.432 -5.603 531 HE22 GLN 67 2HE2 GLN 67 1.962 -18.698 -7.166 532 H PHE 68 HN PHE 68 1.534 -14.733 -1.737 533 HA PHE 68 HA PHE 68 4.111 -14.632 -0.375 534 HD1 PHE 68 2HD PHE 68 5.247 -14.302 -2.687 535 HD2 PHE 68 1HD PHE 68 1.698 -12.075 -3.338 536 HE1 PHE 68 2HE PHE 68 5.440 -14.719 -5.110 537 HE2 PHE 68 1HE PHE 68 1.864 -12.477 -5.749 538 HZ PHE 68 HZ PHE 68 3.738 -13.806 -6.650 539 HB2 PHE 68 2HB PHE 68 2.499 -12.241 -1.227 540 HB3 PHE 68 1HB PHE 68 4.245 -12.388 -1.057 541 H ASP 69 HN ASP 69 4.306 -13.012 1.434 542 HA ASP 69 HA ASP 69 1.919 -13.180 3.144 543 HB2 ASP 69 2HB ASP 69 4.328 -13.994 3.853 544 HB3 ASP 69 1HB ASP 69 4.594 -12.281 4.167 545 H TRP 70 HN TRP 70 0.835 -11.475 2.145 546 HA TRP 70 HA TRP 70 2.073 -8.992 1.546 547 HD1 TRP 70 1HD TRP 70 -0.343 -12.050 0.489 548 HE1 TRP 70 1HE TRP 70 -0.057 -12.543 -2.020 549 HE3 TRP 70 3HE TRP 70 0.621 -7.308 -1.174 550 HZ2 TRP 70 2HZ TRP 70 0.477 -11.118 -4.384 551 HZ3 TRP 70 3HZ TRP 70 1.010 -6.966 -3.581 552 HH2 TRP 70 2HH TRP 70 0.940 -8.843 -5.151 553 HB2 TRP 70 2HB TRP 70 -0.871 -9.652 1.748 554 HB3 TRP 70 1HB TRP 70 -0.187 -8.224 0.985 555 H GLN 71 HN GLN 71 1.889 -7.019 2.537 556 HA GLN 71 HA GLN 71 0.489 -6.923 5.123 557 HB2 GLN 71 2HB GLN 71 2.986 -5.352 4.475 558 HB3 GLN 71 1HB GLN 71 2.182 -5.492 6.033 559 HG2 GLN 71 2HG GLN 71 2.717 -8.062 5.621 560 HG3 GLN 71 1HG GLN 71 4.015 -7.357 4.661 561 HE21 GLN 71 1HE2 GLN 71 4.171 -8.905 7.090 562 HE22 GLN 71 2HE2 GLN 71 4.974 -7.910 8.253 563 H VAL 72 HN VAL 72 -0.980 -5.299 5.274 564 HA VAL 72 HA VAL 72 -1.166 -3.454 3.014 565 HB VAL 72 HB VAL 72 -3.095 -3.732 5.322 566 HG11 VAL 72 1HG1 VAL 72 -3.271 -1.645 4.081 567 HG12 VAL 72 2HG1 VAL 72 -4.679 -2.665 3.791 568 HG13 VAL 72 3HG1 VAL 72 -3.415 -2.541 2.569 569 HG21 VAL 72 3HG2 VAL 72 -3.212 -5.088 2.625 570 HG22 VAL 72 1HG2 VAL 72 -4.459 -5.148 3.871 571 HG23 VAL 72 2HG2 VAL 72 -2.882 -5.883 4.165 572 H ALA 73 HN ALA 73 -0.147 -1.594 3.168 573 HA ALA 73 HA ALA 73 0.191 -0.397 5.840 574 HB1 ALA 73 1HB ALA 73 2.230 0.639 5.023 575 HB2 ALA 73 2HB ALA 73 1.967 -0.058 3.424 576 HB3 ALA 73 3HB ALA 73 2.302 -1.108 4.800 577 H VAL 74 HN VAL 74 -0.311 1.695 6.146 578 HA VAL 74 HA VAL 74 -1.497 3.130 3.866 579 HB VAL 74 HB VAL 74 -2.942 4.302 5.551 580 HG11 VAL 74 1HG1 VAL 74 -4.559 2.492 5.733 581 HG12 VAL 74 2HG1 VAL 74 -3.299 1.315 5.368 582 HG13 VAL 74 3HG1 VAL 74 -3.789 2.487 4.148 583 HG21 VAL 74 3HG2 VAL 74 -1.968 2.108 7.386 584 HG22 VAL 74 1HG2 VAL 74 -3.285 3.230 7.734 585 HG23 VAL 74 2HG2 VAL 74 -1.638 3.831 7.558 586 H ALA 75 HN ALA 75 -1.026 5.283 3.641 587 HA ALA 75 HA ALA 75 1.144 6.257 5.373 588 HB1 ALA 75 1HB ALA 75 1.866 5.843 3.079 589 HB2 ALA 75 2HB ALA 75 1.923 7.564 3.463 590 HB3 ALA 75 3HB ALA 75 0.605 6.923 2.482 591 H ASP 76 HN ASP 76 1.142 8.418 5.987 592 HA ASP 76 HA ASP 76 -1.246 9.664 6.620 593 HB2 ASP 76 2HB ASP 76 0.624 10.426 7.794 594 HB3 ASP 76 1HB ASP 76 1.578 10.640 6.329 595 H LEU 77 HN LEU 77 -2.355 11.475 5.731 596 HA LEU 77 HA LEU 77 -2.858 11.178 2.991 597 HG LEU 77 HG LEU 77 -4.602 11.280 5.570 598 HB2 LEU 77 2HB LEU 77 -3.633 13.413 4.859 599 HB3 LEU 77 1HB LEU 77 -4.291 13.186 3.250 600 HD11 LEU 77 1HD1 LEU 77 -6.572 13.113 4.209 601 HD12 LEU 77 2HD1 LEU 77 -5.925 13.294 5.840 602 HD13 LEU 77 3HD1 LEU 77 -6.970 11.926 5.451 603 HD21 LEU 77 3HD2 LEU 77 -6.102 10.034 4.108 604 HD22 LEU 77 1HD2 LEU 77 -4.476 10.101 3.430 605 HD23 LEU 77 2HD2 LEU 77 -5.745 11.139 2.781 606 H GLU 78 HN GLU 78 -0.805 13.460 4.717 607 HA GLU 78 HA GLU 78 -0.285 15.020 2.349 608 HB2 GLU 78 2HB GLU 78 -0.164 15.855 4.768 609 HB3 GLU 78 1HB GLU 78 1.376 15.013 4.864 610 HG2 GLU 78 2HG GLU 78 1.739 17.340 4.381 611 HG3 GLU 78 1HG GLU 78 2.207 16.365 2.988 612 H GLN 79 HN GLN 79 1.363 12.501 4.213 613 HA GLN 79 HA GLN 79 3.811 12.559 2.801 614 HB2 GLN 79 2HB GLN 79 2.579 10.181 4.202 615 HB3 GLN 79 1HB GLN 79 4.267 10.367 3.766 616 HG2 GLN 79 2HG GLN 79 2.735 11.560 6.002 617 HG3 GLN 79 1HG GLN 79 4.347 10.856 5.981 618 HE21 GLN 79 1HE2 GLN 79 2.465 13.684 5.732 619 HE22 GLN 79 2HE2 GLN 79 3.779 14.813 5.583 620 H SER 80 HN SER 80 0.792 10.924 2.196 621 HA SER 80 HA SER 80 1.728 8.920 0.490 622 HG SER 80 HG SER 80 -1.092 10.345 2.123 623 HB2 SER 80 2HB SER 80 -0.747 9.019 -0.321 624 HB3 SER 80 1HB SER 80 -0.361 8.488 1.318 625 H GLU 81 HN GLU 81 1.017 12.273 -0.184 626 HA GLU 81 HA GLU 81 0.867 12.031 -3.002 627 HB2 GLU 81 2HB GLU 81 0.199 14.078 -1.716 628 HB3 GLU 81 1HB GLU 81 1.907 14.402 -1.443 629 HG2 GLU 81 2HG GLU 81 2.207 14.436 -3.926 630 HG3 GLU 81 1HG GLU 81 0.455 14.345 -4.075 631 H ALA 82 HN ALA 82 3.529 12.570 -0.758 632 HA ALA 82 HA ALA 82 5.555 12.907 -2.695 633 HB1 ALA 82 1HB ALA 82 7.120 12.554 -0.859 634 HB2 ALA 82 2HB ALA 82 5.807 11.966 0.159 635 HB3 ALA 82 3HB ALA 82 5.820 13.644 -0.383 636 H ILE 83 HN ILE 83 4.216 10.066 -1.104 637 HA ILE 83 HA ILE 83 6.174 8.234 -2.047 638 HB ILE 83 HB ILE 83 3.307 7.709 -1.235 639 HG12 ILE 83 2HG1 ILE 83 5.902 7.479 0.310 640 HG13 ILE 83 1HG1 ILE 83 4.664 8.707 0.553 641 HG21 ILE 83 1HG2 ILE 83 4.173 5.899 -2.607 642 HG22 ILE 83 2HG2 ILE 83 4.041 5.380 -0.925 643 HG23 ILE 83 3HG2 ILE 83 5.618 5.798 -1.599 644 HD11 ILE 83 3HD1 ILE 83 4.532 6.996 2.256 645 HD12 ILE 83 1HD1 ILE 83 4.350 5.752 1.021 646 HD13 ILE 83 2HD1 ILE 83 3.090 6.966 1.242 647 H GLY 84 HN GLY 84 2.980 9.211 -3.262 648 HA2 GLY 84 2HA GLY 84 2.979 7.574 -5.561 649 HA3 GLY 84 1HA GLY 84 2.064 9.063 -5.366 650 H ASP 85 HN ASP 85 4.364 10.714 -4.895 651 HA ASP 85 HA ASP 85 5.128 11.314 -7.563 652 HB2 ASP 85 2HB ASP 85 4.959 13.104 -5.976 653 HB3 ASP 85 1HB ASP 85 6.104 12.325 -4.894 654 H ARG 86 HN ARG 86 6.876 9.958 -4.785 655 HA ARG 86 HA ARG 86 9.405 9.818 -5.835 656 HE ARG 86 HE ARG 86 11.425 9.298 -6.085 657 HB2 ARG 86 2HB ARG 86 8.711 9.307 -3.486 658 HB3 ARG 86 1HB ARG 86 8.157 7.736 -4.046 659 HG2 ARG 86 2HG ARG 86 10.299 7.418 -3.099 660 HG3 ARG 86 1HG ARG 86 10.489 7.297 -4.850 661 HD2 ARG 86 2HD ARG 86 11.075 9.757 -3.192 662 HD3 ARG 86 1HD ARG 86 12.275 8.625 -3.793 663 HH11 ARG 86 1HH1 ARG 86 11.517 11.444 -3.317 664 HH12 ARG 86 2HH1 ARG 86 11.441 12.889 -4.276 665 HH21 ARG 86 1HH2 ARG 86 11.341 11.208 -7.356 666 HH22 ARG 86 2HH2 ARG 86 11.335 12.760 -6.573 667 H PHE 87 HN PHE 87 6.834 7.379 -6.122 668 HA PHE 87 HA PHE 87 8.575 5.733 -7.773 669 HD1 PHE 87 1HD PHE 87 9.106 3.710 -6.630 670 HD2 PHE 87 2HD PHE 87 5.567 4.922 -4.610 671 HE1 PHE 87 1HE PHE 87 10.002 2.795 -4.530 672 HE2 PHE 87 2HE PHE 87 6.457 4.015 -2.503 673 HZ PHE 87 HZ PHE 87 8.676 2.949 -2.461 674 HB2 PHE 87 2HB PHE 87 5.728 5.284 -6.860 675 HB3 PHE 87 1HB PHE 87 6.692 4.124 -7.768 676 H ASN 88 HN ASN 88 6.749 8.368 -8.345 677 HA ASN 88 HA ASN 88 5.769 9.330 -10.163 678 HB2 ASN 88 2HB ASN 88 7.488 7.265 -11.538 679 HB3 ASN 88 1HB ASN 88 6.501 8.406 -12.440 680 HD21 ASN 88 1HD2 ASN 88 8.217 9.111 -9.449 681 HD22 ASN 88 2HD2 ASN 88 9.337 10.227 -10.145 682 H VAL 89 HN VAL 89 4.268 7.416 -8.788 683 HA VAL 89 HA VAL 89 3.145 5.390 -10.386 684 HB VAL 89 HB VAL 89 1.787 6.814 -8.090 685 HG11 VAL 89 1HG1 VAL 89 0.290 5.407 -9.396 686 HG12 VAL 89 2HG1 VAL 89 0.578 4.707 -7.804 687 HG13 VAL 89 3HG1 VAL 89 1.396 4.045 -9.218 688 HG21 VAL 89 3HG2 VAL 89 3.992 6.053 -7.396 689 HG22 VAL 89 1HG2 VAL 89 3.654 4.444 -8.029 690 HG23 VAL 89 2HG2 VAL 89 2.738 5.059 -6.655 691 H ARG 90 HN ARG 90 1.444 8.301 -9.270 692 HA ARG 90 HA ARG 90 0.792 9.382 -11.730 693 HE ARG 90 HE ARG 90 -1.462 9.363 -15.257 694 HB2 ARG 90 2HB ARG 90 -0.580 7.040 -11.537 695 HB3 ARG 90 1HB ARG 90 -1.733 8.145 -10.800 696 HG2 ARG 90 2HG ARG 90 -2.181 7.929 -13.165 697 HG3 ARG 90 1HG ARG 90 -1.635 9.569 -12.800 698 HD2 ARG 90 2HD ARG 90 0.666 8.862 -13.483 699 HD3 ARG 90 1HD ARG 90 -0.023 7.330 -14.016 700 HH11 ARG 90 1HH1 ARG 90 1.796 8.058 -15.256 701 HH12 ARG 90 2HH1 ARG 90 2.140 8.598 -16.875 702 HH21 ARG 90 1HH2 ARG 90 -0.992 10.077 -17.387 703 HH22 ARG 90 2HH2 ARG 90 0.563 9.715 -18.080 704 H ARG 91 HN ARG 91 -1.906 10.216 -11.075 705 HA ARG 91 HA ARG 91 -1.341 11.804 -8.660 706 HE ARG 91 HE ARG 91 -0.682 13.182 -12.857 707 HB2 ARG 91 2HB ARG 91 -2.392 13.726 -9.766 708 HB3 ARG 91 1HB ARG 91 -0.998 13.152 -10.667 709 HG2 ARG 91 2HG ARG 91 -2.624 11.879 -12.125 710 HG3 ARG 91 1HG ARG 91 -3.906 12.795 -11.330 711 HD2 ARG 91 2HD ARG 91 -3.337 13.911 -13.374 712 HD3 ARG 91 1HD ARG 91 -2.754 14.887 -12.025 713 HH11 ARG 91 1HH1 ARG 91 -2.464 15.981 -13.962 714 HH12 ARG 91 2HH1 ARG 91 -1.187 16.552 -14.987 715 HH21 ARG 91 1HH2 ARG 91 1.012 13.932 -14.210 716 HH22 ARG 91 2HH2 ARG 91 0.781 15.394 -15.129 717 H PHE 92 HN PHE 92 -2.942 9.351 -8.962 718 HA PHE 92 HA PHE 92 -5.413 10.424 -7.828 719 HD1 PHE 92 1HD PHE 92 -4.068 8.729 -11.470 720 HD2 PHE 92 2HD PHE 92 -6.627 6.559 -8.855 721 HE1 PHE 92 1HE PHE 92 -3.362 6.625 -12.531 722 HE2 PHE 92 2HE PHE 92 -5.922 4.452 -9.909 723 HZ PHE 92 HZ PHE 92 -4.285 4.483 -11.749 724 HB2 PHE 92 2HB PHE 92 -6.836 8.921 -9.065 725 HB3 PHE 92 1HB PHE 92 -5.875 9.838 -10.215 726 HA PRO 93 HA PRO 93 -4.848 7.419 -4.647 727 HB2 PRO 93 2HB PRO 93 -7.678 6.613 -4.879 728 HB3 PRO 93 1HB PRO 93 -6.815 7.309 -3.505 729 HG2 PRO 93 2HG PRO 93 -8.587 8.740 -4.917 730 HG3 PRO 93 1HG PRO 93 -7.124 9.477 -4.239 731 HD2 PRO 93 2HD PRO 93 -7.700 8.651 -7.054 732 HD3 PRO 93 1HD PRO 93 -6.830 10.077 -6.452 733 H ALA 94 HN ALA 94 -3.887 5.519 -4.853 734 HA ALA 94 HA ALA 94 -5.217 3.298 -6.164 735 HB1 ALA 94 1HB ALA 94 -4.037 4.375 -8.015 736 HB2 ALA 94 2HB ALA 94 -3.322 2.807 -7.637 737 HB3 ALA 94 3HB ALA 94 -2.527 4.290 -7.108 738 H THR 95 HN THR 95 -4.165 1.269 -5.749 739 HA THR 95 HA THR 95 -2.586 1.280 -3.282 740 HB THR 95 HB THR 95 -3.758 -1.129 -4.679 741 HG1 THR 95 1HG THR 95 -5.547 0.071 -4.288 742 HG21 THR 95 3HG2 THR 95 -2.102 -1.557 -2.917 743 HG22 THR 95 1HG2 THR 95 -3.709 -2.107 -2.437 744 HG23 THR 95 2HG2 THR 95 -3.060 -0.602 -1.785 745 H LEU 96 HN LEU 96 -0.480 0.541 -3.255 746 HA LEU 96 HA LEU 96 0.724 0.001 -5.860 747 HG LEU 96 HG LEU 96 3.120 2.359 -4.356 748 HB2 LEU 96 2HB LEU 96 1.957 0.459 -3.144 749 HB3 LEU 96 1HB LEU 96 2.883 0.042 -4.572 750 HD11 LEU 96 1HD1 LEU 96 0.891 1.893 -6.328 751 HD12 LEU 96 2HD1 LEU 96 2.619 1.705 -6.633 752 HD13 LEU 96 3HD1 LEU 96 1.951 3.302 -6.290 753 HD21 LEU 96 3HD2 LEU 96 1.253 3.905 -4.021 754 HD22 LEU 96 1HD2 LEU 96 1.399 2.750 -2.697 755 HD23 LEU 96 2HD2 LEU 96 0.146 2.538 -3.920 756 H VAL 97 HN VAL 97 1.177 -1.943 -6.554 757 HA VAL 97 HA VAL 97 0.969 -4.195 -4.699 758 HB VAL 97 HB VAL 97 1.248 -4.256 -7.710 759 HG11 VAL 97 1HG1 VAL 97 0.448 -6.554 -7.506 760 HG12 VAL 97 2HG1 VAL 97 0.429 -6.393 -5.748 761 HG13 VAL 97 3HG1 VAL 97 1.958 -6.312 -6.627 762 HG21 VAL 97 3HG2 VAL 97 -0.811 -3.119 -7.057 763 HG22 VAL 97 1HG2 VAL 97 -1.244 -4.482 -6.025 764 HG23 VAL 97 2HG2 VAL 97 -1.155 -4.693 -7.775 765 H PHE 98 HN PHE 98 2.866 -4.352 -3.627 766 HA PHE 98 HA PHE 98 5.331 -4.422 -5.215 767 HD1 PHE 98 2HD PHE 98 7.777 -3.192 -4.349 768 HD2 PHE 98 1HD PHE 98 4.161 -1.547 -2.833 769 HE1 PHE 98 2HE PHE 98 8.522 -0.954 -5.024 770 HE2 PHE 98 1HE PHE 98 4.897 0.703 -3.502 771 HZ PHE 98 HZ PHE 98 7.086 1.009 -4.600 772 HB2 PHE 98 2HB PHE 98 4.758 -3.792 -2.347 773 HB3 PHE 98 1HB PHE 98 6.341 -4.430 -2.779 774 H THR 99 HN THR 99 6.584 -6.171 -5.320 775 HA THR 99 HA THR 99 6.029 -8.506 -3.691 776 HB THR 99 HB THR 99 6.056 -9.731 -6.128 777 HG1 THR 99 1HG THR 99 4.821 -7.208 -6.380 778 HG21 THR 99 3HG2 THR 99 3.573 -8.804 -4.680 779 HG22 THR 99 1HG2 THR 99 4.543 -10.206 -4.231 780 HG23 THR 99 2HG2 THR 99 3.697 -10.177 -5.778 781 H ASP 100 HN ASP 100 7.781 -9.751 -3.450 782 HA ASP 100 HA ASP 100 9.960 -10.299 -3.351 783 HB2 ASP 100 2HB ASP 100 10.923 -11.092 -5.252 784 HB3 ASP 100 1HB ASP 100 9.264 -10.986 -5.785 785 H GLY 101 HN GLY 101 9.148 -7.415 -3.183 786 HA2 GLY 101 2HA GLY 101 10.465 -5.623 -2.421 787 HA3 GLY 101 1HA GLY 101 11.861 -6.337 -3.219 788 H LYS 102 HN LYS 102 9.751 -6.647 -5.577 789 HA LYS 102 HA LYS 102 10.373 -3.949 -6.613 790 HB2 LYS 102 2HB LYS 102 10.168 -6.618 -7.941 791 HB3 LYS 102 1HB LYS 102 9.907 -5.156 -8.880 792 HG2 LYS 102 2HG LYS 102 12.086 -4.920 -9.113 793 HG3 LYS 102 1HG LYS 102 12.258 -4.765 -7.366 794 HD2 LYS 102 2HD LYS 102 13.680 -6.528 -7.968 795 HD3 LYS 102 1HD LYS 102 12.252 -7.308 -7.300 796 HE2 LYS 102 2HE LYS 102 12.719 -6.891 -10.248 797 HE3 LYS 102 1HE LYS 102 13.165 -8.358 -9.383 798 HZ1 LYS 102 3HZ LYS 102 11.087 -8.792 -10.334 799 HZ2 LYS 102 1HZ LYS 102 10.454 -7.283 -9.885 800 HZ3 LYS 102 2HZ LYS 102 10.744 -8.470 -8.704 801 H LEU 103 HN LEU 103 8.888 -2.790 -7.811 802 HA LEU 103 HA LEU 103 6.134 -3.181 -7.006 803 HG LEU 103 HG LEU 103 5.031 -1.086 -9.122 804 HB2 LEU 103 2HB LEU 103 7.133 -0.949 -6.958 805 HB3 LEU 103 1HB LEU 103 7.468 -1.042 -8.675 806 HD11 LEU 103 1HD1 LEU 103 4.291 -2.054 -7.008 807 HD12 LEU 103 2HD1 LEU 103 3.474 -0.525 -7.329 808 HD13 LEU 103 3HD1 LEU 103 4.790 -0.592 -6.157 809 HD21 LEU 103 3HD2 LEU 103 4.619 1.268 -8.556 810 HD22 LEU 103 1HD2 LEU 103 6.243 1.017 -9.200 811 HD23 LEU 103 2HD2 LEU 103 6.007 1.238 -7.466 812 H ARG 104 HN ARG 104 4.493 -3.887 -8.272 813 HA ARG 104 HA ARG 104 5.173 -4.673 -11.014 814 HE ARG 104 HE ARG 104 6.095 -9.124 -10.927 815 HB2 ARG 104 2HB ARG 104 2.891 -5.492 -9.219 816 HB3 ARG 104 1HB ARG 104 3.029 -5.977 -10.902 817 HG2 ARG 104 2HG ARG 104 4.849 -6.698 -8.625 818 HG3 ARG 104 1HG ARG 104 3.822 -7.769 -9.577 819 HD2 ARG 104 2HD ARG 104 5.192 -7.136 -11.583 820 HD3 ARG 104 1HD ARG 104 6.290 -6.301 -10.485 821 HH11 ARG 104 1HH1 ARG 104 7.021 -6.690 -8.582 822 HH12 ARG 104 2HH1 ARG 104 8.122 -7.739 -7.743 823 HH21 ARG 104 1HH2 ARG 104 7.595 -10.479 -9.836 824 HH22 ARG 104 2HH2 ARG 104 8.473 -9.852 -8.468 825 H GLY 105 HN GLY 105 2.834 -2.779 -9.164 826 HA2 GLY 105 2HA GLY 105 2.464 -0.781 -10.990 827 HA3 GLY 105 1HA GLY 105 1.312 -2.022 -11.471 828 H ALA 106 HN ALA 106 -0.206 -0.231 -10.982 829 HA ALA 106 HA ALA 106 -0.768 -0.027 -8.098 830 HB1 ALA 106 1HB ALA 106 -1.915 2.063 -8.591 831 HB2 ALA 106 2HB ALA 106 -1.570 1.862 -10.309 832 HB3 ALA 106 3HB ALA 106 -0.249 2.115 -9.170 833 H LEU 107 HN LEU 107 -3.004 -0.038 -7.449 834 HA LEU 107 HA LEU 107 -4.867 -1.249 -9.375 835 HG LEU 107 HG LEU 107 -5.464 -4.381 -7.527 836 HB2 LEU 107 2HB LEU 107 -3.644 -2.890 -7.758 837 HB3 LEU 107 1HB LEU 107 -4.707 -2.228 -6.539 838 HD11 LEU 107 1HD1 LEU 107 -7.803 -3.715 -7.817 839 HD12 LEU 107 2HD1 LEU 107 -7.299 -2.026 -7.907 840 HD13 LEU 107 3HD1 LEU 107 -7.057 -2.943 -6.420 841 HD21 LEU 107 3HD2 LEU 107 -6.472 -4.351 -9.759 842 HD22 LEU 107 1HD2 LEU 107 -4.742 -4.015 -9.818 843 HD23 LEU 107 2HD2 LEU 107 -5.902 -2.698 -9.990 844 H SER 108 HN SER 108 -6.826 -0.295 -9.327 845 HA SER 108 HA SER 108 -7.263 1.731 -7.250 846 HG SER 108 HG SER 108 -6.661 3.364 -9.464 847 HB2 SER 108 2HB SER 108 -8.672 1.473 -9.913 848 HB3 SER 108 1HB SER 108 -8.658 2.872 -8.837 849 H GLY 109 HN GLY 109 -9.156 1.822 -6.074 850 HA2 GLY 109 2HA GLY 109 -10.657 -0.640 -5.868 851 HA3 GLY 109 1HA GLY 109 -10.847 0.787 -4.862 852 H ILE 110 HN ILE 110 -11.853 -0.849 -7.732 853 HA ILE 110 HA ILE 110 -13.555 1.354 -8.577 854 HB ILE 110 HB ILE 110 -14.144 -0.115 -10.485 855 HG12 ILE 110 2HG1 ILE 110 -12.114 -1.992 -9.245 856 HG13 ILE 110 1HG1 ILE 110 -13.851 -2.276 -9.327 857 HG21 ILE 110 1HG2 ILE 110 -12.319 1.449 -10.707 858 HG22 ILE 110 2HG2 ILE 110 -11.917 -0.045 -11.555 859 HG23 ILE 110 3HG2 ILE 110 -11.200 0.296 -9.979 860 HD11 ILE 110 3HD1 ILE 110 -11.977 -2.055 -11.668 861 HD12 ILE 110 1HD1 ILE 110 -13.719 -2.307 -11.768 862 HD13 ILE 110 2HD1 ILE 110 -12.694 -3.535 -11.028 863 H HIS 111 HN HIS 111 -15.835 0.825 -9.222 864 HA HIS 111 HA HIS 111 -17.139 -0.466 -6.978 865 HD1 HIS 111 1HD HIS 111 -20.287 2.503 -7.307 866 HD2 HIS 111 2HD HIS 111 -16.243 2.015 -6.473 867 HE1 HIS 111 1HE HIS 111 -19.754 4.195 -5.532 868 HE2 HIS 111 2HE HIS 111 -17.355 3.745 -4.897 869 HB2 HIS 111 2HB HIS 111 -18.120 1.237 -9.246 870 HB3 HIS 111 1HB HIS 111 -19.257 0.321 -8.262 871 HA PRO 112 HA PRO 112 -18.899 -3.292 -10.484 872 HB2 PRO 112 2HB PRO 112 -17.512 -3.373 -12.830 873 HB3 PRO 112 1HB PRO 112 -18.907 -2.324 -12.560 874 HG2 PRO 112 2HG PRO 112 -15.991 -1.671 -12.426 875 HG3 PRO 112 1HG PRO 112 -17.317 -0.734 -13.140 876 HD2 PRO 112 2HD PRO 112 -16.287 -0.149 -10.718 877 HD3 PRO 112 1HD PRO 112 -18.004 0.090 -11.098 878 H TRP 113 HN TRP 113 -18.109 -4.866 -9.113 879 HA TRP 113 HA TRP 113 -15.358 -5.674 -9.161 880 HD1 TRP 113 1HD TRP 113 -15.994 -9.277 -8.717 881 HE1 TRP 113 1HE TRP 113 -14.229 -10.432 -7.220 882 HE3 TRP 113 3HE TRP 113 -15.265 -5.548 -5.326 883 HZ2 TRP 113 2HZ TRP 113 -12.731 -9.819 -4.901 884 HZ3 TRP 113 3HZ TRP 113 -13.654 -5.893 -3.494 885 HH2 TRP 113 2HH TRP 113 -12.409 -7.989 -3.291 886 HB2 TRP 113 2HB TRP 113 -16.792 -5.810 -7.120 887 HB3 TRP 113 1HB TRP 113 -17.714 -7.089 -7.906 888 H ALA 114 HN ALA 114 -14.572 -6.732 -10.781 889 HA ALA 114 HA ALA 114 -15.279 -9.304 -11.552 890 HB1 ALA 114 1HB ALA 114 -16.222 -7.269 -13.578 891 HB2 ALA 114 2HB ALA 114 -17.283 -8.232 -12.551 892 HB3 ALA 114 3HB ALA 114 -16.261 -9.023 -13.751 893 H GLU 115 HN GLU 115 -14.349 -6.366 -13.279 894 HA GLU 115 HA GLU 115 -12.336 -7.652 -14.807 895 HB2 GLU 115 2HB GLU 115 -11.732 -5.384 -15.549 896 HB3 GLU 115 1HB GLU 115 -13.465 -5.672 -15.642 897 HG2 GLU 115 2HG GLU 115 -13.879 -4.351 -13.719 898 HG3 GLU 115 1HG GLU 115 -12.161 -4.260 -13.332 899 H LEU 116 HN LEU 116 -12.343 -6.026 -11.748 900 HA LEU 116 HA LEU 116 -9.658 -5.360 -11.454 901 HG LEU 116 HG LEU 116 -9.234 -4.339 -9.262 902 HB2 LEU 116 2HB LEU 116 -11.658 -4.849 -9.932 903 HB3 LEU 116 1HB LEU 116 -11.401 -6.435 -9.239 904 HD11 LEU 116 1HD1 LEU 116 -9.913 -3.777 -6.977 905 HD12 LEU 116 2HD1 LEU 116 -11.317 -4.830 -7.138 906 HD13 LEU 116 3HD1 LEU 116 -11.177 -3.389 -8.143 907 HD21 LEU 116 3HD2 LEU 116 -8.366 -5.632 -7.376 908 HD22 LEU 116 1HD2 LEU 116 -8.521 -6.638 -8.818 909 HD23 LEU 116 2HD2 LEU 116 -9.714 -6.760 -7.523 910 H LEU 117 HN LEU 117 -11.325 -8.419 -10.893 911 HA LEU 117 HA LEU 117 -9.220 -9.833 -9.721 912 HG LEU 117 HG LEU 117 -12.341 -9.760 -9.478 913 HB2 LEU 117 2HB LEU 117 -11.447 -10.850 -11.489 914 HB3 LEU 117 1HB LEU 117 -10.418 -11.857 -10.490 915 HD11 LEU 117 1HD1 LEU 117 -13.603 -11.665 -8.608 916 HD12 LEU 117 2HD1 LEU 117 -12.466 -12.771 -9.377 917 HD13 LEU 117 3HD1 LEU 117 -13.479 -11.719 -10.366 918 HD21 LEU 117 3HD2 LEU 117 -11.806 -10.642 -7.260 919 HD22 LEU 117 1HD2 LEU 117 -10.377 -9.967 -8.045 920 HD23 LEU 117 2HD2 LEU 117 -10.602 -11.715 -7.975 921 H THR 118 HN THR 118 -10.280 -9.829 -13.125 922 HA THR 118 HA THR 118 -8.151 -11.405 -14.065 923 HB THR 118 HB THR 118 -9.773 -9.396 -15.640 924 HG1 THR 118 1HG THR 118 -11.268 -11.027 -15.873 925 HG21 THR 118 3HG2 THR 118 -7.819 -10.250 -16.849 926 HG22 THR 118 1HG2 THR 118 -9.314 -10.882 -17.539 927 HG23 THR 118 2HG2 THR 118 -8.320 -11.905 -16.502 928 H LEU 119 HN LEU 119 -8.535 -7.896 -13.780 929 HA LEU 119 HA LEU 119 -6.275 -7.191 -15.326 930 HG LEU 119 HG LEU 119 -7.148 -3.668 -14.716 931 HB2 LEU 119 2HB LEU 119 -8.258 -5.744 -14.520 932 HB3 LEU 119 1HB LEU 119 -7.346 -5.558 -13.041 933 HD11 LEU 119 1HD1 LEU 119 -5.557 -3.876 -12.917 934 HD12 LEU 119 2HD1 LEU 119 -4.727 -3.384 -14.395 935 HD13 LEU 119 3HD1 LEU 119 -4.624 -5.055 -13.838 936 HD21 LEU 119 3HD2 LEU 119 -7.022 -4.976 -16.748 937 HD22 LEU 119 1HD2 LEU 119 -5.522 -5.727 -16.202 938 HD23 LEU 119 2HD2 LEU 119 -5.563 -4.002 -16.566 939 H MET 120 HN MET 120 -6.734 -7.446 -11.794 940 HA MET 120 HA MET 120 -4.019 -6.815 -11.238 941 HB2 MET 120 2HB MET 120 -5.872 -6.527 -9.601 942 HB3 MET 120 1HB MET 120 -5.945 -8.278 -9.431 943 HG2 MET 120 2HG MET 120 -3.735 -8.352 -8.526 944 HG3 MET 120 1HG MET 120 -3.482 -6.643 -8.875 945 HE1 MET 120 3HE MET 120 -2.669 -6.181 -6.413 946 HE2 MET 120 1HE MET 120 -2.864 -7.891 -6.030 947 HE3 MET 120 2HE MET 120 -3.566 -6.666 -4.974 948 H ARG 121 HN ARG 121 -5.736 -9.873 -11.689 949 HA ARG 121 HA ARG 121 -3.675 -11.576 -10.848 950 HE ARG 121 HE ARG 121 -6.920 -14.696 -9.160 951 HB2 ARG 121 2HB ARG 121 -6.080 -11.840 -12.587 952 HB3 ARG 121 1HB ARG 121 -4.901 -13.133 -12.574 953 HG2 ARG 121 2HG ARG 121 -5.182 -13.400 -10.173 954 HG3 ARG 121 1HG ARG 121 -6.327 -12.055 -10.155 955 HD2 ARG 121 2HD ARG 121 -7.878 -13.272 -11.511 956 HD3 ARG 121 1HD ARG 121 -6.705 -14.561 -11.778 957 HH11 ARG 121 1HH1 ARG 121 -9.476 -14.227 -11.520 958 HH12 ARG 121 2HH1 ARG 121 -10.666 -15.055 -10.557 959 HH21 ARG 121 1HH2 ARG 121 -8.480 -15.788 -7.917 960 HH22 ARG 121 2HH2 ARG 121 -10.108 -15.938 -8.525 961 H SER 122 HN SER 122 -4.348 -10.027 -13.938 962 HA SER 122 HA SER 122 -2.380 -11.399 -15.434 963 HG SER 122 HG SER 122 -2.093 -10.531 -17.468 964 HB2 SER 122 2HB SER 122 -4.262 -10.035 -16.397 965 HB3 SER 122 1HB SER 122 -3.388 -8.584 -15.910 966 H ILE 123 HN ILE 123 -2.258 -8.682 -13.264 967 HA ILE 123 HA ILE 123 0.385 -7.843 -14.023 968 HB ILE 123 HB ILE 123 -1.247 -7.124 -11.581 969 HG12 ILE 123 2HG1 ILE 123 -2.376 -6.455 -13.633 970 HG13 ILE 123 1HG1 ILE 123 -1.743 -5.036 -12.808 971 HG21 ILE 123 1HG2 ILE 123 0.253 -5.196 -11.392 972 HG22 ILE 123 2HG2 ILE 123 1.213 -5.817 -12.732 973 HG23 ILE 123 3HG2 ILE 123 1.119 -6.721 -11.222 974 HD11 ILE 123 3HD1 ILE 123 -1.402 -4.867 -15.196 975 HD12 ILE 123 1HD1 ILE 123 -0.523 -6.397 -15.200 976 HD13 ILE 123 2HD1 ILE 123 0.151 -4.998 -14.363 977 H VAL 124 HN VAL 124 -1.035 -9.595 -11.260 978 HA VAL 124 HA VAL 124 1.573 -10.017 -10.080 979 HB VAL 124 HB VAL 124 0.428 -11.207 -8.304 980 HG11 VAL 124 1HG1 VAL 124 -1.010 -9.389 -7.488 981 HG12 VAL 124 2HG1 VAL 124 -0.991 -8.669 -9.096 982 HG13 VAL 124 3HG1 VAL 124 0.504 -8.791 -8.168 983 HG21 VAL 124 3HG2 VAL 124 -2.021 -11.450 -8.306 984 HG22 VAL 124 1HG2 VAL 124 -1.252 -12.397 -9.579 985 HG23 VAL 124 2HG2 VAL 124 -2.064 -10.880 -9.974 986 H ASP 125 HN ASP 125 0.238 -11.358 -12.665 987 HA ASP 125 HA ASP 125 0.353 -14.129 -12.297 988 HB2 ASP 125 2HB ASP 125 -0.640 -13.021 -14.277 989 HB3 ASP 125 1HB ASP 125 0.971 -12.561 -14.814 990 H THR 126 HN THR 126 2.825 -11.757 -12.840 991 HA THR 126 HA THR 126 5.038 -11.787 -12.406 992 HB THR 126 HB THR 126 4.584 -14.611 -11.419 993 HG1 THR 126 1HG THR 126 3.394 -13.121 -10.202 994 HG21 THR 126 3HG2 THR 126 6.871 -12.697 -10.927 995 HG22 THR 126 1HG2 THR 126 6.942 -14.144 -11.933 996 HG23 THR 126 2HG2 THR 126 6.678 -14.291 -10.194 997 HA PRO 127 HA PRO 127 6.220 -13.687 -16.339 998 HB2 PRO 127 2HB PRO 127 8.028 -11.430 -16.558 999 HB3 PRO 127 1HB PRO 127 6.639 -11.829 -17.569 1000 HG2 PRO 127 2HG PRO 127 6.711 -9.680 -15.888 1001 HG3 PRO 127 1HG PRO 127 5.216 -10.505 -16.365 1002 HD2 PRO 127 2HD PRO 127 6.794 -10.741 -13.835 1003 HD3 PRO 127 1HD PRO 127 5.034 -10.717 -14.073 1004 H ALA 128 HN ALA 128 7.670 -15.262 -16.254 1005 HA ALA 128 HA ALA 128 9.568 -16.442 -15.909 1006 HB1 ALA 128 1HB ALA 128 10.694 -14.529 -16.962 1007 HB2 ALA 128 2HB ALA 128 11.698 -15.293 -15.730 1008 HB3 ALA 128 3HB ALA 128 10.874 -13.774 -15.377 1009 H ALA 129 HN ALA 129 11.573 -16.432 -14.112 1010 HA ALA 129 HA ALA 129 10.132 -16.425 -11.541 1011 HB1 ALA 129 1HB ALA 129 12.388 -18.216 -12.440 1012 HB2 ALA 129 2HB ALA 129 10.689 -18.670 -12.299 1013 HB3 ALA 129 3HB ALA 129 11.614 -18.256 -10.856 1014 H GLN 130 HN GLN 130 12.708 -15.077 -13.276 1015 HA GLN 130 HA GLN 130 14.193 -13.429 -12.757 1016 HB2 GLN 130 2HB GLN 130 12.521 -12.542 -11.176 1017 HB3 GLN 130 1HB GLN 130 13.120 -13.630 -9.932 1018 HG2 GLN 130 2HG GLN 130 15.349 -12.496 -10.160 1019 HG3 GLN 130 1HG GLN 130 14.556 -11.310 -11.191 1020 HE21 GLN 130 1HE2 GLN 130 12.073 -11.440 -9.603 1021 HE22 GLN 130 2HE2 GLN 130 12.402 -10.548 -8.151 1022 H GLU 131 HN GLU 131 14.124 -16.444 -11.262 1023 HA GLU 131 HA GLU 131 15.636 -17.853 -10.373 1024 HB2 GLU 131 2HB GLU 131 17.667 -15.803 -11.259 1025 HB3 GLU 131 1HB GLU 131 18.082 -17.343 -10.519 1026 HG2 GLU 131 2HG GLU 131 16.731 -18.419 -12.386 1027 HG3 GLU 131 1HG GLU 131 16.782 -16.841 -13.169 1028 H THR 132 HN THR 132 17.115 -18.072 -8.455 1029 HA THR 132 HA THR 132 17.094 -17.928 -6.179 1030 HB THR 132 HB THR 132 16.202 -15.043 -6.500 1031 HG1 THR 132 1HG THR 132 18.272 -15.547 -7.482 1032 HG21 THR 132 3HG2 THR 132 17.091 -14.762 -4.232 1033 HG22 THR 132 1HG2 THR 132 17.481 -16.481 -4.168 1034 HG23 THR 132 2HG2 THR 132 15.798 -15.962 -4.264 1035 H VAL 133 HN VAL 133 15.519 -19.037 -5.200 1036 HA VAL 133 HA VAL 133 12.935 -18.970 -6.478 1037 HB VAL 133 HB VAL 133 12.449 -20.975 -5.089 1038 HG11 VAL 133 1HG1 VAL 133 14.027 -22.441 -6.250 1039 HG12 VAL 133 2HG1 VAL 133 15.025 -21.044 -6.655 1040 HG13 VAL 133 3HG1 VAL 133 13.397 -21.188 -7.317 1041 HG21 VAL 133 3HG2 VAL 133 13.811 -20.478 -3.150 1042 HG22 VAL 133 1HG2 VAL 133 15.277 -20.560 -4.125 1043 HG23 VAL 133 2HG2 VAL 133 14.315 -22.013 -3.856 1044 H GLN 134 HN GLN 134 14.207 -17.640 -3.595 1045 HA GLN 134 HA GLN 134 13.310 -16.585 -1.805 1046 HB2 GLN 134 2HB GLN 134 11.055 -16.484 -3.719 1047 HB3 GLN 134 1HB GLN 134 10.644 -16.237 -2.028 1048 HG2 GLN 134 2HG GLN 134 11.010 -14.102 -2.930 1049 HG3 GLN 134 1HG GLN 134 12.438 -14.473 -1.970 1050 HE21 GLN 134 1HE2 GLN 134 13.786 -13.108 -3.031 1051 HE22 GLN 134 2HE2 GLN 134 14.294 -13.346 -4.671 1052 H LEU 135 HN LEU 135 12.324 -19.638 -2.757 1053 HA LEU 135 HA LEU 135 10.776 -20.277 -0.417 1054 HG LEU 135 HG LEU 135 9.279 -22.226 -1.183 1055 HB2 LEU 135 2HB LEU 135 10.890 -21.428 -2.814 1056 HB3 LEU 135 1HB LEU 135 12.164 -22.357 -2.056 1057 HD11 LEU 135 1HD1 LEU 135 9.283 -24.605 -1.793 1058 HD12 LEU 135 2HD1 LEU 135 10.934 -24.437 -2.387 1059 HD13 LEU 135 3HD1 LEU 135 9.621 -23.559 -3.172 1060 HD21 LEU 135 3HD2 LEU 135 10.757 -22.404 0.756 1061 HD22 LEU 135 1HD2 LEU 135 11.564 -23.786 0.016 1062 HD23 LEU 135 2HD2 LEU 135 9.869 -23.903 0.484 1063 H GLU 136 HN GLU 136 12.245 -19.419 1.133 1064 HA GLU 136 HA GLU 136 14.930 -20.504 1.238 1065 HB2 GLU 136 2HB GLU 136 14.468 -18.076 1.484 1066 HB3 GLU 136 1HB GLU 136 13.605 -18.417 2.975 1067 HG2 GLU 136 2HG GLU 136 15.643 -19.269 3.979 1068 HG3 GLU 136 1HG GLU 136 16.517 -18.971 2.476 1069 H HIS 137 HN HIS 137 14.806 -22.578 2.000 1070 HA HIS 137 HA HIS 137 15.116 -24.099 3.656 1071 HD1 HIS 137 1HD HIS 137 17.027 -24.602 5.927 1072 HD2 HIS 137 2HD HIS 137 13.656 -22.977 7.747 1073 HE1 HIS 137 1HE HIS 137 16.793 -25.805 8.124 1074 HE2 HIS 137 2HE HIS 137 14.612 -24.979 9.076 1075 HB2 HIS 137 2HB HIS 137 16.162 -22.304 4.916 1076 HB3 HIS 137 1HB HIS 137 14.597 -21.740 5.479 1077 H HIS 138 HN HIS 138 12.196 -22.676 3.023 1078 HA HIS 138 HA HIS 138 10.011 -23.202 3.391 1079 HD1 HIS 138 1HD HIS 138 7.954 -26.063 3.216 1080 HD2 HIS 138 2HD HIS 138 11.841 -25.965 1.758 1081 HE1 HIS 138 1HE HIS 138 7.835 -27.069 0.913 1082 HE2 HIS 138 2HE HIS 138 10.237 -27.199 0.150 1083 HB2 HIS 138 2HB HIS 138 11.285 -25.630 4.592 1084 HB3 HIS 138 1HB HIS 138 9.589 -25.314 4.928 1085 H HIS 139 HN HIS 139 8.379 -22.982 5.071 1086 HA HIS 139 HA HIS 139 9.258 -21.190 7.086 1087 HD1 HIS 139 1HD HIS 139 5.283 -22.323 8.899 1088 HD2 HIS 139 2HD HIS 139 6.372 -24.035 5.265 1089 HE1 HIS 139 1HE HIS 139 3.822 -24.352 8.638 1090 HE2 HIS 139 2HE HIS 139 4.598 -25.458 6.509 1091 HB2 HIS 139 2HB HIS 139 6.972 -20.971 7.728 1092 HB3 HIS 139 1HB HIS 139 6.980 -21.158 5.984 1093 H HIS 140 HN HIS 140 10.119 -21.631 8.988 1094 HA HIS 140 HA HIS 140 9.813 -24.344 10.062 1095 HD1 HIS 140 1HD HIS 140 11.776 -20.484 9.928 1096 HD2 HIS 140 2HD HIS 140 12.368 -22.618 13.448 1097 HE1 HIS 140 1HE HIS 140 12.511 -18.793 11.636 1098 HE2 HIS 140 2HE HIS 140 13.030 -20.134 13.704 1099 HB2 HIS 140 2HB HIS 140 11.820 -24.064 11.232 1100 HB3 HIS 140 1HB HIS 140 12.119 -23.219 9.723 1101 H HIS 141 HN HIS 141 8.771 -24.747 11.936 1102 HA HIS 141 HA HIS 141 8.091 -22.564 13.711 1103 HD1 HIS 141 1HD HIS 141 5.864 -20.542 13.393 1104 HD2 HIS 141 2HD HIS 141 4.328 -24.131 14.836 1105 HE1 HIS 141 1HE HIS 141 4.240 -19.909 15.211 1106 HE2 HIS 141 2HE HIS 141 3.216 -22.087 15.966 1107 HB2 HIS 141 2HB HIS 141 6.322 -22.627 11.882 1108 HB3 HIS 141 1HB HIS 141 5.850 -24.199 12.516 1109 H HIS 142 HN HIS 142 7.761 -23.205 15.759 1110 HA HIS 142 HA HIS 142 7.629 -26.102 16.278 1111 HD1 HIS 142 1HD HIS 142 8.544 -24.650 20.197 1112 HD2 HIS 142 2HD HIS 142 9.780 -27.879 17.888 1113 HE1 HIS 142 1HE HIS 142 8.807 -26.569 21.799 1114 HE2 HIS 142 2HE HIS 142 9.757 -28.446 20.414 1115 HB2 HIS 142 2HB HIS 142 9.874 -25.245 16.804 1116 HB3 HIS 142 1HB HIS 142 9.170 -24.004 17.833 Start of MODEL 9 1 HA MET 1 HA MET 1 -22.264 7.680 4.737 2 H1 MET 1 1HT MET 1 -19.938 7.904 4.308 3 H2 MET 1 2HT MET 1 -20.334 6.260 4.431 4 H3 MET 1 3HT MET 1 -19.547 7.039 5.712 5 HB2 MET 1 2HB MET 1 -22.294 5.513 5.788 6 HB3 MET 1 1HB MET 1 -21.324 6.098 7.133 7 HG2 MET 1 2HG MET 1 -23.173 7.608 7.760 8 HG3 MET 1 1HG MET 1 -24.143 6.904 6.469 9 HE1 MET 1 3HE MET 1 -24.951 7.099 9.581 10 HE2 MET 1 1HE MET 1 -25.709 5.526 9.820 11 HE3 MET 1 2HE MET 1 -26.026 6.442 8.347 12 H ALA 2 HN ALA 2 -19.899 8.051 7.377 13 HA ALA 2 HA ALA 2 -21.339 10.187 8.594 14 HB1 ALA 2 1HB ALA 2 -18.490 9.299 9.021 15 HB2 ALA 2 2HB ALA 2 -19.905 8.700 9.889 16 HB3 ALA 2 3HB ALA 2 -19.408 10.383 10.068 17 H ASN 3 HN ASN 3 -21.623 11.930 7.303 18 HA ASN 3 HA ASN 3 -19.380 13.155 5.940 19 HB2 ASN 3 2HB ASN 3 -21.001 14.882 5.266 20 HB3 ASN 3 1HB ASN 3 -21.601 13.267 4.906 21 HD21 ASN 3 1HD2 ASN 3 -22.025 16.120 6.845 22 HD22 ASN 3 2HD2 ASN 3 -23.572 15.690 7.492 23 H ASP 4 HN ASP 4 -20.833 13.202 8.993 24 HA ASP 4 HA ASP 4 -20.316 15.768 9.944 25 HB2 ASP 4 2HB ASP 4 -21.610 14.145 11.206 26 HB3 ASP 4 1HB ASP 4 -20.202 13.103 11.369 27 H THR 5 HN THR 5 -18.202 13.000 9.568 28 HA THR 5 HA THR 5 -15.954 12.733 9.631 29 HB THR 5 HB THR 5 -15.774 15.721 9.226 30 HG1 THR 5 1HG THR 5 -17.212 14.858 7.686 31 HG21 THR 5 3HG2 THR 5 -13.996 13.446 8.326 32 HG22 THR 5 1HG2 THR 5 -13.647 14.558 9.650 33 HG23 THR 5 2HG2 THR 5 -13.737 15.158 7.994 34 HA PRO 6 HA PRO 6 -15.306 14.201 13.909 35 HB2 PRO 6 2HB PRO 6 -15.612 11.774 15.127 36 HB3 PRO 6 1HB PRO 6 -16.947 12.880 14.805 37 HG2 PRO 6 2HG PRO 6 -16.390 10.307 13.597 38 HG3 PRO 6 1HG PRO 6 -17.825 11.327 13.418 39 HD2 PRO 6 2HD PRO 6 -15.519 11.029 11.631 40 HD3 PRO 6 1HD PRO 6 -17.113 11.737 11.302 41 H PHE 7 HN PHE 7 -13.124 14.589 13.474 42 HA PHE 7 HA PHE 7 -10.875 14.288 13.580 43 HD1 PHE 7 1HD PHE 7 -9.092 14.521 15.091 44 HD2 PHE 7 2HD PHE 7 -9.781 10.333 15.424 45 HE1 PHE 7 1HE PHE 7 -6.694 14.160 15.502 46 HE2 PHE 7 2HE PHE 7 -7.383 9.967 15.833 47 HZ PHE 7 HZ PHE 7 -5.836 11.883 15.876 48 HB2 PHE 7 2HB PHE 7 -11.446 13.274 15.793 49 HB3 PHE 7 1HB PHE 7 -11.553 11.702 15.017 50 H SER 8 HN SER 8 -9.116 12.364 13.075 51 HA SER 8 HA SER 8 -9.734 11.474 10.421 52 HG SER 8 HG SER 8 -8.055 13.055 10.583 53 HB2 SER 8 2HB SER 8 -7.318 10.860 12.143 54 HB3 SER 8 1HB SER 8 -7.447 10.625 10.398 55 H ALA 9 HN ALA 9 -11.631 10.267 11.254 56 HA ALA 9 HA ALA 9 -11.434 8.002 12.894 57 HB1 ALA 9 1HB ALA 9 -13.542 9.159 12.383 58 HB2 ALA 9 2HB ALA 9 -13.641 7.426 12.069 59 HB3 ALA 9 3HB ALA 9 -13.460 8.555 10.727 60 H LEU 10 HN LEU 10 -11.144 8.385 9.396 61 HA LEU 10 HA LEU 10 -11.114 5.662 8.710 62 HG LEU 10 HG LEU 10 -12.171 6.287 6.579 63 HB2 LEU 10 2HB LEU 10 -9.910 8.096 7.424 64 HB3 LEU 10 1HB LEU 10 -9.667 6.499 6.749 65 HD11 LEU 10 1HD1 LEU 10 -12.084 9.241 7.180 66 HD12 LEU 10 2HD1 LEU 10 -12.800 7.997 8.203 67 HD13 LEU 10 3HD1 LEU 10 -13.491 8.339 6.617 68 HD21 LEU 10 3HD2 LEU 10 -10.839 8.523 5.060 69 HD22 LEU 10 1HD2 LEU 10 -12.295 7.660 4.563 70 HD23 LEU 10 2HD2 LEU 10 -10.757 6.805 4.670 71 H TRP 11 HN TRP 11 -8.462 7.898 9.395 72 HA TRP 11 HA TRP 11 -6.370 6.097 8.936 73 HD1 TRP 11 1HD TRP 11 -4.552 8.658 12.297 74 HE1 TRP 11 1HE TRP 11 -2.097 7.906 12.300 75 HE3 TRP 11 3HE TRP 11 -4.389 6.452 7.694 76 HZ2 TRP 11 2HZ TRP 11 -0.318 6.557 10.566 77 HZ3 TRP 11 3HZ TRP 11 -2.277 5.451 6.942 78 HH2 TRP 11 2HH TRP 11 -0.283 5.500 8.346 79 HB2 TRP 11 2HB TRP 11 -5.994 8.487 8.959 80 HB3 TRP 11 1HB TRP 11 -6.490 8.587 10.645 81 H GLN 12 HN GLN 12 -7.639 7.254 12.053 82 HA GLN 12 HA GLN 12 -6.110 5.681 13.724 83 HB2 GLN 12 2HB GLN 12 -7.520 7.562 14.456 84 HB3 GLN 12 1HB GLN 12 -8.956 6.589 14.178 85 HG2 GLN 12 2HG GLN 12 -8.306 5.052 15.916 86 HG3 GLN 12 1HG GLN 12 -6.783 5.910 16.144 87 HE21 GLN 12 1HE2 GLN 12 -6.771 7.900 17.162 88 HE22 GLN 12 2HE2 GLN 12 -8.120 8.468 18.094 89 H ARG 13 HN ARG 13 -9.170 4.814 12.127 90 HA ARG 13 HA ARG 13 -9.450 2.384 13.606 91 HE ARG 13 HE ARG 13 -13.633 3.491 15.064 92 HB2 ARG 13 2HB ARG 13 -10.805 3.393 11.113 93 HB3 ARG 13 1HB ARG 13 -11.164 1.824 11.826 94 HG2 ARG 13 2HG ARG 13 -11.524 4.517 13.112 95 HG3 ARG 13 1HG ARG 13 -12.790 3.414 12.568 96 HD2 ARG 13 2HD ARG 13 -12.092 1.767 14.214 97 HD3 ARG 13 1HD ARG 13 -10.776 2.818 14.732 98 HH11 ARG 13 1HH1 ARG 13 -10.321 3.479 16.212 99 HH12 ARG 13 2HH1 ARG 13 -10.700 4.294 17.692 100 HH21 ARG 13 1HH2 ARG 13 -14.132 4.553 17.025 101 HH22 ARG 13 2HH2 ARG 13 -12.861 4.893 18.166 102 H LEU 14 HN LEU 14 -7.931 3.235 10.561 103 HA LEU 14 HA LEU 14 -7.573 0.561 9.658 104 HG LEU 14 HG LEU 14 -8.260 3.370 8.291 105 HB2 LEU 14 2HB LEU 14 -5.969 3.037 9.005 106 HB3 LEU 14 1HB LEU 14 -5.885 1.515 8.139 107 HD11 LEU 14 1HD1 LEU 14 -6.500 4.157 6.812 108 HD12 LEU 14 2HD1 LEU 14 -7.899 3.618 5.883 109 HD13 LEU 14 3HD1 LEU 14 -6.467 2.595 5.993 110 HD21 LEU 14 3HD2 LEU 14 -9.001 1.049 8.291 111 HD22 LEU 14 1HD2 LEU 14 -7.993 0.714 6.884 112 HD23 LEU 14 2HD2 LEU 14 -9.357 1.822 6.747 113 H LEU 15 HN LEU 15 -5.819 2.691 11.774 114 HA LEU 15 HA LEU 15 -3.478 1.166 12.117 115 HG LEU 15 HG LEU 15 -4.445 4.224 12.177 116 HB2 LEU 15 2HB LEU 15 -4.916 2.861 14.163 117 HB3 LEU 15 1HB LEU 15 -3.236 2.370 14.228 118 HD11 LEU 15 1HD1 LEU 15 -2.603 4.787 14.495 119 HD12 LEU 15 2HD1 LEU 15 -4.303 5.240 14.382 120 HD13 LEU 15 3HD1 LEU 15 -3.126 5.955 13.280 121 HD21 LEU 15 3HD2 LEU 15 -2.142 4.590 11.452 122 HD22 LEU 15 1HD2 LEU 15 -2.617 2.902 11.256 123 HD23 LEU 15 2HD2 LEU 15 -1.584 3.376 12.605 124 H THR 16 HN THR 16 -6.611 1.130 13.753 125 HA THR 16 HA THR 16 -6.002 -0.955 15.574 126 HB THR 16 HB THR 16 -8.782 -0.352 14.591 127 HG1 THR 16 1HG THR 16 -7.687 1.162 16.685 128 HG21 THR 16 3HG2 THR 16 -7.647 -1.049 17.307 129 HG22 THR 16 1HG2 THR 16 -8.533 -2.138 16.238 130 HG23 THR 16 2HG2 THR 16 -9.350 -0.750 16.954 131 H ARG 17 HN ARG 17 -7.039 -0.893 12.249 132 HA ARG 17 HA ARG 17 -8.039 -3.556 12.149 133 HE ARG 17 HE ARG 17 -10.309 -1.549 9.215 134 HB2 ARG 17 2HB ARG 17 -8.641 -1.779 10.511 135 HB3 ARG 17 1HB ARG 17 -7.007 -1.860 9.864 136 HG2 ARG 17 2HG ARG 17 -7.343 -3.987 8.966 137 HG3 ARG 17 1HG ARG 17 -8.764 -4.284 9.971 138 HD2 ARG 17 2HD ARG 17 -8.587 -2.264 7.729 139 HD3 ARG 17 1HD ARG 17 -9.366 -3.843 7.623 140 HH11 ARG 17 1HH1 ARG 17 -10.835 -4.765 7.938 141 HH12 ARG 17 2HH1 ARG 17 -12.555 -4.729 8.197 142 HH21 ARG 17 1HH2 ARG 17 -12.561 -1.490 9.554 143 HH22 ARG 17 2HH2 ARG 17 -13.536 -2.856 9.106 144 H GLY 18 HN GLY 18 -4.862 -2.154 11.934 145 HA2 GLY 18 2HA GLY 18 -3.072 -3.609 12.716 146 HA3 GLY 18 1HA GLY 18 -3.811 -4.912 11.802 147 H TRP 19 HN TRP 19 -3.539 -1.738 10.411 148 HA TRP 19 HA TRP 19 -1.566 -2.790 8.522 149 HD1 TRP 19 1HD TRP 19 -3.270 -4.049 8.018 150 HE1 TRP 19 1HE TRP 19 -5.367 -4.864 6.792 151 HE3 TRP 19 3HE TRP 19 -5.013 0.441 6.324 152 HZ2 TRP 19 2HZ TRP 19 -7.475 -3.758 5.281 153 HZ3 TRP 19 3HZ TRP 19 -7.072 0.475 4.987 154 HH2 TRP 19 2HH TRP 19 -8.275 -1.580 4.473 155 HB2 TRP 19 2HB TRP 19 -3.336 -0.344 8.374 156 HB3 TRP 19 1HB TRP 19 -2.222 -0.869 7.110 157 H GLN 20 HN GLN 20 0.340 -1.730 8.050 158 HA GLN 20 HA GLN 20 1.480 -0.428 10.364 159 HB2 GLN 20 2HB GLN 20 2.651 -2.238 9.081 160 HB3 GLN 20 1HB GLN 20 2.802 -1.120 7.732 161 HG2 GLN 20 2HG GLN 20 4.869 -1.133 8.903 162 HG3 GLN 20 1HG GLN 20 4.079 0.407 9.233 163 HE21 GLN 20 1HE2 GLN 20 5.217 0.740 11.143 164 HE22 GLN 20 2HE2 GLN 20 4.910 -0.194 12.571 165 HA PRO 21 HA PRO 21 1.010 3.662 8.555 166 HB2 PRO 21 2HB PRO 21 2.369 4.664 10.913 167 HB3 PRO 21 1HB PRO 21 0.677 4.851 10.455 168 HG2 PRO 21 2HG PRO 21 1.515 3.348 12.577 169 HG3 PRO 21 1HG PRO 21 0.009 3.054 11.692 170 HD2 PRO 21 2HD PRO 21 2.638 1.642 11.487 171 HD3 PRO 21 1HD PRO 21 0.990 0.981 11.419 172 H VAL 22 HN VAL 22 2.446 3.945 6.922 173 HA VAL 22 HA VAL 22 5.308 3.874 7.609 174 HB VAL 22 HB VAL 22 5.716 3.413 5.195 175 HG11 VAL 22 1HG1 VAL 22 5.031 1.062 5.294 176 HG12 VAL 22 2HG1 VAL 22 3.956 1.437 6.642 177 HG13 VAL 22 3HG1 VAL 22 5.701 1.615 6.830 178 HG21 VAL 22 3HG2 VAL 22 2.712 3.106 5.100 179 HG22 VAL 22 1HG2 VAL 22 3.826 2.616 3.823 180 HG23 VAL 22 2HG2 VAL 22 3.670 4.320 4.251 181 H GLU 23 HN GLU 23 6.738 5.285 6.552 182 HA GLU 23 HA GLU 23 5.544 7.843 5.717 183 HB2 GLU 23 2HB GLU 23 8.335 7.345 6.771 184 HB3 GLU 23 1HB GLU 23 7.592 8.905 6.457 185 HG2 GLU 23 2HG GLU 23 6.112 8.666 8.290 186 HG3 GLU 23 1HG GLU 23 6.558 6.973 8.507 187 H ALA 24 HN ALA 24 6.916 9.028 4.083 188 HA ALA 24 HA ALA 24 7.351 7.448 1.802 189 HB1 ALA 24 1HB ALA 24 8.424 10.209 2.370 190 HB2 ALA 24 2HB ALA 24 6.823 9.845 1.727 191 HB3 ALA 24 3HB ALA 24 8.261 9.457 0.783 192 H SER 25 HN SER 25 9.454 8.360 4.402 193 HA SER 25 HA SER 25 11.905 7.733 3.069 194 HG SER 25 HG SER 25 11.374 8.093 7.024 195 HB2 SER 25 2HB SER 25 12.784 7.859 5.480 196 HB3 SER 25 1HB SER 25 12.048 9.320 4.821 197 H THR 26 HN THR 26 10.110 6.168 5.725 198 HA THR 26 HA THR 26 11.870 3.917 5.729 199 HB THR 26 HB THR 26 10.892 4.689 7.810 200 HG1 THR 26 1HG THR 26 11.314 2.369 7.449 201 HG21 THR 26 3HG2 THR 26 8.243 3.893 6.606 202 HG22 THR 26 1HG2 THR 26 8.758 5.524 7.034 203 HG23 THR 26 2HG2 THR 26 8.496 4.323 8.299 204 H VAL 27 HN VAL 27 8.972 4.658 3.999 205 HA VAL 27 HA VAL 27 7.838 2.104 3.814 206 HB VAL 27 HB VAL 27 6.700 4.202 3.089 207 HG11 VAL 27 1HG1 VAL 27 8.388 3.920 0.605 208 HG12 VAL 27 2HG1 VAL 27 8.511 5.210 1.801 209 HG13 VAL 27 3HG1 VAL 27 7.051 5.048 0.827 210 HG21 VAL 27 3HG2 VAL 27 5.507 3.186 1.189 211 HG22 VAL 27 1HG2 VAL 27 5.750 2.054 2.520 212 HG23 VAL 27 2HG2 VAL 27 6.765 1.954 1.081 213 H ASP 28 HN ASP 28 10.416 3.600 1.927 214 HA ASP 28 HA ASP 28 10.599 1.645 -0.090 215 HB2 ASP 28 2HB ASP 28 11.711 3.781 -0.342 216 HB3 ASP 28 1HB ASP 28 12.706 3.474 1.076 217 H ASP 29 HN ASP 29 12.213 1.969 3.028 218 HA ASP 29 HA ASP 29 13.790 -0.388 2.780 219 HB2 ASP 29 2HB ASP 29 14.405 1.442 4.294 220 HB3 ASP 29 1HB ASP 29 12.957 1.155 5.248 221 H TRP 30 HN TRP 30 10.677 0.364 4.240 222 HA TRP 30 HA TRP 30 10.136 -2.096 5.455 223 HD1 TRP 30 1HD TRP 30 7.909 -1.903 7.573 224 HE1 TRP 30 1HE TRP 30 5.750 -3.309 7.621 225 HE3 TRP 30 3HE TRP 30 6.494 -1.365 2.688 226 HZ2 TRP 30 2HZ TRP 30 3.725 -4.089 5.810 227 HZ3 TRP 30 3HZ TRP 30 4.438 -2.477 1.927 228 HH2 TRP 30 2HH TRP 30 3.081 -3.811 3.457 229 HB2 TRP 30 2HB TRP 30 8.784 -0.058 5.800 230 HB3 TRP 30 1HB TRP 30 8.180 -0.184 4.153 231 H ILE 31 HN ILE 31 9.325 -0.957 2.186 232 HA ILE 31 HA ILE 31 8.121 -3.327 1.277 233 HB ILE 31 HB ILE 31 9.580 -1.177 -0.263 234 HG12 ILE 31 2HG1 ILE 31 6.613 -1.666 0.003 235 HG13 ILE 31 1HG1 ILE 31 7.504 -0.576 1.059 236 HG21 ILE 31 1HG2 ILE 31 8.462 -2.047 -2.258 237 HG22 ILE 31 2HG2 ILE 31 7.801 -3.377 -1.309 238 HG23 ILE 31 3HG2 ILE 31 9.542 -3.247 -1.551 239 HD11 ILE 31 3HD1 ILE 31 7.202 -0.320 -1.922 240 HD12 ILE 31 1HD1 ILE 31 8.146 0.757 -0.893 241 HD13 ILE 31 2HD1 ILE 31 6.397 0.654 -0.693 242 H LYS 32 HN LYS 32 11.461 -2.190 1.116 243 HA LYS 32 HA LYS 32 12.587 -4.343 -0.268 244 HB2 LYS 32 2HB LYS 32 13.704 -2.191 0.148 245 HB3 LYS 32 1HB LYS 32 13.771 -2.544 1.862 246 HG2 LYS 32 2HG LYS 32 15.105 -4.372 -0.085 247 HG3 LYS 32 1HG LYS 32 15.871 -2.855 0.374 248 HD2 LYS 32 2HD LYS 32 15.086 -5.126 2.180 249 HD3 LYS 32 1HD LYS 32 16.716 -4.591 1.787 250 HE2 LYS 32 2HE LYS 32 14.650 -3.041 3.345 251 HE3 LYS 32 1HE LYS 32 16.072 -3.839 4.008 252 HZ1 LYS 32 3HZ LYS 32 16.045 -1.517 2.150 253 HZ2 LYS 32 1HZ LYS 32 17.447 -2.334 2.648 254 HZ3 LYS 32 2HZ LYS 32 16.495 -1.512 3.785 255 H ARG 33 HN ARG 33 11.579 -3.984 3.032 256 HA ARG 33 HA ARG 33 13.073 -6.215 4.069 257 HE ARG 33 HE ARG 33 11.427 -6.600 9.165 258 HB2 ARG 33 2HB ARG 33 12.403 -4.166 5.349 259 HB3 ARG 33 1HB ARG 33 10.747 -4.728 5.285 260 HG2 ARG 33 2HG ARG 33 11.381 -6.731 6.540 261 HG3 ARG 33 1HG ARG 33 13.041 -6.131 6.631 262 HD2 ARG 33 2HD ARG 33 12.231 -4.120 7.785 263 HD3 ARG 33 1HD ARG 33 10.592 -4.762 7.732 264 HH11 ARG 33 1HH1 ARG 33 13.307 -3.657 8.964 265 HH12 ARG 33 2HH1 ARG 33 13.891 -3.760 10.601 266 HH21 ARG 33 1HH2 ARG 33 12.189 -6.768 11.294 267 HH22 ARG 33 2HH2 ARG 33 13.250 -5.543 11.940 268 H VAL 34 HN VAL 34 9.666 -5.556 3.329 269 HA VAL 34 HA VAL 34 8.900 -8.248 4.067 270 HB VAL 34 HB VAL 34 6.622 -7.613 3.427 271 HG11 VAL 34 1HG1 VAL 34 7.415 -7.087 5.667 272 HG12 VAL 34 2HG1 VAL 34 6.280 -5.862 5.100 273 HG13 VAL 34 3HG1 VAL 34 8.011 -5.527 5.102 274 HG21 VAL 34 3HG2 VAL 34 7.807 -4.954 2.631 275 HG22 VAL 34 1HG2 VAL 34 6.090 -5.354 2.682 276 HG23 VAL 34 2HG2 VAL 34 7.150 -6.159 1.523 277 H GLY 35 HN GLY 35 9.476 -6.464 1.113 278 HA2 GLY 35 2HA GLY 35 10.005 -7.327 -0.967 279 HA3 GLY 35 1HA GLY 35 9.632 -8.937 -0.370 280 H ASP 36 HN ASP 36 7.129 -8.837 0.416 281 HA ASP 36 HA ASP 36 5.647 -8.061 -2.000 282 HB2 ASP 36 2HB ASP 36 5.079 -10.472 -0.273 283 HB3 ASP 36 1HB ASP 36 4.410 -10.098 -1.850 284 H GLY 37 HN GLY 37 3.785 -6.932 -1.669 285 HA2 GLY 37 2HA GLY 37 2.027 -7.118 0.441 286 HA3 GLY 37 1HA GLY 37 3.241 -5.964 0.970 287 H VAL 38 HN VAL 38 0.898 -4.907 0.930 288 HA VAL 38 HA VAL 38 0.825 -3.332 -1.551 289 HB VAL 38 HB VAL 38 -1.646 -3.169 -1.359 290 HG11 VAL 38 1HG1 VAL 38 -2.136 -5.388 -2.267 291 HG12 VAL 38 2HG1 VAL 38 -0.582 -5.973 -1.673 292 HG13 VAL 38 3HG1 VAL 38 -0.636 -4.735 -2.928 293 HG21 VAL 38 3HG2 VAL 38 -1.335 -5.368 0.683 294 HG22 VAL 38 1HG2 VAL 38 -2.860 -4.781 0.020 295 HG23 VAL 38 2HG2 VAL 38 -1.862 -3.718 1.013 296 H ILE 39 HN ILE 39 0.517 -1.188 -1.329 297 HA ILE 39 HA ILE 39 0.280 -0.159 1.421 298 HB ILE 39 HB ILE 39 1.731 1.046 -0.948 299 HG12 ILE 39 2HG1 ILE 39 3.628 1.052 0.796 300 HG13 ILE 39 1HG1 ILE 39 2.621 -0.063 1.710 301 HG21 ILE 39 1HG2 ILE 39 2.290 2.932 0.518 302 HG22 ILE 39 2HG2 ILE 39 1.231 2.270 1.762 303 HG23 ILE 39 3HG2 ILE 39 0.555 2.813 0.227 304 HD11 ILE 39 3HD1 ILE 39 4.298 -1.235 0.406 305 HD12 ILE 39 1HD1 ILE 39 3.666 -0.511 -1.074 306 HD13 ILE 39 2HD1 ILE 39 2.671 -1.637 -0.148 307 H LEU 40 HN LEU 40 -1.445 1.039 1.873 308 HA LEU 40 HA LEU 40 -3.143 1.920 -0.356 309 HG LEU 40 HG LEU 40 -3.757 -0.616 1.394 310 HB2 LEU 40 2HB LEU 40 -3.767 1.508 2.570 311 HB3 LEU 40 1HB LEU 40 -4.898 2.177 1.411 312 HD11 LEU 40 1HD1 LEU 40 -5.483 -0.243 3.073 313 HD12 LEU 40 2HD1 LEU 40 -6.069 -1.287 1.777 314 HD13 LEU 40 3HD1 LEU 40 -6.556 0.407 1.833 315 HD21 LEU 40 3HD2 LEU 40 -5.244 -0.997 -0.519 316 HD22 LEU 40 1HD2 LEU 40 -4.000 0.199 -0.882 317 HD23 LEU 40 2HD2 LEU 40 -5.649 0.719 -0.536 318 H LEU 41 HN LEU 41 -3.387 4.000 -0.794 319 HA LEU 41 HA LEU 41 -2.036 5.981 0.817 320 HG LEU 41 HG LEU 41 -1.583 5.097 -2.148 321 HB2 LEU 41 2HB LEU 41 -3.702 6.256 -1.687 322 HB3 LEU 41 1HB LEU 41 -2.821 7.566 -0.925 323 HD11 LEU 41 1HD1 LEU 41 -2.471 6.610 -3.828 324 HD12 LEU 41 2HD1 LEU 41 -0.707 6.662 -3.820 325 HD13 LEU 41 3HD1 LEU 41 -1.630 7.966 -3.074 326 HD21 LEU 41 3HD2 LEU 41 -0.298 7.536 -0.929 327 HD22 LEU 41 1HD2 LEU 41 0.548 6.228 -1.756 328 HD23 LEU 41 2HD2 LEU 41 -0.299 5.912 -0.241 329 H SER 42 HN SER 42 -3.132 7.953 1.544 330 HA SER 42 HA SER 42 -5.259 7.423 3.254 331 HG SER 42 HG SER 42 -5.021 9.922 4.809 332 HB2 SER 42 2HB SER 42 -3.608 9.332 3.400 333 HB3 SER 42 1HB SER 42 -4.540 10.146 2.147 334 H SER 43 HN SER 43 -7.300 7.000 2.801 335 HA SER 43 HA SER 43 -8.326 7.504 0.146 336 HG SER 43 HG SER 43 -7.507 5.378 1.176 337 HB2 SER 43 2HB SER 43 -9.709 6.148 2.465 338 HB3 SER 43 1HB SER 43 -10.094 5.997 0.750 339 H ASP 44 HN ASP 44 -8.017 9.916 1.196 340 HA ASP 44 HA ASP 44 -10.486 10.808 2.422 341 HB2 ASP 44 2HB ASP 44 -8.327 11.862 3.047 342 HB3 ASP 44 1HB ASP 44 -8.172 12.475 1.402 343 HA PRO 45 HA PRO 45 -11.194 12.531 -2.030 344 HB2 PRO 45 2HB PRO 45 -9.495 11.696 -3.983 345 HB3 PRO 45 1HB PRO 45 -9.261 13.203 -3.089 346 HG2 PRO 45 2HG PRO 45 -7.945 10.546 -2.708 347 HG3 PRO 45 1HG PRO 45 -7.236 12.171 -2.643 348 HD2 PRO 45 2HD PRO 45 -7.877 10.740 -0.424 349 HD3 PRO 45 1HD PRO 45 -7.916 12.513 -0.480 350 H ARG 46 HN ARG 46 -12.660 11.436 -3.305 351 HA ARG 46 HA ARG 46 -12.429 8.510 -3.427 352 HE ARG 46 HE ARG 46 -13.652 7.930 1.630 353 HB2 ARG 46 2HB ARG 46 -14.813 10.004 -2.309 354 HB3 ARG 46 1HB ARG 46 -14.759 8.271 -2.620 355 HG2 ARG 46 2HG ARG 46 -13.127 7.935 -0.933 356 HG3 ARG 46 1HG ARG 46 -12.864 9.670 -0.751 357 HD2 ARG 46 2HD ARG 46 -15.174 9.910 0.060 358 HD3 ARG 46 1HD ARG 46 -15.384 8.161 -0.069 359 HH11 ARG 46 1HH1 ARG 46 -15.216 11.049 1.304 360 HH12 ARG 46 2HH1 ARG 46 -14.732 11.593 2.878 361 HH21 ARG 46 1HH2 ARG 46 -13.016 8.651 3.701 362 HH22 ARG 46 2HH2 ARG 46 -13.458 10.242 4.235 363 H ARG 47 HN ARG 47 -13.168 7.651 -5.282 364 HA ARG 47 HA ARG 47 -14.069 9.336 -7.393 365 HE ARG 47 HE ARG 47 -14.643 6.373 -11.804 366 HB2 ARG 47 2HB ARG 47 -12.804 7.282 -7.853 367 HB3 ARG 47 1HB ARG 47 -14.115 6.316 -7.185 368 HG2 ARG 47 2HG ARG 47 -15.602 7.277 -8.962 369 HG3 ARG 47 1HG ARG 47 -14.158 7.985 -9.685 370 HD2 ARG 47 2HD ARG 47 -13.193 5.781 -9.980 371 HD3 ARG 47 1HD ARG 47 -14.577 5.043 -9.173 372 HH11 ARG 47 1HH1 ARG 47 -16.011 4.163 -9.468 373 HH12 ARG 47 2HH1 ARG 47 -17.254 3.586 -10.538 374 HH21 ARG 47 1HH2 ARG 47 -16.249 5.636 -13.221 375 HH22 ARG 47 2HH2 ARG 47 -17.401 4.446 -12.682 376 H THR 48 HN THR 48 -15.692 6.766 -5.543 377 HA THR 48 HA THR 48 -18.266 7.883 -6.424 378 HB THR 48 HB THR 48 -19.181 5.615 -5.744 379 HG1 THR 48 1HG THR 48 -17.702 4.538 -4.627 380 HG21 THR 48 3HG2 THR 48 -17.165 5.747 -7.988 381 HG22 THR 48 1HG2 THR 48 -18.868 6.193 -8.081 382 HG23 THR 48 2HG2 THR 48 -18.409 4.509 -7.818 383 HA PRO 49 HA PRO 49 -19.025 9.107 -2.207 384 HB2 PRO 49 2HB PRO 49 -21.878 8.906 -2.943 385 HB3 PRO 49 1HB PRO 49 -20.957 10.299 -2.366 386 HG2 PRO 49 2HG PRO 49 -21.754 10.127 -4.915 387 HG3 PRO 49 1HG PRO 49 -20.188 10.837 -4.482 388 HD2 PRO 49 2HD PRO 49 -20.797 8.107 -5.556 389 HD3 PRO 49 1HD PRO 49 -19.479 9.218 -5.988 390 H GLU 50 HN GLU 50 -20.442 6.300 -3.709 391 HA GLU 50 HA GLU 50 -21.248 5.229 -1.111 392 HB2 GLU 50 2HB GLU 50 -21.559 3.902 -3.805 393 HB3 GLU 50 1HB GLU 50 -22.360 3.470 -2.304 394 HG2 GLU 50 2HG GLU 50 -24.066 4.597 -3.221 395 HG3 GLU 50 1HG GLU 50 -23.221 5.996 -2.561 396 H VAL 51 HN VAL 51 -20.097 3.768 -0.036 397 HA VAL 51 HA VAL 51 -18.893 1.882 0.385 398 HB VAL 51 HB VAL 51 -18.462 1.729 -2.603 399 HG11 VAL 51 1HG1 VAL 51 -16.698 0.543 -1.405 400 HG12 VAL 51 2HG1 VAL 51 -17.786 -0.593 -2.200 401 HG13 VAL 51 3HG1 VAL 51 -17.909 -0.327 -0.462 402 HG21 VAL 51 3HG2 VAL 51 -20.361 0.220 -0.809 403 HG22 VAL 51 1HG2 VAL 51 -20.169 -0.009 -2.547 404 HG23 VAL 51 2HG2 VAL 51 -20.806 1.512 -1.921 405 H SER 52 HN SER 52 -17.494 4.359 -1.641 406 HA SER 52 HA SER 52 -14.783 3.495 -1.272 407 HG SER 52 HG SER 52 -13.462 5.758 -1.773 408 HB2 SER 52 2HB SER 52 -15.585 4.709 -3.303 409 HB3 SER 52 1HB SER 52 -15.802 6.150 -2.313 410 H ASP 53 HN ASP 53 -16.735 4.604 0.983 411 HA ASP 53 HA ASP 53 -15.407 6.796 2.157 412 HB2 ASP 53 2HB ASP 53 -17.415 4.805 3.037 413 HB3 ASP 53 1HB ASP 53 -16.485 5.579 4.315 414 H ASN 54 HN ASN 54 -15.288 3.340 3.013 415 HA ASN 54 HA ASN 54 -12.645 3.825 4.221 416 HB2 ASN 54 2HB ASN 54 -15.020 2.384 5.349 417 HB3 ASN 54 1HB ASN 54 -13.404 1.855 5.793 418 HD21 ASN 54 1HD2 ASN 54 -14.088 5.214 5.150 419 HD22 ASN 54 2HD2 ASN 54 -13.960 5.746 6.789 420 HA PRO 55 HA PRO 55 -11.477 0.340 1.699 421 HB2 PRO 55 2HB PRO 55 -8.964 0.022 2.636 422 HB3 PRO 55 1HB PRO 55 -9.413 1.346 1.556 423 HG2 PRO 55 2HG PRO 55 -8.988 1.368 4.507 424 HG3 PRO 55 1HG PRO 55 -8.571 2.598 3.303 425 HD2 PRO 55 2HD PRO 55 -10.780 2.699 4.953 426 HD3 PRO 55 1HD PRO 55 -10.635 3.560 3.410 427 H VAL 56 HN VAL 56 -12.866 -1.216 2.540 428 HA VAL 56 HA VAL 56 -11.838 -2.757 4.842 429 HB VAL 56 HB VAL 56 -14.714 -2.556 3.906 430 HG11 VAL 56 1HG1 VAL 56 -14.232 -4.685 4.976 431 HG12 VAL 56 2HG1 VAL 56 -15.245 -3.688 6.021 432 HG13 VAL 56 3HG1 VAL 56 -13.522 -3.850 6.358 433 HG21 VAL 56 3HG2 VAL 56 -13.916 -0.441 4.861 434 HG22 VAL 56 1HG2 VAL 56 -13.405 -1.295 6.317 435 HG23 VAL 56 2HG2 VAL 56 -15.117 -1.212 5.898 436 H MET 57 HN MET 57 -12.865 -2.802 1.547 437 HA MET 57 HA MET 57 -13.193 -5.695 1.478 438 HB2 MET 57 2HB MET 57 -13.567 -3.566 -0.626 439 HB3 MET 57 1HB MET 57 -13.746 -5.286 -0.950 440 HG2 MET 57 2HG MET 57 -15.532 -5.402 0.722 441 HG3 MET 57 1HG MET 57 -15.362 -3.672 1.011 442 HE1 MET 57 3HE MET 57 -16.286 -6.430 -1.631 443 HE2 MET 57 1HE MET 57 -15.066 -5.479 -2.480 444 HE3 MET 57 2HE MET 57 -16.744 -5.447 -3.024 445 H ILE 58 HN ILE 58 -10.557 -3.981 1.637 446 HA ILE 58 HA ILE 58 -9.093 -5.044 -0.617 447 HB ILE 58 HB ILE 58 -8.597 -2.825 0.506 448 HG12 ILE 58 2HG1 ILE 58 -6.097 -3.129 0.362 449 HG13 ILE 58 1HG1 ILE 58 -6.384 -4.853 0.158 450 HG21 ILE 58 1HG2 ILE 58 -7.142 -2.872 2.483 451 HG22 ILE 58 2HG2 ILE 58 -7.390 -4.615 2.603 452 HG23 ILE 58 3HG2 ILE 58 -8.752 -3.515 2.809 453 HD11 ILE 58 3HD1 ILE 58 -6.002 -3.794 -1.980 454 HD12 ILE 58 1HD1 ILE 58 -7.321 -2.662 -1.682 455 HD13 ILE 58 2HD1 ILE 58 -7.662 -4.380 -1.880 456 H ALA 59 HN ALA 59 -10.125 -6.187 2.358 457 HA ALA 59 HA ALA 59 -7.811 -7.638 3.191 458 HB1 ALA 59 1HB ALA 59 -10.681 -7.927 4.064 459 HB2 ALA 59 2HB ALA 59 -9.486 -6.848 4.782 460 HB3 ALA 59 3HB ALA 59 -9.273 -8.595 4.889 461 H GLU 60 HN GLU 60 -10.945 -8.664 1.812 462 HA GLU 60 HA GLU 60 -10.275 -11.401 1.676 463 HB2 GLU 60 2HB GLU 60 -12.156 -11.508 -0.039 464 HB3 GLU 60 1HB GLU 60 -12.566 -10.953 1.577 465 HG2 GLU 60 2HG GLU 60 -11.878 -8.925 -0.484 466 HG3 GLU 60 1HG GLU 60 -13.439 -9.736 -0.576 467 H LEU 61 HN LEU 61 -9.599 -8.752 -0.434 468 HA LEU 61 HA LEU 61 -9.073 -10.042 -2.842 469 HG LEU 61 HG LEU 61 -7.849 -6.855 -4.123 470 HB2 LEU 61 2HB LEU 61 -9.095 -7.546 -2.274 471 HB3 LEU 61 1HB LEU 61 -7.442 -7.757 -1.759 472 HD11 LEU 61 1HD1 LEU 61 -6.082 -9.269 -3.758 473 HD12 LEU 61 2HD1 LEU 61 -5.665 -7.609 -3.334 474 HD13 LEU 61 3HD1 LEU 61 -5.924 -8.049 -5.023 475 HD21 LEU 61 3HD2 LEU 61 -8.212 -8.527 -5.852 476 HD22 LEU 61 1HD2 LEU 61 -9.585 -8.467 -4.747 477 HD23 LEU 61 2HD2 LEU 61 -8.409 -9.776 -4.622 478 H LEU 62 HN LEU 62 -6.777 -9.204 -0.274 479 HA LEU 62 HA LEU 62 -4.552 -10.440 -1.453 480 HG LEU 62 HG LEU 62 -2.986 -8.799 -0.613 481 HB2 LEU 62 2HB LEU 62 -5.198 -9.524 1.307 482 HB3 LEU 62 1HB LEU 62 -3.759 -10.493 1.052 483 HD11 LEU 62 1HD1 LEU 62 -5.147 -7.835 -1.194 484 HD12 LEU 62 2HD1 LEU 62 -4.030 -6.599 -0.614 485 HD13 LEU 62 3HD1 LEU 62 -5.308 -7.198 0.443 486 HD21 LEU 62 3HD2 LEU 62 -2.140 -8.783 1.650 487 HD22 LEU 62 1HD2 LEU 62 -3.525 -7.832 2.187 488 HD23 LEU 62 2HD2 LEU 62 -2.353 -7.130 1.072 489 H ARG 63 HN ARG 63 -7.181 -11.829 0.293 490 HA ARG 63 HA ARG 63 -5.806 -14.171 1.197 491 HE ARG 63 HE ARG 63 -8.977 -11.907 4.759 492 HB2 ARG 63 2HB ARG 63 -8.770 -13.834 0.731 493 HB3 ARG 63 1HB ARG 63 -7.997 -15.064 1.718 494 HG2 ARG 63 2HG ARG 63 -7.226 -13.317 3.260 495 HG3 ARG 63 1HG ARG 63 -8.053 -12.106 2.274 496 HD2 ARG 63 2HD ARG 63 -10.147 -13.531 2.621 497 HD3 ARG 63 1HD ARG 63 -9.235 -14.335 3.898 498 HH11 ARG 63 1HH1 ARG 63 -11.796 -13.290 3.206 499 HH12 ARG 63 2HH1 ARG 63 -12.917 -12.203 3.986 500 HH21 ARG 63 1HH2 ARG 63 -10.447 -10.486 5.798 501 HH22 ARG 63 2HH2 ARG 63 -12.144 -10.586 5.422 502 H GLU 64 HN GLU 64 -6.757 -13.152 -1.861 503 HA GLU 64 HA GLU 64 -7.497 -15.792 -2.824 504 HB2 GLU 64 2HB GLU 64 -8.621 -13.593 -3.519 505 HB3 GLU 64 1HB GLU 64 -7.184 -13.301 -4.488 506 HG2 GLU 64 2HG GLU 64 -8.982 -14.246 -5.821 507 HG3 GLU 64 1HG GLU 64 -7.602 -15.342 -5.746 508 H PHE 65 HN PHE 65 -4.694 -13.952 -2.423 509 HA PHE 65 HA PHE 65 -3.284 -15.629 -4.391 510 HD1 PHE 65 2HD PHE 65 -3.781 -14.808 -6.269 511 HD2 PHE 65 1HD PHE 65 -3.027 -10.990 -4.555 512 HE1 PHE 65 2HE PHE 65 -5.024 -13.746 -8.107 513 HE2 PHE 65 1HE PHE 65 -4.283 -9.918 -6.382 514 HZ PHE 65 HZ PHE 65 -5.280 -11.296 -8.167 515 HB2 PHE 65 2HB PHE 65 -2.421 -12.906 -3.385 516 HB3 PHE 65 1HB PHE 65 -1.567 -13.894 -4.560 517 HA PRO 66 HA PRO 66 -1.702 -16.723 -0.208 518 HB2 PRO 66 2HB PRO 66 -2.280 -19.324 -0.194 519 HB3 PRO 66 1HB PRO 66 -3.543 -18.116 0.071 520 HG2 PRO 66 2HG PRO 66 -2.938 -19.722 -2.364 521 HG3 PRO 66 1HG PRO 66 -4.506 -19.206 -1.719 522 HD2 PRO 66 2HD PRO 66 -3.074 -17.967 -3.796 523 HD3 PRO 66 1HD PRO 66 -4.452 -17.278 -2.916 524 H GLN 67 HN GLN 67 -0.137 -16.340 -2.530 525 HA GLN 67 HA GLN 67 1.577 -18.707 -2.689 526 HB2 GLN 67 2HB GLN 67 1.657 -16.110 -4.237 527 HB3 GLN 67 1HB GLN 67 2.718 -17.485 -4.509 528 HG2 GLN 67 2HG GLN 67 0.871 -18.843 -5.208 529 HG3 GLN 67 1HG GLN 67 -0.275 -17.572 -4.779 530 HE21 GLN 67 1HE2 GLN 67 2.131 -18.616 -7.054 531 HE22 GLN 67 2HE2 GLN 67 1.753 -17.470 -8.289 532 H PHE 68 HN PHE 68 1.626 -15.315 -1.752 533 HA PHE 68 HA PHE 68 4.271 -15.730 -0.519 534 HD1 PHE 68 2HD PHE 68 5.589 -15.134 -3.074 535 HD2 PHE 68 1HD PHE 68 2.105 -12.708 -3.081 536 HE1 PHE 68 2HE PHE 68 5.489 -15.294 -5.530 537 HE2 PHE 68 1HE PHE 68 1.986 -12.856 -5.526 538 HZ PHE 68 HZ PHE 68 3.683 -14.154 -6.758 539 HB2 PHE 68 2HB PHE 68 3.290 -12.977 -1.121 540 HB3 PHE 68 1HB PHE 68 4.933 -13.606 -1.135 541 H ASP 69 HN ASP 69 4.587 -13.927 1.256 542 HA ASP 69 HA ASP 69 2.160 -13.853 2.925 543 HB2 ASP 69 2HB ASP 69 4.087 -14.874 4.036 544 HB3 ASP 69 1HB ASP 69 5.068 -13.455 3.679 545 H TRP 70 HN TRP 70 1.058 -12.059 2.524 546 HA TRP 70 HA TRP 70 2.469 -9.645 1.687 547 HD1 TRP 70 1HD TRP 70 0.289 -12.651 0.514 548 HE1 TRP 70 1HE TRP 70 0.495 -13.085 -2.008 549 HE3 TRP 70 3HE TRP 70 0.700 -7.815 -1.122 550 HZ2 TRP 70 2HZ TRP 70 0.770 -11.583 -4.379 551 HZ3 TRP 70 3HZ TRP 70 0.924 -7.408 -3.538 552 HH2 TRP 70 2HH TRP 70 0.960 -9.259 -5.132 553 HB2 TRP 70 2HB TRP 70 -0.500 -10.201 1.770 554 HB3 TRP 70 1HB TRP 70 0.266 -8.795 1.055 555 H GLN 71 HN GLN 71 2.446 -7.765 2.789 556 HA GLN 71 HA GLN 71 0.877 -7.630 5.273 557 HB2 GLN 71 2HB GLN 71 3.545 -6.378 4.621 558 HB3 GLN 71 1HB GLN 71 2.545 -5.829 5.956 559 HG2 GLN 71 2HG GLN 71 3.874 -7.266 7.077 560 HG3 GLN 71 1HG GLN 71 2.613 -8.394 6.586 561 HE21 GLN 71 1HE2 GLN 71 5.364 -8.929 7.248 562 HE22 GLN 71 2HE2 GLN 71 6.060 -9.674 5.856 563 H VAL 72 HN VAL 72 0.001 -5.480 5.778 564 HA VAL 72 HA VAL 72 -0.435 -3.907 3.319 565 HB VAL 72 HB VAL 72 -2.390 -4.132 5.612 566 HG11 VAL 72 1HG1 VAL 72 -2.719 -3.056 2.812 567 HG12 VAL 72 2HG1 VAL 72 -2.518 -2.078 4.266 568 HG13 VAL 72 3HG1 VAL 72 -3.951 -3.087 4.074 569 HG21 VAL 72 3HG2 VAL 72 -3.741 -5.554 4.114 570 HG22 VAL 72 1HG2 VAL 72 -2.212 -6.309 4.561 571 HG23 VAL 72 2HG2 VAL 72 -2.403 -5.582 2.966 572 H ALA 73 HN ALA 73 0.230 -1.884 3.389 573 HA ALA 73 HA ALA 73 0.688 -0.658 6.032 574 HB1 ALA 73 1HB ALA 73 2.539 0.592 5.034 575 HB2 ALA 73 2HB ALA 73 2.252 -0.204 3.487 576 HB3 ALA 73 3HB ALA 73 2.791 -1.147 4.877 577 H VAL 74 HN VAL 74 0.379 1.627 6.157 578 HA VAL 74 HA VAL 74 -1.371 2.718 4.055 579 HB VAL 74 HB VAL 74 -2.604 3.895 5.987 580 HG11 VAL 74 1HG1 VAL 74 -4.179 2.072 6.192 581 HG12 VAL 74 2HG1 VAL 74 -2.964 0.928 5.620 582 HG13 VAL 74 3HG1 VAL 74 -3.580 2.174 4.536 583 HG21 VAL 74 3HG2 VAL 74 -1.400 1.571 7.491 584 HG22 VAL 74 1HG2 VAL 74 -2.676 2.635 8.090 585 HG23 VAL 74 2HG2 VAL 74 -1.065 3.279 7.772 586 H ALA 75 HN ALA 75 -1.268 4.873 3.676 587 HA ALA 75 HA ALA 75 0.937 6.319 4.965 588 HB1 ALA 75 1HB ALA 75 -0.533 6.922 2.397 589 HB2 ALA 75 2HB ALA 75 1.053 6.161 2.530 590 HB3 ALA 75 3HB ALA 75 0.832 7.834 3.044 591 H ASP 76 HN ASP 76 0.557 7.985 6.253 592 HA ASP 76 HA ASP 76 -1.798 8.466 7.540 593 HB2 ASP 76 2HB ASP 76 0.276 9.227 8.443 594 HB3 ASP 76 1HB ASP 76 0.561 10.287 7.070 595 H LEU 77 HN LEU 77 -0.602 11.276 5.822 596 HA LEU 77 HA LEU 77 -2.630 11.315 3.829 597 HG LEU 77 HG LEU 77 -2.038 13.209 6.940 598 HB2 LEU 77 2HB LEU 77 -3.793 13.358 4.551 599 HB3 LEU 77 1HB LEU 77 -4.062 12.023 5.648 600 HD11 LEU 77 1HD1 LEU 77 -1.808 14.978 5.255 601 HD12 LEU 77 2HD1 LEU 77 -2.239 15.615 6.842 602 HD13 LEU 77 3HD1 LEU 77 -3.466 15.487 5.581 603 HD21 LEU 77 3HD2 LEU 77 -4.216 12.665 7.880 604 HD22 LEU 77 1HD2 LEU 77 -4.926 14.065 7.073 605 HD23 LEU 77 2HD2 LEU 77 -3.721 14.294 8.341 606 H GLU 78 HN GLU 78 -0.328 13.197 5.734 607 HA GLU 78 HA GLU 78 0.555 14.839 3.593 608 HB2 GLU 78 2HB GLU 78 1.033 15.374 5.941 609 HB3 GLU 78 1HB GLU 78 2.001 13.915 6.091 610 HG2 GLU 78 2HG GLU 78 3.559 14.815 4.405 611 HG3 GLU 78 1HG GLU 78 2.608 16.300 4.357 612 H GLN 79 HN GLN 79 1.557 11.749 4.910 613 HA GLN 79 HA GLN 79 3.813 11.312 3.308 614 HB2 GLN 79 2HB GLN 79 1.948 9.305 4.584 615 HB3 GLN 79 1HB GLN 79 3.537 8.931 3.926 616 HG2 GLN 79 2HG GLN 79 2.965 10.788 6.227 617 HG3 GLN 79 1HG GLN 79 3.603 9.148 6.347 618 HE21 GLN 79 1HE2 GLN 79 4.760 11.690 7.224 619 HE22 GLN 79 2HE2 GLN 79 6.293 11.805 6.429 620 H SER 80 HN SER 80 0.397 10.780 2.684 621 HA SER 80 HA SER 80 0.643 8.984 0.538 622 HG SER 80 HG SER 80 -0.854 8.779 2.317 623 HB2 SER 80 2HB SER 80 -1.514 11.045 1.045 624 HB3 SER 80 1HB SER 80 -1.640 9.682 -0.068 625 H GLU 81 HN GLU 81 0.774 12.492 0.687 626 HA GLU 81 HA GLU 81 0.693 13.038 -2.067 627 HB2 GLU 81 2HB GLU 81 0.468 14.706 -0.199 628 HB3 GLU 81 1HB GLU 81 2.201 14.575 0.053 629 HG2 GLU 81 2HG GLU 81 1.753 16.538 -1.226 630 HG3 GLU 81 1HG GLU 81 2.555 15.357 -2.264 631 H ALA 82 HN ALA 82 3.422 12.560 0.141 632 HA ALA 82 HA ALA 82 5.435 12.867 -1.827 633 HB1 ALA 82 1HB ALA 82 5.602 11.491 0.851 634 HB2 ALA 82 2HB ALA 82 5.842 13.214 0.565 635 HB3 ALA 82 3HB ALA 82 6.963 12.043 -0.125 636 H ILE 83 HN ILE 83 3.967 10.000 -0.323 637 HA ILE 83 HA ILE 83 5.552 8.086 -1.631 638 HB ILE 83 HB ILE 83 2.771 7.868 -0.476 639 HG12 ILE 83 2HG1 ILE 83 5.482 6.987 0.542 640 HG13 ILE 83 1HG1 ILE 83 4.570 8.377 1.121 641 HG21 ILE 83 1HG2 ILE 83 4.574 5.657 -1.454 642 HG22 ILE 83 2HG2 ILE 83 3.031 6.141 -2.157 643 HG23 ILE 83 3HG2 ILE 83 3.082 5.430 -0.543 644 HD11 ILE 83 3HD1 ILE 83 4.392 6.485 2.638 645 HD12 ILE 83 1HD1 ILE 83 3.714 5.502 1.340 646 HD13 ILE 83 2HD1 ILE 83 2.826 6.901 1.943 647 H GLY 84 HN GLY 84 2.384 9.455 -2.502 648 HA2 GLY 84 2HA GLY 84 1.946 7.907 -4.807 649 HA3 GLY 84 1HA GLY 84 1.260 9.497 -4.502 650 H ASP 85 HN ASP 85 3.532 11.036 -4.398 651 HA ASP 85 HA ASP 85 4.094 11.469 -7.132 652 HB2 ASP 85 2HB ASP 85 4.125 13.276 -5.484 653 HB3 ASP 85 1HB ASP 85 5.493 12.525 -4.674 654 H ARG 86 HN ARG 86 5.931 9.983 -4.517 655 HA ARG 86 HA ARG 86 8.380 9.715 -5.856 656 HE ARG 86 HE ARG 86 12.268 8.064 -3.836 657 HB2 ARG 86 2HB ARG 86 8.111 9.472 -3.424 658 HB3 ARG 86 1HB ARG 86 7.233 7.968 -3.673 659 HG2 ARG 86 2HG ARG 86 9.590 7.643 -3.012 660 HG3 ARG 86 1HG ARG 86 9.191 6.907 -4.568 661 HD2 ARG 86 2HD ARG 86 10.170 8.805 -5.733 662 HD3 ARG 86 1HD ARG 86 10.529 9.584 -4.194 663 HH11 ARG 86 1HH1 ARG 86 10.567 7.367 -6.821 664 HH12 ARG 86 2HH1 ARG 86 11.847 6.391 -7.474 665 HH21 ARG 86 1HH2 ARG 86 13.944 6.790 -4.681 666 HH22 ARG 86 2HH2 ARG 86 13.771 6.058 -6.251 667 H PHE 87 HN PHE 87 5.567 7.584 -5.760 668 HA PHE 87 HA PHE 87 6.977 5.633 -7.412 669 HD1 PHE 87 1HD PHE 87 7.639 4.022 -6.264 670 HD2 PHE 87 2HD PHE 87 4.143 4.807 -3.970 671 HE1 PHE 87 1HE PHE 87 8.726 3.047 -4.282 672 HE2 PHE 87 2HE PHE 87 5.223 3.835 -1.986 673 HZ PHE 87 HZ PHE 87 7.515 2.953 -2.137 674 HB2 PHE 87 2HB PHE 87 4.238 5.548 -6.139 675 HB3 PHE 87 1HB PHE 87 4.909 4.261 -7.135 676 H ASN 88 HN ASN 88 5.369 8.406 -7.954 677 HA ASN 88 HA ASN 88 4.555 9.412 -9.821 678 HB2 ASN 88 2HB ASN 88 5.839 6.991 -11.089 679 HB3 ASN 88 1HB ASN 88 5.102 8.283 -12.032 680 HD21 ASN 88 1HD2 ASN 88 7.675 7.486 -9.799 681 HD22 ASN 88 2HD2 ASN 88 8.678 8.840 -10.177 682 H VAL 89 HN VAL 89 2.776 7.847 -8.304 683 HA VAL 89 HA VAL 89 1.135 6.397 -10.249 684 HB VAL 89 HB VAL 89 1.728 5.375 -8.029 685 HG11 VAL 89 1HG1 VAL 89 0.494 6.066 -6.044 686 HG12 VAL 89 2HG1 VAL 89 -0.184 7.426 -6.936 687 HG13 VAL 89 3HG1 VAL 89 1.551 7.349 -6.630 688 HG21 VAL 89 3HG2 VAL 89 -0.493 4.450 -7.596 689 HG22 VAL 89 1HG2 VAL 89 -0.138 4.527 -9.322 690 HG23 VAL 89 2HG2 VAL 89 -1.211 5.719 -8.589 691 H ARG 90 HN ARG 90 1.404 9.313 -10.223 692 HA ARG 90 HA ARG 90 0.152 11.173 -10.547 693 HE ARG 90 HE ARG 90 0.534 9.822 -14.417 694 HB2 ARG 90 2HB ARG 90 -2.186 9.253 -10.394 695 HB3 ARG 90 1HB ARG 90 -2.293 10.932 -10.908 696 HG2 ARG 90 2HG ARG 90 -0.600 8.857 -12.283 697 HG3 ARG 90 1HG ARG 90 -2.243 9.280 -12.769 698 HD2 ARG 90 2HD ARG 90 -1.594 11.520 -13.279 699 HD3 ARG 90 1HD ARG 90 -0.001 11.281 -12.561 700 HH11 ARG 90 1HH1 ARG 90 -2.422 11.659 -14.785 701 HH12 ARG 90 2HH1 ARG 90 -2.338 11.689 -16.521 702 HH21 ARG 90 1HH2 ARG 90 0.657 9.844 -16.676 703 HH22 ARG 90 2HH2 ARG 90 -0.570 10.659 -17.609 704 H ARG 91 HN ARG 91 -2.522 11.646 -9.313 705 HA ARG 91 HA ARG 91 -1.649 11.750 -6.501 706 HE ARG 91 HE ARG 91 -1.624 16.227 -7.859 707 HB2 ARG 91 2HB ARG 91 -1.407 13.932 -7.815 708 HB3 ARG 91 1HB ARG 91 -3.164 13.978 -7.844 709 HG2 ARG 91 2HG ARG 91 -3.100 13.840 -5.332 710 HG3 ARG 91 1HG ARG 91 -1.357 14.086 -5.445 711 HD2 ARG 91 2HD ARG 91 -3.524 15.957 -6.384 712 HD3 ARG 91 1HD ARG 91 -2.437 16.194 -5.018 713 HH11 ARG 91 1HH1 ARG 91 -1.097 17.095 -4.508 714 HH12 ARG 91 2HH1 ARG 91 0.179 18.216 -4.864 715 HH21 ARG 91 1HH2 ARG 91 0.067 17.690 -8.328 716 HH22 ARG 91 2HH2 ARG 91 0.861 18.528 -7.032 717 H PHE 92 HN PHE 92 -3.186 9.708 -7.059 718 HA PHE 92 HA PHE 92 -5.697 10.455 -5.783 719 HD1 PHE 92 2HD PHE 92 -6.483 6.782 -7.622 720 HD2 PHE 92 1HD PHE 92 -4.511 9.862 -9.794 721 HE1 PHE 92 2HE PHE 92 -5.608 5.107 -9.197 722 HE2 PHE 92 1HE PHE 92 -3.643 8.193 -11.377 723 HZ PHE 92 HZ PHE 92 -4.189 5.813 -11.078 724 HB2 PHE 92 2HB PHE 92 -7.058 9.101 -7.294 725 HB3 PHE 92 1HB PHE 92 -6.241 10.379 -8.183 726 HA PRO 93 HA PRO 93 -4.925 6.899 -3.312 727 HB2 PRO 93 2HB PRO 93 -7.460 5.893 -2.973 728 HB3 PRO 93 1HB PRO 93 -6.787 7.249 -2.067 729 HG2 PRO 93 2HG PRO 93 -8.619 7.266 -4.424 730 HG3 PRO 93 1HG PRO 93 -8.625 8.310 -2.990 731 HD2 PRO 93 2HD PRO 93 -7.649 9.133 -5.370 732 HD3 PRO 93 1HD PRO 93 -6.967 9.679 -3.826 733 H ALA 94 HN ALA 94 -3.939 5.224 -4.132 734 HA ALA 94 HA ALA 94 -5.433 3.241 -5.669 735 HB1 ALA 94 1HB ALA 94 -2.778 4.349 -6.589 736 HB2 ALA 94 2HB ALA 94 -4.337 4.665 -7.348 737 HB3 ALA 94 3HB ALA 94 -3.677 3.029 -7.342 738 H THR 95 HN THR 95 -4.730 1.172 -5.344 739 HA THR 95 HA THR 95 -3.084 0.716 -3.041 740 HB THR 95 HB THR 95 -4.090 -1.337 -5.027 741 HG1 THR 95 1HG THR 95 -6.029 -1.039 -4.235 742 HG21 THR 95 3HG2 THR 95 -3.395 -1.531 -2.093 743 HG22 THR 95 1HG2 THR 95 -2.427 -2.154 -3.430 744 HG23 THR 95 2HG2 THR 95 -4.014 -2.845 -3.093 745 H LEU 96 HN LEU 96 -0.908 0.457 -3.062 746 HA LEU 96 HA LEU 96 0.417 0.134 -5.642 747 HG LEU 96 HG LEU 96 2.540 2.668 -3.984 748 HB2 LEU 96 2HB LEU 96 1.489 0.674 -2.874 749 HB3 LEU 96 1HB LEU 96 2.524 0.326 -4.244 750 HD11 LEU 96 1HD1 LEU 96 2.370 1.961 -6.288 751 HD12 LEU 96 2HD1 LEU 96 1.518 3.487 -6.053 752 HD13 LEU 96 3HD1 LEU 96 0.610 1.982 -6.189 753 HD21 LEU 96 3HD2 LEU 96 -0.473 2.604 -3.923 754 HD22 LEU 96 1HD2 LEU 96 0.534 4.051 -3.885 755 HD23 LEU 96 2HD2 LEU 96 0.588 2.904 -2.546 756 H VAL 97 HN VAL 97 1.104 -1.746 -6.361 757 HA VAL 97 HA VAL 97 0.896 -4.050 -4.559 758 HB VAL 97 HB VAL 97 0.949 -4.030 -7.581 759 HG11 VAL 97 1HG1 VAL 97 0.169 -6.355 -7.360 760 HG12 VAL 97 2HG1 VAL 97 0.355 -6.232 -5.609 761 HG13 VAL 97 3HG1 VAL 97 1.768 -6.111 -6.656 762 HG21 VAL 97 3HG2 VAL 97 -1.065 -2.944 -6.751 763 HG22 VAL 97 1HG2 VAL 97 -1.390 -4.320 -5.696 764 HG23 VAL 97 2HG2 VAL 97 -1.451 -4.518 -7.447 765 H PHE 98 HN PHE 98 2.795 -4.476 -3.659 766 HA PHE 98 HA PHE 98 5.190 -4.311 -5.347 767 HD1 PHE 98 2HD PHE 98 7.579 -2.935 -4.509 768 HD2 PHE 98 1HD PHE 98 3.895 -1.719 -2.772 769 HE1 PHE 98 2HE PHE 98 8.083 -0.612 -5.086 770 HE2 PHE 98 1HE PHE 98 4.389 0.621 -3.349 771 HZ PHE 98 HZ PHE 98 6.491 1.182 -4.507 772 HB2 PHE 98 2HB PHE 98 4.762 -3.926 -2.408 773 HB3 PHE 98 1HB PHE 98 6.350 -4.393 -3.018 774 H THR 99 HN THR 99 6.483 -5.975 -5.639 775 HA THR 99 HA THR 99 6.178 -8.405 -4.068 776 HB THR 99 HB THR 99 6.260 -9.275 -6.783 777 HG1 THR 99 1HG THR 99 4.333 -7.294 -6.196 778 HG21 THR 99 3HG2 THR 99 5.437 -10.571 -4.868 779 HG22 THR 99 1HG2 THR 99 4.239 -10.490 -6.158 780 HG23 THR 99 2HG2 THR 99 4.059 -9.481 -4.724 781 H ASP 100 HN ASP 100 8.060 -9.464 -3.870 782 HA ASP 100 HA ASP 100 10.300 -9.883 -3.951 783 HB2 ASP 100 2HB ASP 100 9.691 -10.337 -6.394 784 HB3 ASP 100 1HB ASP 100 10.329 -8.741 -6.743 785 H GLY 101 HN GLY 101 9.092 -7.129 -3.439 786 HA2 GLY 101 2HA GLY 101 10.045 -5.220 -2.499 787 HA3 GLY 101 1HA GLY 101 11.615 -5.742 -3.092 788 H LYS 102 HN LYS 102 9.540 -6.007 -5.634 789 HA LYS 102 HA LYS 102 10.320 -3.340 -6.623 790 HB2 LYS 102 2HB LYS 102 11.289 -5.501 -7.669 791 HB3 LYS 102 1HB LYS 102 9.692 -5.727 -8.359 792 HG2 LYS 102 2HG LYS 102 11.183 -3.170 -8.788 793 HG3 LYS 102 1HG LYS 102 11.535 -4.595 -9.764 794 HD2 LYS 102 2HD LYS 102 9.238 -4.680 -10.526 795 HD3 LYS 102 1HD LYS 102 8.808 -3.339 -9.463 796 HE2 LYS 102 2HE LYS 102 10.353 -1.887 -10.703 797 HE3 LYS 102 1HE LYS 102 10.731 -3.230 -11.782 798 HZ1 LYS 102 3HZ LYS 102 9.057 -1.687 -12.690 799 HZ2 LYS 102 1HZ LYS 102 8.017 -2.083 -11.412 800 HZ3 LYS 102 2HZ LYS 102 8.467 -3.271 -12.532 801 H LEU 103 HN LEU 103 8.805 -2.102 -7.731 802 HA LEU 103 HA LEU 103 6.051 -2.601 -7.033 803 HG LEU 103 HG LEU 103 4.942 -0.474 -9.170 804 HB2 LEU 103 2HB LEU 103 6.967 -0.341 -6.930 805 HB3 LEU 103 1HB LEU 103 7.338 -0.392 -8.641 806 HD11 LEU 103 1HD1 LEU 103 4.163 -1.624 -7.160 807 HD12 LEU 103 2HD1 LEU 103 3.278 -0.122 -7.428 808 HD13 LEU 103 3HD1 LEU 103 4.537 -0.195 -6.196 809 HD21 LEU 103 3HD2 LEU 103 4.402 1.808 -8.531 810 HD22 LEU 103 1HD2 LEU 103 6.096 1.681 -9.011 811 HD23 LEU 103 2HD2 LEU 103 5.667 1.778 -7.302 812 H ARG 104 HN ARG 104 4.912 -4.017 -8.182 813 HA ARG 104 HA ARG 104 5.467 -4.541 -10.957 814 HE ARG 104 HE ARG 104 3.967 -7.503 -11.883 815 HB2 ARG 104 2HB ARG 104 3.364 -5.525 -9.038 816 HB3 ARG 104 1HB ARG 104 3.339 -5.956 -10.742 817 HG2 ARG 104 2HG ARG 104 5.597 -6.532 -8.834 818 HG3 ARG 104 1HG ARG 104 4.371 -7.690 -9.352 819 HD2 ARG 104 2HD ARG 104 6.408 -6.308 -11.095 820 HD3 ARG 104 1HD ARG 104 6.388 -8.012 -10.643 821 HH11 ARG 104 1HH1 ARG 104 7.370 -7.501 -12.716 822 HH12 ARG 104 2HH1 ARG 104 7.089 -7.772 -14.412 823 HH21 ARG 104 1HH2 ARG 104 3.596 -7.847 -14.121 824 HH22 ARG 104 2HH2 ARG 104 4.944 -7.918 -15.216 825 H GLY 105 HN GLY 105 3.010 -2.813 -9.113 826 HA2 GLY 105 2HA GLY 105 2.491 -0.906 -11.037 827 HA3 GLY 105 1HA GLY 105 1.357 -2.212 -11.350 828 H ALA 106 HN ALA 106 -0.044 -0.242 -10.862 829 HA ALA 106 HA ALA 106 -0.613 -0.174 -7.972 830 HB1 ALA 106 1HB ALA 106 -1.536 2.060 -8.290 831 HB2 ALA 106 2HB ALA 106 -1.148 1.989 -10.009 832 HB3 ALA 106 3HB ALA 106 0.148 2.000 -8.813 833 H LEU 107 HN LEU 107 -2.975 0.319 -7.526 834 HA LEU 107 HA LEU 107 -4.684 -0.952 -9.553 835 HG LEU 107 HG LEU 107 -5.922 -3.681 -7.389 836 HB2 LEU 107 2HB LEU 107 -3.879 -2.397 -7.500 837 HB3 LEU 107 1HB LEU 107 -5.114 -1.504 -6.641 838 HD11 LEU 107 1HD1 LEU 107 -7.239 -1.396 -8.844 839 HD12 LEU 107 2HD1 LEU 107 -7.531 -1.872 -7.171 840 HD13 LEU 107 3HD1 LEU 107 -7.974 -2.959 -8.487 841 HD21 LEU 107 3HD2 LEU 107 -6.265 -4.108 -9.789 842 HD22 LEU 107 1HD2 LEU 107 -4.559 -3.980 -9.360 843 HD23 LEU 107 2HD2 LEU 107 -5.370 -2.635 -10.162 844 H SER 108 HN SER 108 -5.756 0.838 -10.169 845 HA SER 108 HA SER 108 -6.960 2.582 -8.174 846 HG SER 108 HG SER 108 -7.950 4.448 -9.157 847 HB2 SER 108 2HB SER 108 -5.979 3.558 -10.236 848 HB3 SER 108 1HB SER 108 -7.145 2.655 -11.201 849 H GLY 109 HN GLY 109 -9.248 2.937 -8.075 850 HA2 GLY 109 2HA GLY 109 -10.759 0.501 -8.494 851 HA3 GLY 109 1HA GLY 109 -11.329 1.962 -7.700 852 H ILE 110 HN ILE 110 -10.588 0.561 -10.865 853 HA ILE 110 HA ILE 110 -11.896 2.535 -12.410 854 HB ILE 110 HB ILE 110 -11.740 -0.392 -13.161 855 HG12 ILE 110 2HG1 ILE 110 -9.642 0.660 -14.473 856 HG13 ILE 110 1HG1 ILE 110 -9.604 1.669 -13.032 857 HG21 ILE 110 1HG2 ILE 110 -11.691 0.488 -15.457 858 HG22 ILE 110 2HG2 ILE 110 -11.855 2.124 -14.820 859 HG23 ILE 110 3HG2 ILE 110 -13.158 0.957 -14.596 860 HD11 ILE 110 3HD1 ILE 110 -9.458 -0.325 -11.636 861 HD12 ILE 110 1HD1 ILE 110 -8.140 -0.253 -12.806 862 HD13 ILE 110 2HD1 ILE 110 -9.503 -1.339 -13.079 863 H HIS 111 HN HIS 111 -12.966 -0.556 -11.095 864 HA HIS 111 HA HIS 111 -15.688 0.483 -10.877 865 HD1 HIS 111 1HD HIS 111 -17.808 0.002 -13.200 866 HD2 HIS 111 2HD HIS 111 -14.044 -1.220 -14.480 867 HE1 HIS 111 1HE HIS 111 -17.645 0.712 -15.604 868 HE2 HIS 111 2HE HIS 111 -15.463 -0.251 -16.416 869 HB2 HIS 111 2HB HIS 111 -15.017 -2.228 -12.070 870 HB3 HIS 111 1HB HIS 111 -16.632 -1.701 -11.620 871 HA PRO 112 HA PRO 112 -15.294 -1.301 -6.836 872 HB2 PRO 112 2HB PRO 112 -18.139 -2.086 -7.001 873 HB3 PRO 112 1HB PRO 112 -17.335 -1.014 -5.850 874 HG2 PRO 112 2HG PRO 112 -18.955 -0.045 -7.743 875 HG3 PRO 112 1HG PRO 112 -17.487 0.823 -7.254 876 HD2 PRO 112 2HD PRO 112 -17.967 -0.876 -9.676 877 HD3 PRO 112 1HD PRO 112 -17.096 0.666 -9.536 878 H TRP 113 HN TRP 113 -14.061 -3.085 -7.023 879 HA TRP 113 HA TRP 113 -13.453 -5.264 -7.126 880 HD1 TRP 113 1HD TRP 113 -15.925 -8.632 -7.219 881 HE1 TRP 113 1HE TRP 113 -14.463 -10.411 -6.054 882 HE3 TRP 113 3HE TRP 113 -13.109 -5.548 -4.274 883 HZ2 TRP 113 2HZ TRP 113 -12.383 -10.478 -4.140 884 HZ3 TRP 113 3HZ TRP 113 -11.406 -6.547 -2.806 885 HH2 TRP 113 2HH TRP 113 -11.055 -8.960 -2.741 886 HB2 TRP 113 2HB TRP 113 -15.506 -5.321 -5.522 887 HB3 TRP 113 1HB TRP 113 -16.335 -6.087 -6.871 888 H ALA 114 HN ALA 114 -14.531 -7.523 -8.237 889 HA ALA 114 HA ALA 114 -14.910 -8.664 -10.146 890 HB1 ALA 114 1HB ALA 114 -16.161 -6.106 -11.136 891 HB2 ALA 114 2HB ALA 114 -16.993 -7.425 -10.311 892 HB3 ALA 114 3HB ALA 114 -16.296 -7.686 -11.910 893 H GLU 115 HN GLU 115 -14.246 -5.432 -11.464 894 HA GLU 115 HA GLU 115 -12.602 -6.396 -13.555 895 HB2 GLU 115 2HB GLU 115 -12.629 -3.614 -12.373 896 HB3 GLU 115 1HB GLU 115 -12.062 -4.067 -13.974 897 HG2 GLU 115 2HG GLU 115 -14.900 -4.310 -13.011 898 HG3 GLU 115 1HG GLU 115 -14.269 -2.995 -13.996 899 H LEU 116 HN LEU 116 -11.991 -5.437 -10.294 900 HA LEU 116 HA LEU 116 -9.272 -4.865 -10.319 901 HG LEU 116 HG LEU 116 -8.440 -4.372 -8.019 902 HB2 LEU 116 2HB LEU 116 -10.954 -4.635 -8.423 903 HB3 LEU 116 1HB LEU 116 -10.724 -6.342 -8.124 904 HD11 LEU 116 1HD1 LEU 116 -10.153 -3.665 -6.433 905 HD12 LEU 116 2HD1 LEU 116 -8.759 -4.341 -5.591 906 HD13 LEU 116 3HD1 LEU 116 -10.230 -5.297 -5.771 907 HD21 LEU 116 3HD2 LEU 116 -7.381 -6.091 -6.658 908 HD22 LEU 116 1HD2 LEU 116 -7.848 -6.756 -8.224 909 HD23 LEU 116 2HD2 LEU 116 -8.815 -7.109 -6.791 910 H LEU 117 HN LEU 117 -10.917 -7.990 -10.014 911 HA LEU 117 HA LEU 117 -8.685 -9.547 -9.380 912 HG LEU 117 HG LEU 117 -11.745 -11.549 -8.729 913 HB2 LEU 117 2HB LEU 117 -11.247 -10.255 -10.802 914 HB3 LEU 117 1HB LEU 117 -10.039 -11.447 -10.373 915 HD11 LEU 117 1HD1 LEU 117 -9.498 -11.761 -7.851 916 HD12 LEU 117 2HD1 LEU 117 -10.549 -10.976 -6.674 917 HD13 LEU 117 3HD1 LEU 117 -9.406 -10.016 -7.612 918 HD21 LEU 117 3HD2 LEU 117 -12.487 -9.642 -7.415 919 HD22 LEU 117 1HD2 LEU 117 -12.777 -9.374 -9.134 920 HD23 LEU 117 2HD2 LEU 117 -11.420 -8.578 -8.333 921 H THR 118 HN THR 118 -10.130 -8.769 -12.513 922 HA THR 118 HA THR 118 -8.328 -10.338 -14.034 923 HB THR 118 HB THR 118 -9.796 -7.942 -15.109 924 HG1 THR 118 1HG THR 118 -11.447 -9.893 -15.366 925 HG21 THR 118 3HG2 THR 118 -9.229 -10.688 -16.238 926 HG22 THR 118 1HG2 THR 118 -8.351 -9.211 -16.639 927 HG23 THR 118 2HG2 THR 118 -10.052 -9.373 -17.077 928 H LEU 119 HN LEU 119 -8.379 -6.935 -13.057 929 HA LEU 119 HA LEU 119 -6.261 -6.119 -14.783 930 HG LEU 119 HG LEU 119 -6.936 -2.667 -13.675 931 HB2 LEU 119 2HB LEU 119 -8.110 -4.730 -13.585 932 HB3 LEU 119 1HB LEU 119 -6.998 -4.712 -12.237 933 HD11 LEU 119 1HD1 LEU 119 -4.372 -4.239 -13.508 934 HD12 LEU 119 2HD1 LEU 119 -5.048 -3.204 -12.251 935 HD13 LEU 119 3HD1 LEU 119 -4.498 -2.501 -13.771 936 HD21 LEU 119 3HD2 LEU 119 -5.776 -2.801 -15.826 937 HD22 LEU 119 1HD2 LEU 119 -7.284 -3.716 -15.831 938 HD23 LEU 119 2HD2 LEU 119 -5.741 -4.558 -15.693 939 H MET 120 HN MET 120 -6.417 -6.804 -11.285 940 HA MET 120 HA MET 120 -3.629 -6.369 -10.877 941 HB2 MET 120 2HB MET 120 -5.309 -6.167 -9.071 942 HB3 MET 120 1HB MET 120 -5.572 -7.905 -9.143 943 HG2 MET 120 2HG MET 120 -3.321 -8.329 -8.422 944 HG3 MET 120 1HG MET 120 -2.933 -6.613 -8.497 945 HE1 MET 120 3HE MET 120 -2.352 -8.457 -5.965 946 HE2 MET 120 1HE MET 120 -2.873 -7.405 -4.648 947 HE3 MET 120 2HE MET 120 -1.963 -6.734 -6.002 948 H ARG 121 HN ARG 121 -5.485 -9.050 -11.959 949 HA ARG 121 HA ARG 121 -3.904 -11.233 -11.296 950 HE ARG 121 HE ARG 121 -6.053 -15.287 -12.850 951 HB2 ARG 121 2HB ARG 121 -6.176 -11.025 -12.601 952 HB3 ARG 121 1HB ARG 121 -5.139 -11.026 -14.019 953 HG2 ARG 121 2HG ARG 121 -4.193 -13.185 -13.266 954 HG3 ARG 121 1HG ARG 121 -5.352 -13.185 -11.935 955 HD2 ARG 121 2HD ARG 121 -7.176 -12.982 -13.642 956 HD3 ARG 121 1HD ARG 121 -5.956 -13.239 -14.886 957 HH11 ARG 121 1HH1 ARG 121 -7.252 -14.227 -15.977 958 HH12 ARG 121 2HH1 ARG 121 -7.770 -15.824 -16.446 959 HH21 ARG 121 1HH2 ARG 121 -6.729 -17.369 -13.484 960 HH22 ARG 121 2HH2 ARG 121 -7.459 -17.602 -15.040 961 H SER 122 HN SER 122 -3.635 -9.013 -14.045 962 HA SER 122 HA SER 122 -1.357 -10.342 -15.154 963 HG SER 122 HG SER 122 -0.194 -8.414 -16.433 964 HB2 SER 122 2HB SER 122 -2.911 -9.050 -16.565 965 HB3 SER 122 1HB SER 122 -2.450 -7.574 -15.716 966 H ILE 123 HN ILE 123 -1.880 -7.764 -12.876 967 HA ILE 123 HA ILE 123 0.660 -6.555 -12.962 968 HB ILE 123 HB ILE 123 -1.276 -6.766 -10.650 969 HG12 ILE 123 2HG1 ILE 123 -2.228 -5.658 -12.620 970 HG13 ILE 123 1HG1 ILE 123 -1.969 -4.507 -11.315 971 HG21 ILE 123 1HG2 ILE 123 0.960 -6.233 -9.857 972 HG22 ILE 123 2HG2 ILE 123 -0.105 -4.836 -9.708 973 HG23 ILE 123 3HG2 ILE 123 1.073 -4.910 -11.019 974 HD11 ILE 123 3HD1 ILE 123 -0.202 -4.874 -13.722 975 HD12 ILE 123 1HD1 ILE 123 0.070 -3.725 -12.412 976 HD13 ILE 123 2HD1 ILE 123 -1.344 -3.558 -13.454 977 H VAL 124 HN VAL 124 -0.621 -9.166 -10.915 978 HA VAL 124 HA VAL 124 2.030 -9.547 -9.730 979 HB VAL 124 HB VAL 124 0.917 -11.083 -8.166 980 HG11 VAL 124 1HG1 VAL 124 -0.453 -8.413 -8.440 981 HG12 VAL 124 2HG1 VAL 124 1.070 -8.725 -7.607 982 HG13 VAL 124 3HG1 VAL 124 -0.432 -9.412 -6.986 983 HG21 VAL 124 3HG2 VAL 124 -1.522 -11.297 -8.156 984 HG22 VAL 124 1HG2 VAL 124 -0.826 -11.938 -9.645 985 HG23 VAL 124 2HG2 VAL 124 -1.611 -10.359 -9.647 986 H ASP 125 HN ASP 125 0.988 -10.427 -12.519 987 HA ASP 125 HA ASP 125 0.767 -13.210 -12.602 988 HB2 ASP 125 2HB ASP 125 0.179 -11.682 -14.472 989 HB3 ASP 125 1HB ASP 125 1.898 -11.423 -14.762 990 H THR 126 HN THR 126 3.624 -11.362 -13.663 991 HA THR 126 HA THR 126 5.851 -11.695 -13.375 992 HB THR 126 HB THR 126 5.046 -13.747 -11.303 993 HG1 THR 126 1HG THR 126 4.359 -11.890 -10.454 994 HG21 THR 126 3HG2 THR 126 7.301 -13.440 -10.412 995 HG22 THR 126 1HG2 THR 126 7.676 -12.324 -11.726 996 HG23 THR 126 2HG2 THR 126 7.363 -14.023 -12.076 997 HA PRO 127 HA PRO 127 6.241 -15.153 -16.249 998 HB2 PRO 127 2HB PRO 127 8.598 -14.339 -17.301 999 HB3 PRO 127 1HB PRO 127 7.047 -13.639 -17.782 1000 HG2 PRO 127 2HG PRO 127 9.088 -12.582 -15.860 1001 HG3 PRO 127 1HG PRO 127 8.165 -11.716 -17.103 1002 HD2 PRO 127 2HD PRO 127 7.493 -11.678 -14.471 1003 HD3 PRO 127 1HD PRO 127 6.292 -11.548 -15.773 1004 H ALA 128 HN ALA 128 8.324 -16.569 -16.752 1005 HA ALA 128 HA ALA 128 9.082 -17.607 -14.167 1006 HB1 ALA 128 1HB ALA 128 9.752 -18.632 -16.922 1007 HB2 ALA 128 2HB ALA 128 8.387 -19.146 -15.930 1008 HB3 ALA 128 3HB ALA 128 10.038 -19.483 -15.404 1009 H ALA 129 HN ALA 129 10.267 -15.424 -13.896 1010 HA ALA 129 HA ALA 129 13.004 -15.526 -14.909 1011 HB1 ALA 129 1HB ALA 129 13.302 -13.406 -13.723 1012 HB2 ALA 129 2HB ALA 129 11.688 -13.558 -13.031 1013 HB3 ALA 129 3HB ALA 129 11.885 -13.352 -14.771 1014 H GLN 130 HN GLN 130 11.140 -16.264 -12.098 1015 HA GLN 130 HA GLN 130 13.575 -17.050 -10.648 1016 HB2 GLN 130 2HB GLN 130 12.174 -15.423 -9.460 1017 HB3 GLN 130 1HB GLN 130 10.786 -16.493 -9.610 1018 HG2 GLN 130 2HG GLN 130 11.912 -18.147 -8.210 1019 HG3 GLN 130 1HG GLN 130 13.301 -17.072 -8.060 1020 HE21 GLN 130 1HE2 GLN 130 11.503 -18.167 -6.018 1021 HE22 GLN 130 2HE2 GLN 130 10.856 -16.798 -5.172 1022 H GLU 131 HN GLU 131 10.706 -18.117 -12.170 1023 HA GLU 131 HA GLU 131 9.694 -20.098 -12.514 1024 HB2 GLU 131 2HB GLU 131 11.933 -20.774 -13.290 1025 HB3 GLU 131 1HB GLU 131 12.342 -21.279 -11.656 1026 HG2 GLU 131 2HG GLU 131 10.744 -23.037 -11.712 1027 HG3 GLU 131 1HG GLU 131 10.051 -22.438 -13.218 1028 H THR 132 HN THR 132 8.171 -19.847 -10.927 1029 HA THR 132 HA THR 132 8.751 -20.912 -8.276 1030 HB THR 132 HB THR 132 7.564 -18.820 -8.256 1031 HG1 THR 132 1HG THR 132 6.890 -20.235 -6.639 1032 HG21 THR 132 3HG2 THR 132 5.449 -20.169 -9.937 1033 HG22 THR 132 1HG2 THR 132 6.541 -18.889 -10.466 1034 HG23 THR 132 2HG2 THR 132 5.322 -18.558 -9.232 1035 H VAL 133 HN VAL 133 8.426 -22.968 -7.851 1036 HA VAL 133 HA VAL 133 6.256 -24.364 -9.256 1037 HB VAL 133 HB VAL 133 8.273 -25.096 -10.330 1038 HG11 VAL 133 1HG1 VAL 133 10.135 -26.130 -9.119 1039 HG12 VAL 133 2HG1 VAL 133 9.343 -25.751 -7.590 1040 HG13 VAL 133 3HG1 VAL 133 9.894 -24.448 -8.643 1041 HG21 VAL 133 3HG2 VAL 133 6.610 -26.820 -9.944 1042 HG22 VAL 133 1HG2 VAL 133 7.323 -27.186 -8.374 1043 HG23 VAL 133 2HG2 VAL 133 8.232 -27.507 -9.851 1044 H GLN 134 HN GLN 134 4.818 -25.098 -7.913 1045 HA GLN 134 HA GLN 134 3.759 -25.907 -6.091 1046 HB2 GLN 134 2HB GLN 134 5.318 -27.787 -6.280 1047 HB3 GLN 134 1HB GLN 134 6.498 -26.921 -5.306 1048 HG2 GLN 134 2HG GLN 134 5.293 -28.639 -4.034 1049 HG3 GLN 134 1HG GLN 134 5.052 -27.018 -3.384 1050 HE21 GLN 134 1HE2 GLN 134 3.585 -29.679 -5.059 1051 HE22 GLN 134 2HE2 GLN 134 1.943 -29.159 -4.879 1052 H LEU 135 HN LEU 135 3.286 -23.779 -5.448 1053 HA LEU 135 HA LEU 135 4.625 -23.026 -2.943 1054 HG LEU 135 HG LEU 135 4.010 -20.065 -2.789 1055 HB2 LEU 135 2HB LEU 135 5.437 -21.664 -4.920 1056 HB3 LEU 135 1HB LEU 135 3.811 -21.030 -5.055 1057 HD11 LEU 135 1HD1 LEU 135 5.623 -21.652 -1.868 1058 HD12 LEU 135 2HD1 LEU 135 6.180 -19.989 -1.688 1059 HD13 LEU 135 3HD1 LEU 135 6.866 -21.016 -2.946 1060 HD21 LEU 135 3HD2 LEU 135 6.221 -19.277 -4.682 1061 HD22 LEU 135 1HD2 LEU 135 5.567 -18.282 -3.380 1062 HD23 LEU 135 2HD2 LEU 135 4.549 -18.718 -4.752 1063 H GLU 136 HN GLU 136 2.042 -24.307 -3.898 1064 HA GLU 136 HA GLU 136 -0.064 -22.458 -3.378 1065 HB2 GLU 136 2HB GLU 136 -0.136 -25.480 -3.360 1066 HB3 GLU 136 1HB GLU 136 -1.528 -24.412 -3.440 1067 HG2 GLU 136 2HG GLU 136 -0.845 -23.622 -5.616 1068 HG3 GLU 136 1HG GLU 136 0.624 -24.595 -5.534 1069 H HIS 137 HN HIS 137 -0.108 -21.555 -1.373 1070 HA HIS 137 HA HIS 137 0.128 -23.293 0.962 1071 HD1 HIS 137 1HD HIS 137 1.699 -18.823 1.109 1072 HD2 HIS 137 2HD HIS 137 2.588 -22.885 0.922 1073 HE1 HIS 137 1HE HIS 137 4.198 -18.961 0.840 1074 HE2 HIS 137 2HE HIS 137 4.733 -21.426 0.830 1075 HB2 HIS 137 2HB HIS 137 -0.356 -20.303 0.822 1076 HB3 HIS 137 1HB HIS 137 -0.056 -21.227 2.289 1077 H HIS 138 HN HIS 138 -1.687 -24.548 0.890 1078 HA HIS 138 HA HIS 138 -4.279 -23.425 0.353 1079 HD1 HIS 138 1HD HIS 138 -6.222 -24.939 -1.009 1080 HD2 HIS 138 2HD HIS 138 -5.768 -27.133 2.495 1081 HE1 HIS 138 1HE HIS 138 -8.509 -25.832 -0.465 1082 HE2 HIS 138 2HE HIS 138 -8.160 -27.337 1.527 1083 HB2 HIS 138 2HB HIS 138 -3.697 -25.715 -0.351 1084 HB3 HIS 138 1HB HIS 138 -3.498 -26.184 1.333 1085 H HIS 139 HN HIS 139 -5.576 -22.496 1.775 1086 HA HIS 139 HA HIS 139 -4.872 -22.429 4.558 1087 HD1 HIS 139 1HD HIS 139 -7.218 -20.105 1.344 1088 HD2 HIS 139 2HD HIS 139 -9.234 -22.397 4.177 1089 HE1 HIS 139 1HE HIS 139 -9.541 -20.417 0.442 1090 HE2 HIS 139 2HE HIS 139 -10.659 -21.999 2.054 1091 HB2 HIS 139 2HB HIS 139 -6.762 -20.936 4.851 1092 HB3 HIS 139 1HB HIS 139 -5.860 -20.459 3.421 1093 H HIS 140 HN HIS 140 -6.047 -23.253 6.309 1094 HA HIS 140 HA HIS 140 -7.466 -25.719 5.682 1095 HD1 HIS 140 1HD HIS 140 -6.320 -28.183 7.681 1096 HD2 HIS 140 2HD HIS 140 -8.979 -25.591 9.551 1097 HE1 HIS 140 1HE HIS 140 -7.833 -29.641 9.064 1098 HE2 HIS 140 2HE HIS 140 -9.618 -28.070 9.903 1099 HB2 HIS 140 2HB HIS 140 -5.694 -25.762 7.400 1100 HB3 HIS 140 1HB HIS 140 -6.577 -24.571 8.348 1101 H HIS 141 HN HIS 141 -7.962 -22.851 7.709 1102 HA HIS 141 HA HIS 141 -10.583 -22.301 6.985 1103 HD1 HIS 141 1HD HIS 141 -11.842 -23.117 11.244 1104 HD2 HIS 141 2HD HIS 141 -13.498 -22.544 7.463 1105 HE1 HIS 141 1HE HIS 141 -14.109 -22.093 11.636 1106 HE2 HIS 141 2HE HIS 141 -15.140 -21.866 9.352 1107 HB2 HIS 141 2HB HIS 141 -11.236 -24.446 7.971 1108 HB3 HIS 141 1HB HIS 141 -10.409 -24.038 9.469 1109 H HIS 142 HN HIS 142 -8.677 -22.649 9.936 1110 HA HIS 142 HA HIS 142 -8.086 -19.872 10.073 1111 HD1 HIS 142 1HD HIS 142 -9.784 -17.401 11.255 1112 HD2 HIS 142 2HD HIS 142 -8.306 -19.840 14.288 1113 HE1 HIS 142 1HE HIS 142 -8.976 -15.840 13.053 1114 HE2 HIS 142 2HE HIS 142 -7.933 -17.330 14.799 1115 HB2 HIS 142 2HB HIS 142 -10.413 -19.893 11.005 1116 HB3 HIS 142 1HB HIS 142 -9.867 -21.005 12.254 Start of MODEL 10 1 HA MET 1 HA MET 1 -3.046 19.381 3.008 2 H1 MET 1 1HT MET 1 -4.907 18.655 1.832 3 H2 MET 1 2HT MET 1 -3.878 19.353 0.683 4 H3 MET 1 3HT MET 1 -5.246 20.197 1.220 5 HB2 MET 1 2HB MET 1 -2.223 21.691 2.894 6 HB3 MET 1 1HB MET 1 -2.127 20.895 1.330 7 HG2 MET 1 2HG MET 1 -4.122 22.065 0.594 8 HG3 MET 1 1HG MET 1 -4.269 22.829 2.178 9 HE1 MET 1 3HE MET 1 -4.211 24.429 -0.603 10 HE2 MET 1 1HE MET 1 -3.186 25.790 -0.146 11 HE3 MET 1 2HE MET 1 -4.405 25.187 0.978 12 H ALA 2 HN ALA 2 -3.166 20.252 5.047 13 HA ALA 2 HA ALA 2 -4.988 22.174 5.961 14 HB1 ALA 2 1HB ALA 2 -6.711 20.480 5.530 15 HB2 ALA 2 2HB ALA 2 -6.531 20.765 7.261 16 HB3 ALA 2 3HB ALA 2 -5.833 19.322 6.529 17 H ASN 3 HN ASN 3 -3.793 19.016 7.033 18 HA ASN 3 HA ASN 3 -2.094 18.396 8.368 19 HB2 ASN 3 2HB ASN 3 -1.203 21.267 8.081 20 HB3 ASN 3 1HB ASN 3 -0.241 19.979 8.805 21 HD21 ASN 3 1HD2 ASN 3 0.514 18.297 7.500 22 HD22 ASN 3 2HD2 ASN 3 0.654 18.492 5.784 23 H ASP 4 HN ASP 4 -3.843 18.137 9.900 24 HA ASP 4 HA ASP 4 -3.059 19.518 12.370 25 HB2 ASP 4 2HB ASP 4 -5.289 20.386 11.563 26 HB3 ASP 4 1HB ASP 4 -5.917 18.748 11.715 27 H THR 5 HN THR 5 -4.868 16.853 10.933 28 HA THR 5 HA THR 5 -4.936 14.630 11.311 29 HB THR 5 HB THR 5 -2.192 14.949 12.540 30 HG1 THR 5 1HG THR 5 -1.859 14.307 10.068 31 HG21 THR 5 3HG2 THR 5 -1.835 12.694 11.625 32 HG22 THR 5 1HG2 THR 5 -3.498 12.668 11.041 33 HG23 THR 5 2HG2 THR 5 -3.172 12.716 12.774 34 HA PRO 6 HA PRO 6 -6.092 14.944 15.749 35 HB2 PRO 6 2HB PRO 6 -8.713 14.465 15.452 36 HB3 PRO 6 1HB PRO 6 -8.038 16.078 15.185 37 HG2 PRO 6 2HG PRO 6 -8.814 13.994 13.186 38 HG3 PRO 6 1HG PRO 6 -9.076 15.746 13.136 39 HD2 PRO 6 2HD PRO 6 -7.047 14.444 11.811 40 HD3 PRO 6 1HD PRO 6 -6.991 16.150 12.296 41 H PHE 7 HN PHE 7 -7.905 13.209 16.716 42 HA PHE 7 HA PHE 7 -6.702 10.747 16.843 43 HD1 PHE 7 1HD PHE 7 -7.302 9.342 19.145 44 HD2 PHE 7 2HD PHE 7 -10.782 9.404 16.698 45 HE1 PHE 7 1HE PHE 7 -7.774 7.006 19.761 46 HE2 PHE 7 2HE PHE 7 -11.256 7.071 17.305 47 HZ PHE 7 HZ PHE 7 -9.754 5.869 18.840 48 HB2 PHE 7 2HB PHE 7 -8.429 11.477 18.409 49 HB3 PHE 7 1HB PHE 7 -9.645 11.392 17.140 50 H SER 8 HN SER 8 -9.515 11.590 14.836 51 HA SER 8 HA SER 8 -10.242 10.863 12.824 52 HG SER 8 HG SER 8 -7.104 11.664 12.804 53 HB2 SER 8 2HB SER 8 -7.534 9.542 12.548 54 HB3 SER 8 1HB SER 8 -8.666 9.908 11.246 55 H ALA 9 HN ALA 9 -11.872 9.523 13.133 56 HA ALA 9 HA ALA 9 -11.795 7.148 14.609 57 HB1 ALA 9 1HB ALA 9 -14.051 6.760 13.775 58 HB2 ALA 9 2HB ALA 9 -13.817 8.002 12.544 59 HB3 ALA 9 3HB ALA 9 -13.827 8.442 14.251 60 H LEU 10 HN LEU 10 -11.824 7.624 11.079 61 HA LEU 10 HA LEU 10 -11.863 4.862 10.451 62 HG LEU 10 HG LEU 10 -13.331 7.390 9.315 63 HB2 LEU 10 2HB LEU 10 -10.942 7.210 8.795 64 HB3 LEU 10 1HB LEU 10 -11.188 5.588 8.180 65 HD11 LEU 10 1HD1 LEU 10 -12.758 6.500 6.492 66 HD12 LEU 10 2HD1 LEU 10 -12.535 8.125 7.141 67 HD13 LEU 10 3HD1 LEU 10 -14.156 7.442 7.010 68 HD21 LEU 10 3HD2 LEU 10 -13.786 5.034 9.778 69 HD22 LEU 10 1HD2 LEU 10 -13.541 4.644 8.076 70 HD23 LEU 10 2HD2 LEU 10 -14.895 5.666 8.562 71 H TRP 11 HN TRP 11 -9.294 7.126 11.104 72 HA TRP 11 HA TRP 11 -7.169 5.832 9.835 73 HD1 TRP 11 1HD TRP 11 -5.042 7.482 13.581 74 HE1 TRP 11 1HE TRP 11 -2.560 7.125 13.037 75 HE3 TRP 11 3HE TRP 11 -5.412 6.775 8.534 76 HZ2 TRP 11 2HZ TRP 11 -0.956 6.613 10.764 77 HZ3 TRP 11 3HZ TRP 11 -3.358 6.355 7.248 78 HH2 TRP 11 2HH TRP 11 -1.177 6.277 8.343 79 HB2 TRP 11 2HB TRP 11 -6.979 8.116 10.580 80 HB3 TRP 11 1HB TRP 11 -7.200 7.633 12.257 81 H GLN 12 HN GLN 12 -7.963 5.769 13.319 82 HA GLN 12 HA GLN 12 -6.129 3.852 14.098 83 HB2 GLN 12 2HB GLN 12 -7.511 5.163 15.663 84 HB3 GLN 12 1HB GLN 12 -8.925 4.231 15.187 85 HG2 GLN 12 2HG GLN 12 -7.787 2.185 15.998 86 HG3 GLN 12 1HG GLN 12 -6.471 3.197 16.585 87 HE21 GLN 12 1HE2 GLN 12 -6.820 4.544 18.345 88 HE22 GLN 12 2HE2 GLN 12 -8.167 4.336 19.416 89 H ARG 13 HN ARG 13 -9.381 3.389 12.772 90 HA ARG 13 HA ARG 13 -9.542 0.617 13.218 91 HE ARG 13 HE ARG 13 -12.073 -0.462 13.045 92 HB2 ARG 13 2HB ARG 13 -10.883 2.257 11.063 93 HB3 ARG 13 1HB ARG 13 -11.324 0.615 11.511 94 HG2 ARG 13 2HG ARG 13 -11.577 3.104 13.176 95 HG3 ARG 13 1HG ARG 13 -12.872 2.080 12.553 96 HD2 ARG 13 2HD ARG 13 -10.838 1.364 14.661 97 HD3 ARG 13 1HD ARG 13 -12.561 1.644 14.904 98 HH11 ARG 13 1HH1 ARG 13 -12.209 0.308 16.461 99 HH12 ARG 13 2HH1 ARG 13 -12.539 -1.330 16.940 100 HH21 ARG 13 1HH2 ARG 13 -12.483 -2.608 13.671 101 HH22 ARG 13 2HH2 ARG 13 -12.674 -3.000 15.356 102 H LEU 14 HN LEU 14 -7.984 2.462 10.716 103 HA LEU 14 HA LEU 14 -7.537 0.250 8.958 104 HG LEU 14 HG LEU 14 -8.318 3.396 8.696 105 HB2 LEU 14 2HB LEU 14 -5.992 2.839 9.174 106 HB3 LEU 14 1HB LEU 14 -5.962 1.722 7.824 107 HD11 LEU 14 1HD1 LEU 14 -7.989 4.517 6.552 108 HD12 LEU 14 2HD1 LEU 14 -6.563 3.526 6.251 109 HD13 LEU 14 3HD1 LEU 14 -6.571 4.674 7.589 110 HD21 LEU 14 3HD2 LEU 14 -8.054 1.444 6.413 111 HD22 LEU 14 1HD2 LEU 14 -9.418 2.529 6.683 112 HD23 LEU 14 2HD2 LEU 14 -9.067 1.246 7.843 113 H LEU 15 HN LEU 15 -5.636 1.912 11.438 114 HA LEU 15 HA LEU 15 -3.279 0.386 11.140 115 HG LEU 15 HG LEU 15 -4.091 3.415 11.793 116 HB2 LEU 15 2HB LEU 15 -4.311 1.793 13.603 117 HB3 LEU 15 1HB LEU 15 -2.664 1.257 13.345 118 HD11 LEU 15 1HD1 LEU 15 -1.815 3.558 13.762 119 HD12 LEU 15 2HD1 LEU 15 -3.475 4.072 14.060 120 HD13 LEU 15 3HD1 LEU 15 -2.494 4.911 12.858 121 HD21 LEU 15 3HD2 LEU 15 -2.535 2.184 10.372 122 HD22 LEU 15 1HD2 LEU 15 -1.256 2.412 11.562 123 HD23 LEU 15 2HD2 LEU 15 -1.933 3.806 10.718 124 H THR 16 HN THR 16 -6.015 0.079 13.381 125 HA THR 16 HA THR 16 -5.076 -2.103 14.862 126 HB THR 16 HB THR 16 -7.970 -1.504 14.214 127 HG1 THR 16 1HG THR 16 -6.102 -0.076 15.629 128 HG21 THR 16 3HG2 THR 16 -7.606 -3.644 15.352 129 HG22 THR 16 1HG2 THR 16 -8.407 -2.488 16.415 130 HG23 THR 16 2HG2 THR 16 -6.687 -2.823 16.614 131 H ARG 17 HN ARG 17 -6.430 -1.934 11.685 132 HA ARG 17 HA ARG 17 -7.304 -4.638 11.464 133 HE ARG 17 HE ARG 17 -8.924 -1.910 8.838 134 HB2 ARG 17 2HB ARG 17 -7.914 -2.556 10.034 135 HB3 ARG 17 1HB ARG 17 -6.443 -2.922 9.147 136 HG2 ARG 17 2HG ARG 17 -7.312 -5.097 8.536 137 HG3 ARG 17 1HG ARG 17 -8.763 -4.809 9.502 138 HD2 ARG 17 2HD ARG 17 -7.899 -3.423 6.971 139 HD3 ARG 17 1HD ARG 17 -9.383 -4.328 7.268 140 HH11 ARG 17 1HH1 ARG 17 -10.650 -3.512 6.246 141 HH12 ARG 17 2HH1 ARG 17 -11.851 -2.274 6.116 142 HH21 ARG 17 1HH2 ARG 17 -10.510 -0.280 8.674 143 HH22 ARG 17 2HH2 ARG 17 -11.784 -0.439 7.512 144 H GLY 18 HN GLY 18 -4.247 -3.220 11.593 145 HA2 GLY 18 2HA GLY 18 -2.328 -4.672 11.795 146 HA3 GLY 18 1HA GLY 18 -3.035 -5.700 10.557 147 H TRP 19 HN TRP 19 -2.993 -2.226 10.302 148 HA TRP 19 HA TRP 19 -1.188 -2.486 7.999 149 HD1 TRP 19 1HD TRP 19 -3.180 -3.842 7.743 150 HE1 TRP 19 1HE TRP 19 -5.207 -4.511 6.325 151 HE3 TRP 19 3HE TRP 19 -4.753 0.810 6.368 152 HZ2 TRP 19 2HZ TRP 19 -7.217 -3.230 4.808 153 HZ3 TRP 19 3HZ TRP 19 -6.735 1.004 4.929 154 HH2 TRP 19 2HH TRP 19 -7.938 -0.971 4.163 155 HB2 TRP 19 2HB TRP 19 -3.233 -0.341 8.619 156 HB3 TRP 19 1HB TRP 19 -2.213 -0.393 7.186 157 H GLN 20 HN GLN 20 0.544 -1.121 7.751 158 HA GLN 20 HA GLN 20 1.358 0.347 10.150 159 HB2 GLN 20 2HB GLN 20 2.868 -1.030 7.948 160 HB3 GLN 20 1HB GLN 20 3.642 0.141 8.990 161 HG2 GLN 20 2HG GLN 20 3.098 -1.226 10.942 162 HG3 GLN 20 1HG GLN 20 2.312 -2.401 9.888 163 HE21 GLN 20 1HE2 GLN 20 5.351 -1.014 10.873 164 HE22 GLN 20 2HE2 GLN 20 6.351 -2.270 10.230 165 HA PRO 21 HA PRO 21 1.115 4.056 7.637 166 HB2 PRO 21 2HB PRO 21 2.143 5.770 9.457 167 HB3 PRO 21 1HB PRO 21 0.494 5.147 9.570 168 HG2 PRO 21 2HG PRO 21 2.945 4.301 11.050 169 HG3 PRO 21 1HG PRO 21 1.281 4.468 11.636 170 HD2 PRO 21 2HD PRO 21 2.440 2.072 10.959 171 HD3 PRO 21 1HD PRO 21 0.693 2.379 10.919 172 H VAL 22 HN VAL 22 2.544 4.525 6.067 173 HA VAL 22 HA VAL 22 5.406 4.257 6.708 174 HB VAL 22 HB VAL 22 5.761 3.900 4.265 175 HG11 VAL 22 1HG1 VAL 22 5.036 1.580 4.276 176 HG12 VAL 22 2HG1 VAL 22 3.934 1.916 5.613 177 HG13 VAL 22 3HG1 VAL 22 5.677 2.040 5.853 178 HG21 VAL 22 3HG2 VAL 22 2.751 3.702 4.213 179 HG22 VAL 22 1HG2 VAL 22 3.828 3.233 2.898 180 HG23 VAL 22 2HG2 VAL 22 3.738 4.920 3.404 181 H GLU 23 HN GLU 23 6.885 5.633 5.574 182 HA GLU 23 HA GLU 23 5.761 8.308 5.060 183 HB2 GLU 23 2HB GLU 23 8.519 7.596 6.077 184 HB3 GLU 23 1HB GLU 23 7.864 9.216 5.885 185 HG2 GLU 23 2HG GLU 23 6.272 8.847 7.633 186 HG3 GLU 23 1HG GLU 23 6.731 7.148 7.751 187 H ALA 24 HN ALA 24 7.319 9.652 3.635 188 HA ALA 24 HA ALA 24 7.511 8.311 1.141 189 HB1 ALA 24 1HB ALA 24 7.063 10.706 1.315 190 HB2 ALA 24 2HB ALA 24 8.477 10.391 0.309 191 HB3 ALA 24 3HB ALA 24 8.682 10.966 1.963 192 H SER 25 HN SER 25 9.860 9.134 3.622 193 HA SER 25 HA SER 25 12.019 8.007 2.004 194 HG SER 25 HG SER 25 11.605 10.822 4.572 195 HB2 SER 25 2HB SER 25 13.423 8.949 3.939 196 HB3 SER 25 1HB SER 25 12.615 10.111 2.882 197 H THR 26 HN THR 26 9.784 6.779 3.974 198 HA THR 26 HA THR 26 11.665 4.920 5.276 199 HB THR 26 HB THR 26 8.850 5.491 6.226 200 HG1 THR 26 1HG THR 26 9.839 6.893 7.758 201 HG21 THR 26 3HG2 THR 26 11.246 4.250 7.589 202 HG22 THR 26 1HG2 THR 26 9.834 3.378 6.993 203 HG23 THR 26 2HG2 THR 26 9.668 4.518 8.328 204 H VAL 27 HN VAL 27 9.062 5.256 3.064 205 HA VAL 27 HA VAL 27 7.829 2.751 3.309 206 HB VAL 27 HB VAL 27 6.814 4.603 2.076 207 HG11 VAL 27 1HG1 VAL 27 8.899 4.070 -0.037 208 HG12 VAL 27 2HG1 VAL 27 8.796 5.503 0.986 209 HG13 VAL 27 3HG1 VAL 27 7.526 5.166 -0.189 210 HG21 VAL 27 3HG2 VAL 27 6.007 2.360 1.646 211 HG22 VAL 27 1HG2 VAL 27 7.236 2.129 0.402 212 HG23 VAL 27 2HG2 VAL 27 5.953 3.316 0.165 213 H ASP 28 HN ASP 28 10.695 3.748 1.507 214 HA ASP 28 HA ASP 28 10.923 1.406 -0.067 215 HB2 ASP 28 2HB ASP 28 13.218 2.141 -0.511 216 HB3 ASP 28 1HB ASP 28 12.094 3.489 -0.645 217 H ASP 29 HN ASP 29 11.869 2.215 3.170 218 HA ASP 29 HA ASP 29 13.601 -0.032 3.570 219 HB2 ASP 29 2HB ASP 29 13.746 2.050 4.921 220 HB3 ASP 29 1HB ASP 29 12.174 1.683 5.621 221 H TRP 30 HN TRP 30 10.220 0.714 4.173 222 HA TRP 30 HA TRP 30 9.540 -1.652 5.558 223 HD1 TRP 30 1HD TRP 30 7.143 -1.230 7.388 224 HE1 TRP 30 1HE TRP 30 5.007 -2.668 7.380 225 HE3 TRP 30 3HE TRP 30 6.238 -1.293 2.355 226 HZ2 TRP 30 2HZ TRP 30 3.184 -3.692 5.481 227 HZ3 TRP 30 3HZ TRP 30 4.282 -2.529 1.527 228 HH2 TRP 30 2HH TRP 30 2.786 -3.705 3.057 229 HB2 TRP 30 2HB TRP 30 8.162 0.432 5.502 230 HB3 TRP 30 1HB TRP 30 7.755 0.077 3.827 231 H ILE 31 HN ILE 31 9.394 -0.757 2.129 232 HA ILE 31 HA ILE 31 8.279 -3.081 1.080 233 HB ILE 31 HB ILE 31 10.404 -1.308 -0.147 234 HG12 ILE 31 2HG1 ILE 31 7.424 -1.298 -0.639 235 HG13 ILE 31 1HG1 ILE 31 8.198 -0.261 0.555 236 HG21 ILE 31 1HG2 ILE 31 9.666 -2.195 -2.303 237 HG22 ILE 31 2HG2 ILE 31 8.557 -3.291 -1.477 238 HG23 ILE 31 3HG2 ILE 31 10.298 -3.476 -1.268 239 HD11 ILE 31 3HD1 ILE 31 8.725 -0.262 -2.405 240 HD12 ILE 31 1HD1 ILE 31 9.539 0.759 -1.219 241 HD13 ILE 31 2HD1 ILE 31 7.807 0.943 -1.501 242 H LYS 32 HN LYS 32 11.679 -2.309 1.697 243 HA LYS 32 HA LYS 32 12.772 -4.748 0.807 244 HB2 LYS 32 2HB LYS 32 14.241 -2.920 1.007 245 HB3 LYS 32 1HB LYS 32 13.715 -2.561 2.637 246 HG2 LYS 32 2HG LYS 32 15.045 -5.170 2.213 247 HG3 LYS 32 1HG LYS 32 16.043 -3.725 2.078 248 HD2 LYS 32 2HD LYS 32 14.338 -4.500 4.436 249 HD3 LYS 32 1HD LYS 32 16.096 -4.582 4.352 250 HE2 LYS 32 2HE LYS 32 16.189 -2.147 4.066 251 HE3 LYS 32 1HE LYS 32 14.434 -2.067 4.158 252 HZ1 LYS 32 3HZ LYS 32 16.346 -2.748 6.307 253 HZ2 LYS 32 1HZ LYS 32 14.699 -3.140 6.426 254 HZ3 LYS 32 2HZ LYS 32 15.181 -1.519 6.279 255 H ARG 33 HN ARG 33 11.202 -3.843 3.750 256 HA ARG 33 HA ARG 33 12.294 -5.960 5.351 257 HE ARG 33 HE ARG 33 9.249 -7.021 6.849 258 HB2 ARG 33 2HB ARG 33 11.404 -3.674 6.125 259 HB3 ARG 33 1HB ARG 33 9.806 -4.379 5.952 260 HG2 ARG 33 2HG ARG 33 11.463 -6.143 7.469 261 HG3 ARG 33 1HG ARG 33 11.527 -4.522 8.161 262 HD2 ARG 33 2HD ARG 33 9.712 -5.486 9.237 263 HD3 ARG 33 1HD ARG 33 8.965 -4.562 7.940 264 HH11 ARG 33 1HH1 ARG 33 7.864 -5.864 9.850 265 HH12 ARG 33 2HH1 ARG 33 6.708 -7.165 9.969 266 HH21 ARG 33 1HH2 ARG 33 7.715 -8.735 6.993 267 HH22 ARG 33 2HH2 ARG 33 6.616 -8.778 8.346 268 H VAL 34 HN VAL 34 9.231 -5.315 3.711 269 HA VAL 34 HA VAL 34 8.139 -7.843 4.606 270 HB VAL 34 HB VAL 34 6.098 -7.198 3.378 271 HG11 VAL 34 1HG1 VAL 34 7.226 -5.103 5.223 272 HG12 VAL 34 2HG1 VAL 34 6.358 -6.564 5.694 273 HG13 VAL 34 3HG1 VAL 34 5.521 -5.286 4.813 274 HG21 VAL 34 3HG2 VAL 34 7.110 -5.914 1.567 275 HG22 VAL 34 1HG2 VAL 34 7.622 -4.680 2.718 276 HG23 VAL 34 2HG2 VAL 34 5.904 -4.953 2.424 277 H GLY 35 HN GLY 35 9.205 -6.450 1.514 278 HA2 GLY 35 2HA GLY 35 9.997 -7.644 -0.326 279 HA3 GLY 35 1HA GLY 35 9.436 -9.134 0.419 280 H ASP 36 HN ASP 36 6.875 -8.820 0.841 281 HA ASP 36 HA ASP 36 5.680 -8.061 -1.733 282 HB2 ASP 36 2HB ASP 36 4.782 -10.370 0.005 283 HB3 ASP 36 1HB ASP 36 4.238 -9.974 -1.612 284 H GLY 37 HN GLY 37 3.716 -6.973 -1.603 285 HA2 GLY 37 2HA GLY 37 1.878 -6.938 0.417 286 HA3 GLY 37 1HA GLY 37 3.096 -5.790 0.948 287 H VAL 38 HN VAL 38 0.888 -4.579 0.751 288 HA VAL 38 HA VAL 38 0.941 -3.216 -1.848 289 HB VAL 38 HB VAL 38 -1.542 -2.913 -1.694 290 HG11 VAL 38 1HG1 VAL 38 -2.094 -5.147 -2.542 291 HG12 VAL 38 2HG1 VAL 38 -0.554 -5.753 -1.934 292 HG13 VAL 38 3HG1 VAL 38 -0.580 -4.546 -3.220 293 HG21 VAL 38 3HG2 VAL 38 -2.823 -4.473 -0.311 294 HG22 VAL 38 1HG2 VAL 38 -1.830 -3.401 0.678 295 HG23 VAL 38 2HG2 VAL 38 -1.326 -5.069 0.404 296 H ILE 39 HN ILE 39 0.748 -1.043 -1.795 297 HA ILE 39 HA ILE 39 0.552 0.194 0.870 298 HB ILE 39 HB ILE 39 1.976 1.151 -1.619 299 HG12 ILE 39 2HG1 ILE 39 3.896 1.297 0.095 300 HG13 ILE 39 1HG1 ILE 39 2.880 0.300 1.127 301 HG21 ILE 39 1HG2 ILE 39 2.573 3.175 -0.390 302 HG22 ILE 39 2HG2 ILE 39 1.556 2.660 0.956 303 HG23 ILE 39 3HG2 ILE 39 0.828 3.045 -0.603 304 HD11 ILE 39 3HD1 ILE 39 4.505 -1.041 -0.062 305 HD12 ILE 39 1HD1 ILE 39 3.898 -0.443 -1.605 306 HD13 ILE 39 2HD1 ILE 39 2.869 -1.444 -0.580 307 H LEU 40 HN LEU 40 -1.182 1.379 1.278 308 HA LEU 40 HA LEU 40 -2.905 2.190 -0.954 309 HG LEU 40 HG LEU 40 -3.425 -0.218 1.033 310 HB2 LEU 40 2HB LEU 40 -3.473 2.027 2.011 311 HB3 LEU 40 1HB LEU 40 -4.627 2.543 0.798 312 HD11 LEU 40 1HD1 LEU 40 -5.056 0.291 2.774 313 HD12 LEU 40 2HD1 LEU 40 -5.681 -0.896 1.631 314 HD13 LEU 40 3HD1 LEU 40 -6.219 0.782 1.542 315 HD21 LEU 40 3HD2 LEU 40 -5.500 0.849 -0.876 316 HD22 LEU 40 1HD2 LEU 40 -4.987 -0.833 -0.735 317 HD23 LEU 40 2HD2 LEU 40 -3.849 0.393 -1.296 318 H LEU 41 HN LEU 41 -2.785 4.234 -1.610 319 HA LEU 41 HA LEU 41 -1.621 6.306 0.006 320 HG LEU 41 HG LEU 41 -1.120 5.214 -2.927 321 HB2 LEU 41 2HB LEU 41 -3.189 6.514 -2.573 322 HB3 LEU 41 1HB LEU 41 -2.248 7.799 -1.843 323 HD11 LEU 41 1HD1 LEU 41 -1.052 8.019 -4.029 324 HD12 LEU 41 2HD1 LEU 41 -1.948 6.654 -4.698 325 HD13 LEU 41 3HD1 LEU 41 -0.184 6.633 -4.690 326 HD21 LEU 41 3HD2 LEU 41 0.196 6.090 -1.071 327 HD22 LEU 41 1HD2 LEU 41 0.253 7.674 -1.843 328 HD23 LEU 41 2HD2 LEU 41 1.055 6.295 -2.597 329 H SER 42 HN SER 42 -2.797 8.269 0.636 330 HA SER 42 HA SER 42 -5.070 7.827 2.143 331 HG SER 42 HG SER 42 -5.343 9.979 3.477 332 HB2 SER 42 2HB SER 42 -3.510 9.822 2.262 333 HB3 SER 42 1HB SER 42 -4.365 10.480 0.870 334 H SER 43 HN SER 43 -7.015 7.218 1.494 335 HA SER 43 HA SER 43 -7.854 7.583 -1.233 336 HG SER 43 HG SER 43 -7.156 5.534 -0.014 337 HB2 SER 43 2HB SER 43 -9.422 6.404 1.073 338 HB3 SER 43 1HB SER 43 -9.699 6.148 -0.652 339 H ASP 44 HN ASP 44 -8.191 9.733 -1.546 340 HA ASP 44 HA ASP 44 -9.926 11.244 0.210 341 HB2 ASP 44 2HB ASP 44 -7.953 12.292 -0.904 342 HB3 ASP 44 1HB ASP 44 -8.732 12.033 -2.461 343 HA PRO 45 HA PRO 45 -13.535 9.743 -1.946 344 HB2 PRO 45 2HB PRO 45 -14.887 11.867 -0.398 345 HB3 PRO 45 1HB PRO 45 -15.198 10.129 -0.432 346 HG2 PRO 45 2HG PRO 45 -14.038 11.294 1.677 347 HG3 PRO 45 1HG PRO 45 -13.563 9.672 1.139 348 HD2 PRO 45 2HD PRO 45 -12.180 12.294 0.706 349 HD3 PRO 45 1HD PRO 45 -11.487 10.703 1.088 350 H ARG 46 HN ARG 46 -12.705 10.682 -3.923 351 HA ARG 46 HA ARG 46 -14.140 13.150 -4.641 352 HE ARG 46 HE ARG 46 -11.932 16.303 -7.725 353 HB2 ARG 46 2HB ARG 46 -11.630 13.397 -4.474 354 HB3 ARG 46 1HB ARG 46 -11.496 12.257 -5.805 355 HG2 ARG 46 2HG ARG 46 -12.772 13.790 -7.232 356 HG3 ARG 46 1HG ARG 46 -12.862 14.938 -5.896 357 HD2 ARG 46 2HD ARG 46 -10.426 15.115 -5.876 358 HD3 ARG 46 1HD ARG 46 -10.326 13.946 -7.195 359 HH11 ARG 46 1HH1 ARG 46 -8.742 14.859 -7.935 360 HH12 ARG 46 2HH1 ARG 46 -8.258 15.841 -9.283 361 HH21 ARG 46 1HH2 ARG 46 -11.289 17.594 -9.490 362 HH22 ARG 46 2HH2 ARG 46 -9.695 17.387 -10.174 363 H ARG 47 HN ARG 47 -14.306 9.985 -4.947 364 HA ARG 47 HA ARG 47 -14.544 9.655 -7.794 365 HE ARG 47 HE ARG 47 -11.487 7.668 -4.587 366 HB2 ARG 47 2HB ARG 47 -15.990 7.843 -5.913 367 HB3 ARG 47 1HB ARG 47 -15.097 7.450 -7.371 368 HG2 ARG 47 2HG ARG 47 -13.837 8.260 -4.766 369 HG3 ARG 47 1HG ARG 47 -14.071 6.596 -5.299 370 HD2 ARG 47 2HD ARG 47 -12.629 6.992 -7.218 371 HD3 ARG 47 1HD ARG 47 -12.436 8.683 -6.741 372 HH11 ARG 47 1HH1 ARG 47 -11.082 6.251 -7.765 373 HH12 ARG 47 2HH1 ARG 47 -9.682 5.334 -7.317 374 HH21 ARG 47 1HH2 ARG 47 -9.672 6.488 -3.987 375 HH22 ARG 47 2HH2 ARG 47 -8.838 5.512 -5.165 376 H THR 48 HN THR 48 -16.930 9.376 -5.201 377 HA THR 48 HA THR 48 -18.803 11.123 -6.482 378 HB THR 48 HB THR 48 -19.352 9.226 -7.819 379 HG1 THR 48 1HG THR 48 -21.465 9.057 -7.314 380 HG21 THR 48 3HG2 THR 48 -19.418 7.596 -5.279 381 HG22 THR 48 1HG2 THR 48 -18.193 7.503 -6.543 382 HG23 THR 48 2HG2 THR 48 -19.852 7.010 -6.885 383 HA PRO 49 HA PRO 49 -19.993 11.498 -2.191 384 HB2 PRO 49 2HB PRO 49 -22.506 12.500 -2.526 385 HB3 PRO 49 1HB PRO 49 -21.041 13.467 -2.720 386 HG2 PRO 49 2HG PRO 49 -22.740 12.166 -4.813 387 HG3 PRO 49 1HG PRO 49 -22.010 13.784 -4.808 388 HD2 PRO 49 2HD PRO 49 -20.928 11.727 -6.174 389 HD3 PRO 49 1HD PRO 49 -19.931 12.985 -5.417 390 H GLU 50 HN GLU 50 -21.578 9.536 -4.497 391 HA GLU 50 HA GLU 50 -23.544 8.366 -2.770 392 HB2 GLU 50 2HB GLU 50 -22.353 7.230 -5.306 393 HB3 GLU 50 1HB GLU 50 -23.883 6.779 -4.569 394 HG2 GLU 50 2HG GLU 50 -24.852 8.879 -5.116 395 HG3 GLU 50 1HG GLU 50 -23.293 9.528 -5.625 396 H VAL 51 HN VAL 51 -20.628 7.020 -4.283 397 HA VAL 51 HA VAL 51 -20.372 5.159 -2.019 398 HB VAL 51 HB VAL 51 -19.224 4.830 -4.800 399 HG11 VAL 51 1HG1 VAL 51 -19.461 2.868 -2.521 400 HG12 VAL 51 2HG1 VAL 51 -17.978 3.670 -3.038 401 HG13 VAL 51 3HG1 VAL 51 -18.789 2.533 -4.116 402 HG21 VAL 51 3HG2 VAL 51 -20.959 3.138 -5.156 403 HG22 VAL 51 1HG2 VAL 51 -21.654 4.738 -4.898 404 HG23 VAL 51 2HG2 VAL 51 -21.674 3.546 -3.597 405 H SER 52 HN SER 52 -18.946 6.039 -0.637 406 HA SER 52 HA SER 52 -16.706 7.601 -1.525 407 HG SER 52 HG SER 52 -15.161 7.292 1.016 408 HB2 SER 52 2HB SER 52 -17.887 8.009 0.648 409 HB3 SER 52 1HB SER 52 -17.262 6.469 1.232 410 H ASP 53 HN ASP 53 -14.639 6.928 -1.829 411 HA ASP 53 HA ASP 53 -14.204 4.102 -2.011 412 HB2 ASP 53 2HB ASP 53 -11.890 4.797 -2.764 413 HB3 ASP 53 1HB ASP 53 -13.227 5.360 -3.755 414 H ASN 54 HN ASN 54 -14.451 3.453 0.103 415 HA ASN 54 HA ASN 54 -12.394 4.262 2.012 416 HB2 ASN 54 2HB ASN 54 -14.813 2.470 2.335 417 HB3 ASN 54 1HB ASN 54 -13.685 2.874 3.623 418 HD21 ASN 54 1HD2 ASN 54 -16.554 3.357 3.408 419 HD22 ASN 54 2HD2 ASN 54 -16.754 5.071 3.589 420 HA PRO 55 HA PRO 55 -10.002 0.589 1.137 421 HB2 PRO 55 2HB PRO 55 -8.401 0.661 3.319 422 HB3 PRO 55 1HB PRO 55 -8.204 1.776 1.963 423 HG2 PRO 55 2HG PRO 55 -9.565 2.217 4.595 424 HG3 PRO 55 1HG PRO 55 -8.459 3.289 3.715 425 HD2 PRO 55 2HD PRO 55 -11.147 3.611 3.671 426 HD3 PRO 55 1HD PRO 55 -10.111 4.029 2.290 427 H VAL 56 HN VAL 56 -12.544 0.063 2.167 428 HA VAL 56 HA VAL 56 -12.143 -1.678 4.500 429 HB VAL 56 HB VAL 56 -13.952 0.058 4.496 430 HG11 VAL 56 1HG1 VAL 56 -16.001 -0.360 3.254 431 HG12 VAL 56 2HG1 VAL 56 -15.246 -1.748 2.469 432 HG13 VAL 56 3HG1 VAL 56 -14.628 -0.123 2.171 433 HG21 VAL 56 3HG2 VAL 56 -14.857 -2.801 4.796 434 HG22 VAL 56 1HG2 VAL 56 -15.661 -1.390 5.487 435 HG23 VAL 56 2HG2 VAL 56 -14.040 -1.832 6.022 436 H MET 57 HN MET 57 -12.256 -1.800 1.191 437 HA MET 57 HA MET 57 -13.416 -4.514 1.123 438 HB2 MET 57 2HB MET 57 -13.211 -2.429 -1.054 439 HB3 MET 57 1HB MET 57 -13.750 -4.081 -1.324 440 HG2 MET 57 2HG MET 57 -15.642 -3.733 0.145 441 HG3 MET 57 1HG MET 57 -15.087 -2.099 0.505 442 HE1 MET 57 3HE MET 57 -15.515 -0.313 -2.953 443 HE2 MET 57 1HE MET 57 -14.062 -1.125 -2.371 444 HE3 MET 57 2HE MET 57 -15.018 -0.134 -1.269 445 H ILE 58 HN ILE 58 -10.526 -3.153 1.339 446 HA ILE 58 HA ILE 58 -9.180 -4.449 -0.854 447 HB ILE 58 HB ILE 58 -8.428 -2.270 0.123 448 HG12 ILE 58 2HG1 ILE 58 -5.982 -2.866 0.120 449 HG13 ILE 58 1HG1 ILE 58 -6.457 -4.560 0.057 450 HG21 ILE 58 1HG2 ILE 58 -7.498 -3.993 2.409 451 HG22 ILE 58 2HG2 ILE 58 -8.768 -2.771 2.470 452 HG23 ILE 58 3HG2 ILE 58 -7.097 -2.291 2.172 453 HD11 ILE 58 3HD1 ILE 58 -7.062 -2.460 -2.016 454 HD12 ILE 58 1HD1 ILE 58 -7.596 -4.141 -2.077 455 HD13 ILE 58 2HD1 ILE 58 -5.876 -3.759 -2.144 456 H ALA 59 HN ALA 59 -10.154 -5.294 2.303 457 HA ALA 59 HA ALA 59 -8.055 -7.092 2.974 458 HB1 ALA 59 1HB ALA 59 -9.514 -6.080 4.666 459 HB2 ALA 59 2HB ALA 59 -9.512 -7.841 4.769 460 HB3 ALA 59 3HB ALA 59 -10.877 -7.003 4.033 461 H GLU 60 HN GLU 60 -11.362 -7.590 1.747 462 HA GLU 60 HA GLU 60 -11.201 -10.367 1.449 463 HB2 GLU 60 2HB GLU 60 -12.955 -9.863 -0.458 464 HB3 GLU 60 1HB GLU 60 -13.359 -9.685 1.241 465 HG2 GLU 60 2HG GLU 60 -12.342 -7.341 -0.300 466 HG3 GLU 60 1HG GLU 60 -14.023 -7.849 -0.448 467 H LEU 61 HN LEU 61 -10.015 -7.799 -0.558 468 HA LEU 61 HA LEU 61 -9.514 -9.345 -2.887 469 HG LEU 61 HG LEU 61 -8.222 -6.277 -4.450 470 HB2 LEU 61 2HB LEU 61 -9.596 -6.792 -2.610 471 HB3 LEU 61 1HB LEU 61 -7.961 -6.918 -2.012 472 HD11 LEU 61 1HD1 LEU 61 -6.587 -8.718 -3.783 473 HD12 LEU 61 2HD1 LEU 61 -6.099 -7.039 -3.553 474 HD13 LEU 61 3HD1 LEU 61 -6.346 -7.671 -5.182 475 HD21 LEU 61 3HD2 LEU 61 -8.605 -8.084 -6.039 476 HD22 LEU 61 1HD2 LEU 61 -10.013 -7.846 -5.004 477 HD23 LEU 61 2HD2 LEU 61 -8.921 -9.199 -4.710 478 H LEU 62 HN LEU 62 -7.358 -8.151 -0.327 479 HA LEU 62 HA LEU 62 -5.060 -9.445 -1.284 480 HG LEU 62 HG LEU 62 -6.783 -8.622 1.895 481 HB2 LEU 62 2HB LEU 62 -4.023 -8.876 0.809 482 HB3 LEU 62 1HB LEU 62 -4.997 -7.545 0.236 483 HD11 LEU 62 1HD1 LEU 62 -5.380 -10.488 2.576 484 HD12 LEU 62 2HD1 LEU 62 -5.679 -9.407 3.937 485 HD13 LEU 62 3HD1 LEU 62 -4.123 -9.370 3.106 486 HD21 LEU 62 3HD2 LEU 62 -4.495 -6.850 2.742 487 HD22 LEU 62 1HD2 LEU 62 -6.040 -7.011 3.575 488 HD23 LEU 62 2HD2 LEU 62 -5.981 -6.324 1.951 489 H ARG 63 HN ARG 63 -7.535 -10.513 0.943 490 HA ARG 63 HA ARG 63 -6.074 -12.782 1.883 491 HE ARG 63 HE ARG 63 -12.101 -12.928 1.784 492 HB2 ARG 63 2HB ARG 63 -8.036 -13.399 3.081 493 HB3 ARG 63 1HB ARG 63 -7.930 -11.648 3.145 494 HG2 ARG 63 2HG ARG 63 -9.601 -11.492 1.358 495 HG3 ARG 63 1HG ARG 63 -9.723 -13.253 1.337 496 HD2 ARG 63 2HD ARG 63 -10.412 -13.184 3.718 497 HD3 ARG 63 1HD ARG 63 -10.393 -11.422 3.640 498 HH11 ARG 63 1HH1 ARG 63 -11.821 -10.713 4.500 499 HH12 ARG 63 2HH1 ARG 63 -13.487 -10.218 4.408 500 HH21 ARG 63 1HH2 ARG 63 -14.272 -12.313 1.712 501 HH22 ARG 63 2HH2 ARG 63 -14.883 -11.156 2.854 502 H GLU 64 HN GLU 64 -7.185 -12.265 -1.130 503 HA GLU 64 HA GLU 64 -8.294 -14.923 -1.542 504 HB2 GLU 64 2HB GLU 64 -9.259 -12.893 -2.682 505 HB3 GLU 64 1HB GLU 64 -7.776 -12.798 -3.625 506 HG2 GLU 64 2HG GLU 64 -8.207 -15.028 -4.524 507 HG3 GLU 64 1HG GLU 64 -9.693 -15.116 -3.583 508 H PHE 65 HN PHE 65 -5.263 -13.419 -1.557 509 HA PHE 65 HA PHE 65 -4.182 -15.515 -3.329 510 HD1 PHE 65 2HD PHE 65 -4.634 -14.494 -5.525 511 HD2 PHE 65 1HD PHE 65 -3.662 -10.950 -3.389 512 HE1 PHE 65 2HE PHE 65 -6.020 -13.183 -7.080 513 HE2 PHE 65 1HE PHE 65 -5.048 -9.630 -4.934 514 HZ PHE 65 HZ PHE 65 -6.229 -10.745 -6.789 515 HB2 PHE 65 2HB PHE 65 -2.775 -12.922 -2.691 516 HB3 PHE 65 1HB PHE 65 -2.414 -14.068 -3.975 517 HA PRO 66 HA PRO 66 -2.442 -16.361 0.837 518 HB2 PRO 66 2HB PRO 66 -3.077 -18.951 1.008 519 HB3 PRO 66 1HB PRO 66 -4.293 -17.695 1.273 520 HG2 PRO 66 2HG PRO 66 -3.844 -19.431 -1.107 521 HG3 PRO 66 1HG PRO 66 -5.366 -18.843 -0.417 522 HD2 PRO 66 2HD PRO 66 -4.028 -17.753 -2.619 523 HD3 PRO 66 1HD PRO 66 -5.318 -16.968 -1.691 524 H GLN 67 HN GLN 67 -0.932 -16.178 -1.562 525 HA GLN 67 HA GLN 67 0.733 -18.593 -1.526 526 HB2 GLN 67 2HB GLN 67 -0.008 -17.804 -3.738 527 HB3 GLN 67 1HB GLN 67 0.727 -16.238 -3.432 528 HG2 GLN 67 2HG GLN 67 2.129 -17.553 -4.885 529 HG3 GLN 67 1HG GLN 67 2.931 -17.292 -3.337 530 HE21 GLN 67 1HE2 GLN 67 1.429 -19.600 -5.435 531 HE22 GLN 67 2HE2 GLN 67 1.964 -21.020 -4.598 532 H PHE 68 HN PHE 68 0.893 -15.076 -1.234 533 HA PHE 68 HA PHE 68 3.533 -15.330 0.038 534 HD1 PHE 68 2HD PHE 68 4.850 -14.952 -2.384 535 HD2 PHE 68 1HD PHE 68 1.334 -12.628 -2.854 536 HE1 PHE 68 2HE PHE 68 4.907 -15.375 -4.809 537 HE2 PHE 68 1HE PHE 68 1.365 -13.038 -5.274 538 HZ PHE 68 HZ PHE 68 3.155 -14.419 -6.257 539 HB2 PHE 68 2HB PHE 68 2.347 -12.707 -0.806 540 HB3 PHE 68 1HB PHE 68 4.041 -13.169 -0.681 541 H ASP 69 HN ASP 69 3.883 -13.610 1.788 542 HA ASP 69 HA ASP 69 1.478 -13.455 3.467 543 HB2 ASP 69 2HB ASP 69 3.409 -14.427 4.583 544 HB3 ASP 69 1HB ASP 69 4.396 -13.029 4.160 545 H TRP 70 HN TRP 70 0.391 -11.753 2.634 546 HA TRP 70 HA TRP 70 1.778 -9.355 1.846 547 HD1 TRP 70 1HD TRP 70 -0.555 -12.394 0.899 548 HE1 TRP 70 1HE TRP 70 -0.349 -13.005 -1.589 549 HE3 TRP 70 3HE TRP 70 0.147 -7.706 -1.046 550 HZ2 TRP 70 2HZ TRP 70 0.035 -11.681 -4.046 551 HZ3 TRP 70 3HZ TRP 70 0.414 -7.476 -3.482 552 HH2 TRP 70 2HH TRP 70 0.361 -9.430 -4.947 553 HB2 TRP 70 2HB TRP 70 -1.190 -9.861 2.002 554 HB3 TRP 70 1HB TRP 70 -0.407 -8.523 1.183 555 H GLN 71 HN GLN 71 1.947 -7.541 2.920 556 HA GLN 71 HA GLN 71 0.249 -7.109 5.281 557 HB2 GLN 71 2HB GLN 71 3.078 -6.135 4.838 558 HB3 GLN 71 1HB GLN 71 2.046 -5.642 6.172 559 HG2 GLN 71 2HG GLN 71 1.922 -8.174 6.693 560 HG3 GLN 71 1HG GLN 71 3.358 -8.279 5.673 561 HE21 GLN 71 1HE2 GLN 71 4.177 -5.550 6.515 562 HE22 GLN 71 2HE2 GLN 71 4.827 -5.736 8.103 563 H VAL 72 HN VAL 72 -0.568 -4.982 5.517 564 HA VAL 72 HA VAL 72 -0.525 -3.487 2.984 565 HB VAL 72 HB VAL 72 -2.632 -3.340 5.145 566 HG11 VAL 72 1HG1 VAL 72 -2.464 -1.333 3.767 567 HG12 VAL 72 2HG1 VAL 72 -3.961 -2.205 3.436 568 HG13 VAL 72 3HG1 VAL 72 -2.609 -2.314 2.308 569 HG21 VAL 72 3HG2 VAL 72 -2.613 -5.561 4.156 570 HG22 VAL 72 1HG2 VAL 72 -2.680 -4.857 2.541 571 HG23 VAL 72 2HG2 VAL 72 -4.042 -4.663 3.646 572 H ALA 73 HN ALA 73 0.236 -1.488 2.948 573 HA ALA 73 HA ALA 73 0.791 -0.176 5.525 574 HB1 ALA 73 1HB ALA 73 2.637 0.975 4.438 575 HB2 ALA 73 2HB ALA 73 2.248 0.191 2.907 576 HB3 ALA 73 3HB ALA 73 2.823 -0.771 4.270 577 H VAL 74 HN VAL 74 0.346 2.019 5.714 578 HA VAL 74 HA VAL 74 -1.369 3.110 3.579 579 HB VAL 74 HB VAL 74 -2.491 4.451 5.403 580 HG11 VAL 74 1HG1 VAL 74 -3.957 2.611 6.077 581 HG12 VAL 74 2HG1 VAL 74 -2.759 1.452 5.503 582 HG13 VAL 74 3HG1 VAL 74 -3.558 2.533 4.361 583 HG21 VAL 74 3HG2 VAL 74 -2.373 3.567 7.689 584 HG22 VAL 74 1HG2 VAL 74 -0.812 4.186 7.150 585 HG23 VAL 74 2HG2 VAL 74 -1.107 2.448 7.187 586 H ALA 75 HN ALA 75 -1.008 5.124 2.881 587 HA ALA 75 HA ALA 75 1.506 6.336 3.673 588 HB1 ALA 75 1HB ALA 75 0.969 6.044 1.302 589 HB2 ALA 75 2HB ALA 75 1.209 7.742 1.712 590 HB3 ALA 75 3HB ALA 75 -0.423 7.111 1.487 591 H ASP 76 HN ASP 76 -1.126 6.423 5.246 592 HA ASP 76 HA ASP 76 -2.171 7.817 6.684 593 HB2 ASP 76 2HB ASP 76 0.080 8.339 7.420 594 HB3 ASP 76 1HB ASP 76 0.278 9.504 6.122 595 H LEU 77 HN LEU 77 -1.109 10.819 5.529 596 HA LEU 77 HA LEU 77 -3.136 11.070 3.451 597 HG LEU 77 HG LEU 77 -5.022 10.788 5.087 598 HB2 LEU 77 2HB LEU 77 -3.058 12.876 5.884 599 HB3 LEU 77 1HB LEU 77 -4.012 13.176 4.450 600 HD11 LEU 77 1HD1 LEU 77 -3.563 10.476 7.024 601 HD12 LEU 77 2HD1 LEU 77 -5.259 10.564 7.498 602 HD13 LEU 77 3HD1 LEU 77 -4.200 11.953 7.747 603 HD21 LEU 77 3HD2 LEU 77 -5.801 13.406 6.373 604 HD22 LEU 77 1HD2 LEU 77 -6.836 11.985 6.216 605 HD23 LEU 77 2HD2 LEU 77 -6.290 12.841 4.775 606 H GLU 78 HN GLU 78 -0.930 12.934 5.479 607 HA GLU 78 HA GLU 78 -0.273 14.902 3.594 608 HB2 GLU 78 2HB GLU 78 0.097 14.749 6.173 609 HB3 GLU 78 1HB GLU 78 1.609 13.968 5.745 610 HG2 GLU 78 2HG GLU 78 0.803 16.694 4.774 611 HG3 GLU 78 1HG GLU 78 1.762 16.408 6.222 612 H GLN 79 HN GLN 79 1.428 11.946 4.546 613 HA GLN 79 HA GLN 79 3.641 12.300 2.830 614 HB2 GLN 79 2HB GLN 79 2.564 9.844 4.208 615 HB3 GLN 79 1HB GLN 79 4.064 9.864 3.300 616 HG2 GLN 79 2HG GLN 79 4.647 10.086 5.576 617 HG3 GLN 79 1HG GLN 79 4.864 11.674 4.846 618 HE21 GLN 79 1HE2 GLN 79 1.769 10.274 5.720 619 HE22 GLN 79 2HE2 GLN 79 1.407 11.394 6.989 620 H SER 80 HN SER 80 0.479 11.078 2.263 621 HA SER 80 HA SER 80 0.900 9.137 0.332 622 HG SER 80 HG SER 80 -0.707 9.353 2.259 623 HB2 SER 80 2HB SER 80 -1.383 11.104 0.551 624 HB3 SER 80 1HB SER 80 -1.403 9.633 -0.424 625 H GLU 81 HN GLU 81 0.727 12.655 -0.088 626 HA GLU 81 HA GLU 81 0.723 12.554 -2.926 627 HB2 GLU 81 2HB GLU 81 0.003 14.508 -1.499 628 HB3 GLU 81 1HB GLU 81 1.707 14.835 -1.219 629 HG2 GLU 81 2HG GLU 81 2.024 15.085 -3.653 630 HG3 GLU 81 1HG GLU 81 0.290 14.858 -3.870 631 H ALA 82 HN ALA 82 3.255 12.868 -0.493 632 HA ALA 82 HA ALA 82 5.408 13.232 -2.303 633 HB1 ALA 82 1HB ALA 82 6.840 12.713 -0.385 634 HB2 ALA 82 2HB ALA 82 5.426 12.177 0.523 635 HB3 ALA 82 3HB ALA 82 5.578 13.867 0.044 636 H ILE 83 HN ILE 83 4.022 10.395 -0.703 637 HA ILE 83 HA ILE 83 5.888 8.532 -1.737 638 HB ILE 83 HB ILE 83 3.069 8.109 -0.735 639 HG12 ILE 83 2HG1 ILE 83 5.777 7.708 0.556 640 HG13 ILE 83 1HG1 ILE 83 4.636 8.995 0.929 641 HG21 ILE 83 1HG2 ILE 83 3.719 6.283 -2.223 642 HG22 ILE 83 2HG2 ILE 83 3.652 5.739 -0.546 643 HG23 ILE 83 3HG2 ILE 83 5.210 6.063 -1.307 644 HD11 ILE 83 3HD1 ILE 83 3.044 7.326 1.747 645 HD12 ILE 83 1HD1 ILE 83 4.575 7.272 2.622 646 HD13 ILE 83 2HD1 ILE 83 4.216 6.054 1.399 647 H GLY 84 HN GLY 84 2.720 9.645 -2.854 648 HA2 GLY 84 2HA GLY 84 2.551 8.038 -5.163 649 HA3 GLY 84 1HA GLY 84 1.770 9.599 -4.943 650 H ASP 85 HN ASP 85 4.060 11.168 -4.582 651 HA ASP 85 HA ASP 85 4.922 11.698 -7.207 652 HB2 ASP 85 2HB ASP 85 4.943 13.407 -5.481 653 HB3 ASP 85 1HB ASP 85 6.096 12.484 -4.536 654 H ARG 86 HN ARG 86 6.291 9.842 -4.589 655 HA ARG 86 HA ARG 86 8.851 9.442 -5.711 656 HE ARG 86 HE ARG 86 12.053 7.256 -3.222 657 HB2 ARG 86 2HB ARG 86 8.175 9.147 -3.289 658 HB3 ARG 86 1HB ARG 86 7.440 7.620 -3.760 659 HG2 ARG 86 2HG ARG 86 9.663 7.311 -2.799 660 HG3 ARG 86 1HG ARG 86 9.595 6.774 -4.480 661 HD2 ARG 86 2HD ARG 86 10.642 8.825 -5.215 662 HD3 ARG 86 1HD ARG 86 10.621 9.460 -3.570 663 HH11 ARG 86 1HH1 ARG 86 12.232 9.624 -5.791 664 HH12 ARG 86 2HH1 ARG 86 13.943 9.453 -5.999 665 HH21 ARG 86 1HH2 ARG 86 14.299 7.024 -3.494 666 HH22 ARG 86 2HH2 ARG 86 15.123 7.971 -4.701 667 H PHE 87 HN PHE 87 5.819 7.663 -5.982 668 HA PHE 87 HA PHE 87 7.160 5.637 -7.615 669 HD1 PHE 87 1HD PHE 87 7.603 3.881 -6.544 670 HD2 PHE 87 2HD PHE 87 4.131 4.929 -4.323 671 HE1 PHE 87 1HE PHE 87 8.518 2.718 -4.580 672 HE2 PHE 87 2HE PHE 87 5.037 3.763 -2.354 673 HZ PHE 87 HZ PHE 87 7.234 2.659 -2.479 674 HB2 PHE 87 2HB PHE 87 4.367 5.726 -6.464 675 HB3 PHE 87 1HB PHE 87 4.971 4.433 -7.496 676 H ASN 88 HN ASN 88 5.750 8.545 -8.055 677 HA ASN 88 HA ASN 88 5.071 9.718 -9.870 678 HB2 ASN 88 2HB ASN 88 5.982 7.238 -11.337 679 HB3 ASN 88 1HB ASN 88 5.448 8.709 -12.145 680 HD21 ASN 88 1HD2 ASN 88 7.913 7.270 -10.144 681 HD22 ASN 88 2HD2 ASN 88 9.100 8.509 -10.363 682 H VAL 89 HN VAL 89 3.278 8.006 -8.353 683 HA VAL 89 HA VAL 89 1.094 7.801 -10.324 684 HB VAL 89 HB VAL 89 1.510 5.919 -7.988 685 HG11 VAL 89 1HG1 VAL 89 -0.411 4.704 -8.924 686 HG12 VAL 89 2HG1 VAL 89 -0.607 5.970 -10.137 687 HG13 VAL 89 3HG1 VAL 89 -0.839 6.340 -8.428 688 HG21 VAL 89 3HG2 VAL 89 1.757 5.387 -10.950 689 HG22 VAL 89 1HG2 VAL 89 1.877 4.180 -9.668 690 HG23 VAL 89 2HG2 VAL 89 3.089 5.454 -9.796 691 H ARG 90 HN ARG 90 -0.357 9.332 -9.825 692 HA ARG 90 HA ARG 90 -1.234 9.708 -7.104 693 HE ARG 90 HE ARG 90 2.386 13.241 -10.315 694 HB2 ARG 90 2HB ARG 90 -0.709 12.211 -7.231 695 HB3 ARG 90 1HB ARG 90 0.623 11.120 -6.875 696 HG2 ARG 90 2HG ARG 90 1.268 11.210 -9.271 697 HG3 ARG 90 1HG ARG 90 0.008 12.422 -9.520 698 HD2 ARG 90 2HD ARG 90 1.086 13.973 -8.107 699 HD3 ARG 90 1HD ARG 90 2.176 12.744 -7.466 700 HH11 ARG 90 1HH1 ARG 90 3.508 14.096 -7.130 701 HH12 ARG 90 2HH1 ARG 90 5.094 14.569 -7.659 702 HH21 ARG 90 1HH2 ARG 90 4.437 13.888 -11.050 703 HH22 ARG 90 2HH2 ARG 90 5.614 14.481 -9.906 704 H ARG 91 HN ARG 91 -2.412 12.189 -7.359 705 HA ARG 91 HA ARG 91 -4.233 13.289 -8.120 706 HE ARG 91 HE ARG 91 -4.583 11.565 -12.543 707 HB2 ARG 91 2HB ARG 91 -3.288 13.282 -10.354 708 HB3 ARG 91 1HB ARG 91 -3.863 11.641 -10.628 709 HG2 ARG 91 2HG ARG 91 -6.139 12.367 -10.618 710 HG3 ARG 91 1HG ARG 91 -5.671 13.992 -10.111 711 HD2 ARG 91 2HD ARG 91 -6.191 13.854 -12.520 712 HD3 ARG 91 1HD ARG 91 -4.531 14.359 -12.206 713 HH11 ARG 91 1HH1 ARG 91 -5.027 14.502 -14.390 714 HH12 ARG 91 2HH1 ARG 91 -4.484 13.808 -15.884 715 HH21 ARG 91 1HH2 ARG 91 -3.890 10.625 -14.502 716 HH22 ARG 91 2HH2 ARG 91 -3.866 11.577 -15.957 717 H PHE 92 HN PHE 92 -4.389 9.850 -9.014 718 HA PHE 92 HA PHE 92 -6.979 9.735 -7.615 719 HD1 PHE 92 2HD PHE 92 -9.182 9.542 -9.045 720 HD2 PHE 92 1HD PHE 92 -5.913 9.232 -11.749 721 HE1 PHE 92 2HE PHE 92 -10.388 10.955 -10.657 722 HE2 PHE 92 1HE PHE 92 -7.114 10.640 -13.370 723 HZ PHE 92 HZ PHE 92 -9.355 11.506 -12.823 724 HB2 PHE 92 2HB PHE 92 -5.917 7.951 -9.819 725 HB3 PHE 92 1HB PHE 92 -7.419 7.675 -8.946 726 HA PRO 93 HA PRO 93 -4.707 7.419 -4.529 727 HB2 PRO 93 2HB PRO 93 -7.434 6.525 -3.786 728 HB3 PRO 93 1HB PRO 93 -6.189 7.282 -2.786 729 HG2 PRO 93 2HG PRO 93 -8.344 8.653 -3.579 730 HG3 PRO 93 1HG PRO 93 -6.749 9.420 -3.470 731 HD2 PRO 93 2HD PRO 93 -8.244 8.486 -5.883 732 HD3 PRO 93 1HD PRO 93 -7.216 9.919 -5.675 733 H ALA 94 HN ALA 94 -3.771 5.523 -4.887 734 HA ALA 94 HA ALA 94 -5.302 3.330 -6.090 735 HB1 ALA 94 1HB ALA 94 -3.585 2.949 -7.763 736 HB2 ALA 94 2HB ALA 94 -2.677 4.343 -7.177 737 HB3 ALA 94 3HB ALA 94 -4.255 4.572 -7.930 738 H THR 95 HN THR 95 -4.419 1.293 -5.784 739 HA THR 95 HA THR 95 -2.711 0.992 -3.484 740 HB THR 95 HB THR 95 -3.767 -1.180 -5.301 741 HG1 THR 95 1HG THR 95 -5.103 -0.345 -2.955 742 HG21 THR 95 3HG2 THR 95 -3.658 -2.542 -3.261 743 HG22 THR 95 1HG2 THR 95 -3.029 -1.156 -2.369 744 HG23 THR 95 2HG2 THR 95 -2.079 -1.874 -3.671 745 H LEU 96 HN LEU 96 -0.553 0.788 -3.601 746 HA LEU 96 HA LEU 96 0.692 0.153 -6.165 747 HG LEU 96 HG LEU 96 2.872 2.856 -4.829 748 HB2 LEU 96 2HB LEU 96 1.832 1.019 -3.510 749 HB3 LEU 96 1HB LEU 96 2.837 0.475 -4.837 750 HD11 LEU 96 1HD1 LEU 96 2.795 1.823 -7.023 751 HD12 LEU 96 2HD1 LEU 96 1.988 3.389 -7.033 752 HD13 LEU 96 3HD1 LEU 96 1.033 1.907 -7.016 753 HD21 LEU 96 3HD2 LEU 96 0.868 4.234 -5.007 754 HD22 LEU 96 1HD2 LEU 96 0.856 3.277 -3.527 755 HD23 LEU 96 2HD2 LEU 96 -0.142 2.792 -4.898 756 H VAL 97 HN VAL 97 1.371 -1.821 -6.660 757 HA VAL 97 HA VAL 97 1.118 -3.865 -4.565 758 HB VAL 97 HB VAL 97 1.164 -4.305 -7.553 759 HG11 VAL 97 1HG1 VAL 97 0.359 -6.124 -5.281 760 HG12 VAL 97 2HG1 VAL 97 1.841 -6.244 -6.227 761 HG13 VAL 97 3HG1 VAL 97 0.279 -6.516 -7.000 762 HG21 VAL 97 3HG2 VAL 97 -0.775 -2.969 -6.945 763 HG22 VAL 97 1HG2 VAL 97 -1.200 -4.128 -5.685 764 HG23 VAL 97 2HG2 VAL 97 -1.265 -4.606 -7.381 765 H PHE 98 HN PHE 98 2.907 -4.610 -3.711 766 HA PHE 98 HA PHE 98 5.357 -4.617 -5.340 767 HD1 PHE 98 2HD PHE 98 7.931 -3.538 -4.398 768 HD2 PHE 98 1HD PHE 98 4.320 -1.736 -3.051 769 HE1 PHE 98 2HE PHE 98 8.777 -1.348 -5.094 770 HE2 PHE 98 1HE PHE 98 5.160 0.471 -3.742 771 HZ PHE 98 HZ PHE 98 7.394 0.669 -4.765 772 HB2 PHE 98 2HB PHE 98 4.873 -4.000 -2.460 773 HB3 PHE 98 1HB PHE 98 6.414 -4.713 -2.929 774 H THR 99 HN THR 99 6.454 -6.420 -5.583 775 HA THR 99 HA THR 99 6.104 -8.678 -3.789 776 HB THR 99 HB THR 99 5.942 -10.127 -6.019 777 HG1 THR 99 1HG THR 99 4.742 -7.635 -6.647 778 HG21 THR 99 3HG2 THR 99 4.393 -10.303 -4.142 779 HG22 THR 99 1HG2 THR 99 3.517 -10.309 -5.674 780 HG23 THR 99 2HG2 THR 99 3.554 -8.849 -4.684 781 H ASP 100 HN ASP 100 7.925 -9.920 -3.675 782 HA ASP 100 HA ASP 100 10.138 -10.425 -3.824 783 HB2 ASP 100 2HB ASP 100 9.747 -9.585 -6.704 784 HB3 ASP 100 1HB ASP 100 11.221 -10.307 -6.078 785 H GLY 101 HN GLY 101 9.203 -7.683 -3.154 786 HA2 GLY 101 2HA GLY 101 10.177 -5.671 -2.599 787 HA3 GLY 101 1HA GLY 101 11.720 -6.342 -3.109 788 H LYS 102 HN LYS 102 9.244 -6.513 -5.442 789 HA LYS 102 HA LYS 102 10.399 -4.193 -6.843 790 HB2 LYS 102 2HB LYS 102 9.280 -6.709 -8.094 791 HB3 LYS 102 1HB LYS 102 10.041 -5.369 -8.936 792 HG2 LYS 102 2HG LYS 102 11.400 -7.198 -6.976 793 HG3 LYS 102 1HG LYS 102 11.536 -7.283 -8.733 794 HD2 LYS 102 2HD LYS 102 12.637 -5.168 -8.822 795 HD3 LYS 102 1HD LYS 102 12.293 -4.852 -7.118 796 HE2 LYS 102 2HE LYS 102 14.027 -7.097 -8.148 797 HE3 LYS 102 1HE LYS 102 14.629 -5.558 -7.526 798 HZ1 LYS 102 3HZ LYS 102 14.593 -7.449 -5.902 799 HZ2 LYS 102 1HZ LYS 102 12.906 -7.371 -5.936 800 HZ3 LYS 102 2HZ LYS 102 13.806 -6.044 -5.384 801 H LEU 103 HN LEU 103 9.024 -2.838 -7.946 802 HA LEU 103 HA LEU 103 6.240 -2.921 -7.146 803 HG LEU 103 HG LEU 103 5.415 -0.688 -9.298 804 HB2 LEU 103 2HB LEU 103 7.440 -0.797 -7.056 805 HB3 LEU 103 1HB LEU 103 7.805 -0.908 -8.767 806 HD11 LEU 103 1HD1 LEU 103 5.056 -0.340 -6.324 807 HD12 LEU 103 2HD1 LEU 103 4.483 -1.701 -7.285 808 HD13 LEU 103 3HD1 LEU 103 3.812 -0.092 -7.550 809 HD21 LEU 103 3HD2 LEU 103 5.163 1.651 -8.667 810 HD22 LEU 103 1HD2 LEU 103 6.817 1.308 -9.176 811 HD23 LEU 103 2HD2 LEU 103 6.438 1.471 -7.460 812 H ARG 104 HN ARG 104 4.717 -3.844 -8.336 813 HA ARG 104 HA ARG 104 5.299 -4.614 -11.079 814 HE ARG 104 HE ARG 104 5.717 -8.525 -8.576 815 HB2 ARG 104 2HB ARG 104 2.791 -5.059 -9.449 816 HB3 ARG 104 1HB ARG 104 3.179 -5.816 -10.986 817 HG2 ARG 104 2HG ARG 104 4.690 -6.196 -8.414 818 HG3 ARG 104 1HG ARG 104 3.544 -7.334 -9.120 819 HD2 ARG 104 2HD ARG 104 4.967 -7.641 -11.042 820 HD3 ARG 104 1HD ARG 104 6.074 -6.396 -10.461 821 HH11 ARG 104 1HH1 ARG 104 7.458 -7.543 -11.457 822 HH12 ARG 104 2HH1 ARG 104 8.815 -8.581 -11.141 823 HH21 ARG 104 1HH2 ARG 104 7.498 -9.904 -8.172 824 HH22 ARG 104 2HH2 ARG 104 8.830 -9.940 -9.286 825 H GLY 105 HN GLY 105 3.374 -2.344 -9.286 826 HA2 GLY 105 2HA GLY 105 3.194 -0.280 -10.915 827 HA3 GLY 105 1HA GLY 105 2.052 -1.369 -11.696 828 H ALA 106 HN ALA 106 0.638 0.539 -11.158 829 HA ALA 106 HA ALA 106 -0.368 0.370 -8.399 830 HB1 ALA 106 1HB ALA 106 -1.454 2.513 -8.827 831 HB2 ALA 106 2HB ALA 106 -0.847 2.496 -10.484 832 HB3 ALA 106 3HB ALA 106 0.280 2.611 -9.133 833 H LEU 107 HN LEU 107 -2.810 0.660 -8.250 834 HA LEU 107 HA LEU 107 -4.030 -1.226 -10.105 835 HG LEU 107 HG LEU 107 -6.190 -2.359 -7.369 836 HB2 LEU 107 2HB LEU 107 -4.225 -0.954 -7.414 837 HB3 LEU 107 1HB LEU 107 -5.629 -0.038 -7.914 838 HD11 LEU 107 1HD1 LEU 107 -6.478 -1.716 -10.296 839 HD12 LEU 107 2HD1 LEU 107 -7.566 -1.210 -9.001 840 HD13 LEU 107 3HD1 LEU 107 -7.416 -2.919 -9.411 841 HD21 LEU 107 3HD2 LEU 107 -4.359 -3.043 -9.660 842 HD22 LEU 107 1HD2 LEU 107 -5.428 -4.175 -8.832 843 HD23 LEU 107 2HD2 LEU 107 -4.096 -3.421 -7.957 844 H SER 108 HN SER 108 -4.315 2.118 -9.053 845 HA SER 108 HA SER 108 -5.468 3.911 -9.822 846 HG SER 108 HG SER 108 -3.601 4.302 -12.462 847 HB2 SER 108 2HB SER 108 -5.297 2.374 -12.428 848 HB3 SER 108 1HB SER 108 -5.694 4.087 -12.277 849 H GLY 109 HN GLY 109 -6.967 1.687 -8.726 850 HA2 GLY 109 2HA GLY 109 -9.263 1.058 -10.212 851 HA3 GLY 109 1HA GLY 109 -9.108 0.939 -8.464 852 H ILE 110 HN ILE 110 -10.579 2.543 -11.019 853 HA ILE 110 HA ILE 110 -11.558 4.657 -9.207 854 HB ILE 110 HB ILE 110 -10.532 5.438 -11.341 855 HG12 ILE 110 2HG1 ILE 110 -13.508 5.959 -11.160 856 HG13 ILE 110 1HG1 ILE 110 -12.281 6.753 -10.177 857 HG21 ILE 110 1HG2 ILE 110 -11.735 5.095 -13.453 858 HG22 ILE 110 2HG2 ILE 110 -12.843 3.994 -12.632 859 HG23 ILE 110 3HG2 ILE 110 -11.135 3.580 -12.776 860 HD11 ILE 110 3HD1 ILE 110 -12.515 6.926 -13.171 861 HD12 ILE 110 1HD1 ILE 110 -11.309 7.740 -12.175 862 HD13 ILE 110 2HD1 ILE 110 -13.015 8.163 -12.016 863 H HIS 111 HN HIS 111 -12.265 1.715 -10.601 864 HA HIS 111 HA HIS 111 -15.166 2.061 -10.236 865 HD1 HIS 111 1HD HIS 111 -13.335 0.178 -14.160 866 HD2 HIS 111 2HD HIS 111 -15.733 3.138 -12.468 867 HE1 HIS 111 1HE HIS 111 -13.687 1.893 -15.971 868 HE2 HIS 111 2HE HIS 111 -15.269 3.587 -14.979 869 HB2 HIS 111 2HB HIS 111 -13.681 -0.148 -11.695 870 HB3 HIS 111 1HB HIS 111 -15.429 0.003 -11.563 871 HA PRO 112 HA PRO 112 -14.893 0.297 -6.277 872 HB2 PRO 112 2HB PRO 112 -17.366 -1.180 -7.057 873 HB3 PRO 112 1HB PRO 112 -17.042 -0.207 -5.617 874 HG2 PRO 112 2HG PRO 112 -18.505 0.790 -7.584 875 HG3 PRO 112 1HG PRO 112 -17.304 1.803 -6.761 876 HD2 PRO 112 2HD PRO 112 -17.175 0.512 -9.452 877 HD3 PRO 112 1HD PRO 112 -16.548 2.089 -8.926 878 H TRP 113 HN TRP 113 -16.471 -2.393 -8.028 879 HA TRP 113 HA TRP 113 -14.066 -4.000 -7.714 880 HD1 TRP 113 1HD TRP 113 -15.830 -7.222 -7.997 881 HE1 TRP 113 1HE TRP 113 -14.419 -9.183 -7.103 882 HE3 TRP 113 3HE TRP 113 -13.684 -4.908 -3.978 883 HZ2 TRP 113 2HZ TRP 113 -12.632 -9.683 -4.968 884 HZ3 TRP 113 3HZ TRP 113 -12.141 -6.197 -2.557 885 HH2 TRP 113 2HH TRP 113 -11.629 -8.533 -3.045 886 HB2 TRP 113 2HB TRP 113 -15.337 -4.214 -5.565 887 HB3 TRP 113 1HB TRP 113 -16.672 -4.907 -6.479 888 H ALA 114 HN ALA 114 -13.772 -4.994 -9.512 889 HA ALA 114 HA ALA 114 -15.484 -6.845 -10.686 890 HB1 ALA 114 1HB ALA 114 -16.107 -5.748 -12.785 891 HB2 ALA 114 2HB ALA 114 -15.402 -4.236 -12.215 892 HB3 ALA 114 3HB ALA 114 -16.818 -4.908 -11.406 893 H GLU 115 HN GLU 115 -13.465 -4.341 -12.127 894 HA GLU 115 HA GLU 115 -11.915 -6.203 -13.637 895 HB2 GLU 115 2HB GLU 115 -10.629 -4.172 -14.289 896 HB3 GLU 115 1HB GLU 115 -12.365 -4.009 -14.529 897 HG2 GLU 115 2HG GLU 115 -12.421 -2.879 -12.256 898 HG3 GLU 115 1HG GLU 115 -10.664 -2.794 -12.379 899 H LEU 116 HN LEU 116 -11.709 -4.973 -10.487 900 HA LEU 116 HA LEU 116 -8.962 -4.773 -10.039 901 HG LEU 116 HG LEU 116 -8.840 -3.487 -7.978 902 HB2 LEU 116 2HB LEU 116 -11.142 -4.306 -8.548 903 HB3 LEU 116 1HB LEU 116 -10.700 -5.864 -7.883 904 HD11 LEU 116 1HD1 LEU 116 -10.743 -2.983 -6.567 905 HD12 LEU 116 2HD1 LEU 116 -9.310 -3.270 -5.579 906 HD13 LEU 116 3HD1 LEU 116 -10.549 -4.516 -5.717 907 HD21 LEU 116 3HD2 LEU 116 -7.708 -5.651 -7.872 908 HD22 LEU 116 1HD2 LEU 116 -8.681 -6.098 -6.470 909 HD23 LEU 116 2HD2 LEU 116 -7.533 -4.762 -6.359 910 H LEU 117 HN LEU 117 -11.111 -7.581 -9.901 911 HA LEU 117 HA LEU 117 -9.220 -9.423 -8.933 912 HG LEU 117 HG LEU 117 -12.268 -9.017 -8.543 913 HB2 LEU 117 2HB LEU 117 -11.591 -9.856 -10.755 914 HB3 LEU 117 1HB LEU 117 -10.681 -11.142 -9.986 915 HD11 LEU 117 1HD1 LEU 117 -13.776 -10.844 -7.968 916 HD12 LEU 117 2HD1 LEU 117 -12.814 -11.956 -8.942 917 HD13 LEU 117 3HD1 LEU 117 -13.681 -10.629 -9.716 918 HD21 LEU 117 3HD2 LEU 117 -10.791 -11.429 -7.495 919 HD22 LEU 117 1HD2 LEU 117 -11.816 -10.355 -6.546 920 HD23 LEU 117 2HD2 LEU 117 -10.326 -9.742 -7.262 921 H THR 118 HN THR 118 -10.208 -8.637 -12.250 922 HA THR 118 HA THR 118 -8.489 -10.329 -13.627 923 HB THR 118 HB THR 118 -9.240 -7.580 -14.607 924 HG1 THR 118 1HG THR 118 -10.865 -9.859 -14.153 925 HG21 THR 118 3HG2 THR 118 -9.394 -8.734 -16.767 926 HG22 THR 118 1HG2 THR 118 -8.959 -10.253 -15.985 927 HG23 THR 118 2HG2 THR 118 -7.794 -8.930 -16.050 928 H LEU 119 HN LEU 119 -8.014 -6.920 -12.701 929 HA LEU 119 HA LEU 119 -5.450 -6.635 -13.802 930 HG LEU 119 HG LEU 119 -6.519 -3.193 -13.144 931 HB2 LEU 119 2HB LEU 119 -7.069 -5.149 -11.809 932 HB3 LEU 119 1HB LEU 119 -5.341 -4.855 -11.797 933 HD11 LEU 119 1HD1 LEU 119 -5.165 -3.359 -15.158 934 HD12 LEU 119 2HD1 LEU 119 -4.843 -5.060 -14.819 935 HD13 LEU 119 3HD1 LEU 119 -4.227 -3.810 -13.735 936 HD21 LEU 119 3HD2 LEU 119 -8.415 -4.552 -13.865 937 HD22 LEU 119 1HD2 LEU 119 -7.343 -5.519 -14.879 938 HD23 LEU 119 2HD2 LEU 119 -7.600 -3.813 -15.244 939 H MET 120 HN MET 120 -6.424 -7.385 -10.448 940 HA MET 120 HA MET 120 -3.834 -7.615 -9.412 941 HB2 MET 120 2HB MET 120 -6.484 -8.711 -8.595 942 HB3 MET 120 1HB MET 120 -5.036 -9.313 -7.799 943 HG2 MET 120 2HG MET 120 -5.871 -6.427 -7.965 944 HG3 MET 120 1HG MET 120 -6.076 -7.480 -6.568 945 HE1 MET 120 3HE MET 120 -4.815 -5.784 -4.977 946 HE2 MET 120 1HE MET 120 -4.657 -4.672 -6.337 947 HE3 MET 120 2HE MET 120 -3.247 -5.072 -5.355 948 H ARG 121 HN ARG 121 -5.841 -10.050 -11.027 949 HA ARG 121 HA ARG 121 -4.159 -12.241 -10.546 950 HE ARG 121 HE ARG 121 -7.716 -13.759 -8.801 951 HB2 ARG 121 2HB ARG 121 -6.230 -11.636 -12.643 952 HB3 ARG 121 1HB ARG 121 -5.363 -13.155 -12.601 953 HG2 ARG 121 2HG ARG 121 -7.087 -12.049 -10.407 954 HG3 ARG 121 1HG ARG 121 -7.504 -13.374 -11.495 955 HD2 ARG 121 2HD ARG 121 -5.700 -14.709 -10.619 956 HD3 ARG 121 1HD ARG 121 -5.159 -13.373 -9.611 957 HH11 ARG 121 1HH1 ARG 121 -4.988 -15.915 -9.200 958 HH12 ARG 121 2HH1 ARG 121 -5.419 -16.915 -7.849 959 HH21 ARG 121 1HH2 ARG 121 -8.272 -15.037 -6.993 960 HH22 ARG 121 2HH2 ARG 121 -7.281 -16.415 -6.584 961 H SER 122 HN SER 122 -4.306 -9.899 -13.159 962 HA SER 122 HA SER 122 -2.258 -11.009 -14.748 963 HG SER 122 HG SER 122 -1.176 -9.221 -15.934 964 HB2 SER 122 2HB SER 122 -3.880 -9.283 -15.527 965 HB3 SER 122 1HB SER 122 -3.053 -8.094 -14.522 966 H ILE 123 HN ILE 123 -2.218 -8.973 -11.913 967 HA ILE 123 HA ILE 123 0.539 -8.211 -12.162 968 HB ILE 123 HB ILE 123 -1.400 -7.987 -9.858 969 HG12 ILE 123 2HG1 ILE 123 -0.262 -5.902 -11.733 970 HG13 ILE 123 1HG1 ILE 123 -1.876 -6.594 -11.850 971 HG21 ILE 123 1HG2 ILE 123 0.885 -8.158 -9.011 972 HG22 ILE 123 2HG2 ILE 123 0.233 -6.537 -8.776 973 HG23 ILE 123 3HG2 ILE 123 1.382 -6.844 -10.078 974 HD11 ILE 123 3HD1 ILE 123 -0.812 -4.927 -9.581 975 HD12 ILE 123 1HD1 ILE 123 -2.420 -5.649 -9.653 976 HD13 ILE 123 2HD1 ILE 123 -1.956 -4.412 -10.821 977 H VAL 124 HN VAL 124 -1.261 -10.519 -10.119 978 HA VAL 124 HA VAL 124 1.109 -11.450 -8.803 979 HB VAL 124 HB VAL 124 -0.294 -13.174 -7.796 980 HG11 VAL 124 1HG1 VAL 124 -1.890 -11.707 -6.640 981 HG12 VAL 124 2HG1 VAL 124 -1.602 -10.460 -7.852 982 HG13 VAL 124 3HG1 VAL 124 -0.292 -10.973 -6.789 983 HG21 VAL 124 3HG2 VAL 124 -2.681 -13.330 -8.303 984 HG22 VAL 124 1HG2 VAL 124 -1.699 -13.717 -9.716 985 HG23 VAL 124 2HG2 VAL 124 -2.487 -12.144 -9.593 986 H ASP 125 HN ASP 125 0.090 -11.878 -11.874 987 HA ASP 125 HA ASP 125 0.647 -14.612 -12.353 988 HB2 ASP 125 2HB ASP 125 -0.555 -13.113 -13.941 989 HB3 ASP 125 1HB ASP 125 0.957 -12.268 -14.247 990 H THR 126 HN THR 126 2.583 -11.672 -12.617 991 HA THR 126 HA THR 126 4.764 -11.189 -12.409 992 HB THR 126 HB THR 126 6.171 -12.519 -10.915 993 HG1 THR 126 1HG THR 126 4.323 -14.471 -11.515 994 HG21 THR 126 3HG2 THR 126 4.604 -10.954 -9.926 995 HG22 THR 126 1HG2 THR 126 4.758 -12.382 -8.906 996 HG23 THR 126 2HG2 THR 126 3.339 -12.184 -9.933 997 HA PRO 127 HA PRO 127 7.216 -13.070 -15.599 998 HB2 PRO 127 2HB PRO 127 9.759 -12.768 -14.622 999 HB3 PRO 127 1HB PRO 127 8.830 -11.462 -15.369 1000 HG2 PRO 127 2HG PRO 127 9.253 -12.077 -12.475 1001 HG3 PRO 127 1HG PRO 127 9.252 -10.506 -13.297 1002 HD2 PRO 127 2HD PRO 127 7.139 -11.378 -11.873 1003 HD3 PRO 127 1HD PRO 127 6.943 -10.389 -13.334 1004 H ALA 128 HN ALA 128 7.274 -14.227 -12.387 1005 HA ALA 128 HA ALA 128 7.566 -16.257 -11.440 1006 HB1 ALA 128 1HB ALA 128 7.154 -18.226 -12.776 1007 HB2 ALA 128 2HB ALA 128 7.418 -17.309 -14.259 1008 HB3 ALA 128 3HB ALA 128 6.031 -16.944 -13.233 1009 H ALA 129 HN ALA 129 9.558 -16.137 -10.567 1010 HA ALA 129 HA ALA 129 11.772 -16.477 -10.222 1011 HB1 ALA 129 1HB ALA 129 12.700 -18.561 -11.053 1012 HB2 ALA 129 2HB ALA 129 11.385 -18.702 -12.220 1013 HB3 ALA 129 3HB ALA 129 11.045 -18.802 -10.493 1014 H GLN 130 HN GLN 130 12.215 -14.410 -11.242 1015 HA GLN 130 HA GLN 130 13.613 -14.719 -13.813 1016 HB2 GLN 130 2HB GLN 130 11.465 -13.441 -13.969 1017 HB3 GLN 130 1HB GLN 130 12.146 -12.250 -12.872 1018 HG2 GLN 130 2HG GLN 130 12.278 -11.514 -15.178 1019 HG3 GLN 130 1HG GLN 130 13.884 -11.735 -14.487 1020 HE21 GLN 130 1HE2 GLN 130 15.224 -13.289 -15.302 1021 HE22 GLN 130 2HE2 GLN 130 14.865 -14.195 -16.737 1022 H GLU 131 HN GLU 131 13.374 -12.026 -11.505 1023 HA GLU 131 HA GLU 131 16.143 -12.469 -10.719 1024 HB2 GLU 131 2HB GLU 131 16.170 -10.927 -12.682 1025 HB3 GLU 131 1HB GLU 131 15.197 -9.792 -11.754 1026 HG2 GLU 131 2HG GLU 131 16.978 -9.622 -10.093 1027 HG3 GLU 131 1HG GLU 131 17.955 -10.760 -11.020 1028 H THR 132 HN THR 132 15.682 -12.843 -8.641 1029 HA THR 132 HA THR 132 14.512 -10.612 -7.122 1030 HB THR 132 HB THR 132 14.036 -13.555 -6.565 1031 HG1 THR 132 1HG THR 132 11.785 -12.808 -7.028 1032 HG21 THR 132 3HG2 THR 132 12.482 -12.748 -4.845 1033 HG22 THR 132 1HG2 THR 132 12.950 -11.085 -5.204 1034 HG23 THR 132 2HG2 THR 132 14.130 -12.206 -4.525 1035 H VAL 133 HN VAL 133 16.325 -9.800 -6.225 1036 HA VAL 133 HA VAL 133 18.486 -11.465 -5.325 1037 HB VAL 133 HB VAL 133 19.491 -9.372 -4.481 1038 HG11 VAL 133 1HG1 VAL 133 18.390 -9.144 -7.277 1039 HG12 VAL 133 2HG1 VAL 133 19.833 -10.040 -6.800 1040 HG13 VAL 133 3HG1 VAL 133 19.793 -8.284 -6.641 1041 HG21 VAL 133 3HG2 VAL 133 16.945 -8.077 -5.456 1042 HG22 VAL 133 1HG2 VAL 133 18.391 -7.221 -4.917 1043 HG23 VAL 133 2HG2 VAL 133 17.474 -8.208 -3.777 1044 H GLN 134 HN GLN 134 19.199 -11.701 -3.150 1045 HA GLN 134 HA GLN 134 17.284 -11.003 -1.060 1046 HB2 GLN 134 2HB GLN 134 16.681 -13.263 -1.944 1047 HB3 GLN 134 1HB GLN 134 18.274 -13.829 -1.469 1048 HG2 GLN 134 2HG GLN 134 17.705 -13.174 0.881 1049 HG3 GLN 134 1HG GLN 134 16.059 -12.875 0.321 1050 HE21 GLN 134 1HE2 GLN 134 18.141 -15.406 -0.888 1051 HE22 GLN 134 2HE2 GLN 134 17.213 -16.734 -0.266 1052 H LEU 135 HN LEU 135 18.841 -9.606 -0.262 1053 HA LEU 135 HA LEU 135 20.470 -8.957 1.172 1054 HG LEU 135 HG LEU 135 21.116 -9.303 3.501 1055 HB2 LEU 135 2HB LEU 135 19.427 -10.926 2.444 1056 HB3 LEU 135 1HB LEU 135 20.817 -11.852 1.925 1057 HD11 LEU 135 1HD1 LEU 135 20.862 -12.115 4.561 1058 HD12 LEU 135 2HD1 LEU 135 19.688 -10.817 4.775 1059 HD13 LEU 135 3HD1 LEU 135 21.287 -10.686 5.506 1060 HD21 LEU 135 3HD2 LEU 135 23.266 -10.286 4.120 1061 HD22 LEU 135 1HD2 LEU 135 23.121 -10.131 2.369 1062 HD23 LEU 135 2HD2 LEU 135 22.907 -11.704 3.136 1063 H GLU 136 HN GLU 136 22.050 -8.226 -0.160 1064 HA GLU 136 HA GLU 136 23.986 -10.141 -1.240 1065 HB2 GLU 136 2HB GLU 136 23.091 -8.320 -2.693 1066 HB3 GLU 136 1HB GLU 136 23.845 -7.144 -1.625 1067 HG2 GLU 136 2HG GLU 136 26.034 -8.342 -2.134 1068 HG3 GLU 136 1HG GLU 136 25.158 -9.134 -3.444 1069 H HIS 137 HN HIS 137 24.461 -6.887 0.073 1070 HA HIS 137 HA HIS 137 26.609 -7.963 1.782 1071 HD1 HIS 137 1HD HIS 137 29.196 -7.416 1.824 1072 HD2 HIS 137 2HD HIS 137 27.765 -3.531 2.249 1073 HE1 HIS 137 1HE HIS 137 30.861 -6.233 3.287 1074 HE2 HIS 137 2HE HIS 137 30.066 -3.848 3.395 1075 HB2 HIS 137 2HB HIS 137 27.348 -6.444 -0.057 1076 HB3 HIS 137 1HB HIS 137 26.348 -5.170 0.629 1077 H HIS 138 HN HIS 138 23.572 -7.251 2.011 1078 HA HIS 138 HA HIS 138 23.270 -5.183 3.879 1079 HD1 HIS 138 1HD HIS 138 19.932 -4.365 3.387 1080 HD2 HIS 138 2HD HIS 138 20.795 -7.196 6.312 1081 HE1 HIS 138 1HE HIS 138 18.475 -3.781 5.351 1082 HE2 HIS 138 2HE HIS 138 19.156 -5.392 7.164 1083 HB2 HIS 138 2HB HIS 138 21.422 -6.186 2.547 1084 HB3 HIS 138 1HB HIS 138 21.538 -7.642 3.527 1085 H HIS 139 HN HIS 139 24.168 -5.089 5.815 1086 HA HIS 139 HA HIS 139 25.001 -7.432 7.243 1087 HD1 HIS 139 1HD HIS 139 27.289 -6.555 9.831 1088 HD2 HIS 139 2HD HIS 139 27.483 -5.449 5.826 1089 HE1 HIS 139 1HE HIS 139 29.660 -7.015 9.113 1090 HE2 HIS 139 2HE HIS 139 29.690 -6.536 6.635 1091 HB2 HIS 139 2HB HIS 139 25.310 -4.523 7.555 1092 HB3 HIS 139 1HB HIS 139 25.220 -5.415 9.069 1093 H HIS 140 HN HIS 140 24.152 -8.350 9.020 1094 HA HIS 140 HA HIS 140 21.340 -8.081 9.406 1095 HD1 HIS 140 1HD HIS 140 20.509 -11.435 9.634 1096 HD2 HIS 140 2HD HIS 140 21.129 -9.263 13.126 1097 HE1 HIS 140 1HE HIS 140 18.625 -12.070 11.172 1098 HE2 HIS 140 2HE HIS 140 19.132 -10.898 13.344 1099 HB2 HIS 140 2HB HIS 140 22.688 -10.222 9.622 1100 HB3 HIS 140 1HB HIS 140 23.270 -9.608 11.165 1101 H HIS 141 HN HIS 141 20.344 -6.656 10.630 1102 HA HIS 141 HA HIS 141 21.812 -5.474 12.903 1103 HD1 HIS 141 1HD HIS 141 18.255 -2.996 13.077 1104 HD2 HIS 141 2HD HIS 141 22.372 -2.491 13.370 1105 HE1 HIS 141 1HE HIS 141 18.594 -1.206 14.805 1106 HE2 HIS 141 2HE HIS 141 21.096 -0.999 15.062 1107 HB2 HIS 141 2HB HIS 141 21.212 -3.868 11.097 1108 HB3 HIS 141 1HB HIS 141 19.516 -4.280 11.318 1109 H HIS 142 HN HIS 142 20.825 -5.428 14.908 1110 HA HIS 142 HA HIS 142 18.387 -7.006 15.208 1111 HD1 HIS 142 1HD HIS 142 22.081 -7.424 17.936 1112 HD2 HIS 142 2HD HIS 142 19.021 -9.324 15.861 1113 HE1 HIS 142 1HE HIS 142 22.853 -9.800 17.617 1114 HE2 HIS 142 2HE HIS 142 20.859 -10.983 16.615 1115 HB2 HIS 142 2HB HIS 142 20.312 -5.854 17.239 1116 HB3 HIS 142 1HB HIS 142 18.821 -6.674 17.678 Start of MODEL 11 1 HA MET 1 HA MET 1 7.222 -0.772 13.762 2 H1 MET 1 1HT MET 1 8.608 -2.194 12.466 3 H2 MET 1 2HT MET 1 9.012 -2.365 14.104 4 H3 MET 1 3HT MET 1 10.015 -1.471 13.070 5 HB2 MET 1 2HB MET 1 8.124 0.978 15.161 6 HB3 MET 1 1HB MET 1 8.808 -0.556 15.676 7 HG2 MET 1 2HG MET 1 10.871 -0.055 14.504 8 HG3 MET 1 1HG MET 1 10.187 1.457 13.913 9 HE1 MET 1 3HE MET 1 9.750 3.470 17.261 10 HE2 MET 1 1HE MET 1 8.559 2.424 16.489 11 HE3 MET 1 2HE MET 1 9.547 3.508 15.509 12 H ALA 2 HN ALA 2 6.623 1.357 13.052 13 HA ALA 2 HA ALA 2 8.301 2.429 10.872 14 HB1 ALA 2 1HB ALA 2 6.223 1.442 10.007 15 HB2 ALA 2 2HB ALA 2 6.273 3.188 9.757 16 HB3 ALA 2 3HB ALA 2 5.290 2.511 11.054 17 H ASN 3 HN ASN 3 5.669 3.333 13.084 18 HA ASN 3 HA ASN 3 7.197 5.243 14.461 19 HB2 ASN 3 2HB ASN 3 5.804 7.280 13.783 20 HB3 ASN 3 1HB ASN 3 7.060 6.760 12.673 21 HD21 ASN 3 1HD2 ASN 3 6.151 7.727 10.928 22 HD22 ASN 3 2HD2 ASN 3 4.688 7.169 10.185 23 H ASP 4 HN ASP 4 3.912 4.435 13.445 24 HA ASP 4 HA ASP 4 2.096 3.747 14.599 25 HB2 ASP 4 2HB ASP 4 3.507 2.282 15.901 26 HB3 ASP 4 1HB ASP 4 3.985 3.609 16.956 27 H THR 5 HN THR 5 0.610 5.238 14.669 28 HA THR 5 HA THR 5 0.968 7.618 16.322 29 HB THR 5 HB THR 5 -1.383 7.075 14.520 30 HG1 THR 5 1HG THR 5 1.200 8.056 13.795 31 HG21 THR 5 3HG2 THR 5 0.034 9.612 15.353 32 HG22 THR 5 1HG2 THR 5 -1.496 9.024 16.003 33 HG23 THR 5 2HG2 THR 5 -1.388 9.517 14.313 34 HA PRO 6 HA PRO 6 -1.784 5.573 19.239 35 HB2 PRO 6 2HB PRO 6 -1.146 7.485 21.225 36 HB3 PRO 6 1HB PRO 6 -0.436 5.885 21.023 37 HG2 PRO 6 2HG PRO 6 0.882 8.331 20.674 38 HG3 PRO 6 1HG PRO 6 1.467 6.743 20.150 39 HD2 PRO 6 2HD PRO 6 0.147 8.896 18.572 40 HD3 PRO 6 1HD PRO 6 1.373 7.712 18.070 41 H PHE 7 HN PHE 7 -2.023 8.620 17.856 42 HA PHE 7 HA PHE 7 -4.639 9.079 19.118 43 HD1 PHE 7 2HD PHE 7 -4.900 11.017 21.171 44 HD2 PHE 7 1HD PHE 7 -0.872 10.684 19.841 45 HE1 PHE 7 2HE PHE 7 -4.131 11.044 23.508 46 HE2 PHE 7 1HE PHE 7 -0.094 10.711 22.176 47 HZ PHE 7 HZ PHE 7 -1.727 10.894 24.013 48 HB2 PHE 7 2HB PHE 7 -2.600 11.159 18.296 49 HB3 PHE 7 1HB PHE 7 -4.236 11.524 18.833 50 H SER 8 HN SER 8 -5.665 11.013 17.600 51 HA SER 8 HA SER 8 -6.770 11.433 15.672 52 HG SER 8 HG SER 8 -5.140 11.291 12.513 53 HB2 SER 8 2HB SER 8 -4.410 11.637 14.752 54 HB3 SER 8 1HB SER 8 -4.557 9.968 14.208 55 H ALA 9 HN ALA 9 -8.488 10.115 16.273 56 HA ALA 9 HA ALA 9 -8.475 7.302 16.151 57 HB1 ALA 9 1HB ALA 9 -10.857 9.146 16.092 58 HB2 ALA 9 2HB ALA 9 -10.021 8.602 17.546 59 HB3 ALA 9 3HB ALA 9 -10.863 7.435 16.524 60 H LEU 10 HN LEU 10 -9.519 9.750 13.844 61 HA LEU 10 HA LEU 10 -10.783 8.029 12.007 62 HG LEU 10 HG LEU 10 -11.311 9.114 9.817 63 HB2 LEU 10 2HB LEU 10 -11.010 10.499 12.069 64 HB3 LEU 10 1HB LEU 10 -9.365 10.647 11.487 65 HD11 LEU 10 1HD1 LEU 10 -12.544 11.127 10.466 66 HD12 LEU 10 2HD1 LEU 10 -12.079 11.179 8.765 67 HD13 LEU 10 3HD1 LEU 10 -11.185 12.127 9.953 68 HD21 LEU 10 3HD2 LEU 10 -9.991 10.100 8.009 69 HD22 LEU 10 1HD2 LEU 10 -8.954 9.262 9.166 70 HD23 LEU 10 2HD2 LEU 10 -9.056 11.024 9.187 71 H TRP 11 HN TRP 11 -7.457 8.808 12.578 72 HA TRP 11 HA TRP 11 -6.518 7.516 10.162 73 HD1 TRP 11 1HD TRP 11 -2.927 8.082 13.180 74 HE1 TRP 11 1HE TRP 11 -0.919 6.957 12.044 75 HE3 TRP 11 3HE TRP 11 -4.838 7.616 8.467 76 HZ2 TRP 11 2HZ TRP 11 -0.233 5.989 9.476 77 HZ3 TRP 11 3HZ TRP 11 -3.441 6.577 6.727 78 HH2 TRP 11 2HH TRP 11 -1.187 5.782 7.226 79 HB2 TRP 11 2HB TRP 11 -5.259 9.406 10.798 80 HB3 TRP 11 1HB TRP 11 -5.197 8.906 12.480 81 H GLN 12 HN GLN 12 -6.213 6.990 13.666 82 HA GLN 12 HA GLN 12 -4.662 4.676 13.550 83 HB2 GLN 12 2HB GLN 12 -5.092 6.121 15.563 84 HB3 GLN 12 1HB GLN 12 -6.654 5.331 15.718 85 HG2 GLN 12 2HG GLN 12 -5.469 3.157 15.911 86 HG3 GLN 12 1HG GLN 12 -3.945 4.040 15.915 87 HE21 GLN 12 1HE2 GLN 12 -3.370 3.381 17.946 88 HE22 GLN 12 2HE2 GLN 12 -4.164 3.945 19.378 89 H ARG 13 HN ARG 13 -8.098 5.039 13.116 90 HA ARG 13 HA ARG 13 -8.962 2.462 13.753 91 HE ARG 13 HE ARG 13 -10.489 6.415 9.520 92 HB2 ARG 13 2HB ARG 13 -10.891 2.907 12.298 93 HB3 ARG 13 1HB ARG 13 -10.528 4.284 13.329 94 HG2 ARG 13 2HG ARG 13 -9.421 5.395 11.477 95 HG3 ARG 13 1HG ARG 13 -9.746 4.008 10.440 96 HD2 ARG 13 2HD ARG 13 -12.156 4.374 10.735 97 HD3 ARG 13 1HD ARG 13 -11.809 5.781 11.740 98 HH11 ARG 13 1HH1 ARG 13 -13.748 5.216 9.981 99 HH12 ARG 13 2HH1 ARG 13 -14.351 5.925 8.519 100 HH21 ARG 13 1HH2 ARG 13 -11.262 7.331 7.582 101 HH22 ARG 13 2HH2 ARG 13 -12.939 7.125 7.139 102 H LEU 14 HN LEU 14 -7.277 3.632 10.909 103 HA LEU 14 HA LEU 14 -7.787 1.297 9.322 104 HG LEU 14 HG LEU 14 -6.897 3.892 6.862 105 HB2 LEU 14 2HB LEU 14 -5.767 3.521 9.088 106 HB3 LEU 14 1HB LEU 14 -5.786 2.162 7.986 107 HD11 LEU 14 1HD1 LEU 14 -9.233 3.122 6.683 108 HD12 LEU 14 2HD1 LEU 14 -8.970 2.098 8.097 109 HD13 LEU 14 3HD1 LEU 14 -8.054 1.812 6.617 110 HD21 LEU 14 3HD2 LEU 14 -8.725 5.202 7.805 111 HD22 LEU 14 1HD2 LEU 14 -7.241 5.394 8.738 112 HD23 LEU 14 2HD2 LEU 14 -8.535 4.361 9.344 113 H LEU 15 HN LEU 15 -5.403 2.285 11.651 114 HA LEU 15 HA LEU 15 -3.425 0.345 11.005 115 HG LEU 15 HG LEU 15 -3.863 3.487 12.145 116 HB2 LEU 15 2HB LEU 15 -3.833 1.632 13.700 117 HB3 LEU 15 1HB LEU 15 -2.336 1.031 13.009 118 HD11 LEU 15 1HD1 LEU 15 -1.864 4.676 12.873 119 HD12 LEU 15 2HD1 LEU 15 -1.145 3.154 13.401 120 HD13 LEU 15 3HD1 LEU 15 -2.591 3.771 14.200 121 HD21 LEU 15 3HD2 LEU 15 -2.036 3.860 10.562 122 HD22 LEU 15 1HD2 LEU 15 -2.918 2.376 10.199 123 HD23 LEU 15 2HD2 LEU 15 -1.344 2.298 10.992 124 H THR 16 HN THR 16 -6.163 0.471 13.163 125 HA THR 16 HA THR 16 -5.734 -1.868 14.639 126 HB THR 16 HB THR 16 -8.379 -0.637 13.834 127 HG1 THR 16 1HG THR 16 -6.372 0.110 15.624 128 HG21 THR 16 3HG2 THR 16 -9.206 -1.618 15.933 129 HG22 THR 16 1HG2 THR 16 -7.637 -2.382 16.189 130 HG23 THR 16 2HG2 THR 16 -8.637 -2.859 14.818 131 H ARG 17 HN ARG 17 -6.795 -1.409 11.376 132 HA ARG 17 HA ARG 17 -8.108 -3.947 11.100 133 HE ARG 17 HE ARG 17 -10.466 -1.843 8.976 134 HB2 ARG 17 2HB ARG 17 -8.573 -1.848 9.751 135 HB3 ARG 17 1HB ARG 17 -7.073 -2.164 8.895 136 HG2 ARG 17 2HG ARG 17 -7.919 -4.185 7.982 137 HG3 ARG 17 1HG ARG 17 -9.343 -4.128 9.025 138 HD2 ARG 17 2HD ARG 17 -8.649 -2.222 6.793 139 HD3 ARG 17 1HD ARG 17 -9.953 -3.410 6.804 140 HH11 ARG 17 1HH1 ARG 17 -10.017 -1.233 5.560 141 HH12 ARG 17 2HH1 ARG 17 -10.993 0.198 5.556 142 HH21 ARG 17 1HH2 ARG 17 -11.735 0.042 8.998 143 HH22 ARG 17 2HH2 ARG 17 -11.990 0.921 7.519 144 H GLY 18 HN GLY 18 -4.926 -3.132 11.454 145 HA2 GLY 18 2HA GLY 18 -3.225 -4.811 11.470 146 HA3 GLY 18 1HA GLY 18 -4.063 -5.627 10.157 147 H TRP 19 HN TRP 19 -3.958 -2.303 9.745 148 HA TRP 19 HA TRP 19 -1.982 -2.607 7.613 149 HD1 TRP 19 1HD TRP 19 -3.860 -3.911 7.165 150 HE1 TRP 19 1HE TRP 19 -5.810 -4.554 5.623 151 HE3 TRP 19 3HE TRP 19 -5.484 0.767 5.931 152 HZ2 TRP 19 2HZ TRP 19 -7.778 -3.249 4.072 153 HZ3 TRP 19 3HZ TRP 19 -7.402 0.986 4.410 154 HH2 TRP 19 2HH TRP 19 -8.520 -0.984 3.496 155 HB2 TRP 19 2HB TRP 19 -4.006 -0.424 8.157 156 HB3 TRP 19 1HB TRP 19 -2.908 -0.460 6.781 157 H GLN 20 HN GLN 20 -0.068 -1.607 7.613 158 HA GLN 20 HA GLN 20 0.817 -0.475 10.099 159 HB2 GLN 20 2HB GLN 20 2.190 -1.179 7.514 160 HB3 GLN 20 1HB GLN 20 3.024 -0.363 8.817 161 HG2 GLN 20 2HG GLN 20 3.549 -2.629 9.065 162 HG3 GLN 20 1HG GLN 20 2.336 -2.295 10.298 163 HE21 GLN 20 1HE2 GLN 20 1.692 -4.418 10.460 164 HE22 GLN 20 2HE2 GLN 20 0.785 -5.215 9.223 165 HA PRO 21 HA PRO 21 0.438 3.752 8.723 166 HB2 PRO 21 2HB PRO 21 1.577 4.926 10.866 167 HB3 PRO 21 1HB PRO 21 -0.044 4.227 10.930 168 HG2 PRO 21 2HG PRO 21 2.533 3.136 11.953 169 HG3 PRO 21 1HG PRO 21 0.907 3.016 12.647 170 HD2 PRO 21 2HD PRO 21 2.173 1.019 11.200 171 HD3 PRO 21 1HD PRO 21 0.422 1.141 11.452 172 H VAL 22 HN VAL 22 1.844 3.964 6.990 173 HA VAL 22 HA VAL 22 4.707 4.047 7.617 174 HB VAL 22 HB VAL 22 5.087 3.908 5.171 175 HG11 VAL 22 1HG1 VAL 22 5.184 1.905 6.509 176 HG12 VAL 22 2HG1 VAL 22 4.440 1.538 4.953 177 HG13 VAL 22 3HG1 VAL 22 3.435 1.705 6.394 178 HG21 VAL 22 3HG2 VAL 22 2.101 3.492 5.048 179 HG22 VAL 22 1HG2 VAL 22 3.227 3.242 3.712 180 HG23 VAL 22 2HG2 VAL 22 2.995 4.858 4.380 181 H GLU 23 HN GLU 23 6.007 5.505 6.338 182 HA GLU 23 HA GLU 23 4.791 8.169 6.511 183 HB2 GLU 23 2HB GLU 23 6.641 7.134 8.183 184 HB3 GLU 23 1HB GLU 23 7.694 7.832 6.964 185 HG2 GLU 23 2HG GLU 23 5.748 9.741 7.513 186 HG3 GLU 23 1HG GLU 23 6.260 9.101 9.072 187 H ALA 24 HN ALA 24 7.017 9.575 5.601 188 HA ALA 24 HA ALA 24 6.854 8.961 2.757 189 HB1 ALA 24 1HB ALA 24 7.838 11.146 2.403 190 HB2 ALA 24 2HB ALA 24 8.162 11.307 4.129 191 HB3 ALA 24 3HB ALA 24 6.499 11.277 3.544 192 H SER 25 HN SER 25 9.110 8.922 5.393 193 HA SER 25 HA SER 25 11.328 8.284 3.612 194 HG SER 25 HG SER 25 13.466 8.752 4.763 195 HB2 SER 25 2HB SER 25 11.656 9.913 5.461 196 HB3 SER 25 1HB SER 25 11.313 8.627 6.619 197 H THR 26 HN THR 26 9.584 6.835 6.376 198 HA THR 26 HA THR 26 11.218 4.507 6.407 199 HB THR 26 HB THR 26 9.433 3.606 7.957 200 HG1 THR 26 1HG THR 26 8.023 5.432 8.700 201 HG21 THR 26 3HG2 THR 26 11.452 4.796 8.742 202 HG22 THR 26 1HG2 THR 26 10.056 5.084 9.782 203 HG23 THR 26 2HG2 THR 26 10.569 6.320 8.635 204 H VAL 27 HN VAL 27 8.601 5.398 4.424 205 HA VAL 27 HA VAL 27 7.341 2.917 4.037 206 HB VAL 27 HB VAL 27 6.392 5.064 3.245 207 HG11 VAL 27 1HG1 VAL 27 8.500 4.885 1.098 208 HG12 VAL 27 2HG1 VAL 27 8.387 6.113 2.360 209 HG13 VAL 27 3HG1 VAL 27 7.147 6.015 1.110 210 HG21 VAL 27 3HG2 VAL 27 5.521 2.968 2.365 211 HG22 VAL 27 1HG2 VAL 27 6.734 2.987 1.084 212 HG23 VAL 27 2HG2 VAL 27 5.482 4.227 1.131 213 H ASP 28 HN ASP 28 10.314 4.236 2.787 214 HA ASP 28 HA ASP 28 10.654 2.452 0.607 215 HB2 ASP 28 2HB ASP 28 11.881 4.668 1.067 216 HB3 ASP 28 1HB ASP 28 12.904 3.736 2.155 217 H ASP 29 HN ASP 29 11.782 2.465 3.953 218 HA ASP 29 HA ASP 29 13.298 0.075 3.756 219 HB2 ASP 29 2HB ASP 29 13.618 1.853 5.502 220 HB3 ASP 29 1HB ASP 29 12.122 1.309 6.254 221 H TRP 30 HN TRP 30 10.000 0.823 4.716 222 HA TRP 30 HA TRP 30 9.223 -1.622 5.783 223 HD1 TRP 30 1HD TRP 30 6.590 -1.450 7.404 224 HE1 TRP 30 1HE TRP 30 4.484 -2.874 6.995 225 HE3 TRP 30 3HE TRP 30 6.228 -0.942 2.329 226 HZ2 TRP 30 2HZ TRP 30 2.880 -3.669 4.816 227 HZ3 TRP 30 3HZ TRP 30 4.377 -2.062 1.158 228 HH2 TRP 30 2HH TRP 30 2.738 -3.400 2.378 229 HB2 TRP 30 2HB TRP 30 7.813 0.399 5.846 230 HB3 TRP 30 1HB TRP 30 7.556 0.275 4.109 231 H ILE 31 HN ILE 31 9.056 -0.518 2.410 232 HA ILE 31 HA ILE 31 7.993 -2.863 1.307 233 HB ILE 31 HB ILE 31 9.835 -0.839 0.018 234 HG12 ILE 31 2HG1 ILE 31 6.815 -1.042 -0.069 235 HG13 ILE 31 1HG1 ILE 31 7.705 0.056 0.980 236 HG21 ILE 31 1HG2 ILE 31 8.900 -1.645 -2.110 237 HG22 ILE 31 2HG2 ILE 31 8.032 -2.907 -1.238 238 HG23 ILE 31 3HG2 ILE 31 9.796 -2.901 -1.257 239 HD11 ILE 31 3HD1 ILE 31 8.637 1.175 -0.971 240 HD12 ILE 31 1HD1 ILE 31 6.873 1.191 -0.999 241 HD13 ILE 31 2HD1 ILE 31 7.762 0.067 -2.027 242 H LYS 32 HN LYS 32 11.346 -1.815 1.724 243 HA LYS 32 HA LYS 32 12.654 -3.987 0.555 244 HB2 LYS 32 2HB LYS 32 13.857 -1.981 1.161 245 HB3 LYS 32 1HB LYS 32 13.460 -2.200 2.859 246 HG2 LYS 32 2HG LYS 32 14.751 -4.427 2.635 247 HG3 LYS 32 1HG LYS 32 15.417 -3.698 1.173 248 HD2 LYS 32 2HD LYS 32 16.223 -1.804 2.461 249 HD3 LYS 32 1HD LYS 32 15.515 -2.485 3.922 250 HE2 LYS 32 2HE LYS 32 17.746 -3.665 2.279 251 HE3 LYS 32 1HE LYS 32 17.885 -2.938 3.879 252 HZ1 LYS 32 3HZ LYS 32 16.460 -4.713 4.751 253 HZ2 LYS 32 1HZ LYS 32 17.871 -5.331 4.040 254 HZ3 LYS 32 2HZ LYS 32 16.398 -5.423 3.215 255 H ARG 33 HN ARG 33 11.276 -3.571 3.734 256 HA ARG 33 HA ARG 33 12.588 -5.805 4.943 257 HE ARG 33 HE ARG 33 10.711 -5.625 10.246 258 HB2 ARG 33 2HB ARG 33 11.794 -3.802 6.164 259 HB3 ARG 33 1HB ARG 33 10.143 -4.269 5.819 260 HG2 ARG 33 2HG ARG 33 10.668 -6.445 7.017 261 HG3 ARG 33 1HG ARG 33 12.126 -5.632 7.599 262 HD2 ARG 33 2HD ARG 33 10.836 -3.941 8.682 263 HD3 ARG 33 1HD ARG 33 9.348 -4.525 7.937 264 HH11 ARG 33 1HH1 ARG 33 8.348 -6.180 7.720 265 HH12 ARG 33 2HH1 ARG 33 7.489 -7.406 8.601 266 HH21 ARG 33 1HH2 ARG 33 9.587 -7.233 11.415 267 HH22 ARG 33 2HH2 ARG 33 8.200 -8.002 10.711 268 H VAL 34 HN VAL 34 9.331 -5.169 3.729 269 HA VAL 34 HA VAL 34 8.456 -7.812 4.533 270 HB VAL 34 HB VAL 34 6.235 -7.176 3.738 271 HG11 VAL 34 1HG1 VAL 34 5.834 -5.323 5.307 272 HG12 VAL 34 2HG1 VAL 34 7.574 -5.067 5.426 273 HG13 VAL 34 3HG1 VAL 34 6.865 -6.578 5.997 274 HG21 VAL 34 3HG2 VAL 34 5.796 -4.913 2.897 275 HG22 VAL 34 1HG2 VAL 34 6.856 -5.815 1.813 276 HG23 VAL 34 2HG2 VAL 34 7.529 -4.584 2.883 277 H GLY 35 HN GLY 35 9.191 -6.138 1.516 278 HA2 GLY 35 2HA GLY 35 9.758 -7.079 -0.521 279 HA3 GLY 35 1HA GLY 35 9.397 -8.668 0.142 280 H ASP 36 HN ASP 36 6.877 -8.568 0.874 281 HA ASP 36 HA ASP 36 5.428 -7.936 -1.604 282 HB2 ASP 36 2HB ASP 36 4.824 -10.130 0.394 283 HB3 ASP 36 1HB ASP 36 4.003 -9.845 -1.131 284 H GLY 37 HN GLY 37 3.857 -6.471 -1.411 285 HA2 GLY 37 2HA GLY 37 1.996 -6.332 0.665 286 HA3 GLY 37 1HA GLY 37 3.300 -5.222 1.068 287 H VAL 38 HN VAL 38 0.952 -4.081 0.815 288 HA VAL 38 HA VAL 38 1.108 -2.731 -1.786 289 HB VAL 38 HB VAL 38 -1.401 -2.493 -1.745 290 HG11 VAL 38 1HG1 VAL 38 -0.265 -4.052 -3.253 291 HG12 VAL 38 2HG1 VAL 38 -1.820 -4.688 -2.720 292 HG13 VAL 38 3HG1 VAL 38 -0.327 -5.301 -2.009 293 HG21 VAL 38 3HG2 VAL 38 -2.682 -4.147 -0.470 294 HG22 VAL 38 1HG2 VAL 38 -1.785 -3.064 0.594 295 HG23 VAL 38 2HG2 VAL 38 -1.195 -4.701 0.302 296 H ILE 39 HN ILE 39 0.859 -0.564 -1.748 297 HA ILE 39 HA ILE 39 0.507 0.674 0.895 298 HB ILE 39 HB ILE 39 1.763 1.816 -1.612 299 HG12 ILE 39 2HG1 ILE 39 3.746 1.990 0.092 300 HG13 ILE 39 1HG1 ILE 39 2.875 0.730 0.955 301 HG21 ILE 39 1HG2 ILE 39 1.408 3.099 1.093 302 HG22 ILE 39 2HG2 ILE 39 0.575 3.554 -0.393 303 HG23 ILE 39 3HG2 ILE 39 2.319 3.777 -0.256 304 HD11 ILE 39 3HD1 ILE 39 4.574 -0.236 -0.453 305 HD12 ILE 39 1HD1 ILE 39 3.908 0.582 -1.867 306 HD13 ILE 39 2HD1 ILE 39 2.977 -0.679 -1.057 307 H LEU 40 HN LEU 40 -1.314 1.719 1.303 308 HA LEU 40 HA LEU 40 -3.083 2.437 -0.930 309 HG LEU 40 HG LEU 40 -3.855 -0.030 0.605 310 HB2 LEU 40 2HB LEU 40 -3.570 1.944 1.994 311 HB3 LEU 40 1HB LEU 40 -4.734 2.825 1.026 312 HD11 LEU 40 1HD1 LEU 40 -5.343 0.235 2.491 313 HD12 LEU 40 2HD1 LEU 40 -6.194 -0.534 1.150 314 HD13 LEU 40 3HD1 LEU 40 -6.465 1.174 1.505 315 HD21 LEU 40 3HD2 LEU 40 -5.843 1.630 -0.944 316 HD22 LEU 40 1HD2 LEU 40 -5.522 -0.089 -1.175 317 HD23 LEU 40 2HD2 LEU 40 -4.266 1.098 -1.528 318 H LEU 41 HN LEU 41 -3.303 4.512 -1.498 319 HA LEU 41 HA LEU 41 -2.169 6.594 0.149 320 HG LEU 41 HG LEU 41 -1.733 5.614 -2.852 321 HB2 LEU 41 2HB LEU 41 -3.827 6.818 -2.362 322 HB3 LEU 41 1HB LEU 41 -2.906 8.108 -1.618 323 HD11 LEU 41 1HD1 LEU 41 -0.902 7.110 -4.583 324 HD12 LEU 41 2HD1 LEU 41 -1.723 8.471 -3.817 325 HD13 LEU 41 3HD1 LEU 41 -2.665 7.151 -4.511 326 HD21 LEU 41 3HD2 LEU 41 0.417 6.716 -2.520 327 HD22 LEU 41 1HD2 LEU 41 -0.403 6.448 -0.982 328 HD23 LEU 41 2HD2 LEU 41 -0.390 8.056 -1.705 329 H SER 42 HN SER 42 -3.380 8.359 1.003 330 HA SER 42 HA SER 42 -5.608 7.707 2.496 331 HG SER 42 HG SER 42 -6.793 10.636 2.366 332 HB2 SER 42 2HB SER 42 -4.208 9.660 2.967 333 HB3 SER 42 1HB SER 42 -4.769 10.439 1.490 334 H SER 43 HN SER 43 -7.685 7.450 2.073 335 HA SER 43 HA SER 43 -8.777 7.352 -0.454 336 HG SER 43 HG SER 43 -9.993 5.282 1.117 337 HB2 SER 43 2HB SER 43 -10.284 7.853 2.121 338 HB3 SER 43 1HB SER 43 -10.923 7.123 0.648 339 H ASP 44 HN ASP 44 -8.616 9.085 -1.752 340 HA ASP 44 HA ASP 44 -10.273 11.401 -1.077 341 HB2 ASP 44 2HB ASP 44 -7.834 11.960 -0.685 342 HB3 ASP 44 1HB ASP 44 -7.557 11.656 -2.397 343 HA PRO 45 HA PRO 45 -12.050 10.093 -4.912 344 HB2 PRO 45 2HB PRO 45 -13.257 12.524 -5.522 345 HB3 PRO 45 1HB PRO 45 -13.958 11.253 -4.517 346 HG2 PRO 45 2HG PRO 45 -12.535 13.746 -3.704 347 HG3 PRO 45 1HG PRO 45 -13.935 12.956 -2.956 348 HD2 PRO 45 2HD PRO 45 -11.482 12.754 -1.895 349 HD3 PRO 45 1HD PRO 45 -12.622 11.392 -1.857 350 H ARG 46 HN ARG 46 -10.491 13.268 -4.783 351 HA ARG 46 HA ARG 46 -9.415 14.536 -6.319 352 HE ARG 46 HE ARG 46 -5.451 12.154 -3.659 353 HB2 ARG 46 2HB ARG 46 -8.323 11.810 -7.028 354 HB3 ARG 46 1HB ARG 46 -7.632 13.331 -7.587 355 HG2 ARG 46 2HG ARG 46 -7.293 13.989 -5.223 356 HG3 ARG 46 1HG ARG 46 -7.875 12.395 -4.736 357 HD2 ARG 46 2HD ARG 46 -6.030 11.336 -5.889 358 HD3 ARG 46 1HD ARG 46 -5.489 12.894 -6.516 359 HH11 ARG 46 1HH1 ARG 46 -4.122 13.848 -6.415 360 HH12 ARG 46 2HH1 ARG 46 -2.823 14.576 -5.505 361 HH21 ARG 46 1HH2 ARG 46 -3.720 13.089 -2.463 362 HH22 ARG 46 2HH2 ARG 46 -2.573 14.120 -3.270 363 H ARG 47 HN ARG 47 -11.181 15.273 -7.444 364 HA ARG 47 HA ARG 47 -12.178 15.921 -9.374 365 HE ARG 47 HE ARG 47 -10.264 16.581 -13.088 366 HB2 ARG 47 2HB ARG 47 -10.510 13.797 -10.725 367 HB3 ARG 47 1HB ARG 47 -11.488 15.001 -11.551 368 HG2 ARG 47 2HG ARG 47 -10.098 16.777 -10.633 369 HG3 ARG 47 1HG ARG 47 -9.130 15.578 -9.772 370 HD2 ARG 47 2HD ARG 47 -8.012 16.257 -11.814 371 HD3 ARG 47 1HD ARG 47 -8.497 14.565 -11.911 372 HH11 ARG 47 1HH1 ARG 47 -7.946 13.985 -13.527 373 HH12 ARG 47 2HH1 ARG 47 -8.315 13.778 -15.211 374 HH21 ARG 47 1HH2 ARG 47 -10.733 16.302 -15.313 375 HH22 ARG 47 2HH2 ARG 47 -9.873 15.107 -16.231 376 H THR 48 HN THR 48 -11.832 12.362 -9.537 377 HA THR 48 HA THR 48 -14.743 12.253 -9.990 378 HB THR 48 HB THR 48 -14.260 10.192 -11.397 379 HG1 THR 48 1HG THR 48 -11.946 10.226 -10.600 380 HG21 THR 48 3HG2 THR 48 -13.267 12.858 -12.408 381 HG22 THR 48 1HG2 THR 48 -14.948 12.328 -12.374 382 HG23 THR 48 2HG2 THR 48 -13.784 11.502 -13.408 383 HA PRO 49 HA PRO 49 -14.444 9.448 -6.492 384 HB2 PRO 49 2HB PRO 49 -17.333 9.419 -6.493 385 HB3 PRO 49 1HB PRO 49 -16.244 10.186 -5.336 386 HG2 PRO 49 2HG PRO 49 -17.874 11.568 -7.042 387 HG3 PRO 49 1HG PRO 49 -16.361 12.213 -6.380 388 HD2 PRO 49 2HD PRO 49 -16.900 11.030 -9.078 389 HD3 PRO 49 1HD PRO 49 -15.897 12.429 -8.637 390 H GLU 50 HN GLU 50 -14.944 8.769 -9.524 391 HA GLU 50 HA GLU 50 -16.612 6.519 -9.666 392 HB2 GLU 50 2HB GLU 50 -15.694 7.805 -11.607 393 HB3 GLU 50 1HB GLU 50 -14.121 7.092 -11.285 394 HG2 GLU 50 2HG GLU 50 -14.986 4.888 -11.759 395 HG3 GLU 50 1HG GLU 50 -16.604 5.550 -11.994 396 H VAL 51 HN VAL 51 -16.273 4.382 -9.248 397 HA VAL 51 HA VAL 51 -15.323 2.466 -8.452 398 HB VAL 51 HB VAL 51 -12.694 3.974 -8.422 399 HG11 VAL 51 1HG1 VAL 51 -11.637 1.782 -8.182 400 HG12 VAL 51 2HG1 VAL 51 -13.226 1.024 -8.071 401 HG13 VAL 51 3HG1 VAL 51 -12.690 2.138 -6.812 402 HG21 VAL 51 3HG2 VAL 51 -12.168 2.662 -10.427 403 HG22 VAL 51 1HG2 VAL 51 -13.584 3.684 -10.673 404 HG23 VAL 51 2HG2 VAL 51 -13.783 1.955 -10.386 405 H SER 52 HN SER 52 -14.604 5.511 -6.944 406 HA SER 52 HA SER 52 -15.230 6.304 -4.934 407 HG SER 52 HG SER 52 -17.196 4.432 -2.585 408 HB2 SER 52 2HB SER 52 -17.143 4.746 -4.985 409 HB3 SER 52 1HB SER 52 -16.135 3.498 -4.253 410 H ASP 53 HN ASP 53 -14.436 3.151 -3.543 411 HA ASP 53 HA ASP 53 -11.821 3.717 -2.720 412 HB2 ASP 53 2HB ASP 53 -12.716 5.638 -1.566 413 HB3 ASP 53 1HB ASP 53 -13.995 4.677 -0.846 414 H ASN 54 HN ASN 54 -14.367 2.821 -0.463 415 HA ASN 54 HA ASN 54 -14.896 0.902 0.614 416 HB2 ASN 54 2HB ASN 54 -14.323 -0.236 -2.127 417 HB3 ASN 54 1HB ASN 54 -15.041 -1.162 -0.814 418 HD21 ASN 54 1HD2 ASN 54 -16.939 -1.518 -1.944 419 HD22 ASN 54 2HD2 ASN 54 -18.096 -0.264 -2.228 420 HA PRO 55 HA PRO 55 -10.467 -0.246 1.315 421 HB2 PRO 55 2HB PRO 55 -10.245 0.574 3.859 422 HB3 PRO 55 1HB PRO 55 -10.139 1.709 2.509 423 HG2 PRO 55 2HG PRO 55 -12.443 1.138 4.326 424 HG3 PRO 55 1HG PRO 55 -11.860 2.698 3.714 425 HD2 PRO 55 2HD PRO 55 -13.993 1.316 2.655 426 HD3 PRO 55 1HD PRO 55 -13.015 2.488 1.752 427 H VAL 56 HN VAL 56 -13.417 -1.321 2.337 428 HA VAL 56 HA VAL 56 -12.287 -3.406 4.070 429 HB VAL 56 HB VAL 56 -15.199 -2.801 3.487 430 HG11 VAL 56 1HG1 VAL 56 -14.827 -5.123 4.124 431 HG12 VAL 56 2HG1 VAL 56 -15.665 -4.245 5.406 432 HG13 VAL 56 3HG1 VAL 56 -13.944 -4.598 5.559 433 HG21 VAL 56 3HG2 VAL 56 -14.165 -0.962 4.695 434 HG22 VAL 56 1HG2 VAL 56 -13.515 -2.086 5.888 435 HG23 VAL 56 2HG2 VAL 56 -15.258 -1.852 5.756 436 H MET 57 HN MET 57 -13.460 -2.777 0.920 437 HA MET 57 HA MET 57 -14.124 -5.510 0.273 438 HB2 MET 57 2HB MET 57 -15.215 -3.493 -0.775 439 HB3 MET 57 1HB MET 57 -13.702 -3.188 -1.616 440 HG2 MET 57 2HG MET 57 -15.283 -4.319 -3.060 441 HG3 MET 57 1HG MET 57 -13.885 -5.344 -2.739 442 HE1 MET 57 3HE MET 57 -15.320 -7.363 -3.731 443 HE2 MET 57 1HE MET 57 -16.772 -6.378 -3.912 444 HE3 MET 57 2HE MET 57 -16.851 -7.913 -3.049 445 H ILE 58 HN ILE 58 -11.348 -3.481 0.235 446 HA ILE 58 HA ILE 58 -9.839 -4.794 -1.759 447 HB ILE 58 HB ILE 58 -9.347 -2.516 -0.840 448 HG12 ILE 58 2HG1 ILE 58 -7.044 -4.479 -0.737 449 HG13 ILE 58 1HG1 ILE 58 -7.720 -3.791 -2.208 450 HG21 ILE 58 1HG2 ILE 58 -8.003 -2.342 1.197 451 HG22 ILE 58 2HG2 ILE 58 -8.210 -4.071 1.475 452 HG23 ILE 58 3HG2 ILE 58 -9.608 -2.996 1.524 453 HD11 ILE 58 3HD1 ILE 58 -5.674 -2.665 -1.585 454 HD12 ILE 58 1HD1 ILE 58 -6.352 -2.265 -0.006 455 HD13 ILE 58 2HD1 ILE 58 -7.045 -1.563 -1.467 456 H ALA 59 HN ALA 59 -10.644 -5.660 1.457 457 HA ALA 59 HA ALA 59 -8.480 -7.317 2.129 458 HB1 ALA 59 1HB ALA 59 -11.380 -7.679 2.880 459 HB2 ALA 59 2HB ALA 59 -10.236 -6.627 3.715 460 HB3 ALA 59 3HB ALA 59 -9.986 -8.373 3.709 461 H GLU 60 HN GLU 60 -11.514 -8.014 0.435 462 HA GLU 60 HA GLU 60 -11.044 -10.752 -0.020 463 HB2 GLU 60 2HB GLU 60 -13.250 -9.615 -0.230 464 HB3 GLU 60 1HB GLU 60 -12.672 -8.826 -1.690 465 HG2 GLU 60 2HG GLU 60 -12.448 -10.976 -2.791 466 HG3 GLU 60 1HG GLU 60 -12.966 -11.799 -1.319 467 H LEU 61 HN LEU 61 -10.026 -7.864 -1.686 468 HA LEU 61 HA LEU 61 -9.237 -8.920 -4.152 469 HG LEU 61 HG LEU 61 -7.874 -5.532 -4.878 470 HB2 LEU 61 2HB LEU 61 -9.339 -6.469 -3.218 471 HB3 LEU 61 1HB LEU 61 -7.679 -6.764 -2.762 472 HD11 LEU 61 1HD1 LEU 61 -6.752 -8.297 -5.266 473 HD12 LEU 61 2HD1 LEU 61 -5.921 -6.954 -4.485 474 HD13 LEU 61 3HD1 LEU 61 -6.340 -6.855 -6.195 475 HD21 LEU 61 3HD2 LEU 61 -8.717 -6.648 -6.874 476 HD22 LEU 61 1HD2 LEU 61 -9.974 -6.466 -5.651 477 HD23 LEU 61 2HD2 LEU 61 -9.202 -8.032 -5.894 478 H LEU 62 HN LEU 62 -7.272 -8.296 -1.256 479 HA LEU 62 HA LEU 62 -4.927 -9.488 -2.317 480 HG LEU 62 HG LEU 62 -5.559 -6.827 -0.826 481 HB2 LEU 62 2HB LEU 62 -5.673 -8.860 0.534 482 HB3 LEU 62 1HB LEU 62 -4.071 -9.318 -0.005 483 HD11 LEU 62 1HD1 LEU 62 -3.167 -7.216 0.961 484 HD12 LEU 62 2HD1 LEU 62 -4.787 -6.752 1.476 485 HD13 LEU 62 3HD1 LEU 62 -3.838 -5.664 0.464 486 HD21 LEU 62 3HD2 LEU 62 -3.484 -6.182 -1.934 487 HD22 LEU 62 1HD2 LEU 62 -4.135 -7.670 -2.623 488 HD23 LEU 62 2HD2 LEU 62 -2.767 -7.737 -1.511 489 H ARG 63 HN ARG 63 -7.629 -10.752 -0.539 490 HA ARG 63 HA ARG 63 -6.415 -13.146 0.367 491 HE ARG 63 HE ARG 63 -9.051 -11.635 4.247 492 HB2 ARG 63 2HB ARG 63 -9.284 -12.376 -0.101 493 HB3 ARG 63 1HB ARG 63 -8.827 -13.976 0.466 494 HG2 ARG 63 2HG ARG 63 -7.742 -12.960 2.412 495 HG3 ARG 63 1HG ARG 63 -8.253 -11.367 1.849 496 HD2 ARG 63 2HD ARG 63 -10.568 -11.979 2.066 497 HD3 ARG 63 1HD ARG 63 -10.131 -13.639 2.464 498 HH11 ARG 63 1HH1 ARG 63 -11.671 -13.874 3.592 499 HH12 ARG 63 2HH1 ARG 63 -12.211 -13.913 5.245 500 HH21 ARG 63 1HH2 ARG 63 -9.770 -11.691 6.425 501 HH22 ARG 63 2HH2 ARG 63 -11.144 -12.668 6.844 502 H GLU 64 HN GLU 64 -7.273 -12.134 -2.747 503 HA GLU 64 HA GLU 64 -7.860 -14.773 -3.763 504 HB2 GLU 64 2HB GLU 64 -8.771 -12.520 -4.644 505 HB3 GLU 64 1HB GLU 64 -7.210 -12.355 -5.432 506 HG2 GLU 64 2HG GLU 64 -8.892 -13.256 -6.944 507 HG3 GLU 64 1HG GLU 64 -7.583 -14.407 -6.666 508 H PHE 65 HN PHE 65 -5.125 -13.051 -2.906 509 HA PHE 65 HA PHE 65 -3.444 -14.780 -4.592 510 HD1 PHE 65 2HD PHE 65 -3.561 -13.720 -6.589 511 HD2 PHE 65 1HD PHE 65 -3.157 -10.154 -4.308 512 HE1 PHE 65 2HE PHE 65 -4.563 -12.434 -8.431 513 HE2 PHE 65 1HE PHE 65 -4.168 -8.862 -6.139 514 HZ PHE 65 HZ PHE 65 -4.871 -10.005 -8.208 515 HB2 PHE 65 2HB PHE 65 -2.579 -12.158 -3.350 516 HB3 PHE 65 1HB PHE 65 -1.694 -13.131 -4.517 517 HA PRO 66 HA PRO 66 -2.819 -16.063 -0.222 518 HB2 PRO 66 2HB PRO 66 -3.178 -18.681 -0.535 519 HB3 PRO 66 1HB PRO 66 -4.559 -17.578 -0.534 520 HG2 PRO 66 2HG PRO 66 -3.160 -18.853 -2.848 521 HG3 PRO 66 1HG PRO 66 -4.899 -18.636 -2.574 522 HD2 PRO 66 2HD PRO 66 -3.337 -16.990 -4.156 523 HD3 PRO 66 1HD PRO 66 -4.877 -16.512 -3.413 524 H GLN 67 HN GLN 67 -1.016 -15.971 -2.811 525 HA GLN 67 HA GLN 67 0.881 -18.051 -2.525 526 HB2 GLN 67 2HB GLN 67 1.271 -15.307 -3.737 527 HB3 GLN 67 1HB GLN 67 2.262 -16.729 -4.029 528 HG2 GLN 67 2HG GLN 67 0.391 -17.842 -5.101 529 HG3 GLN 67 1HG GLN 67 -0.645 -16.456 -4.763 530 HE21 GLN 67 1HE2 GLN 67 1.957 -17.696 -6.690 531 HE22 GLN 67 2HE2 GLN 67 1.951 -16.429 -7.873 532 H PHE 68 HN PHE 68 0.698 -14.740 -1.335 533 HA PHE 68 HA PHE 68 2.917 -15.329 0.508 534 HD1 PHE 68 2HD PHE 68 4.701 -14.903 -1.855 535 HD2 PHE 68 1HD PHE 68 1.751 -11.886 -2.295 536 HE1 PHE 68 2HE PHE 68 5.061 -14.922 -4.288 537 HE2 PHE 68 1HE PHE 68 2.097 -11.887 -4.729 538 HZ PHE 68 HZ PHE 68 3.758 -13.411 -5.732 539 HB2 PHE 68 2HB PHE 68 2.441 -12.490 -0.178 540 HB3 PHE 68 1HB PHE 68 3.957 -13.350 0.052 541 H ASP 69 HN ASP 69 2.823 -13.996 2.509 542 HA ASP 69 HA ASP 69 0.089 -13.362 3.306 543 HB2 ASP 69 2HB ASP 69 1.390 -14.599 4.947 544 HB3 ASP 69 1HB ASP 69 2.670 -13.392 4.891 545 H TRP 70 HN TRP 70 -0.541 -11.486 2.499 546 HA TRP 70 HA TRP 70 1.359 -9.448 1.834 547 HD1 TRP 70 1HD TRP 70 -0.782 -12.016 0.416 548 HE1 TRP 70 1HE TRP 70 -0.326 -12.393 -2.084 549 HE3 TRP 70 3HE TRP 70 -0.052 -7.165 -1.009 550 HZ2 TRP 70 2HZ TRP 70 0.259 -10.834 -4.370 551 HZ3 TRP 70 3HZ TRP 70 0.452 -6.692 -3.369 552 HH2 TRP 70 2HH TRP 70 0.606 -8.491 -5.015 553 HB2 TRP 70 2HB TRP 70 -1.649 -9.539 1.632 554 HB3 TRP 70 1HB TRP 70 -0.674 -8.184 1.081 555 H GLN 71 HN GLN 71 1.486 -7.396 2.612 556 HA GLN 71 HA GLN 71 0.077 -6.823 5.125 557 HB2 GLN 71 2HB GLN 71 2.944 -6.227 4.380 558 HB3 GLN 71 1HB GLN 71 2.121 -5.422 5.710 559 HG2 GLN 71 2HG GLN 71 2.596 -7.105 7.056 560 HG3 GLN 71 1HG GLN 71 1.756 -8.228 5.990 561 HE21 GLN 71 1HE2 GLN 71 3.598 -7.730 3.766 562 HE22 GLN 71 2HE2 GLN 71 5.048 -8.570 4.173 563 H VAL 72 HN VAL 72 -0.945 -4.900 5.206 564 HA VAL 72 HA VAL 72 -0.792 -3.253 2.780 565 HB VAL 72 HB VAL 72 -2.973 -3.192 4.859 566 HG11 VAL 72 1HG1 VAL 72 -2.852 -2.202 2.016 567 HG12 VAL 72 2HG1 VAL 72 -2.839 -1.210 3.475 568 HG13 VAL 72 3HG1 VAL 72 -4.275 -2.147 3.056 569 HG21 VAL 72 3HG2 VAL 72 -4.309 -4.584 3.359 570 HG22 VAL 72 1HG2 VAL 72 -2.871 -5.438 3.921 571 HG23 VAL 72 2HG2 VAL 72 -2.920 -4.769 2.290 572 H ALA 73 HN ALA 73 0.091 -1.312 2.922 573 HA ALA 73 HA ALA 73 0.399 -0.135 5.601 574 HB1 ALA 73 1HB ALA 73 2.346 1.053 4.713 575 HB2 ALA 73 2HB ALA 73 2.098 0.290 3.143 576 HB3 ALA 73 3HB ALA 73 2.529 -0.690 4.543 577 H VAL 74 HN VAL 74 -0.392 1.860 5.964 578 HA VAL 74 HA VAL 74 -1.626 3.238 3.669 579 HB VAL 74 HB VAL 74 -3.244 4.205 5.368 580 HG11 VAL 74 1HG1 VAL 74 -3.855 2.485 3.733 581 HG12 VAL 74 2HG1 VAL 74 -4.726 2.281 5.253 582 HG13 VAL 74 3HG1 VAL 74 -3.359 1.232 4.873 583 HG21 VAL 74 3HG2 VAL 74 -3.623 2.884 7.410 584 HG22 VAL 74 1HG2 VAL 74 -2.026 3.634 7.400 585 HG23 VAL 74 2HG2 VAL 74 -2.197 1.917 7.038 586 H ALA 75 HN ALA 75 -1.600 5.495 3.671 587 HA ALA 75 HA ALA 75 0.416 6.667 5.470 588 HB1 ALA 75 1HB ALA 75 1.147 8.081 3.655 589 HB2 ALA 75 2HB ALA 75 -0.107 7.429 2.599 590 HB3 ALA 75 3HB ALA 75 1.214 6.393 3.145 591 H ASP 76 HN ASP 76 0.046 8.692 6.272 592 HA ASP 76 HA ASP 76 -2.552 9.637 6.659 593 HB2 ASP 76 2HB ASP 76 -0.691 10.242 8.124 594 HB3 ASP 76 1HB ASP 76 0.097 11.102 6.807 595 H LEU 77 HN LEU 77 -3.425 11.788 5.870 596 HA LEU 77 HA LEU 77 -3.660 11.626 3.087 597 HG LEU 77 HG LEU 77 -3.581 14.989 4.705 598 HB2 LEU 77 2HB LEU 77 -5.033 13.575 3.152 599 HB3 LEU 77 1HB LEU 77 -5.399 12.590 4.550 600 HD11 LEU 77 1HD1 LEU 77 -5.755 15.714 3.863 601 HD12 LEU 77 2HD1 LEU 77 -5.520 16.231 5.533 602 HD13 LEU 77 3HD1 LEU 77 -6.558 14.850 5.175 603 HD21 LEU 77 3HD2 LEU 77 -4.215 14.903 7.081 604 HD22 LEU 77 1HD2 LEU 77 -3.405 13.426 6.556 605 HD23 LEU 77 2HD2 LEU 77 -5.156 13.446 6.763 606 H GLU 78 HN GLU 78 -1.562 13.628 5.081 607 HA GLU 78 HA GLU 78 -0.572 15.136 2.835 608 HB2 GLU 78 2HB GLU 78 -0.523 16.024 5.146 609 HB3 GLU 78 1HB GLU 78 0.625 14.771 5.588 610 HG2 GLU 78 2HG GLU 78 1.717 16.918 5.190 611 HG3 GLU 78 1HG GLU 78 2.262 15.680 4.058 612 H GLN 79 HN GLN 79 0.564 12.405 4.768 613 HA GLN 79 HA GLN 79 3.021 11.966 3.544 614 HB2 GLN 79 2HB GLN 79 1.099 10.268 5.042 615 HB3 GLN 79 1HB GLN 79 2.314 9.433 4.089 616 HG2 GLN 79 2HG GLN 79 3.166 9.598 6.271 617 HG3 GLN 79 1HG GLN 79 4.050 10.770 5.300 618 HE21 GLN 79 1HE2 GLN 79 3.510 10.552 8.209 619 HE22 GLN 79 2HE2 GLN 79 2.832 12.081 8.655 620 H SER 80 HN SER 80 -0.208 11.013 2.530 621 HA SER 80 HA SER 80 0.493 9.215 0.490 622 HG SER 80 HG SER 80 -1.528 9.493 2.433 623 HB2 SER 80 2HB SER 80 -1.920 11.034 0.668 624 HB3 SER 80 1HB SER 80 -1.767 9.634 -0.394 625 H GLU 81 HN GLU 81 0.260 12.720 0.512 626 HA GLU 81 HA GLU 81 0.470 13.062 -2.303 627 HB2 GLU 81 2HB GLU 81 -0.408 14.756 -0.662 628 HB3 GLU 81 1HB GLU 81 1.244 15.010 -0.129 629 HG2 GLU 81 2HG GLU 81 0.618 16.745 -1.651 630 HG3 GLU 81 1HG GLU 81 1.843 15.724 -2.403 631 H ALA 82 HN ALA 82 2.754 13.008 0.378 632 HA ALA 82 HA ALA 82 5.064 13.620 -1.135 633 HB1 ALA 82 1HB ALA 82 4.882 12.096 1.461 634 HB2 ALA 82 2HB ALA 82 4.959 13.852 1.306 635 HB3 ALA 82 3HB ALA 82 6.324 12.860 0.791 636 H ILE 83 HN ILE 83 3.669 10.529 -0.064 637 HA ILE 83 HA ILE 83 5.616 8.877 -1.271 638 HB ILE 83 HB ILE 83 2.742 8.313 -0.529 639 HG12 ILE 83 2HG1 ILE 83 5.363 7.631 0.826 640 HG13 ILE 83 1HG1 ILE 83 4.212 8.849 1.360 641 HG21 ILE 83 1HG2 ILE 83 3.425 6.764 -2.270 642 HG22 ILE 83 2HG2 ILE 83 3.304 5.935 -0.718 643 HG23 ILE 83 3HG2 ILE 83 4.887 6.364 -1.366 644 HD11 ILE 83 3HD1 ILE 83 4.044 6.825 2.689 645 HD12 ILE 83 1HD1 ILE 83 3.713 5.883 1.235 646 HD13 ILE 83 2HD1 ILE 83 2.561 7.102 1.775 647 H GLY 84 HN GLY 84 2.571 10.233 -2.435 648 HA2 GLY 84 2HA GLY 84 2.471 8.953 -4.934 649 HA3 GLY 84 1HA GLY 84 1.767 10.523 -4.567 650 H ASP 85 HN ASP 85 4.292 11.723 -3.811 651 HA ASP 85 HA ASP 85 5.306 12.457 -6.390 652 HB2 ASP 85 2HB ASP 85 5.135 13.995 -4.400 653 HB3 ASP 85 1HB ASP 85 6.441 13.089 -3.655 654 H ARG 86 HN ARG 86 6.551 10.707 -3.586 655 HA ARG 86 HA ARG 86 9.129 10.162 -4.383 656 HE ARG 86 HE ARG 86 11.261 6.327 -1.993 657 HB2 ARG 86 2HB ARG 86 8.481 9.642 -2.172 658 HB3 ARG 86 1HB ARG 86 7.180 8.597 -2.710 659 HG2 ARG 86 2HG ARG 86 8.979 7.290 -1.791 660 HG3 ARG 86 1HG ARG 86 8.824 6.970 -3.515 661 HD2 ARG 86 2HD ARG 86 10.713 8.445 -3.968 662 HD3 ARG 86 1HD ARG 86 10.848 8.817 -2.248 663 HH11 ARG 86 1HH1 ARG 86 12.133 8.106 -4.892 664 HH12 ARG 86 2HH1 ARG 86 13.402 6.997 -5.330 665 HH21 ARG 86 1HH2 ARG 86 12.956 4.897 -2.556 666 HH22 ARG 86 2HH2 ARG 86 13.867 5.191 -4.011 667 H PHE 87 HN PHE 87 6.191 8.422 -5.297 668 HA PHE 87 HA PHE 87 7.836 6.588 -6.902 669 HD1 PHE 87 2HD PHE 87 8.190 4.568 -5.833 670 HD2 PHE 87 1HD PHE 87 4.534 5.685 -3.974 671 HE1 PHE 87 2HE PHE 87 8.865 3.381 -3.786 672 HE2 PHE 87 1HE PHE 87 5.211 4.502 -1.925 673 HZ PHE 87 HZ PHE 87 7.378 3.346 -1.835 674 HB2 PHE 87 2HB PHE 87 4.926 6.372 -6.100 675 HB3 PHE 87 1HB PHE 87 5.792 5.196 -7.079 676 H ASN 88 HN ASN 88 6.100 9.381 -7.179 677 HA ASN 88 HA ASN 88 5.041 10.535 -8.790 678 HB2 ASN 88 2HB ASN 88 7.062 8.967 -10.314 679 HB3 ASN 88 1HB ASN 88 5.899 9.955 -11.196 680 HD21 ASN 88 1HD2 ASN 88 8.577 9.952 -8.995 681 HD22 ASN 88 2HD2 ASN 88 8.871 11.659 -9.022 682 H VAL 89 HN VAL 89 3.325 9.061 -7.900 683 HA VAL 89 HA VAL 89 1.896 7.894 -10.208 684 HB VAL 89 HB VAL 89 1.477 7.041 -7.332 685 HG11 VAL 89 1HG1 VAL 89 0.668 5.780 -9.952 686 HG12 VAL 89 2HG1 VAL 89 -0.398 6.591 -8.805 687 HG13 VAL 89 3HG1 VAL 89 0.395 5.081 -8.357 688 HG21 VAL 89 3HG2 VAL 89 3.773 6.471 -7.970 689 HG22 VAL 89 1HG2 VAL 89 3.170 5.641 -9.404 690 HG23 VAL 89 2HG2 VAL 89 2.774 5.028 -7.798 691 H ARG 90 HN ARG 90 2.146 10.583 -8.865 692 HA ARG 90 HA ARG 90 -0.270 11.071 -7.427 693 HE ARG 90 HE ARG 90 2.581 14.891 -8.497 694 HB2 ARG 90 2HB ARG 90 1.904 12.333 -7.181 695 HB3 ARG 90 1HB ARG 90 1.541 13.106 -8.715 696 HG2 ARG 90 2HG ARG 90 -0.740 13.642 -7.448 697 HG3 ARG 90 1HG ARG 90 0.330 13.514 -6.052 698 HD2 ARG 90 2HD ARG 90 0.324 15.491 -8.271 699 HD3 ARG 90 1HD ARG 90 0.572 15.735 -6.542 700 HH11 ARG 90 1HH1 ARG 90 1.776 15.707 -5.181 701 HH12 ARG 90 2HH1 ARG 90 3.444 15.931 -4.710 702 HH21 ARG 90 1HH2 ARG 90 4.739 15.152 -7.888 703 HH22 ARG 90 2HH2 ARG 90 5.134 15.601 -6.252 704 H ARG 91 HN ARG 91 -1.799 10.252 -8.984 705 HA ARG 91 HA ARG 91 -2.661 12.385 -10.787 706 HE ARG 91 HE ARG 91 0.265 8.899 -12.839 707 HB2 ARG 91 2HB ARG 91 -2.250 9.502 -11.574 708 HB3 ARG 91 1HB ARG 91 -3.339 10.564 -12.457 709 HG2 ARG 91 2HG ARG 91 -1.500 12.059 -12.974 710 HG3 ARG 91 1HG ARG 91 -0.397 11.054 -12.036 711 HD2 ARG 91 2HD ARG 91 -1.959 10.023 -14.390 712 HD3 ARG 91 1HD ARG 91 -0.352 10.731 -14.544 713 HH11 ARG 91 1HH1 ARG 91 -2.093 8.575 -15.406 714 HH12 ARG 91 2HH1 ARG 91 -1.879 6.852 -15.557 715 HH21 ARG 91 1HH2 ARG 91 0.606 6.671 -13.077 716 HH22 ARG 91 2HH2 ARG 91 -0.301 5.771 -14.262 717 H PHE 92 HN PHE 92 -3.427 9.299 -9.255 718 HA PHE 92 HA PHE 92 -6.001 10.292 -8.412 719 HD1 PHE 92 2HD PHE 92 -4.627 8.727 -11.977 720 HD2 PHE 92 1HD PHE 92 -6.544 6.115 -9.214 721 HE1 PHE 92 2HE PHE 92 -3.547 6.797 -13.053 722 HE2 PHE 92 1HE PHE 92 -5.463 4.184 -10.286 723 HZ PHE 92 HZ PHE 92 -3.962 4.522 -12.207 724 HB2 PHE 92 2HB PHE 92 -7.245 8.381 -9.414 725 HB3 PHE 92 1HB PHE 92 -6.569 9.450 -10.635 726 HA PRO 93 HA PRO 93 -5.255 7.501 -4.991 727 HB2 PRO 93 2HB PRO 93 -7.700 6.273 -4.679 728 HB3 PRO 93 1HB PRO 93 -7.314 7.885 -4.065 729 HG2 PRO 93 2HG PRO 93 -8.753 7.103 -6.570 730 HG3 PRO 93 1HG PRO 93 -9.129 8.402 -5.422 731 HD2 PRO 93 2HD PRO 93 -7.913 8.914 -7.757 732 HD3 PRO 93 1HD PRO 93 -7.485 9.804 -6.281 733 H ALA 94 HN ALA 94 -4.226 5.567 -4.971 734 HA ALA 94 HA ALA 94 -5.186 3.360 -6.587 735 HB1 ALA 94 1HB ALA 94 -3.960 4.703 -8.227 736 HB2 ALA 94 2HB ALA 94 -3.163 3.159 -7.922 737 HB3 ALA 94 3HB ALA 94 -2.525 4.638 -7.203 738 H THR 95 HN THR 95 -4.102 1.408 -6.169 739 HA THR 95 HA THR 95 -2.624 1.371 -3.642 740 HB THR 95 HB THR 95 -3.646 -1.023 -5.174 741 HG1 THR 95 1HG THR 95 -5.035 0.814 -3.558 742 HG21 THR 95 3HG2 THR 95 -2.064 -1.488 -3.378 743 HG22 THR 95 1HG2 THR 95 -3.676 -2.056 -2.941 744 HG23 THR 95 2HG2 THR 95 -3.050 -0.560 -2.249 745 H LEU 96 HN LEU 96 -0.476 0.870 -3.610 746 HA LEU 96 HA LEU 96 0.794 0.316 -6.176 747 HG LEU 96 HG LEU 96 3.007 2.893 -4.712 748 HB2 LEU 96 2HB LEU 96 1.929 1.000 -3.468 749 HB3 LEU 96 1HB LEU 96 2.928 0.531 -4.829 750 HD11 LEU 96 1HD1 LEU 96 2.776 1.981 -6.963 751 HD12 LEU 96 2HD1 LEU 96 2.067 3.591 -6.833 752 HD13 LEU 96 3HD1 LEU 96 1.026 2.166 -6.858 753 HD21 LEU 96 3HD2 LEU 96 1.015 4.316 -4.717 754 HD22 LEU 96 1HD2 LEU 96 1.079 3.283 -3.290 755 HD23 LEU 96 2HD2 LEU 96 -0.006 2.881 -4.620 756 H VAL 97 HN VAL 97 1.436 -1.629 -6.777 757 HA VAL 97 HA VAL 97 1.044 -3.818 -4.870 758 HB VAL 97 HB VAL 97 1.303 -3.957 -7.879 759 HG11 VAL 97 1HG1 VAL 97 1.943 -6.032 -6.809 760 HG12 VAL 97 2HG1 VAL 97 0.381 -6.226 -7.604 761 HG13 VAL 97 3HG1 VAL 97 0.463 -6.029 -5.853 762 HG21 VAL 97 3HG2 VAL 97 -1.122 -4.304 -7.897 763 HG22 VAL 97 1HG2 VAL 97 -0.700 -2.729 -7.224 764 HG23 VAL 97 2HG2 VAL 97 -1.172 -4.049 -6.153 765 H PHE 98 HN PHE 98 2.885 -4.173 -3.789 766 HA PHE 98 HA PHE 98 5.358 -4.436 -5.344 767 HD1 PHE 98 2HD PHE 98 7.919 -3.510 -4.457 768 HD2 PHE 98 1HD PHE 98 4.473 -1.363 -3.191 769 HE1 PHE 98 2HE PHE 98 8.932 -1.428 -5.257 770 HE2 PHE 98 1HE PHE 98 5.480 0.734 -3.994 771 HZ PHE 98 HZ PHE 98 7.718 0.706 -5.028 772 HB2 PHE 98 2HB PHE 98 4.799 -3.624 -2.533 773 HB3 PHE 98 1HB PHE 98 6.313 -4.463 -2.868 774 H THR 99 HN THR 99 6.245 -6.325 -5.612 775 HA THR 99 HA THR 99 5.583 -8.555 -3.829 776 HB THR 99 HB THR 99 5.341 -10.044 -5.868 777 HG1 THR 99 1HG THR 99 6.126 -8.095 -7.208 778 HG21 THR 99 3HG2 THR 99 3.222 -7.928 -5.478 779 HG22 THR 99 1HG2 THR 99 3.398 -9.401 -4.526 780 HG23 THR 99 2HG2 THR 99 2.980 -9.500 -6.238 781 H ASP 100 HN ASP 100 7.304 -9.820 -3.436 782 HA ASP 100 HA ASP 100 9.461 -10.574 -3.425 783 HB2 ASP 100 2HB ASP 100 8.716 -11.231 -5.799 784 HB3 ASP 100 1HB ASP 100 9.635 -9.841 -6.345 785 H GLY 101 HN GLY 101 8.802 -7.687 -3.055 786 HA2 GLY 101 2HA GLY 101 10.105 -5.882 -2.412 787 HA3 GLY 101 1HA GLY 101 11.516 -6.696 -3.072 788 H LYS 102 HN LYS 102 9.315 -6.840 -5.499 789 HA LYS 102 HA LYS 102 10.331 -4.307 -6.625 790 HB2 LYS 102 2HB LYS 102 9.635 -6.874 -8.057 791 HB3 LYS 102 1HB LYS 102 10.093 -5.377 -8.854 792 HG2 LYS 102 2HG LYS 102 12.256 -5.501 -7.542 793 HG3 LYS 102 1HG LYS 102 11.782 -7.149 -7.117 794 HD2 LYS 102 2HD LYS 102 13.035 -7.551 -8.995 795 HD3 LYS 102 1HD LYS 102 11.439 -7.361 -9.720 796 HE2 LYS 102 2HE LYS 102 13.591 -5.254 -9.535 797 HE3 LYS 102 1HE LYS 102 13.107 -6.124 -10.986 798 HZ1 LYS 102 3HZ LYS 102 11.496 -4.154 -9.455 799 HZ2 LYS 102 1HZ LYS 102 10.871 -5.102 -10.718 800 HZ3 LYS 102 2HZ LYS 102 12.109 -3.986 -11.025 801 H LEU 103 HN LEU 103 9.001 -3.075 -7.948 802 HA LEU 103 HA LEU 103 6.178 -3.229 -7.284 803 HG LEU 103 HG LEU 103 5.327 -1.136 -9.439 804 HB2 LEU 103 2HB LEU 103 7.355 -1.079 -7.204 805 HB3 LEU 103 1HB LEU 103 7.763 -1.225 -8.902 806 HD11 LEU 103 1HD1 LEU 103 5.059 -0.450 -6.518 807 HD12 LEU 103 2HD1 LEU 103 4.456 -1.910 -7.303 808 HD13 LEU 103 3HD1 LEU 103 3.782 -0.338 -7.729 809 HD21 LEU 103 3HD2 LEU 103 5.108 1.258 -9.086 810 HD22 LEU 103 1HD2 LEU 103 6.752 0.851 -9.574 811 HD23 LEU 103 2HD2 LEU 103 6.398 1.215 -7.885 812 H ARG 104 HN ARG 104 4.652 -4.050 -8.598 813 HA ARG 104 HA ARG 104 5.445 -4.744 -11.334 814 HE ARG 104 HE ARG 104 4.627 -7.334 -12.441 815 HB2 ARG 104 2HB ARG 104 3.028 -5.593 -9.731 816 HB3 ARG 104 1HB ARG 104 3.381 -6.113 -11.374 817 HG2 ARG 104 2HG ARG 104 4.963 -6.726 -8.886 818 HG3 ARG 104 1HG ARG 104 4.017 -7.850 -9.863 819 HD2 ARG 104 2HD ARG 104 6.501 -6.379 -10.738 820 HD3 ARG 104 1HD ARG 104 6.401 -8.084 -10.313 821 HH11 ARG 104 1HH1 ARG 104 7.870 -8.384 -11.640 822 HH12 ARG 104 2HH1 ARG 104 8.199 -9.013 -13.223 823 HH21 ARG 104 1HH2 ARG 104 5.071 -8.124 -14.545 824 HH22 ARG 104 2HH2 ARG 104 6.625 -8.827 -14.878 825 H GLY 105 HN GLY 105 3.281 -2.723 -9.510 826 HA2 GLY 105 2HA GLY 105 2.946 -0.714 -11.267 827 HA3 GLY 105 1HA GLY 105 1.771 -1.893 -11.835 828 H ALA 106 HN ALA 106 0.163 -0.288 -11.356 829 HA ALA 106 HA ALA 106 -0.396 0.002 -8.479 830 HB1 ALA 106 1HB ALA 106 -1.803 1.903 -9.083 831 HB2 ALA 106 2HB ALA 106 -1.440 1.638 -10.789 832 HB3 ALA 106 3HB ALA 106 -0.158 2.121 -9.679 833 H LEU 107 HN LEU 107 -2.856 0.156 -8.056 834 HA LEU 107 HA LEU 107 -4.120 -2.084 -9.494 835 HG LEU 107 HG LEU 107 -5.365 -3.591 -6.357 836 HB2 LEU 107 2HB LEU 107 -3.520 -2.174 -6.942 837 HB3 LEU 107 1HB LEU 107 -4.959 -1.197 -6.755 838 HD11 LEU 107 1HD1 LEU 107 -6.781 -2.479 -8.768 839 HD12 LEU 107 2HD1 LEU 107 -7.223 -2.230 -7.079 840 HD13 LEU 107 3HD1 LEU 107 -7.335 -3.838 -7.792 841 HD21 LEU 107 3HD2 LEU 107 -5.340 -5.162 -8.227 842 HD22 LEU 107 1HD2 LEU 107 -3.733 -4.505 -7.912 843 HD23 LEU 107 2HD2 LEU 107 -4.680 -3.907 -9.274 844 H SER 108 HN SER 108 -5.662 -1.467 -10.821 845 HA SER 108 HA SER 108 -7.521 0.638 -9.959 846 HG SER 108 HG SER 108 -5.519 1.738 -10.574 847 HB2 SER 108 2HB SER 108 -6.405 0.352 -12.763 848 HB3 SER 108 1HB SER 108 -7.543 1.580 -12.208 849 H GLY 109 HN GLY 109 -9.667 0.394 -10.811 850 HA2 GLY 109 2HA GLY 109 -10.171 -2.279 -11.951 851 HA3 GLY 109 1HA GLY 109 -11.112 -1.666 -10.600 852 H ILE 110 HN ILE 110 -11.460 -2.327 -13.662 853 HA ILE 110 HA ILE 110 -12.628 0.097 -14.674 854 HB ILE 110 HB ILE 110 -12.860 -2.741 -15.706 855 HG12 ILE 110 2HG1 ILE 110 -11.324 -1.742 -17.534 856 HG13 ILE 110 1HG1 ILE 110 -10.984 -0.478 -16.358 857 HG21 ILE 110 1HG2 ILE 110 -13.625 -0.137 -17.012 858 HG22 ILE 110 2HG2 ILE 110 -14.722 -1.406 -16.469 859 HG23 ILE 110 3HG2 ILE 110 -13.614 -1.713 -17.807 860 HD11 ILE 110 3HD1 ILE 110 -10.128 -2.144 -14.804 861 HD12 ILE 110 1HD1 ILE 110 -9.274 -2.205 -16.345 862 HD13 ILE 110 2HD1 ILE 110 -10.493 -3.420 -15.965 863 H HIS 111 HN HIS 111 -13.844 -3.011 -13.504 864 HA HIS 111 HA HIS 111 -16.339 -1.690 -12.704 865 HD1 HIS 111 1HD HIS 111 -16.172 -3.913 -16.594 866 HD2 HIS 111 2HD HIS 111 -18.433 -1.160 -14.429 867 HE1 HIS 111 1HE HIS 111 -17.252 -2.419 -18.305 868 HE2 HIS 111 2HE HIS 111 -18.513 -0.683 -16.968 869 HB2 HIS 111 2HB HIS 111 -16.084 -4.343 -14.146 870 HB3 HIS 111 1HB HIS 111 -17.544 -3.837 -13.305 871 HA PRO 112 HA PRO 112 -15.705 -3.664 -8.782 872 HB2 PRO 112 2HB PRO 112 -18.538 -4.531 -8.846 873 HB3 PRO 112 1HB PRO 112 -17.690 -3.544 -7.652 874 HG2 PRO 112 2HG PRO 112 -19.427 -2.449 -9.356 875 HG3 PRO 112 1HG PRO 112 -17.941 -1.598 -8.890 876 HD2 PRO 112 2HD PRO 112 -18.568 -3.086 -11.409 877 HD3 PRO 112 1HD PRO 112 -17.677 -1.566 -11.190 878 H TRP 113 HN TRP 113 -14.402 -5.350 -9.327 879 HA TRP 113 HA TRP 113 -13.695 -7.454 -9.675 880 HD1 TRP 113 1HD TRP 113 -14.145 -10.877 -9.039 881 HE1 TRP 113 1HE TRP 113 -12.375 -11.443 -7.245 882 HE3 TRP 113 3HE TRP 113 -14.433 -6.604 -6.251 883 HZ2 TRP 113 2HZ TRP 113 -11.240 -10.211 -4.976 884 HZ3 TRP 113 3HZ TRP 113 -12.969 -6.373 -4.287 885 HH2 TRP 113 2HH TRP 113 -11.409 -8.143 -3.663 886 HB2 TRP 113 2HB TRP 113 -15.977 -7.703 -8.014 887 HB3 TRP 113 1HB TRP 113 -16.031 -9.022 -9.185 888 H ALA 114 HN ALA 114 -14.933 -9.742 -10.644 889 HA ALA 114 HA ALA 114 -15.383 -10.814 -12.587 890 HB1 ALA 114 1HB ALA 114 -16.668 -8.245 -13.503 891 HB2 ALA 114 2HB ALA 114 -17.477 -9.514 -12.584 892 HB3 ALA 114 3HB ALA 114 -16.883 -9.846 -14.211 893 H GLU 115 HN GLU 115 -14.547 -7.463 -13.403 894 HA GLU 115 HA GLU 115 -12.897 -8.149 -15.640 895 HB2 GLU 115 2HB GLU 115 -12.696 -5.595 -14.054 896 HB3 GLU 115 1HB GLU 115 -12.432 -5.835 -15.773 897 HG2 GLU 115 2HG GLU 115 -15.130 -6.211 -14.529 898 HG3 GLU 115 1HG GLU 115 -14.550 -4.626 -15.028 899 H LEU 116 HN LEU 116 -12.486 -7.747 -12.244 900 HA LEU 116 HA LEU 116 -9.724 -7.233 -12.121 901 HG LEU 116 HG LEU 116 -10.838 -5.579 -10.627 902 HB2 LEU 116 2HB LEU 116 -11.905 -7.895 -10.272 903 HB3 LEU 116 1HB LEU 116 -10.317 -8.401 -9.733 904 HD11 LEU 116 1HD1 LEU 116 -11.120 -6.699 -7.842 905 HD12 LEU 116 2HD1 LEU 116 -12.438 -6.106 -8.852 906 HD13 LEU 116 3HD1 LEU 116 -11.190 -4.994 -8.286 907 HD21 LEU 116 3HD2 LEU 116 -8.903 -5.132 -9.188 908 HD22 LEU 116 1HD2 LEU 116 -8.513 -6.293 -10.459 909 HD23 LEU 116 2HD2 LEU 116 -8.794 -6.853 -8.809 910 H LEU 117 HN LEU 117 -11.561 -10.217 -12.241 911 HA LEU 117 HA LEU 117 -9.906 -11.931 -10.873 912 HG LEU 117 HG LEU 117 -12.898 -11.657 -11.335 913 HB2 LEU 117 2HB LEU 117 -11.625 -12.505 -13.277 914 HB3 LEU 117 1HB LEU 117 -10.914 -13.740 -12.254 915 HD11 LEU 117 1HD1 LEU 117 -13.927 -13.271 -12.832 916 HD12 LEU 117 2HD1 LEU 117 -14.469 -13.524 -11.174 917 HD13 LEU 117 3HD1 LEU 117 -13.262 -14.598 -11.882 918 HD21 LEU 117 3HD2 LEU 117 -11.401 -12.324 -9.552 919 HD22 LEU 117 1HD2 LEU 117 -11.690 -14.026 -9.910 920 HD23 LEU 117 2HD2 LEU 117 -13.000 -13.021 -9.291 921 H THR 118 HN THR 118 -9.802 -11.304 -14.390 922 HA THR 118 HA THR 118 -7.384 -12.882 -14.622 923 HB THR 118 HB THR 118 -8.606 -11.146 -16.765 924 HG1 THR 118 1HG THR 118 -10.283 -12.440 -16.250 925 HG21 THR 118 3HG2 THR 118 -7.605 -12.808 -18.270 926 HG22 THR 118 1HG2 THR 118 -6.963 -13.681 -16.878 927 HG23 THR 118 2HG2 THR 118 -6.382 -12.057 -17.245 928 H LEU 119 HN LEU 119 -8.309 -9.484 -14.636 929 HA LEU 119 HA LEU 119 -5.946 -8.466 -15.783 930 HG LEU 119 HG LEU 119 -7.591 -5.176 -15.708 931 HB2 LEU 119 2HB LEU 119 -8.330 -7.422 -15.359 932 HB3 LEU 119 1HB LEU 119 -7.590 -6.853 -13.880 933 HD11 LEU 119 1HD1 LEU 119 -4.853 -6.071 -14.829 934 HD12 LEU 119 2HD1 LEU 119 -5.943 -5.017 -13.929 935 HD13 LEU 119 3HD1 LEU 119 -5.266 -4.479 -15.466 936 HD21 LEU 119 3HD2 LEU 119 -7.319 -6.649 -17.605 937 HD22 LEU 119 1HD2 LEU 119 -5.715 -7.116 -17.046 938 HD23 LEU 119 2HD2 LEU 119 -6.015 -5.462 -17.573 939 H MET 120 HN MET 120 -6.973 -8.666 -12.367 940 HA MET 120 HA MET 120 -4.571 -7.417 -11.426 941 HB2 MET 120 2HB MET 120 -5.377 -7.870 -9.198 942 HB3 MET 120 1HB MET 120 -6.726 -7.323 -10.184 943 HG2 MET 120 2HG MET 120 -7.458 -9.639 -10.463 944 HG3 MET 120 1HG MET 120 -6.120 -10.180 -9.455 945 HE1 MET 120 3HE MET 120 -7.875 -11.499 -7.902 946 HE2 MET 120 1HE MET 120 -9.171 -10.938 -8.959 947 HE3 MET 120 2HE MET 120 -9.305 -10.732 -7.212 948 H ARG 121 HN ARG 121 -5.574 -10.672 -12.059 949 HA ARG 121 HA ARG 121 -3.629 -11.923 -10.379 950 HE ARG 121 HE ARG 121 -4.467 -16.733 -9.774 951 HB2 ARG 121 2HB ARG 121 -5.910 -12.802 -11.435 952 HB3 ARG 121 1HB ARG 121 -4.819 -13.366 -12.693 953 HG2 ARG 121 2HG ARG 121 -3.533 -14.598 -11.031 954 HG3 ARG 121 1HG ARG 121 -4.623 -14.029 -9.768 955 HD2 ARG 121 2HD ARG 121 -6.497 -15.081 -11.114 956 HD3 ARG 121 1HD ARG 121 -5.237 -15.867 -12.064 957 HH11 ARG 121 1HH1 ARG 121 -7.806 -16.183 -10.711 958 HH12 ARG 121 2HH1 ARG 121 -8.445 -17.337 -9.581 959 HH21 ARG 121 1HH2 ARG 121 -5.307 -18.267 -8.303 960 HH22 ARG 121 2HH2 ARG 121 -7.030 -18.536 -8.226 961 H SER 122 HN SER 122 -3.853 -11.044 -13.775 962 HA SER 122 HA SER 122 -1.541 -12.374 -14.665 963 HG SER 122 HG SER 122 -1.249 -11.883 -17.030 964 HB2 SER 122 2HB SER 122 -3.306 -11.420 -16.153 965 HB3 SER 122 1HB SER 122 -2.717 -9.806 -15.757 966 H ILE 123 HN ILE 123 -2.012 -9.331 -13.019 967 HA ILE 123 HA ILE 123 0.453 -8.107 -13.559 968 HB ILE 123 HB ILE 123 -1.235 -7.871 -11.059 969 HG12 ILE 123 2HG1 ILE 123 -1.207 -6.178 -13.569 970 HG13 ILE 123 1HG1 ILE 123 -2.457 -7.342 -13.144 971 HG21 ILE 123 1HG2 ILE 123 0.896 -6.042 -12.160 972 HG22 ILE 123 2HG2 ILE 123 1.017 -7.026 -10.703 973 HG23 ILE 123 3HG2 ILE 123 -0.136 -5.694 -10.772 974 HD11 ILE 123 3HD1 ILE 123 -1.762 -4.871 -11.575 975 HD12 ILE 123 1HD1 ILE 123 -3.039 -6.023 -11.188 976 HD13 ILE 123 2HD1 ILE 123 -3.139 -5.054 -12.660 977 H VAL 124 HN VAL 124 -0.504 -10.402 -11.047 978 HA VAL 124 HA VAL 124 2.274 -10.481 -10.090 979 HB VAL 124 HB VAL 124 1.367 -11.661 -8.105 980 HG11 VAL 124 1HG1 VAL 124 0.097 -8.999 -8.731 981 HG12 VAL 124 2HG1 VAL 124 1.682 -9.265 -8.007 982 HG13 VAL 124 3HG1 VAL 124 0.223 -9.707 -7.121 983 HG21 VAL 124 3HG2 VAL 124 -0.596 -12.675 -9.114 984 HG22 VAL 124 1HG2 VAL 124 -1.308 -11.082 -9.369 985 HG23 VAL 124 2HG2 VAL 124 -1.063 -11.684 -7.730 986 H ASP 125 HN ASP 125 0.729 -11.902 -12.418 987 HA ASP 125 HA ASP 125 1.009 -14.691 -11.817 988 HB2 ASP 125 2HB ASP 125 -0.635 -13.887 -13.462 989 HB3 ASP 125 1HB ASP 125 0.673 -13.295 -14.482 990 H THR 126 HN THR 126 2.958 -12.221 -13.306 991 HA THR 126 HA THR 126 5.184 -14.138 -13.454 992 HB THR 126 HB THR 126 6.175 -12.413 -15.083 993 HG1 THR 126 1HG THR 126 4.611 -10.765 -14.664 994 HG21 THR 126 3HG2 THR 126 4.957 -13.369 -17.001 995 HG22 THR 126 1HG2 THR 126 3.745 -14.011 -15.894 996 HG23 THR 126 2HG2 THR 126 5.406 -14.600 -15.821 997 HA PRO 127 HA PRO 127 6.242 -11.160 -10.132 998 HB2 PRO 127 2HB PRO 127 7.760 -13.385 -9.007 999 HB3 PRO 127 1HB PRO 127 6.398 -12.505 -8.312 1000 HG2 PRO 127 2HG PRO 127 6.206 -15.077 -9.138 1001 HG3 PRO 127 1HG PRO 127 4.844 -13.944 -9.205 1002 HD2 PRO 127 2HD PRO 127 6.685 -14.827 -11.397 1003 HD3 PRO 127 1HD PRO 127 4.921 -14.599 -11.431 1004 H ALA 128 HN ALA 128 8.088 -12.953 -12.372 1005 HA ALA 128 HA ALA 128 10.636 -11.916 -11.428 1006 HB1 ALA 128 1HB ALA 128 10.514 -14.236 -12.207 1007 HB2 ALA 128 2HB ALA 128 11.642 -13.278 -13.167 1008 HB3 ALA 128 3HB ALA 128 10.046 -13.665 -13.809 1009 H ALA 129 HN ALA 129 12.082 -10.830 -12.849 1010 HA ALA 129 HA ALA 129 11.171 -9.676 -15.311 1011 HB1 ALA 129 1HB ALA 129 11.716 -7.850 -12.958 1012 HB2 ALA 129 2HB ALA 129 10.160 -8.078 -13.757 1013 HB3 ALA 129 3HB ALA 129 11.498 -7.328 -14.628 1014 H GLN 130 HN GLN 130 12.941 -10.768 -16.124 1015 HA GLN 130 HA GLN 130 15.085 -11.340 -16.567 1016 HB2 GLN 130 2HB GLN 130 15.740 -9.044 -16.741 1017 HB3 GLN 130 1HB GLN 130 15.710 -8.836 -14.996 1018 HG2 GLN 130 2HG GLN 130 17.985 -8.959 -15.846 1019 HG3 GLN 130 1HG GLN 130 17.628 -10.302 -14.763 1020 HE21 GLN 130 1HE2 GLN 130 19.246 -11.582 -15.599 1021 HE22 GLN 130 2HE2 GLN 130 19.150 -12.303 -17.170 1022 H GLU 131 HN GLU 131 15.913 -13.104 -15.734 1023 HA GLU 131 HA GLU 131 15.441 -13.942 -13.104 1024 HB2 GLU 131 2HB GLU 131 15.859 -15.427 -15.058 1025 HB3 GLU 131 1HB GLU 131 17.554 -14.966 -15.000 1026 HG2 GLU 131 2HG GLU 131 17.731 -15.918 -12.754 1027 HG3 GLU 131 1HG GLU 131 16.035 -16.398 -12.833 1028 H THR 132 HN THR 132 16.617 -13.908 -11.271 1029 HA THR 132 HA THR 132 18.087 -13.156 -9.721 1030 HB THR 132 HB THR 132 20.152 -12.919 -11.915 1031 HG1 THR 132 1HG THR 132 19.743 -15.001 -12.165 1032 HG21 THR 132 3HG2 THR 132 20.780 -12.007 -9.719 1033 HG22 THR 132 1HG2 THR 132 21.719 -13.447 -10.110 1034 HG23 THR 132 2HG2 THR 132 20.382 -13.553 -8.967 1035 H VAL 133 HN VAL 133 16.432 -11.304 -10.256 1036 HA VAL 133 HA VAL 133 17.966 -8.869 -10.902 1037 HB VAL 133 HB VAL 133 16.010 -9.304 -12.374 1038 HG11 VAL 133 1HG1 VAL 133 14.380 -8.898 -9.869 1039 HG12 VAL 133 2HG1 VAL 133 14.551 -10.410 -10.759 1040 HG13 VAL 133 3HG1 VAL 133 13.744 -9.032 -11.509 1041 HG21 VAL 133 3HG2 VAL 133 15.796 -6.867 -10.616 1042 HG22 VAL 133 1HG2 VAL 133 15.036 -7.054 -12.197 1043 HG23 VAL 133 2HG2 VAL 133 16.794 -7.038 -12.059 1044 H GLN 134 HN GLN 134 16.042 -10.521 -8.531 1045 HA GLN 134 HA GLN 134 16.029 -8.154 -6.813 1046 HB2 GLN 134 2HB GLN 134 13.900 -9.354 -7.104 1047 HB3 GLN 134 1HB GLN 134 14.634 -10.811 -6.453 1048 HG2 GLN 134 2HG GLN 134 14.741 -8.372 -4.777 1049 HG3 GLN 134 1HG GLN 134 13.172 -9.145 -4.984 1050 HE21 GLN 134 1HE2 GLN 134 12.850 -11.219 -4.184 1051 HE22 GLN 134 2HE2 GLN 134 13.905 -11.922 -2.998 1052 H LEU 135 HN LEU 135 17.700 -7.907 -5.596 1053 HA LEU 135 HA LEU 135 18.603 -10.139 -3.942 1054 HG LEU 135 HG LEU 135 19.762 -10.342 -6.731 1055 HB2 LEU 135 2HB LEU 135 20.405 -8.272 -5.497 1056 HB3 LEU 135 1HB LEU 135 20.961 -9.274 -4.171 1057 HD11 LEU 135 1HD1 LEU 135 22.642 -10.133 -5.862 1058 HD12 LEU 135 2HD1 LEU 135 21.880 -9.257 -7.188 1059 HD13 LEU 135 3HD1 LEU 135 22.066 -11.009 -7.278 1060 HD21 LEU 135 3HD2 LEU 135 20.643 -12.488 -5.947 1061 HD22 LEU 135 1HD2 LEU 135 19.458 -11.827 -4.822 1062 HD23 LEU 135 2HD2 LEU 135 21.179 -11.724 -4.451 1063 H GLU 136 HN GLU 136 19.829 -9.291 -2.029 1064 HA GLU 136 HA GLU 136 18.526 -6.980 -0.936 1065 HB2 GLU 136 2HB GLU 136 19.986 -7.475 1.052 1066 HB3 GLU 136 1HB GLU 136 18.962 -8.810 0.544 1067 HG2 GLU 136 2HG GLU 136 20.866 -9.837 -0.597 1068 HG3 GLU 136 1HG GLU 136 21.890 -8.498 -0.082 1069 H HIS 137 HN HIS 137 19.839 -6.223 -3.186 1070 HA HIS 137 HA HIS 137 21.253 -4.719 -4.092 1071 HD1 HIS 137 1HD HIS 137 20.631 -1.927 -0.336 1072 HD2 HIS 137 2HD HIS 137 19.338 -3.349 -4.030 1073 HE1 HIS 137 1HE HIS 137 18.408 -0.827 -0.753 1074 HE2 HIS 137 2HE HIS 137 17.703 -1.605 -3.050 1075 HB2 HIS 137 2HB HIS 137 21.935 -4.019 -1.225 1076 HB3 HIS 137 1HB HIS 137 22.471 -3.113 -2.635 1077 H HIS 138 HN HIS 138 23.170 -5.612 -1.242 1078 HA HIS 138 HA HIS 138 24.684 -7.533 -2.768 1079 HD1 HIS 138 1HD HIS 138 26.992 -7.720 -4.217 1080 HD2 HIS 138 2HD HIS 138 25.803 -3.738 -4.373 1081 HE1 HIS 138 1HE HIS 138 27.277 -7.024 -6.616 1082 HE2 HIS 138 2HE HIS 138 26.488 -4.632 -6.708 1083 HB2 HIS 138 2HB HIS 138 25.866 -4.913 -1.919 1084 HB3 HIS 138 1HB HIS 138 26.866 -6.359 -1.847 1085 H HIS 139 HN HIS 139 26.102 -8.815 -1.373 1086 HA HIS 139 HA HIS 139 25.099 -8.762 1.401 1087 HD1 HIS 139 1HD HIS 139 23.252 -10.448 2.573 1088 HD2 HIS 139 2HD HIS 139 26.374 -13.060 1.702 1089 HE1 HIS 139 1HE HIS 139 23.326 -12.084 4.479 1090 HE2 HIS 139 2HE HIS 139 25.339 -13.525 4.028 1091 HB2 HIS 139 2HB HIS 139 24.111 -10.580 -0.032 1092 HB3 HIS 139 1HB HIS 139 25.728 -11.247 -0.207 1093 H HIS 140 HN HIS 140 27.027 -7.506 1.834 1094 HA HIS 140 HA HIS 140 29.505 -9.083 1.872 1095 HD1 HIS 140 1HD HIS 140 30.813 -5.563 4.228 1096 HD2 HIS 140 2HD HIS 140 32.248 -8.170 1.312 1097 HE1 HIS 140 1HE HIS 140 33.274 -5.815 4.688 1098 HE2 HIS 140 2HE HIS 140 34.113 -7.450 2.963 1099 HB2 HIS 140 2HB HIS 140 29.659 -6.767 1.006 1100 HB3 HIS 140 1HB HIS 140 29.064 -6.158 2.546 1101 H HIS 141 HN HIS 141 28.363 -10.463 3.449 1102 HA HIS 141 HA HIS 141 29.171 -9.974 6.098 1103 HD1 HIS 141 1HD HIS 141 28.530 -8.261 8.246 1104 HD2 HIS 141 2HD HIS 141 25.358 -10.947 8.047 1105 HE1 HIS 141 1HE HIS 141 27.918 -8.769 10.633 1106 HE2 HIS 141 2HE HIS 141 25.909 -10.283 10.489 1107 HB2 HIS 141 2HB HIS 141 27.194 -8.385 5.902 1108 HB3 HIS 141 1HB HIS 141 26.174 -9.805 5.704 1109 H HIS 142 HN HIS 142 29.165 -11.892 7.207 1110 HA HIS 142 HA HIS 142 27.686 -14.099 5.941 1111 HD1 HIS 142 1HD HIS 142 31.749 -12.686 6.152 1112 HD2 HIS 142 2HD HIS 142 30.737 -15.339 9.194 1113 HE1 HIS 142 1HE HIS 142 33.473 -12.347 7.954 1114 HE2 HIS 142 2HE HIS 142 32.932 -14.072 9.712 1115 HB2 HIS 142 2HB HIS 142 29.516 -15.622 6.684 1116 HB3 HIS 142 1HB HIS 142 30.011 -14.460 5.465 Start of MODEL 12 1 HA MET 1 HA MET 1 8.943 16.303 7.191 2 H1 MET 1 1HT MET 1 8.119 16.139 4.956 3 H2 MET 1 2HT MET 1 6.737 15.309 5.479 4 H3 MET 1 3HT MET 1 8.266 14.583 5.621 5 HB2 MET 1 2HB MET 1 7.283 17.971 6.264 6 HB3 MET 1 1HB MET 1 6.024 17.098 7.124 7 HG2 MET 1 2HG MET 1 7.051 17.630 9.242 8 HG3 MET 1 1HG MET 1 8.404 18.410 8.422 9 HE1 MET 1 3HE MET 1 6.813 19.875 10.699 10 HE2 MET 1 1HE MET 1 6.547 21.471 9.995 11 HE3 MET 1 2HE MET 1 8.101 20.665 9.789 12 H ALA 2 HN ALA 2 5.530 15.301 7.538 13 HA ALA 2 HA ALA 2 4.531 13.591 8.632 14 HB1 ALA 2 1HB ALA 2 6.085 12.229 7.305 15 HB2 ALA 2 2HB ALA 2 5.700 11.492 8.861 16 HB3 ALA 2 3HB ALA 2 7.250 12.299 8.627 17 H ASN 3 HN ASN 3 6.193 15.730 10.199 18 HA ASN 3 HA ASN 3 6.692 14.316 12.675 19 HB2 ASN 3 2HB ASN 3 7.467 16.390 13.571 20 HB3 ASN 3 1HB ASN 3 8.080 16.281 11.927 21 HD21 ASN 3 1HD2 ASN 3 7.639 18.590 13.654 22 HD22 ASN 3 2HD2 ASN 3 6.592 19.653 12.777 23 H ASP 4 HN ASP 4 4.058 15.711 11.142 24 HA ASP 4 HA ASP 4 2.496 15.518 13.610 25 HB2 ASP 4 2HB ASP 4 2.795 17.883 13.331 26 HB3 ASP 4 1HB ASP 4 2.389 17.787 11.620 27 H THR 5 HN THR 5 1.089 13.975 13.320 28 HA THR 5 HA THR 5 -0.229 13.726 10.692 29 HB THR 5 HB THR 5 0.295 11.510 12.695 30 HG1 THR 5 1HG THR 5 1.651 12.381 10.371 31 HG21 THR 5 3HG2 THR 5 -0.785 11.409 9.872 32 HG22 THR 5 1HG2 THR 5 -1.719 11.143 11.344 33 HG23 THR 5 2HG2 THR 5 -0.440 10.015 10.897 34 HA PRO 6 HA PRO 6 -3.940 14.755 13.006 35 HB2 PRO 6 2HB PRO 6 -5.272 13.603 10.627 36 HB3 PRO 6 1HB PRO 6 -5.453 15.204 11.352 37 HG2 PRO 6 2HG PRO 6 -4.142 14.871 9.045 38 HG3 PRO 6 1HG PRO 6 -3.608 16.060 10.249 39 HD2 PRO 6 2HD PRO 6 -2.495 13.348 9.637 40 HD3 PRO 6 1HD PRO 6 -1.643 14.858 10.025 41 H PHE 7 HN PHE 7 -4.228 13.350 14.643 42 HA PHE 7 HA PHE 7 -4.827 10.554 13.983 43 HD1 PHE 7 2HD PHE 7 -3.166 8.541 14.839 44 HD2 PHE 7 1HD PHE 7 -5.031 10.384 18.193 45 HE1 PHE 7 2HE PHE 7 -3.552 6.326 15.837 46 HE2 PHE 7 1HE PHE 7 -5.418 8.171 19.198 47 HZ PHE 7 HZ PHE 7 -4.680 6.140 18.019 48 HB2 PHE 7 2HB PHE 7 -2.836 10.966 15.414 49 HB3 PHE 7 1HB PHE 7 -3.886 11.703 16.619 50 H SER 8 HN SER 8 -6.869 10.018 14.065 51 HA SER 8 HA SER 8 -8.459 10.750 16.384 52 HG SER 8 HG SER 8 -8.117 12.806 15.186 53 HB2 SER 8 2HB SER 8 -9.425 11.201 13.542 54 HB3 SER 8 1HB SER 8 -10.412 11.367 14.994 55 H ALA 9 HN ALA 9 -10.669 9.475 16.163 56 HA ALA 9 HA ALA 9 -9.937 6.745 16.157 57 HB1 ALA 9 1HB ALA 9 -12.287 6.297 16.599 58 HB2 ALA 9 2HB ALA 9 -12.702 7.949 16.145 59 HB3 ALA 9 3HB ALA 9 -11.717 7.650 17.576 60 H LEU 10 HN LEU 10 -11.324 8.819 13.734 61 HA LEU 10 HA LEU 10 -12.327 6.794 12.022 62 HG LEU 10 HG LEU 10 -14.233 8.338 11.682 63 HB2 LEU 10 2HB LEU 10 -11.522 9.651 11.510 64 HB3 LEU 10 1HB LEU 10 -12.164 8.612 10.255 65 HD11 LEU 10 1HD1 LEU 10 -13.293 9.024 13.822 66 HD12 LEU 10 2HD1 LEU 10 -14.667 10.034 13.375 67 HD13 LEU 10 3HD1 LEU 10 -13.024 10.647 13.191 68 HD21 LEU 10 3HD2 LEU 10 -14.156 9.791 9.735 69 HD22 LEU 10 1HD2 LEU 10 -13.531 11.106 10.731 70 HD23 LEU 10 2HD2 LEU 10 -15.160 10.488 11.007 71 H TRP 11 HN TRP 11 -9.213 8.288 12.439 72 HA TRP 11 HA TRP 11 -8.034 6.952 10.160 73 HD1 TRP 11 1HD TRP 11 -4.645 7.935 13.107 74 HE1 TRP 11 1HE TRP 11 -2.469 7.260 11.919 75 HE3 TRP 11 3HE TRP 11 -6.352 7.861 8.281 76 HZ2 TRP 11 2HZ TRP 11 -1.591 6.758 9.284 77 HZ3 TRP 11 3HZ TRP 11 -4.771 7.271 6.486 78 HH2 TRP 11 2HH TRP 11 -2.442 6.733 6.981 79 HB2 TRP 11 2HB TRP 11 -7.152 9.103 10.654 80 HB3 TRP 11 1HB TRP 11 -6.965 8.720 12.359 81 H GLN 12 HN GLN 12 -7.740 6.811 13.684 82 HA GLN 12 HA GLN 12 -5.877 4.817 13.976 83 HB2 GLN 12 2HB GLN 12 -6.672 6.117 15.842 84 HB3 GLN 12 1HB GLN 12 -8.286 5.439 15.684 85 HG2 GLN 12 2HG GLN 12 -7.396 3.228 16.271 86 HG3 GLN 12 1HG GLN 12 -5.797 3.943 16.472 87 HE21 GLN 12 1HE2 GLN 12 -5.710 3.320 18.622 88 HE22 GLN 12 2HE2 GLN 12 -6.630 4.126 19.851 89 H ARG 13 HN ARG 13 -9.317 4.421 13.260 90 HA ARG 13 HA ARG 13 -9.542 1.714 13.913 91 HE ARG 13 HE ARG 13 -12.161 5.252 9.750 92 HB2 ARG 13 2HB ARG 13 -11.507 1.669 12.452 93 HB3 ARG 13 1HB ARG 13 -11.496 3.091 13.485 94 HG2 ARG 13 2HG ARG 13 -10.740 4.460 11.641 95 HG3 ARG 13 1HG ARG 13 -10.657 3.041 10.596 96 HD2 ARG 13 2HD ARG 13 -13.074 2.710 10.880 97 HD3 ARG 13 1HD ARG 13 -13.142 4.157 11.887 98 HH11 ARG 13 1HH1 ARG 13 -14.534 2.692 9.864 99 HH12 ARG 13 2HH1 ARG 13 -15.284 3.130 8.363 100 HH21 ARG 13 1HH2 ARG 13 -13.160 5.856 7.768 101 HH22 ARG 13 2HH2 ARG 13 -14.515 4.940 7.174 102 H LEU 14 HN LEU 14 -8.191 3.239 11.050 103 HA LEU 14 HA LEU 14 -8.116 0.836 9.492 104 HG LEU 14 HG LEU 14 -7.857 3.503 6.994 105 HB2 LEU 14 2HB LEU 14 -6.669 3.468 9.239 106 HB3 LEU 14 1HB LEU 14 -6.362 2.127 8.154 107 HD11 LEU 14 1HD1 LEU 14 -9.509 1.369 8.326 108 HD12 LEU 14 2HD1 LEU 14 -8.501 1.173 6.892 109 HD13 LEU 14 3HD1 LEU 14 -9.927 2.210 6.833 110 HD21 LEU 14 3HD2 LEU 14 -8.515 4.952 8.836 111 HD22 LEU 14 1HD2 LEU 14 -9.544 3.672 9.484 112 HD23 LEU 14 2HD2 LEU 14 -9.922 4.404 7.925 113 H LEU 15 HN LEU 15 -5.870 2.530 11.605 114 HA LEU 15 HA LEU 15 -3.677 0.781 11.230 115 HG LEU 15 HG LEU 15 -4.317 3.924 11.795 116 HB2 LEU 15 2HB LEU 15 -4.353 2.385 13.695 117 HB3 LEU 15 1HB LEU 15 -2.775 1.773 13.246 118 HD11 LEU 15 1HD1 LEU 15 -3.439 4.706 13.904 119 HD12 LEU 15 2HD1 LEU 15 -2.498 5.383 12.575 120 HD13 LEU 15 3HD1 LEU 15 -1.851 4.043 13.521 121 HD21 LEU 15 3HD2 LEU 15 -2.263 4.207 10.478 122 HD22 LEU 15 1HD2 LEU 15 -2.996 2.622 10.233 123 HD23 LEU 15 2HD2 LEU 15 -1.574 2.787 11.264 124 H THR 16 HN THR 16 -6.490 0.766 13.280 125 HA THR 16 HA THR 16 -5.742 -1.351 15.001 126 HB THR 16 HB THR 16 -8.544 -0.531 14.199 127 HG1 THR 16 1HG THR 16 -7.224 1.218 15.033 128 HG21 THR 16 3HG2 THR 16 -8.439 -2.660 15.412 129 HG22 THR 16 1HG2 THR 16 -9.174 -1.398 16.401 130 HG23 THR 16 2HG2 THR 16 -7.504 -1.887 16.693 131 H ARG 17 HN ARG 17 -6.977 -1.245 11.753 132 HA ARG 17 HA ARG 17 -7.852 -3.983 11.697 133 HE ARG 17 HE ARG 17 -9.878 -5.164 7.111 134 HB2 ARG 17 2HB ARG 17 -8.690 -2.058 10.222 135 HB3 ARG 17 1HB ARG 17 -7.214 -2.279 9.292 136 HG2 ARG 17 2HG ARG 17 -7.849 -4.508 8.693 137 HG3 ARG 17 1HG ARG 17 -9.234 -4.456 9.785 138 HD2 ARG 17 2HD ARG 17 -10.095 -2.524 8.407 139 HD3 ARG 17 1HD ARG 17 -8.822 -2.890 7.243 140 HH11 ARG 17 1HH1 ARG 17 -11.743 -2.380 8.126 141 HH12 ARG 17 2HH1 ARG 17 -13.248 -3.013 7.522 142 HH21 ARG 17 1HH2 ARG 17 -11.851 -5.999 6.334 143 HH22 ARG 17 2HH2 ARG 17 -13.308 -5.078 6.514 144 H GLY 18 HN GLY 18 -4.872 -2.677 11.946 145 HA2 GLY 18 2HA GLY 18 -2.908 -3.953 12.056 146 HA3 GLY 18 1HA GLY 18 -3.658 -5.158 11.019 147 H TRP 19 HN TRP 19 -3.654 -1.763 10.240 148 HA TRP 19 HA TRP 19 -1.834 -2.319 8.010 149 HD1 TRP 19 1HD TRP 19 -3.809 -3.583 7.732 150 HE1 TRP 19 1HE TRP 19 -5.856 -4.244 6.338 151 HE3 TRP 19 3HE TRP 19 -5.252 1.060 6.158 152 HZ2 TRP 19 2HZ TRP 19 -7.823 -2.973 4.760 153 HZ3 TRP 19 3HZ TRP 19 -7.225 1.246 4.703 154 HH2 TRP 19 2HH TRP 19 -8.477 -0.729 4.015 155 HB2 TRP 19 2HB TRP 19 -3.766 -0.027 8.437 156 HB3 TRP 19 1HB TRP 19 -2.725 -0.219 7.032 157 H GLN 20 HN GLN 20 0.094 -1.312 7.829 158 HA GLN 20 HA GLN 20 1.011 0.241 10.106 159 HB2 GLN 20 2HB GLN 20 2.307 -1.229 7.858 160 HB3 GLN 20 1HB GLN 20 3.197 0.072 8.621 161 HG2 GLN 20 2HG GLN 20 3.888 -1.882 9.695 162 HG3 GLN 20 1HG GLN 20 2.780 -1.095 10.815 163 HE21 GLN 20 1HE2 GLN 20 0.808 -2.035 11.256 164 HE22 GLN 20 2HE2 GLN 20 0.440 -3.675 10.821 165 HA PRO 21 HA PRO 21 0.842 4.020 7.670 166 HB2 PRO 21 2HB PRO 21 1.646 5.702 9.607 167 HB3 PRO 21 1HB PRO 21 0.023 5.006 9.601 168 HG2 PRO 21 2HG PRO 21 2.414 4.235 11.212 169 HG3 PRO 21 1HG PRO 21 0.709 4.300 11.695 170 HD2 PRO 21 2HD PRO 21 2.070 1.996 10.988 171 HD3 PRO 21 1HD PRO 21 0.307 2.185 10.943 172 H VAL 22 HN VAL 22 2.434 4.231 6.197 173 HA VAL 22 HA VAL 22 5.216 4.018 7.117 174 HB VAL 22 HB VAL 22 5.792 3.641 4.732 175 HG11 VAL 22 1HG1 VAL 22 3.758 1.763 5.924 176 HG12 VAL 22 2HG1 VAL 22 5.501 1.749 6.201 177 HG13 VAL 22 3HG1 VAL 22 4.859 1.363 4.606 178 HG21 VAL 22 3HG2 VAL 22 4.006 3.101 3.144 179 HG22 VAL 22 1HG2 VAL 22 3.906 4.776 3.688 180 HG23 VAL 22 2HG2 VAL 22 2.800 3.570 4.344 181 H GLU 23 HN GLU 23 6.816 5.418 6.263 182 HA GLU 23 HA GLU 23 5.805 8.122 5.722 183 HB2 GLU 23 2HB GLU 23 8.489 7.174 6.730 184 HB3 GLU 23 1HB GLU 23 8.090 8.850 6.394 185 HG2 GLU 23 2HG GLU 23 6.393 8.799 8.134 186 HG3 GLU 23 1HG GLU 23 6.785 7.108 8.464 187 H ALA 24 HN ALA 24 7.463 9.453 4.409 188 HA ALA 24 HA ALA 24 7.773 8.221 1.859 189 HB1 ALA 24 1HB ALA 24 8.832 10.857 2.877 190 HB2 ALA 24 2HB ALA 24 7.289 10.601 2.064 191 HB3 ALA 24 3HB ALA 24 8.798 10.346 1.191 192 H SER 25 HN SER 25 9.914 8.978 4.546 193 HA SER 25 HA SER 25 12.195 7.872 3.082 194 HG SER 25 HG SER 25 12.253 9.301 6.677 195 HB2 SER 25 2HB SER 25 13.491 8.821 5.044 196 HB3 SER 25 1HB SER 25 12.655 10.012 4.050 197 H THR 26 HN THR 26 9.846 6.490 4.633 198 HA THR 26 HA THR 26 11.601 4.631 6.088 199 HB THR 26 HB THR 26 8.806 5.348 6.992 200 HG1 THR 26 1HG THR 26 9.831 6.650 8.562 201 HG21 THR 26 3HG2 THR 26 11.065 3.915 8.396 202 HG22 THR 26 1HG2 THR 26 9.631 3.147 7.718 203 HG23 THR 26 2HG2 THR 26 9.475 4.261 9.076 204 H VAL 27 HN VAL 27 9.102 5.084 3.792 205 HA VAL 27 HA VAL 27 7.792 2.588 3.933 206 HB VAL 27 HB VAL 27 6.893 4.548 2.724 207 HG11 VAL 27 1HG1 VAL 27 8.984 3.899 0.652 208 HG12 VAL 27 2HG1 VAL 27 8.928 5.343 1.662 209 HG13 VAL 27 3HG1 VAL 27 7.670 5.059 0.460 210 HG21 VAL 27 3HG2 VAL 27 5.985 2.336 2.295 211 HG22 VAL 27 1HG2 VAL 27 7.193 2.066 1.037 212 HG23 VAL 27 2HG2 VAL 27 5.961 3.310 0.826 213 H ASP 28 HN ASP 28 10.786 3.610 2.423 214 HA ASP 28 HA ASP 28 11.081 1.494 0.600 215 HB2 ASP 28 2HB ASP 28 13.545 2.083 0.724 216 HB3 ASP 28 1HB ASP 28 12.457 3.395 0.288 217 H ASP 29 HN ASP 29 12.291 1.839 3.932 218 HA ASP 29 HA ASP 29 13.641 -0.628 4.050 219 HB2 ASP 29 2HB ASP 29 13.966 1.129 5.742 220 HB3 ASP 29 1HB ASP 29 12.311 0.917 6.298 221 H TRP 30 HN TRP 30 10.320 0.272 4.720 222 HA TRP 30 HA TRP 30 9.479 -2.198 5.786 223 HD1 TRP 30 1HD TRP 30 7.256 -1.826 7.711 224 HE1 TRP 30 1HE TRP 30 5.049 -3.142 7.685 225 HE3 TRP 30 3HE TRP 30 6.078 -1.322 2.758 226 HZ2 TRP 30 2HZ TRP 30 3.070 -3.870 5.810 227 HZ3 TRP 30 3HZ TRP 30 4.008 -2.362 1.930 228 HH2 TRP 30 2HH TRP 30 2.536 -3.610 3.426 229 HB2 TRP 30 2HB TRP 30 8.238 -0.001 5.922 230 HB3 TRP 30 1HB TRP 30 7.772 -0.236 4.241 231 H ILE 31 HN ILE 31 9.278 -0.857 2.501 232 HA ILE 31 HA ILE 31 7.963 -3.001 1.294 233 HB ILE 31 HB ILE 31 9.913 -1.036 0.088 234 HG12 ILE 31 2HG1 ILE 31 6.889 -1.119 0.012 235 HG13 ILE 31 1HG1 ILE 31 7.833 -0.095 1.086 236 HG21 ILE 31 1HG2 ILE 31 9.790 -3.016 -1.313 237 HG22 ILE 31 2HG2 ILE 31 8.958 -1.666 -2.084 238 HG23 ILE 31 3HG2 ILE 31 8.028 -2.939 -1.296 239 HD11 ILE 31 3HD1 ILE 31 8.802 1.032 -0.866 240 HD12 ILE 31 1HD1 ILE 31 7.045 1.167 -0.815 241 HD13 ILE 31 2HD1 ILE 31 7.808 0.025 -1.919 242 H LYS 32 HN LYS 32 11.460 -2.394 1.610 243 HA LYS 32 HA LYS 32 12.149 -4.678 0.068 244 HB2 LYS 32 2HB LYS 32 14.457 -4.275 0.821 245 HB3 LYS 32 1HB LYS 32 13.691 -2.829 0.196 246 HG2 LYS 32 2HG LYS 32 14.802 -2.019 2.019 247 HG3 LYS 32 1HG LYS 32 13.205 -2.324 2.693 248 HD2 LYS 32 2HD LYS 32 13.927 -4.284 3.782 249 HD3 LYS 32 1HD LYS 32 15.422 -4.338 2.849 250 HE2 LYS 32 2HE LYS 32 16.222 -2.337 3.949 251 HE3 LYS 32 1HE LYS 32 14.703 -2.181 4.827 252 HZ1 LYS 32 3HZ LYS 32 16.714 -3.234 5.994 253 HZ2 LYS 32 1HZ LYS 32 16.342 -4.622 5.094 254 HZ3 LYS 32 2HZ LYS 32 15.198 -3.978 6.171 255 H ARG 33 HN ARG 33 11.387 -4.239 3.419 256 HA ARG 33 HA ARG 33 12.600 -6.729 4.225 257 HE ARG 33 HE ARG 33 11.532 -7.710 9.161 258 HB2 ARG 33 2HB ARG 33 12.273 -4.749 5.746 259 HB3 ARG 33 1HB ARG 33 10.557 -5.114 5.739 260 HG2 ARG 33 2HG ARG 33 10.984 -7.296 6.700 261 HG3 ARG 33 1HG ARG 33 12.721 -6.993 6.660 262 HD2 ARG 33 2HD ARG 33 12.365 -5.061 8.170 263 HD3 ARG 33 1HD ARG 33 10.660 -5.509 8.280 264 HH11 ARG 33 1HH1 ARG 33 13.249 -4.691 9.590 265 HH12 ARG 33 2HH1 ARG 33 14.133 -5.239 10.983 266 HH21 ARG 33 1HH2 ARG 33 12.668 -8.437 10.987 267 HH22 ARG 33 2HH2 ARG 33 13.772 -7.371 11.806 268 H VAL 34 HN VAL 34 9.317 -5.539 3.682 269 HA VAL 34 HA VAL 34 8.125 -8.058 4.342 270 HB VAL 34 HB VAL 34 6.009 -7.118 3.617 271 HG11 VAL 34 1HG1 VAL 34 7.678 -5.144 5.169 272 HG12 VAL 34 2HG1 VAL 34 6.800 -6.526 5.825 273 HG13 VAL 34 3HG1 VAL 34 5.915 -5.173 5.118 274 HG21 VAL 34 3HG2 VAL 34 7.627 -4.789 2.581 275 HG22 VAL 34 1HG2 VAL 34 5.867 -4.829 2.709 276 HG23 VAL 34 2HG2 VAL 34 6.696 -5.938 1.617 277 H GLY 35 HN GLY 35 9.059 -6.464 1.352 278 HA2 GLY 35 2HA GLY 35 9.616 -7.462 -0.659 279 HA3 GLY 35 1HA GLY 35 9.081 -9.005 -0.014 280 H ASP 36 HN ASP 36 6.532 -8.602 0.625 281 HA ASP 36 HA ASP 36 5.254 -7.844 -1.907 282 HB2 ASP 36 2HB ASP 36 4.347 -10.139 -0.177 283 HB3 ASP 36 1HB ASP 36 3.935 -9.798 -1.845 284 H GLY 37 HN GLY 37 3.395 -6.663 -1.711 285 HA2 GLY 37 2HA GLY 37 1.529 -6.680 0.295 286 HA3 GLY 37 1HA GLY 37 2.772 -5.581 0.877 287 H VAL 38 HN VAL 38 0.619 -4.279 0.711 288 HA VAL 38 HA VAL 38 0.751 -2.819 -1.829 289 HB VAL 38 HB VAL 38 -1.717 -2.514 -1.798 290 HG11 VAL 38 1HG1 VAL 38 -2.264 -4.722 -2.706 291 HG12 VAL 38 2HG1 VAL 38 -0.771 -5.367 -2.024 292 HG13 VAL 38 3HG1 VAL 38 -0.705 -4.141 -3.290 293 HG21 VAL 38 3HG2 VAL 38 -3.099 -4.067 -0.495 294 HG22 VAL 38 1HG2 VAL 38 -2.146 -3.011 0.548 295 HG23 VAL 38 2HG2 VAL 38 -1.649 -4.684 0.299 296 H ILE 39 HN ILE 39 0.631 -0.661 -1.659 297 HA ILE 39 HA ILE 39 0.222 0.457 1.032 298 HB ILE 39 HB ILE 39 1.854 1.488 -1.297 299 HG12 ILE 39 2HG1 ILE 39 3.623 1.656 0.521 300 HG13 ILE 39 1HG1 ILE 39 2.520 0.769 1.562 301 HG21 ILE 39 1HG2 ILE 39 0.584 3.364 -0.431 302 HG22 ILE 39 2HG2 ILE 39 2.288 3.521 -0.004 303 HG23 ILE 39 3HG2 ILE 39 1.122 2.992 1.209 304 HD11 ILE 39 3HD1 ILE 39 4.182 -0.701 0.616 305 HD12 ILE 39 1HD1 ILE 39 3.704 -0.228 -1.015 306 HD13 ILE 39 2HD1 ILE 39 2.579 -1.118 0.012 307 H LEU 40 HN LEU 40 -1.528 1.658 1.355 308 HA LEU 40 HA LEU 40 -3.143 2.477 -0.942 309 HG LEU 40 HG LEU 40 -3.834 0.185 1.096 310 HB2 LEU 40 2HB LEU 40 -3.755 2.453 2.015 311 HB3 LEU 40 1HB LEU 40 -4.866 3.006 0.780 312 HD11 LEU 40 1HD1 LEU 40 -6.158 -0.328 1.668 313 HD12 LEU 40 2HD1 LEU 40 -6.550 1.389 1.591 314 HD13 LEU 40 3HD1 LEU 40 -5.429 0.795 2.815 315 HD21 LEU 40 3HD2 LEU 40 -5.434 -0.374 -0.669 316 HD22 LEU 40 1HD2 LEU 40 -4.198 0.741 -1.249 317 HD23 LEU 40 2HD2 LEU 40 -5.813 1.337 -0.868 318 H LEU 41 HN LEU 41 -3.129 4.524 -1.634 319 HA LEU 41 HA LEU 41 -1.667 6.534 -0.163 320 HG LEU 41 HG LEU 41 -1.313 5.254 -2.981 321 HB2 LEU 41 2HB LEU 41 -3.266 6.777 -2.712 322 HB3 LEU 41 1HB LEU 41 -2.186 7.992 -2.066 323 HD11 LEU 41 1HD1 LEU 41 -0.368 6.430 -4.913 324 HD12 LEU 41 2HD1 LEU 41 -1.128 7.924 -4.367 325 HD13 LEU 41 3HD1 LEU 41 -2.126 6.555 -4.857 326 HD21 LEU 41 3HD2 LEU 41 0.937 6.182 -2.828 327 HD22 LEU 41 1HD2 LEU 41 0.124 6.248 -1.264 328 HD23 LEU 41 2HD2 LEU 41 0.280 7.709 -2.238 329 H SER 42 HN SER 42 -2.548 8.551 0.488 330 HA SER 42 HA SER 42 -4.938 8.519 1.895 331 HG SER 42 HG SER 42 -4.746 11.033 3.202 332 HB2 SER 42 2HB SER 42 -3.095 10.184 2.194 333 HB3 SER 42 1HB SER 42 -3.593 10.957 0.692 334 H SER 43 HN SER 43 -6.991 8.524 1.254 335 HA SER 43 HA SER 43 -7.484 8.583 -1.581 336 HG SER 43 HG SER 43 -7.296 6.633 -0.093 337 HB2 SER 43 2HB SER 43 -9.412 8.011 0.676 338 HB3 SER 43 1HB SER 43 -9.641 7.634 -1.033 339 H ASP 44 HN ASP 44 -7.125 10.874 -1.885 340 HA ASP 44 HA ASP 44 -9.629 12.350 -1.395 341 HB2 ASP 44 2HB ASP 44 -7.667 13.356 -0.210 342 HB3 ASP 44 1HB ASP 44 -6.882 13.574 -1.770 343 HA PRO 45 HA PRO 45 -9.195 11.867 -5.898 344 HB2 PRO 45 2HB PRO 45 -11.939 11.216 -6.133 345 HB3 PRO 45 1HB PRO 45 -10.577 10.098 -6.170 346 HG2 PRO 45 2HG PRO 45 -12.542 10.241 -4.178 347 HG3 PRO 45 1HG PRO 45 -10.998 9.380 -4.065 348 HD2 PRO 45 2HD PRO 45 -11.765 12.047 -2.981 349 HD3 PRO 45 1HD PRO 45 -10.641 10.838 -2.324 350 H ARG 46 HN ARG 46 -12.424 12.852 -4.852 351 HA ARG 46 HA ARG 46 -12.313 15.576 -5.305 352 HE ARG 46 HE ARG 46 -12.319 12.528 -9.983 353 HB2 ARG 46 2HB ARG 46 -13.196 15.912 -7.499 354 HB3 ARG 46 1HB ARG 46 -11.830 14.823 -7.688 355 HG2 ARG 46 2HG ARG 46 -13.415 12.920 -7.772 356 HG3 ARG 46 1HG ARG 46 -14.747 14.073 -7.704 357 HD2 ARG 46 2HD ARG 46 -14.513 13.628 -9.980 358 HD3 ARG 46 1HD ARG 46 -13.660 15.155 -9.759 359 HH11 ARG 46 1HH1 ARG 46 -12.407 15.990 -10.532 360 HH12 ARG 46 2HH1 ARG 46 -10.920 16.004 -11.429 361 HH21 ARG 46 1HH2 ARG 46 -10.378 12.549 -11.152 362 HH22 ARG 46 2HH2 ARG 46 -9.750 14.052 -11.768 363 H ARG 47 HN ARG 47 -14.032 12.587 -5.510 364 HA ARG 47 HA ARG 47 -16.054 13.297 -3.684 365 HE ARG 47 HE ARG 47 -20.638 14.288 -3.963 366 HB2 ARG 47 2HB ARG 47 -16.594 14.278 -6.203 367 HB3 ARG 47 1HB ARG 47 -17.369 12.703 -6.258 368 HG2 ARG 47 2HG ARG 47 -17.892 14.824 -4.186 369 HG3 ARG 47 1HG ARG 47 -18.901 14.498 -5.594 370 HD2 ARG 47 2HD ARG 47 -19.229 12.186 -4.747 371 HD3 ARG 47 1HD ARG 47 -18.343 12.640 -3.290 372 HH11 ARG 47 1HH1 ARG 47 -19.371 11.636 -2.070 373 HH12 ARG 47 2HH1 ARG 47 -20.665 11.672 -0.910 374 HH21 ARG 47 1HH2 ARG 47 -22.361 14.329 -2.453 375 HH22 ARG 47 2HH2 ARG 47 -22.376 13.197 -1.134 376 H THR 48 HN THR 48 -17.031 11.364 -2.963 377 HA THR 48 HA THR 48 -15.912 8.899 -3.751 378 HB THR 48 HB THR 48 -17.934 7.936 -2.479 379 HG1 THR 48 1HG THR 48 -19.423 9.322 -1.926 380 HG21 THR 48 3HG2 THR 48 -16.987 8.597 -0.310 381 HG22 THR 48 1HG2 THR 48 -16.077 9.882 -1.105 382 HG23 THR 48 2HG2 THR 48 -15.725 8.193 -1.474 383 HA PRO 49 HA PRO 49 -18.456 8.603 -7.393 384 HB2 PRO 49 2HB PRO 49 -16.784 6.964 -8.747 385 HB3 PRO 49 1HB PRO 49 -16.457 8.679 -8.502 386 HG2 PRO 49 2HG PRO 49 -15.139 6.351 -7.311 387 HG3 PRO 49 1HG PRO 49 -14.581 8.028 -7.409 388 HD2 PRO 49 2HD PRO 49 -15.828 6.653 -5.184 389 HD3 PRO 49 1HD PRO 49 -15.124 8.280 -5.229 390 H GLU 50 HN GLU 50 -20.289 7.478 -7.163 391 HA GLU 50 HA GLU 50 -21.759 5.771 -7.333 392 HB2 GLU 50 2HB GLU 50 -20.481 5.322 -9.397 393 HB3 GLU 50 1HB GLU 50 -19.406 4.268 -8.493 394 HG2 GLU 50 2HG GLU 50 -21.304 2.788 -8.000 395 HG3 GLU 50 1HG GLU 50 -22.346 3.834 -8.967 396 H VAL 51 HN VAL 51 -19.315 3.328 -6.975 397 HA VAL 51 HA VAL 51 -19.985 3.003 -4.131 398 HB VAL 51 HB VAL 51 -20.056 0.540 -4.442 399 HG11 VAL 51 1HG1 VAL 51 -22.142 1.782 -4.320 400 HG12 VAL 51 2HG1 VAL 51 -22.293 0.430 -5.443 401 HG13 VAL 51 3HG1 VAL 51 -22.092 2.070 -6.060 402 HG21 VAL 51 3HG2 VAL 51 -20.369 -0.379 -6.697 403 HG22 VAL 51 1HG2 VAL 51 -18.783 0.366 -6.507 404 HG23 VAL 51 2HG2 VAL 51 -20.057 1.213 -7.382 405 H SER 52 HN SER 52 -17.645 3.637 -6.227 406 HA SER 52 HA SER 52 -15.688 1.698 -5.320 407 HG SER 52 HG SER 52 -16.389 2.604 -8.555 408 HB2 SER 52 2HB SER 52 -15.432 3.982 -7.289 409 HB3 SER 52 1HB SER 52 -14.190 2.776 -6.955 410 H ASP 53 HN ASP 53 -15.986 2.512 -3.117 411 HA ASP 53 HA ASP 53 -13.760 4.188 -2.447 412 HB2 ASP 53 2HB ASP 53 -14.931 5.846 -1.157 413 HB3 ASP 53 1HB ASP 53 -15.606 5.859 -2.781 414 H ASN 54 HN ASN 54 -14.082 4.512 0.191 415 HA ASN 54 HA ASN 54 -13.947 3.469 2.201 416 HB2 ASN 54 2HB ASN 54 -15.620 1.328 0.883 417 HB3 ASN 54 1HB ASN 54 -15.053 1.218 2.544 418 HD21 ASN 54 1HD2 ASN 54 -17.343 2.575 0.404 419 HD22 ASN 54 2HD2 ASN 54 -18.262 3.441 1.587 420 HA PRO 55 HA PRO 55 -10.297 1.049 1.625 421 HB2 PRO 55 2HB PRO 55 -9.714 0.552 4.198 422 HB3 PRO 55 1HB PRO 55 -9.610 2.184 3.523 423 HG2 PRO 55 2HG PRO 55 -11.775 0.951 5.181 424 HG3 PRO 55 1HG PRO 55 -11.060 2.570 5.298 425 HD2 PRO 55 2HD PRO 55 -13.442 2.033 4.054 426 HD3 PRO 55 1HD PRO 55 -12.399 3.407 3.640 427 H VAL 56 HN VAL 56 -13.081 -0.327 1.825 428 HA VAL 56 HA VAL 56 -12.403 -2.833 3.128 429 HB VAL 56 HB VAL 56 -14.698 -3.532 2.578 430 HG11 VAL 56 1HG1 VAL 56 -14.498 -0.810 3.853 431 HG12 VAL 56 2HG1 VAL 56 -14.326 -2.370 4.659 432 HG13 VAL 56 3HG1 VAL 56 -15.885 -1.893 3.983 433 HG21 VAL 56 3HG2 VAL 56 -14.940 -0.809 1.299 434 HG22 VAL 56 1HG2 VAL 56 -16.274 -1.928 1.586 435 HG23 VAL 56 2HG2 VAL 56 -14.984 -2.364 0.465 436 H MET 57 HN MET 57 -13.038 -4.862 1.904 437 HA MET 57 HA MET 57 -12.921 -6.307 0.156 438 HB2 MET 57 2HB MET 57 -12.843 -3.828 -1.566 439 HB3 MET 57 1HB MET 57 -12.933 -5.469 -2.188 440 HG2 MET 57 2HG MET 57 -15.072 -5.785 -1.082 441 HG3 MET 57 1HG MET 57 -14.982 -4.153 -0.421 442 HE1 MET 57 3HE MET 57 -15.152 -1.975 -3.696 443 HE2 MET 57 1HE MET 57 -13.687 -2.583 -2.924 444 HE3 MET 57 2HE MET 57 -15.006 -1.948 -1.940 445 H ILE 58 HN ILE 58 -10.602 -3.692 0.246 446 HA ILE 58 HA ILE 58 -8.676 -4.713 -1.487 447 HB ILE 58 HB ILE 58 -8.731 -2.400 -0.528 448 HG12 ILE 58 2HG1 ILE 58 -6.259 -2.166 -0.369 449 HG13 ILE 58 1HG1 ILE 58 -6.121 -3.918 -0.265 450 HG21 ILE 58 1HG2 ILE 58 -7.521 -3.718 1.897 451 HG22 ILE 58 2HG2 ILE 58 -9.107 -2.954 1.804 452 HG23 ILE 58 3HG2 ILE 58 -7.649 -1.979 1.622 453 HD11 ILE 58 3HD1 ILE 58 -7.244 -2.381 -2.598 454 HD12 ILE 58 1HD1 ILE 58 -7.068 -4.132 -2.495 455 HD13 ILE 58 2HD1 ILE 58 -5.637 -3.102 -2.507 456 H ALA 59 HN ALA 59 -9.361 -5.544 1.847 457 HA ALA 59 HA ALA 59 -6.856 -6.878 2.289 458 HB1 ALA 59 1HB ALA 59 -8.095 -5.819 4.122 459 HB2 ALA 59 2HB ALA 59 -7.798 -7.530 4.428 460 HB3 ALA 59 3HB ALA 59 -9.395 -6.992 3.909 461 H GLU 60 HN GLU 60 -10.187 -7.909 1.663 462 HA GLU 60 HA GLU 60 -9.622 -10.685 1.899 463 HB2 GLU 60 2HB GLU 60 -11.871 -11.003 0.921 464 HB3 GLU 60 1HB GLU 60 -11.862 -9.885 2.278 465 HG2 GLU 60 2HG GLU 60 -11.797 -8.019 0.597 466 HG3 GLU 60 1HG GLU 60 -12.090 -9.238 -0.645 467 H LEU 61 HN LEU 61 -9.552 -8.420 -0.763 468 HA LEU 61 HA LEU 61 -9.506 -10.172 -2.937 469 HG LEU 61 HG LEU 61 -8.752 -7.251 -5.042 470 HB2 LEU 61 2HB LEU 61 -9.516 -7.587 -2.838 471 HB3 LEU 61 1HB LEU 61 -7.779 -7.718 -2.749 472 HD11 LEU 61 1HD1 LEU 61 -7.203 -8.752 -6.195 473 HD12 LEU 61 2HD1 LEU 61 -7.017 -9.692 -4.716 474 HD13 LEU 61 3HD1 LEU 61 -6.469 -8.018 -4.771 475 HD21 LEU 61 3HD2 LEU 61 -9.606 -9.171 -6.290 476 HD22 LEU 61 1HD2 LEU 61 -10.646 -8.776 -4.921 477 HD23 LEU 61 2HD2 LEU 61 -9.548 -10.152 -4.826 478 H LEU 62 HN LEU 62 -6.852 -8.855 -1.035 479 HA LEU 62 HA LEU 62 -4.718 -10.082 -2.328 480 HG LEU 62 HG LEU 62 -5.372 -7.402 -0.763 481 HB2 LEU 62 2HB LEU 62 -4.960 -9.398 0.598 482 HB3 LEU 62 1HB LEU 62 -3.463 -9.686 -0.263 483 HD11 LEU 62 1HD1 LEU 62 -3.594 -6.013 0.151 484 HD12 LEU 62 2HD1 LEU 62 -2.620 -7.447 0.468 485 HD13 LEU 62 3HD1 LEU 62 -4.137 -7.202 1.335 486 HD21 LEU 62 3HD2 LEU 62 -3.662 -6.558 -2.280 487 HD22 LEU 62 1HD2 LEU 62 -4.252 -8.135 -2.811 488 HD23 LEU 62 2HD2 LEU 62 -2.689 -8.004 -2.005 489 H ARG 63 HN ARG 63 -6.938 -11.396 0.015 490 HA ARG 63 HA ARG 63 -5.196 -13.489 0.874 491 HE ARG 63 HE ARG 63 -8.633 -14.557 3.982 492 HB2 ARG 63 2HB ARG 63 -8.097 -12.899 1.375 493 HB3 ARG 63 1HB ARG 63 -7.333 -14.366 1.973 494 HG2 ARG 63 2HG ARG 63 -5.646 -12.934 3.125 495 HG3 ARG 63 1HG ARG 63 -6.596 -11.528 2.644 496 HD2 ARG 63 2HD ARG 63 -7.046 -12.331 4.963 497 HD3 ARG 63 1HD ARG 63 -8.469 -12.257 3.927 498 HH11 ARG 63 1HH1 ARG 63 -5.618 -13.548 5.491 499 HH12 ARG 63 2HH1 ARG 63 -5.301 -15.113 6.178 500 HH21 ARG 63 1HH2 ARG 63 -8.218 -16.600 4.919 501 HH22 ARG 63 2HH2 ARG 63 -6.781 -16.839 5.860 502 H GLU 64 HN GLU 64 -6.737 -13.211 -2.047 503 HA GLU 64 HA GLU 64 -7.359 -16.031 -2.225 504 HB2 GLU 64 2HB GLU 64 -8.105 -15.606 -4.425 505 HB3 GLU 64 1HB GLU 64 -8.700 -14.295 -3.432 506 HG2 GLU 64 2HG GLU 64 -7.246 -12.760 -4.370 507 HG3 GLU 64 1HG GLU 64 -6.161 -14.013 -4.981 508 H PHE 65 HN PHE 65 -4.647 -14.173 -2.262 509 HA PHE 65 HA PHE 65 -3.185 -16.094 -3.953 510 HD1 PHE 65 1HD PHE 65 -3.385 -14.979 -6.129 511 HD2 PHE 65 2HD PHE 65 -3.087 -11.493 -3.712 512 HE1 PHE 65 1HE PHE 65 -4.617 -13.700 -7.833 513 HE2 PHE 65 2HE PHE 65 -4.324 -10.207 -5.406 514 HZ PHE 65 HZ PHE 65 -5.096 -11.309 -7.472 515 HB2 PHE 65 2HB PHE 65 -2.148 -13.429 -2.961 516 HB3 PHE 65 1HB PHE 65 -1.466 -14.445 -4.225 517 HA PRO 66 HA PRO 66 -2.299 -17.016 0.446 518 HB2 PRO 66 2HB PRO 66 -2.685 -19.654 0.402 519 HB3 PRO 66 1HB PRO 66 -4.045 -18.529 0.320 520 HG2 PRO 66 2HG PRO 66 -2.766 -20.120 -1.853 521 HG3 PRO 66 1HG PRO 66 -4.474 -19.715 -1.613 522 HD2 PRO 66 2HD PRO 66 -2.698 -18.403 -3.333 523 HD3 PRO 66 1HD PRO 66 -4.274 -17.793 -2.798 524 H GLN 67 HN GLN 67 -0.427 -17.312 -2.151 525 HA GLN 67 HA GLN 67 1.402 -19.358 -1.401 526 HB2 GLN 67 2HB GLN 67 1.323 -17.211 -3.429 527 HB3 GLN 67 1HB GLN 67 2.921 -17.785 -2.969 528 HG2 GLN 67 2HG GLN 67 0.659 -19.301 -4.221 529 HG3 GLN 67 1HG GLN 67 2.308 -19.088 -4.813 530 HE21 GLN 67 1HE2 GLN 67 4.009 -20.237 -3.750 531 HE22 GLN 67 2HE2 GLN 67 3.664 -21.712 -2.904 532 H PHE 68 HN PHE 68 1.418 -15.846 -1.006 533 HA PHE 68 HA PHE 68 3.446 -16.170 1.067 534 HD1 PHE 68 1HD PHE 68 2.904 -12.472 -1.146 535 HD2 PHE 68 2HD PHE 68 4.294 -16.121 -2.799 536 HE1 PHE 68 1HE PHE 68 2.229 -11.706 -3.385 537 HE2 PHE 68 2HE PHE 68 3.624 -15.374 -5.042 538 HZ PHE 68 HZ PHE 68 2.590 -13.162 -5.337 539 HB2 PHE 68 2HB PHE 68 4.425 -13.937 0.091 540 HB3 PHE 68 1HB PHE 68 4.901 -15.492 -0.576 541 H ASP 69 HN ASP 69 3.698 -14.127 2.356 542 HA ASP 69 HA ASP 69 1.026 -13.464 3.239 543 HB2 ASP 69 2HB ASP 69 2.776 -14.143 4.841 544 HB3 ASP 69 1HB ASP 69 3.713 -12.717 4.412 545 H TRP 70 HN TRP 70 -0.009 -11.815 2.354 546 HA TRP 70 HA TRP 70 1.422 -9.492 1.371 547 HD1 TRP 70 1HD TRP 70 -0.649 -12.534 0.326 548 HE1 TRP 70 1HE TRP 70 -0.316 -13.057 -2.164 549 HE3 TRP 70 3HE TRP 70 -0.279 -7.762 -1.451 550 HZ2 TRP 70 2HZ TRP 70 0.042 -11.627 -4.582 551 HZ3 TRP 70 3HZ TRP 70 0.057 -7.422 -3.864 552 HH2 TRP 70 2HH TRP 70 0.216 -9.319 -5.395 553 HB2 TRP 70 2HB TRP 70 -1.532 -10.097 1.471 554 HB3 TRP 70 1HB TRP 70 -0.825 -8.678 0.718 555 H GLN 71 HN GLN 71 1.352 -7.488 2.236 556 HA GLN 71 HA GLN 71 -0.006 -7.158 4.813 557 HB2 GLN 71 2HB GLN 71 2.838 -6.466 4.114 558 HB3 GLN 71 1HB GLN 71 2.007 -5.771 5.501 559 HG2 GLN 71 2HG GLN 71 2.130 -7.665 6.697 560 HG3 GLN 71 1HG GLN 71 1.858 -8.695 5.295 561 HE21 GLN 71 1HE2 GLN 71 3.596 -9.306 4.024 562 HE22 GLN 71 2HE2 GLN 71 5.218 -9.215 4.604 563 H VAL 72 HN VAL 72 -0.831 -5.100 5.223 564 HA VAL 72 HA VAL 72 -0.937 -3.382 2.835 565 HB VAL 72 HB VAL 72 -2.938 -3.458 5.101 566 HG11 VAL 72 1HG1 VAL 72 -3.046 -2.214 2.355 567 HG12 VAL 72 2HG1 VAL 72 -2.903 -1.356 3.890 568 HG13 VAL 72 3HG1 VAL 72 -4.375 -2.252 3.514 569 HG21 VAL 72 3HG2 VAL 72 -2.924 -5.609 3.944 570 HG22 VAL 72 1HG2 VAL 72 -3.107 -4.786 2.396 571 HG23 VAL 72 2HG2 VAL 72 -4.399 -4.710 3.592 572 H ALA 73 HN ALA 73 -0.240 -1.356 2.949 573 HA ALA 73 HA ALA 73 0.266 -0.190 5.606 574 HB1 ALA 73 1HB ALA 73 2.380 -0.852 4.564 575 HB2 ALA 73 2HB ALA 73 2.255 0.901 4.713 576 HB3 ALA 73 3HB ALA 73 1.990 0.127 3.150 577 H VAL 74 HN VAL 74 -0.059 2.028 5.798 578 HA VAL 74 HA VAL 74 -1.389 3.343 3.522 579 HB VAL 74 HB VAL 74 -2.869 4.514 5.162 580 HG11 VAL 74 1HG1 VAL 74 -4.424 2.657 5.456 581 HG12 VAL 74 2HG1 VAL 74 -3.131 1.511 5.105 582 HG13 VAL 74 3HG1 VAL 74 -3.687 2.622 3.855 583 HG21 VAL 74 3HG2 VAL 74 -1.544 4.190 7.176 584 HG22 VAL 74 1HG2 VAL 74 -1.802 2.446 7.085 585 HG23 VAL 74 2HG2 VAL 74 -3.164 3.526 7.392 586 H ALA 75 HN ALA 75 -1.452 5.784 3.853 587 HA ALA 75 HA ALA 75 0.812 6.749 5.429 588 HB1 ALA 75 1HB ALA 75 1.746 7.970 3.530 589 HB2 ALA 75 2HB ALA 75 0.533 7.255 2.469 590 HB3 ALA 75 3HB ALA 75 1.746 6.232 3.238 591 H ASP 76 HN ASP 76 0.800 8.966 5.850 592 HA ASP 76 HA ASP 76 -1.731 10.231 6.072 593 HB2 ASP 76 2HB ASP 76 0.040 10.707 7.664 594 HB3 ASP 76 1HB ASP 76 1.092 11.292 6.381 595 H LEU 77 HN LEU 77 -2.017 12.555 5.214 596 HA LEU 77 HA LEU 77 -2.332 12.515 2.466 597 HG LEU 77 HG LEU 77 -4.491 13.536 3.013 598 HB2 LEU 77 2HB LEU 77 -2.136 14.828 4.382 599 HB3 LEU 77 1HB LEU 77 -2.476 15.051 2.679 600 HD11 LEU 77 1HD1 LEU 77 -5.374 13.397 5.295 601 HD12 LEU 77 2HD1 LEU 77 -3.871 14.082 5.911 602 HD13 LEU 77 3HD1 LEU 77 -3.861 12.508 5.115 603 HD21 LEU 77 3HD2 LEU 77 -5.851 15.349 3.931 604 HD22 LEU 77 1HD2 LEU 77 -4.683 15.945 2.753 605 HD23 LEU 77 2HD2 LEU 77 -4.388 16.169 4.478 606 H GLU 78 HN GLU 78 0.261 14.176 4.327 607 HA GLU 78 HA GLU 78 1.559 15.109 1.982 608 HB2 GLU 78 2HB GLU 78 3.303 15.829 3.446 609 HB3 GLU 78 1HB GLU 78 1.774 16.184 4.209 610 HG2 GLU 78 2HG GLU 78 2.058 14.536 5.817 611 HG3 GLU 78 1HG GLU 78 3.270 13.682 4.861 612 H GLN 79 HN GLN 79 1.922 12.304 4.047 613 HA GLN 79 HA GLN 79 4.345 11.351 2.983 614 HB2 GLN 79 2HB GLN 79 2.063 9.854 4.280 615 HB3 GLN 79 1HB GLN 79 3.639 9.154 3.935 616 HG2 GLN 79 2HG GLN 79 4.702 10.718 5.442 617 HG3 GLN 79 1HG GLN 79 3.160 11.518 5.736 618 HE21 GLN 79 1HE2 GLN 79 4.993 10.216 7.606 619 HE22 GLN 79 2HE2 GLN 79 4.072 8.991 8.404 620 H SER 80 HN SER 80 0.964 10.705 2.135 621 HA SER 80 HA SER 80 1.505 8.895 0.035 622 HG SER 80 HG SER 80 -0.636 9.380 2.151 623 HB2 SER 80 2HB SER 80 -0.862 10.754 0.363 624 HB3 SER 80 1HB SER 80 -0.794 9.340 -0.688 625 H GLU 81 HN GLU 81 1.352 12.399 0.194 626 HA GLU 81 HA GLU 81 1.393 12.886 -2.584 627 HB2 GLU 81 2HB GLU 81 0.791 14.626 -1.005 628 HB3 GLU 81 1HB GLU 81 2.387 14.556 -0.273 629 HG2 GLU 81 2HG GLU 81 3.404 15.462 -2.228 630 HG3 GLU 81 1HG GLU 81 1.899 15.329 -3.136 631 H ALA 82 HN ALA 82 4.013 12.806 -0.180 632 HA ALA 82 HA ALA 82 6.110 13.230 -2.009 633 HB1 ALA 82 1HB ALA 82 6.218 11.823 0.655 634 HB2 ALA 82 2HB ALA 82 6.331 13.566 0.408 635 HB3 ALA 82 3HB ALA 82 7.586 12.503 -0.226 636 H ILE 83 HN ILE 83 4.807 10.210 -0.630 637 HA ILE 83 HA ILE 83 6.586 8.485 -2.000 638 HB ILE 83 HB ILE 83 3.835 7.937 -0.873 639 HG12 ILE 83 2HG1 ILE 83 6.586 7.321 0.240 640 HG13 ILE 83 1HG1 ILE 83 5.562 8.650 0.770 641 HG21 ILE 83 1HG2 ILE 83 4.379 6.289 -2.573 642 HG22 ILE 83 2HG2 ILE 83 4.440 5.565 -0.968 643 HG23 ILE 83 3HG2 ILE 83 5.936 5.980 -1.803 644 HD11 ILE 83 3HD1 ILE 83 5.443 6.781 2.309 645 HD12 ILE 83 1HD1 ILE 83 4.915 5.720 1.002 646 HD13 ILE 83 2HD1 ILE 83 3.883 7.049 1.530 647 H GLY 84 HN GLY 84 3.254 9.486 -2.668 648 HA2 GLY 84 2HA GLY 84 2.840 7.988 -4.988 649 HA3 GLY 84 1HA GLY 84 2.003 9.478 -4.579 650 H ASP 85 HN ASP 85 4.202 11.241 -4.589 651 HA ASP 85 HA ASP 85 4.334 11.887 -7.323 652 HB2 ASP 85 2HB ASP 85 4.599 13.531 -5.492 653 HB3 ASP 85 1HB ASP 85 6.172 12.832 -5.126 654 H ARG 86 HN ARG 86 6.571 10.202 -5.204 655 HA ARG 86 HA ARG 86 8.759 10.034 -6.966 656 HE ARG 86 HE ARG 86 11.432 5.838 -5.317 657 HB2 ARG 86 2HB ARG 86 8.984 9.549 -4.599 658 HB3 ARG 86 1HB ARG 86 7.870 8.198 -4.736 659 HG2 ARG 86 2HG ARG 86 9.459 6.986 -6.104 660 HG3 ARG 86 1HG ARG 86 10.568 8.360 -6.062 661 HD2 ARG 86 2HD ARG 86 10.835 8.136 -3.682 662 HD3 ARG 86 1HD ARG 86 9.603 6.877 -3.624 663 HH11 ARG 86 1HH1 ARG 86 11.725 7.298 -2.149 664 HH12 ARG 86 2HH1 ARG 86 13.023 6.261 -1.656 665 HH21 ARG 86 1HH2 ARG 86 13.164 4.505 -4.689 666 HH22 ARG 86 2HH2 ARG 86 13.875 4.690 -3.107 667 H PHE 87 HN PHE 87 5.867 8.075 -6.602 668 HA PHE 87 HA PHE 87 6.765 6.280 -8.728 669 HD1 PHE 87 1HD PHE 87 7.283 4.125 -7.916 670 HD2 PHE 87 2HD PHE 87 4.808 5.634 -4.802 671 HE1 PHE 87 1HE PHE 87 8.638 2.915 -6.259 672 HE2 PHE 87 2HE PHE 87 6.163 4.427 -3.139 673 HZ PHE 87 HZ PHE 87 8.081 3.067 -3.867 674 HB2 PHE 87 2HB PHE 87 4.306 6.180 -6.970 675 HB3 PHE 87 1HB PHE 87 4.727 4.977 -8.186 676 H ASN 88 HN ASN 88 5.422 9.190 -8.585 677 HA ASN 88 HA ASN 88 4.385 10.543 -10.058 678 HB2 ASN 88 2HB ASN 88 4.680 8.188 -11.926 679 HB3 ASN 88 1HB ASN 88 4.120 9.784 -12.423 680 HD21 ASN 88 1HD2 ASN 88 6.821 7.897 -11.366 681 HD22 ASN 88 2HD2 ASN 88 8.046 9.069 -11.709 682 H VAL 89 HN VAL 89 2.921 8.542 -8.373 683 HA VAL 89 HA VAL 89 0.332 8.807 -9.744 684 HB VAL 89 HB VAL 89 1.060 6.565 -7.849 685 HG11 VAL 89 1HG1 VAL 89 -1.391 7.028 -9.548 686 HG12 VAL 89 2HG1 VAL 89 -1.300 7.125 -7.788 687 HG13 VAL 89 3HG1 VAL 89 -1.064 5.577 -8.599 688 HG21 VAL 89 3HG2 VAL 89 0.739 6.474 -10.848 689 HG22 VAL 89 1HG2 VAL 89 1.042 5.097 -9.789 690 HG23 VAL 89 2HG2 VAL 89 2.267 6.352 -9.973 691 H ARG 90 HN ARG 90 0.371 10.894 -8.605 692 HA ARG 90 HA ARG 90 -1.058 10.491 -6.082 693 HE ARG 90 HE ARG 90 3.507 14.414 -7.053 694 HB2 ARG 90 2HB ARG 90 -0.128 12.554 -5.140 695 HB3 ARG 90 1HB ARG 90 1.123 11.359 -5.433 696 HG2 ARG 90 2HG ARG 90 1.981 12.549 -7.266 697 HG3 ARG 90 1HG ARG 90 0.545 13.574 -7.376 698 HD2 ARG 90 2HD ARG 90 1.105 14.723 -5.380 699 HD3 ARG 90 1HD ARG 90 2.343 13.541 -4.963 700 HH11 ARG 90 1HH1 ARG 90 1.398 16.409 -5.084 701 HH12 ARG 90 2HH1 ARG 90 2.287 17.866 -5.410 702 HH21 ARG 90 1HH2 ARG 90 4.668 16.297 -7.470 703 HH22 ARG 90 2HH2 ARG 90 4.149 17.813 -6.791 704 H ARG 91 HN ARG 91 -1.413 11.164 -9.092 705 HA ARG 91 HA ARG 91 -2.980 13.604 -8.920 706 HE ARG 91 HE ARG 91 -4.058 11.690 -13.462 707 HB2 ARG 91 2HB ARG 91 -1.596 13.054 -10.927 708 HB3 ARG 91 1HB ARG 91 -2.642 11.675 -11.228 709 HG2 ARG 91 2HG ARG 91 -4.543 13.191 -11.525 710 HG3 ARG 91 1HG ARG 91 -3.473 14.570 -11.252 711 HD2 ARG 91 2HD ARG 91 -3.821 14.220 -13.632 712 HD3 ARG 91 1HD ARG 91 -2.141 13.909 -13.200 713 HH11 ARG 91 1HH1 ARG 91 -1.126 13.310 -14.495 714 HH12 ARG 91 2HH1 ARG 91 -0.571 11.963 -15.452 715 HH21 ARG 91 1HH2 ARG 91 -3.342 9.926 -14.722 716 HH22 ARG 91 2HH2 ARG 91 -1.836 10.046 -15.596 717 H PHE 92 HN PHE 92 -3.349 10.228 -8.641 718 HA PHE 92 HA PHE 92 -6.170 10.511 -8.092 719 HD1 PHE 92 1HD PHE 92 -3.849 9.904 -11.395 720 HD2 PHE 92 2HD PHE 92 -5.870 6.532 -9.763 721 HE1 PHE 92 1HE PHE 92 -2.263 8.407 -12.534 722 HE2 PHE 92 2HE PHE 92 -4.286 5.032 -10.895 723 HZ PHE 92 HZ PHE 92 -2.479 5.966 -12.279 724 HB2 PHE 92 2HB PHE 92 -6.828 8.656 -9.584 725 HB3 PHE 92 1HB PHE 92 -6.202 10.024 -10.492 726 HA PRO 93 HA PRO 93 -5.001 7.609 -4.943 727 HB2 PRO 93 2HB PRO 93 -7.803 6.686 -4.988 728 HB3 PRO 93 1HB PRO 93 -6.887 7.425 -3.671 729 HG2 PRO 93 2HG PRO 93 -8.818 8.768 -4.955 730 HG3 PRO 93 1HG PRO 93 -7.350 9.575 -4.372 731 HD2 PRO 93 2HD PRO 93 -8.059 8.701 -7.151 732 HD3 PRO 93 1HD PRO 93 -7.256 10.189 -6.606 733 H ALA 94 HN ALA 94 -4.196 5.595 -5.002 734 HA ALA 94 HA ALA 94 -5.446 3.470 -6.489 735 HB1 ALA 94 1HB ALA 94 -2.756 4.486 -7.403 736 HB2 ALA 94 2HB ALA 94 -4.272 4.686 -8.282 737 HB3 ALA 94 3HB ALA 94 -3.609 3.072 -8.023 738 H THR 95 HN THR 95 -4.739 1.483 -5.844 739 HA THR 95 HA THR 95 -3.059 1.334 -3.514 740 HB THR 95 HB THR 95 -4.101 -0.959 -5.190 741 HG1 THR 95 1HG THR 95 -5.872 -0.900 -3.631 742 HG21 THR 95 3HG2 THR 95 -3.973 -2.211 -3.102 743 HG22 THR 95 1HG2 THR 95 -3.397 -0.774 -2.259 744 HG23 THR 95 2HG2 THR 95 -2.400 -1.524 -3.505 745 H LEU 96 HN LEU 96 -0.892 0.911 -3.500 746 HA LEU 96 HA LEU 96 0.382 0.437 -6.081 747 HG LEU 96 HG LEU 96 2.561 3.007 -4.546 748 HB2 LEU 96 2HB LEU 96 1.525 1.058 -3.360 749 HB3 LEU 96 1HB LEU 96 2.515 0.653 -4.747 750 HD11 LEU 96 1HD1 LEU 96 2.330 2.181 -6.826 751 HD12 LEU 96 2HD1 LEU 96 1.583 3.766 -6.633 752 HD13 LEU 96 3HD1 LEU 96 0.577 2.319 -6.705 753 HD21 LEU 96 3HD2 LEU 96 0.540 4.399 -4.498 754 HD22 LEU 96 1HD2 LEU 96 0.653 3.333 -3.097 755 HD23 LEU 96 2HD2 LEU 96 -0.449 2.941 -4.416 756 H VAL 97 HN VAL 97 1.019 -1.483 -6.731 757 HA VAL 97 HA VAL 97 0.700 -3.720 -4.872 758 HB VAL 97 HB VAL 97 1.064 -3.819 -7.872 759 HG11 VAL 97 1HG1 VAL 97 1.722 -5.876 -6.737 760 HG12 VAL 97 2HG1 VAL 97 0.231 -6.116 -7.649 761 HG13 VAL 97 3HG1 VAL 97 0.170 -5.922 -5.897 762 HG21 VAL 97 3HG2 VAL 97 -0.996 -2.657 -7.326 763 HG22 VAL 97 1HG2 VAL 97 -1.464 -3.958 -6.230 764 HG23 VAL 97 2HG2 VAL 97 -1.355 -4.262 -7.964 765 H PHE 98 HN PHE 98 2.499 -4.152 -3.788 766 HA PHE 98 HA PHE 98 5.044 -4.126 -5.247 767 HD1 PHE 98 2HD PHE 98 7.330 -2.867 -4.385 768 HD2 PHE 98 1HD PHE 98 3.741 -1.384 -2.666 769 HE1 PHE 98 2HE PHE 98 8.010 -0.593 -4.971 770 HE2 PHE 98 1HE PHE 98 4.410 0.914 -3.250 771 HZ PHE 98 HZ PHE 98 6.552 1.313 -4.403 772 HB2 PHE 98 2HB PHE 98 4.360 -3.648 -2.372 773 HB3 PHE 98 1HB PHE 98 5.972 -4.205 -2.808 774 H THR 99 HN THR 99 6.204 -5.872 -5.468 775 HA THR 99 HA THR 99 5.831 -8.220 -3.821 776 HB THR 99 HB THR 99 5.688 -9.504 -6.201 777 HG1 THR 99 1HG THR 99 4.451 -6.993 -6.505 778 HG21 THR 99 3HG2 THR 99 3.322 -9.908 -5.719 779 HG22 THR 99 1HG2 THR 99 3.310 -8.543 -4.603 780 HG23 THR 99 2HG2 THR 99 4.289 -9.967 -4.244 781 H ASP 100 HN ASP 100 7.664 -9.459 -3.781 782 HA ASP 100 HA ASP 100 9.853 -10.019 -4.072 783 HB2 ASP 100 2HB ASP 100 9.085 -10.421 -6.438 784 HB3 ASP 100 1HB ASP 100 9.607 -8.794 -6.829 785 H GLY 101 HN GLY 101 8.841 -7.229 -3.364 786 HA2 GLY 101 2HA GLY 101 9.931 -5.368 -2.493 787 HA3 GLY 101 1HA GLY 101 11.439 -5.973 -3.162 788 H LYS 102 HN LYS 102 9.198 -6.075 -5.592 789 HA LYS 102 HA LYS 102 10.103 -3.455 -6.606 790 HB2 LYS 102 2HB LYS 102 9.264 -5.927 -8.126 791 HB3 LYS 102 1HB LYS 102 9.742 -4.404 -8.860 792 HG2 LYS 102 2HG LYS 102 11.976 -4.638 -7.978 793 HG3 LYS 102 1HG LYS 102 11.509 -6.114 -7.127 794 HD2 LYS 102 2HD LYS 102 11.012 -7.187 -9.269 795 HD3 LYS 102 1HD LYS 102 11.484 -5.712 -10.118 796 HE2 LYS 102 2HE LYS 102 13.743 -5.918 -9.274 797 HE3 LYS 102 1HE LYS 102 13.285 -7.337 -8.332 798 HZ1 LYS 102 3HZ LYS 102 13.198 -7.152 -11.298 799 HZ2 LYS 102 1HZ LYS 102 12.821 -8.521 -10.366 800 HZ3 LYS 102 2HZ LYS 102 14.407 -7.928 -10.398 801 H LEU 103 HN LEU 103 8.645 -2.243 -7.934 802 HA LEU 103 HA LEU 103 5.865 -2.488 -7.111 803 HG LEU 103 HG LEU 103 4.832 -0.456 -9.249 804 HB2 LEU 103 2HB LEU 103 6.912 -0.274 -7.065 805 HB3 LEU 103 1HB LEU 103 7.280 -0.394 -8.775 806 HD11 LEU 103 1HD1 LEU 103 3.277 0.217 -7.493 807 HD12 LEU 103 2HD1 LEU 103 4.589 0.203 -6.315 808 HD13 LEU 103 3HD1 LEU 103 4.080 -1.300 -7.083 809 HD21 LEU 103 3HD2 LEU 103 4.469 1.923 -8.867 810 HD22 LEU 103 1HD2 LEU 103 6.117 1.619 -9.414 811 HD23 LEU 103 2HD2 LEU 103 5.801 1.953 -7.712 812 H ARG 104 HN ARG 104 4.382 -3.471 -8.322 813 HA ARG 104 HA ARG 104 5.084 -4.235 -11.050 814 HE ARG 104 HE ARG 104 3.897 -7.782 -11.632 815 HB2 ARG 104 2HB ARG 104 2.805 -5.047 -9.247 816 HB3 ARG 104 1HB ARG 104 2.995 -5.618 -10.899 817 HG2 ARG 104 2HG ARG 104 4.950 -6.051 -8.651 818 HG3 ARG 104 1HG ARG 104 3.813 -7.245 -9.281 819 HD2 ARG 104 2HD ARG 104 5.977 -5.914 -10.904 820 HD3 ARG 104 1HD ARG 104 6.123 -7.503 -10.156 821 HH11 ARG 104 1HH1 ARG 104 7.032 -6.429 -12.422 822 HH12 ARG 104 2HH1 ARG 104 7.008 -7.000 -14.066 823 HH21 ARG 104 1HH2 ARG 104 3.864 -8.538 -13.800 824 HH22 ARG 104 2HH2 ARG 104 5.205 -8.203 -14.847 825 H GLY 105 HN GLY 105 3.016 -2.072 -9.324 826 HA2 GLY 105 2HA GLY 105 2.562 -0.230 -11.198 827 HA3 GLY 105 1HA GLY 105 1.407 -1.472 -11.666 828 H ALA 106 HN ALA 106 -0.088 0.336 -11.274 829 HA ALA 106 HA ALA 106 -0.765 0.585 -8.416 830 HB1 ALA 106 1HB ALA 106 -1.856 2.696 -8.975 831 HB2 ALA 106 2HB ALA 106 -1.406 2.490 -10.667 832 HB3 ALA 106 3HB ALA 106 -0.156 2.724 -9.445 833 H LEU 107 HN LEU 107 -2.925 0.327 -7.809 834 HA LEU 107 HA LEU 107 -4.450 -1.280 -9.730 835 HG LEU 107 HG LEU 107 -5.663 -3.454 -6.991 836 HB2 LEU 107 2HB LEU 107 -3.745 -2.074 -7.352 837 HB3 LEU 107 1HB LEU 107 -5.063 -1.067 -6.796 838 HD11 LEU 107 1HD1 LEU 107 -7.160 -1.639 -8.869 839 HD12 LEU 107 2HD1 LEU 107 -7.419 -1.793 -7.132 840 HD13 LEU 107 3HD1 LEU 107 -7.766 -3.154 -8.199 841 HD21 LEU 107 3HD2 LEU 107 -5.985 -4.419 -9.237 842 HD22 LEU 107 1HD2 LEU 107 -4.293 -4.080 -8.874 843 HD23 LEU 107 2HD2 LEU 107 -5.201 -3.001 -9.933 844 H SER 108 HN SER 108 -5.486 0.259 -10.910 845 HA SER 108 HA SER 108 -7.507 1.811 -9.435 846 HG SER 108 HG SER 108 -7.430 4.478 -10.685 847 HB2 SER 108 2HB SER 108 -5.798 3.170 -10.731 848 HB3 SER 108 1HB SER 108 -6.452 2.451 -12.202 849 H GLY 109 HN GLY 109 -9.550 1.187 -9.779 850 HA2 GLY 109 2HA GLY 109 -9.894 -1.032 -11.655 851 HA3 GLY 109 1HA GLY 109 -10.914 -0.689 -10.268 852 H ILE 110 HN ILE 110 -11.037 -0.904 -13.430 853 HA ILE 110 HA ILE 110 -12.660 1.392 -14.057 854 HB ILE 110 HB ILE 110 -13.282 0.060 -16.101 855 HG12 ILE 110 2HG1 ILE 110 -11.324 -1.913 -14.897 856 HG13 ILE 110 1HG1 ILE 110 -13.038 -2.189 -15.182 857 HG21 ILE 110 1HG2 ILE 110 -10.338 0.397 -15.532 858 HG22 ILE 110 2HG2 ILE 110 -11.436 1.645 -16.122 859 HG23 ILE 110 3HG2 ILE 110 -11.066 0.248 -17.131 860 HD11 ILE 110 3HD1 ILE 110 -12.674 -2.057 -17.579 861 HD12 ILE 110 1HD1 ILE 110 -11.644 -3.289 -16.847 862 HD13 ILE 110 2HD1 ILE 110 -10.961 -1.729 -17.313 863 H HIS 111 HN HIS 111 -13.072 -1.564 -12.472 864 HA HIS 111 HA HIS 111 -15.799 -0.859 -11.815 865 HD1 HIS 111 1HD HIS 111 -15.928 -3.187 -15.519 866 HD2 HIS 111 2HD HIS 111 -18.240 -1.070 -12.787 867 HE1 HIS 111 1HE HIS 111 -17.769 -2.123 -16.866 868 HE2 HIS 111 2HE HIS 111 -18.991 -0.648 -15.225 869 HB2 HIS 111 2HB HIS 111 -15.064 -3.408 -13.236 870 HB3 HIS 111 1HB HIS 111 -16.370 -3.417 -12.058 871 HA PRO 112 HA PRO 112 -14.401 -1.915 -7.820 872 HB2 PRO 112 2HB PRO 112 -16.989 -3.249 -7.288 873 HB3 PRO 112 1HB PRO 112 -16.241 -1.876 -6.467 874 HG2 PRO 112 2HG PRO 112 -18.329 -1.529 -8.085 875 HG3 PRO 112 1HG PRO 112 -17.001 -0.351 -8.047 876 HD2 PRO 112 2HD PRO 112 -17.570 -2.511 -10.046 877 HD3 PRO 112 1HD PRO 112 -17.024 -0.841 -10.316 878 H TRP 113 HN TRP 113 -15.922 -4.524 -9.638 879 HA TRP 113 HA TRP 113 -13.949 -6.373 -8.578 880 HD1 TRP 113 1HD TRP 113 -15.862 -9.841 -8.530 881 HE1 TRP 113 1HE TRP 113 -14.519 -11.238 -6.826 882 HE3 TRP 113 3HE TRP 113 -14.359 -6.081 -5.410 883 HZ2 TRP 113 2HZ TRP 113 -13.020 -10.792 -4.472 884 HZ3 TRP 113 3HZ TRP 113 -12.982 -6.649 -3.453 885 HH2 TRP 113 2HH TRP 113 -12.330 -8.954 -2.994 886 HB2 TRP 113 2HB TRP 113 -16.253 -6.312 -7.223 887 HB3 TRP 113 1HB TRP 113 -16.763 -7.369 -8.534 888 H ALA 114 HN ALA 114 -14.933 -8.710 -9.604 889 HA ALA 114 HA ALA 114 -15.285 -9.979 -11.437 890 HB1 ALA 114 1HB ALA 114 -16.546 -9.139 -13.326 891 HB2 ALA 114 2HB ALA 114 -16.332 -7.481 -12.760 892 HB3 ALA 114 3HB ALA 114 -17.290 -8.619 -11.812 893 H GLU 115 HN GLU 115 -14.401 -6.910 -13.013 894 HA GLU 115 HA GLU 115 -12.618 -8.281 -14.786 895 HB2 GLU 115 2HB GLU 115 -12.949 -5.305 -14.357 896 HB3 GLU 115 1HB GLU 115 -12.180 -6.081 -15.734 897 HG2 GLU 115 2HG GLU 115 -14.320 -7.124 -16.327 898 HG3 GLU 115 1HG GLU 115 -15.085 -6.295 -14.973 899 H LEU 116 HN LEU 116 -12.320 -6.730 -11.750 900 HA LEU 116 HA LEU 116 -9.631 -5.962 -11.726 901 HG LEU 116 HG LEU 116 -8.801 -5.340 -9.480 902 HB2 LEU 116 2HB LEU 116 -11.379 -5.428 -10.014 903 HB3 LEU 116 1HB LEU 116 -11.247 -7.069 -9.428 904 HD11 LEU 116 1HD1 LEU 116 -10.923 -5.311 -7.336 905 HD12 LEU 116 2HD1 LEU 116 -10.535 -3.977 -8.422 906 HD13 LEU 116 3HD1 LEU 116 -9.344 -4.530 -7.243 907 HD21 LEU 116 3HD2 LEU 116 -8.580 -7.719 -8.926 908 HD22 LEU 116 1HD2 LEU 116 -9.765 -7.530 -7.633 909 HD23 LEU 116 2HD2 LEU 116 -8.212 -6.702 -7.533 910 H LEU 117 HN LEU 117 -11.154 -9.064 -11.096 911 HA LEU 117 HA LEU 117 -9.018 -10.389 -9.918 912 HG LEU 117 HG LEU 117 -12.020 -12.472 -9.462 913 HB2 LEU 117 2HB LEU 117 -11.257 -11.442 -11.635 914 HB3 LEU 117 1HB LEU 117 -10.105 -12.484 -10.827 915 HD11 LEU 117 1HD1 LEU 117 -9.948 -12.242 -8.215 916 HD12 LEU 117 2HD1 LEU 117 -11.276 -11.427 -7.390 917 HD13 LEU 117 3HD1 LEU 117 -10.086 -10.486 -8.289 918 HD21 LEU 117 3HD2 LEU 117 -13.164 -10.487 -8.691 919 HD22 LEU 117 1HD2 LEU 117 -13.126 -10.522 -10.455 920 HD23 LEU 117 2HD2 LEU 117 -12.028 -9.463 -9.567 921 H THR 118 HN THR 118 -9.882 -10.193 -13.362 922 HA THR 118 HA THR 118 -7.846 -11.873 -14.305 923 HB THR 118 HB THR 118 -9.055 -9.555 -15.821 924 HG1 THR 118 1HG THR 118 -10.092 -12.197 -15.484 925 HG21 THR 118 3HG2 THR 118 -8.718 -11.003 -17.764 926 HG22 THR 118 1HG2 THR 118 -8.025 -12.247 -16.725 927 HG23 THR 118 2HG2 THR 118 -7.193 -10.707 -16.929 928 H LEU 119 HN LEU 119 -7.963 -8.342 -13.922 929 HA LEU 119 HA LEU 119 -5.395 -7.930 -15.082 930 HG LEU 119 HG LEU 119 -7.134 -4.726 -15.553 931 HB2 LEU 119 2HB LEU 119 -7.319 -6.201 -13.583 932 HB3 LEU 119 1HB LEU 119 -5.686 -5.634 -13.863 933 HD11 LEU 119 1HD1 LEU 119 -6.023 -5.530 -17.574 934 HD12 LEU 119 2HD1 LEU 119 -5.423 -6.931 -16.688 935 HD13 LEU 119 3HD1 LEU 119 -4.884 -5.310 -16.246 936 HD21 LEU 119 3HD2 LEU 119 -8.926 -6.376 -15.475 937 HD22 LEU 119 1HD2 LEU 119 -7.872 -7.570 -16.231 938 HD23 LEU 119 2HD2 LEU 119 -8.362 -6.133 -17.129 939 H MET 120 HN MET 120 -6.570 -7.878 -11.715 940 HA MET 120 HA MET 120 -4.125 -7.217 -10.512 941 HB2 MET 120 2HB MET 120 -6.251 -7.136 -9.308 942 HB3 MET 120 1HB MET 120 -6.383 -8.888 -9.395 943 HG2 MET 120 2HG MET 120 -5.646 -8.212 -7.202 944 HG3 MET 120 1HG MET 120 -4.365 -9.100 -8.025 945 HE1 MET 120 3HE MET 120 -2.585 -8.234 -6.263 946 HE2 MET 120 1HE MET 120 -3.860 -7.360 -5.414 947 HE3 MET 120 2HE MET 120 -2.365 -6.534 -5.850 948 H ARG 121 HN ARG 121 -5.474 -10.366 -11.375 949 HA ARG 121 HA ARG 121 -3.467 -11.926 -10.122 950 HE ARG 121 HE ARG 121 -4.382 -17.045 -11.320 951 HB2 ARG 121 2HB ARG 121 -5.782 -12.648 -10.942 952 HB3 ARG 121 1HB ARG 121 -5.061 -12.748 -12.541 953 HG2 ARG 121 2HG ARG 121 -3.477 -14.414 -11.732 954 HG3 ARG 121 1HG ARG 121 -4.185 -14.303 -10.118 955 HD2 ARG 121 2HD ARG 121 -6.396 -14.878 -11.224 956 HD3 ARG 121 1HD ARG 121 -5.452 -15.315 -12.643 957 HH11 ARG 121 1HH1 ARG 121 -7.208 -15.540 -9.910 958 HH12 ARG 121 2HH1 ARG 121 -7.620 -16.910 -8.933 959 HH21 ARG 121 1HH2 ARG 121 -4.917 -18.869 -10.023 960 HH22 ARG 121 2HH2 ARG 121 -6.316 -18.800 -8.985 961 H SER 122 HN SER 122 -3.741 -10.391 -13.233 962 HA SER 122 HA SER 122 -1.455 -11.663 -14.381 963 HG SER 122 HG SER 122 -0.843 -10.767 -16.296 964 HB2 SER 122 2HB SER 122 -3.344 -10.638 -15.695 965 HB3 SER 122 1HB SER 122 -2.731 -9.054 -15.225 966 H ILE 123 HN ILE 123 -2.013 -8.839 -12.415 967 HA ILE 123 HA ILE 123 0.377 -7.446 -12.905 968 HB ILE 123 HB ILE 123 -1.349 -7.516 -10.424 969 HG12 ILE 123 2HG1 ILE 123 -1.170 -5.516 -12.690 970 HG13 ILE 123 1HG1 ILE 123 -2.454 -6.701 -12.477 971 HG21 ILE 123 1HG2 ILE 123 0.887 -6.761 -9.844 972 HG22 ILE 123 2HG2 ILE 123 -0.255 -5.419 -9.785 973 HG23 ILE 123 3HG2 ILE 123 0.847 -5.582 -11.154 974 HD11 ILE 123 3HD1 ILE 123 -3.168 -4.512 -11.741 975 HD12 ILE 123 1HD1 ILE 123 -1.814 -4.428 -10.615 976 HD13 ILE 123 2HD1 ILE 123 -3.086 -5.624 -10.375 977 H VAL 124 HN VAL 124 -0.371 -10.079 -10.676 978 HA VAL 124 HA VAL 124 2.235 -9.984 -9.429 979 HB VAL 124 HB VAL 124 1.507 -12.004 -8.201 980 HG11 VAL 124 1HG1 VAL 124 -0.275 -10.916 -6.920 981 HG12 VAL 124 2HG1 VAL 124 -0.493 -9.746 -8.221 982 HG13 VAL 124 3HG1 VAL 124 1.022 -9.789 -7.319 983 HG21 VAL 124 3HG2 VAL 124 -0.803 -12.796 -8.418 984 HG22 VAL 124 1HG2 VAL 124 0.103 -13.027 -9.914 985 HG23 VAL 124 2HG2 VAL 124 -1.050 -11.700 -9.777 986 H ASP 125 HN ASP 125 2.287 -10.310 -12.225 987 HA ASP 125 HA ASP 125 2.710 -12.950 -13.116 988 HB2 ASP 125 2HB ASP 125 2.295 -10.945 -14.549 989 HB3 ASP 125 1HB ASP 125 3.922 -10.387 -14.183 990 H THR 126 HN THR 126 4.525 -11.088 -11.002 991 HA THR 126 HA THR 126 7.175 -11.813 -11.578 992 HB THR 126 HB THR 126 6.004 -11.376 -8.820 993 HG1 THR 126 1HG THR 126 6.473 -9.154 -9.226 994 HG21 THR 126 3HG2 THR 126 8.238 -10.499 -8.304 995 HG22 THR 126 1HG2 THR 126 8.767 -10.878 -9.944 996 HG23 THR 126 2HG2 THR 126 8.317 -12.177 -8.839 997 HA PRO 127 HA PRO 127 6.991 -16.187 -10.628 998 HB2 PRO 127 2HB PRO 127 9.927 -16.028 -10.523 999 HB3 PRO 127 1HB PRO 127 8.890 -16.949 -11.619 1000 HG2 PRO 127 2HG PRO 127 10.274 -14.807 -12.456 1001 HG3 PRO 127 1HG PRO 127 8.668 -15.193 -13.097 1002 HD2 PRO 127 2HD PRO 127 9.441 -13.164 -11.029 1003 HD3 PRO 127 1HD PRO 127 8.296 -13.012 -12.379 1004 H ALA 128 HN ALA 128 6.316 -14.938 -8.440 1005 HA ALA 128 HA ALA 128 8.226 -15.797 -6.364 1006 HB1 ALA 128 1HB ALA 128 7.705 -13.408 -6.301 1007 HB2 ALA 128 2HB ALA 128 7.090 -14.230 -4.866 1008 HB3 ALA 128 3HB ALA 128 5.988 -13.782 -6.168 1009 H ALA 129 HN ALA 129 5.396 -16.588 -7.922 1010 HA ALA 129 HA ALA 129 4.388 -18.116 -5.620 1011 HB1 ALA 129 1HB ALA 129 2.875 -17.249 -8.085 1012 HB2 ALA 129 2HB ALA 129 2.789 -16.468 -6.506 1013 HB3 ALA 129 3HB ALA 129 2.212 -18.122 -6.704 1014 H GLN 130 HN GLN 130 4.155 -20.298 -5.802 1015 HA GLN 130 HA GLN 130 5.589 -21.595 -7.895 1016 HB2 GLN 130 2HB GLN 130 4.018 -22.616 -5.543 1017 HB3 GLN 130 1HB GLN 130 4.717 -23.704 -6.734 1018 HG2 GLN 130 2HG GLN 130 6.198 -21.761 -4.980 1019 HG3 GLN 130 1HG GLN 130 6.187 -23.519 -4.845 1020 HE21 GLN 130 1HE2 GLN 130 7.235 -24.750 -6.442 1021 HE22 GLN 130 2HE2 GLN 130 8.477 -24.061 -7.434 1022 H GLU 131 HN GLU 131 4.583 -21.194 -9.791 1023 HA GLU 131 HA GLU 131 2.655 -23.124 -10.570 1024 HB2 GLU 131 2HB GLU 131 1.195 -21.306 -9.556 1025 HB3 GLU 131 1HB GLU 131 1.766 -20.239 -10.831 1026 HG2 GLU 131 2HG GLU 131 0.778 -21.635 -12.514 1027 HG3 GLU 131 1HG GLU 131 0.333 -22.840 -11.309 1028 H THR 132 HN THR 132 2.100 -22.618 -13.026 1029 HA THR 132 HA THR 132 4.647 -22.309 -14.276 1030 HB THR 132 HB THR 132 3.126 -23.996 -15.104 1031 HG1 THR 132 1HG THR 132 4.555 -22.627 -16.581 1032 HG21 THR 132 3HG2 THR 132 1.290 -21.720 -15.852 1033 HG22 THR 132 1HG2 THR 132 0.987 -22.958 -14.632 1034 HG23 THR 132 2HG2 THR 132 1.072 -23.402 -16.339 1035 H VAL 133 HN VAL 133 4.935 -20.091 -13.478 1036 HA VAL 133 HA VAL 133 3.574 -18.020 -14.981 1037 HB VAL 133 HB VAL 133 5.153 -16.463 -13.824 1038 HG11 VAL 133 1HG1 VAL 133 4.173 -16.763 -11.574 1039 HG12 VAL 133 2HG1 VAL 133 3.583 -18.350 -12.071 1040 HG13 VAL 133 3HG1 VAL 133 2.978 -16.898 -12.865 1041 HG21 VAL 133 3HG2 VAL 133 6.514 -17.315 -11.973 1042 HG22 VAL 133 1HG2 VAL 133 7.029 -17.994 -13.517 1043 HG23 VAL 133 2HG2 VAL 133 6.066 -18.965 -12.405 1044 H GLN 134 HN GLN 134 4.382 -16.940 -16.703 1045 HA GLN 134 HA GLN 134 6.389 -18.300 -18.205 1046 HB2 GLN 134 2HB GLN 134 5.973 -16.482 -19.891 1047 HB3 GLN 134 1HB GLN 134 4.560 -17.420 -19.432 1048 HG2 GLN 134 2HG GLN 134 3.950 -15.579 -17.858 1049 HG3 GLN 134 1HG GLN 134 5.271 -14.636 -18.548 1050 HE21 GLN 134 1HE2 GLN 134 3.916 -13.062 -19.344 1051 HE22 GLN 134 2HE2 GLN 134 2.875 -13.327 -20.702 1052 H LEU 135 HN LEU 135 8.420 -17.687 -18.730 1053 HA LEU 135 HA LEU 135 9.727 -16.094 -16.723 1054 HG LEU 135 HG LEU 135 12.472 -15.905 -18.147 1055 HB2 LEU 135 2HB LEU 135 10.642 -18.232 -17.548 1056 HB3 LEU 135 1HB LEU 135 10.858 -17.516 -19.132 1057 HD11 LEU 135 1HD1 LEU 135 11.653 -15.906 -15.856 1058 HD12 LEU 135 2HD1 LEU 135 13.362 -16.336 -15.913 1059 HD13 LEU 135 3HD1 LEU 135 12.144 -17.589 -15.669 1060 HD21 LEU 135 3HD2 LEU 135 14.289 -17.497 -17.898 1061 HD22 LEU 135 1HD2 LEU 135 13.225 -17.973 -19.221 1062 HD23 LEU 135 2HD2 LEU 135 13.130 -18.807 -17.669 1063 H GLU 136 HN GLU 136 8.264 -15.288 -19.593 1064 HA GLU 136 HA GLU 136 10.230 -13.468 -20.583 1065 HB2 GLU 136 2HB GLU 136 8.428 -12.663 -22.090 1066 HB3 GLU 136 1HB GLU 136 8.716 -14.392 -22.181 1067 HG2 GLU 136 2HG GLU 136 6.720 -14.887 -21.042 1068 HG3 GLU 136 1HG GLU 136 6.518 -13.215 -20.512 1069 H HIS 137 HN HIS 137 10.825 -11.951 -19.246 1070 HA HIS 137 HA HIS 137 8.796 -9.955 -18.494 1071 HD1 HIS 137 1HD HIS 137 8.380 -9.360 -15.103 1072 HD2 HIS 137 2HD HIS 137 9.273 -13.188 -16.459 1073 HE1 HIS 137 1HE HIS 137 6.861 -10.899 -13.824 1074 HE2 HIS 137 2HE HIS 137 7.222 -13.155 -14.878 1075 HB2 HIS 137 2HB HIS 137 11.133 -10.957 -16.859 1076 HB3 HIS 137 1HB HIS 137 10.390 -9.391 -16.556 1077 H HIS 138 HN HIS 138 9.132 -8.446 -19.999 1078 HA HIS 138 HA HIS 138 11.569 -8.264 -21.430 1079 HD1 HIS 138 1HD HIS 138 10.641 -4.264 -22.264 1080 HD2 HIS 138 2HD HIS 138 11.200 -7.733 -24.502 1081 HE1 HIS 138 1HE HIS 138 11.906 -3.555 -24.317 1082 HE2 HIS 138 2HE HIS 138 12.307 -5.672 -25.623 1083 HB2 HIS 138 2HB HIS 138 9.313 -7.714 -22.355 1084 HB3 HIS 138 1HB HIS 138 9.322 -6.243 -21.387 1085 H HIS 139 HN HIS 139 13.342 -7.615 -20.466 1086 HA HIS 139 HA HIS 139 13.289 -5.268 -18.716 1087 HD1 HIS 139 1HD HIS 139 13.419 -8.885 -17.929 1088 HD2 HIS 139 2HD HIS 139 15.231 -5.851 -15.739 1089 HE1 HIS 139 1HE HIS 139 12.957 -9.421 -15.515 1090 HE2 HIS 139 2HE HIS 139 14.246 -7.688 -14.210 1091 HB2 HIS 139 2HB HIS 139 15.299 -7.448 -19.203 1092 HB3 HIS 139 1HB HIS 139 15.768 -5.950 -18.412 1093 H HIS 140 HN HIS 140 13.891 -3.361 -19.440 1094 HA HIS 140 HA HIS 140 15.947 -3.198 -21.517 1095 HD1 HIS 140 1HD HIS 140 14.215 0.681 -22.465 1096 HD2 HIS 140 2HD HIS 140 15.988 -2.553 -24.394 1097 HE1 HIS 140 1HE HIS 140 15.554 1.662 -24.358 1098 HE2 HIS 140 2HE HIS 140 16.449 -0.326 -25.620 1099 HB2 HIS 140 2HB HIS 140 13.695 -2.909 -22.598 1100 HB3 HIS 140 1HB HIS 140 13.434 -1.510 -21.564 1101 H HIS 141 HN HIS 141 17.557 -2.049 -20.681 1102 HA HIS 141 HA HIS 141 17.235 -0.690 -18.204 1103 HD1 HIS 141 1HD HIS 141 20.615 1.574 -19.229 1104 HD2 HIS 141 2HD HIS 141 19.615 -1.056 -16.157 1105 HE1 HIS 141 1HE HIS 141 21.600 2.562 -17.134 1106 HE2 HIS 141 2HE HIS 141 20.918 1.000 -15.273 1107 HB2 HIS 141 2HB HIS 141 19.318 -1.884 -18.863 1108 HB3 HIS 141 1HB HIS 141 19.627 -0.625 -20.056 1109 H HIS 142 HN HIS 142 15.684 0.879 -18.670 1110 HA HIS 142 HA HIS 142 16.735 3.436 -18.831 1111 HD1 HIS 142 1HD HIS 142 17.955 5.119 -21.566 1112 HD2 HIS 142 2HD HIS 142 13.899 5.344 -20.668 1113 HE1 HIS 142 1HE HIS 142 17.355 7.555 -21.719 1114 HE2 HIS 142 2HE HIS 142 14.971 7.682 -20.912 1115 HB2 HIS 142 2HB HIS 142 16.913 2.868 -21.296 1116 HB3 HIS 142 1HB HIS 142 15.152 2.791 -21.329 Start of MODEL 13 1 HA MET 1 HA MET 1 -3.542 16.132 -4.201 2 H1 MET 1 1HT MET 1 -4.370 13.956 -2.381 3 H2 MET 1 2HT MET 1 -3.290 15.208 -2.008 4 H3 MET 1 3HT MET 1 -2.876 14.066 -3.181 5 HB2 MET 1 2HB MET 1 -5.673 14.009 -4.576 6 HB3 MET 1 1HB MET 1 -5.163 15.213 -5.756 7 HG2 MET 1 2HG MET 1 -3.019 14.181 -5.981 8 HG3 MET 1 1HG MET 1 -3.357 13.076 -4.654 9 HE1 MET 1 3HE MET 1 -2.794 10.895 -5.894 10 HE2 MET 1 1HE MET 1 -2.200 11.906 -7.213 11 HE3 MET 1 2HE MET 1 -3.280 10.555 -7.555 12 H ALA 2 HN ALA 2 -4.131 17.775 -2.814 13 HA ALA 2 HA ALA 2 -5.355 19.077 -1.415 14 HB1 ALA 2 1HB ALA 2 -7.749 17.625 -2.559 15 HB2 ALA 2 2HB ALA 2 -7.054 19.124 -3.179 16 HB3 ALA 2 3HB ALA 2 -7.799 19.092 -1.581 17 H ASN 3 HN ASN 3 -7.390 18.609 0.363 18 HA ASN 3 HA ASN 3 -7.245 15.987 1.453 19 HB2 ASN 3 2HB ASN 3 -6.062 16.463 3.522 20 HB3 ASN 3 1HB ASN 3 -5.024 16.794 2.144 21 HD21 ASN 3 1HD2 ASN 3 -6.591 18.054 4.907 22 HD22 ASN 3 2HD2 ASN 3 -5.966 19.668 4.809 23 H ASP 4 HN ASP 4 -9.261 15.715 2.022 24 HA ASP 4 HA ASP 4 -10.867 17.743 3.260 25 HB2 ASP 4 2HB ASP 4 -11.887 15.902 1.990 26 HB3 ASP 4 1HB ASP 4 -11.227 14.735 3.130 27 H THR 5 HN THR 5 -9.069 14.934 4.335 28 HA THR 5 HA THR 5 -8.245 14.259 6.324 29 HB THR 5 HB THR 5 -8.672 17.099 7.262 30 HG1 THR 5 1HG THR 5 -6.165 16.306 6.338 31 HG21 THR 5 3HG2 THR 5 -8.100 15.551 9.056 32 HG22 THR 5 1HG2 THR 5 -6.734 16.612 8.711 33 HG23 THR 5 2HG2 THR 5 -6.729 14.948 8.123 34 HA PRO 6 HA PRO 6 -12.451 13.683 8.111 35 HB2 PRO 6 2HB PRO 6 -12.168 10.990 8.420 36 HB3 PRO 6 1HB PRO 6 -12.757 11.741 6.933 37 HG2 PRO 6 2HG PRO 6 -10.031 10.695 7.579 38 HG3 PRO 6 1HG PRO 6 -10.951 10.574 6.069 39 HD2 PRO 6 2HD PRO 6 -8.942 12.368 6.450 40 HD3 PRO 6 1HD PRO 6 -10.321 12.674 5.375 41 H PHE 7 HN PHE 7 -9.419 12.108 9.039 42 HA PHE 7 HA PHE 7 -8.348 11.820 11.013 43 HD1 PHE 7 2HD PHE 7 -6.513 13.386 11.281 44 HD2 PHE 7 1HD PHE 7 -9.248 14.113 14.456 45 HE1 PHE 7 2HE PHE 7 -4.633 13.529 12.858 46 HE2 PHE 7 1HE PHE 7 -7.372 14.264 16.041 47 HZ PHE 7 HZ PHE 7 -5.060 13.971 15.241 48 HB2 PHE 7 2HB PHE 7 -8.982 14.387 11.014 49 HB3 PHE 7 1HB PHE 7 -10.057 13.906 12.320 50 H SER 8 HN SER 8 -9.309 12.040 13.682 51 HA SER 8 HA SER 8 -10.473 10.943 15.287 52 HG SER 8 HG SER 8 -13.148 12.769 13.649 53 HB2 SER 8 2HB SER 8 -12.651 10.757 13.189 54 HB3 SER 8 1HB SER 8 -12.860 10.613 14.936 55 H ALA 9 HN ALA 9 -12.395 8.863 15.021 56 HA ALA 9 HA ALA 9 -10.795 6.585 14.971 57 HB1 ALA 9 1HB ALA 9 -13.782 6.756 14.600 58 HB2 ALA 9 2HB ALA 9 -12.934 6.711 16.146 59 HB3 ALA 9 3HB ALA 9 -12.874 5.318 15.067 60 H LEU 10 HN LEU 10 -12.443 8.225 12.383 61 HA LEU 10 HA LEU 10 -12.585 6.183 10.485 62 HG LEU 10 HG LEU 10 -14.628 7.491 9.994 63 HB2 LEU 10 2HB LEU 10 -12.114 9.141 10.099 64 HB3 LEU 10 1HB LEU 10 -12.431 8.027 8.785 65 HD11 LEU 10 1HD1 LEU 10 -15.500 9.279 11.421 66 HD12 LEU 10 2HD1 LEU 10 -13.926 10.072 11.382 67 HD13 LEU 10 3HD1 LEU 10 -14.098 8.490 12.144 68 HD21 LEU 10 3HD2 LEU 10 -14.207 10.245 8.845 69 HD22 LEU 10 1HD2 LEU 10 -15.747 9.397 8.976 70 HD23 LEU 10 2HD2 LEU 10 -14.483 8.771 7.917 71 H TRP 11 HN TRP 11 -9.917 8.314 11.370 72 HA TRP 11 HA TRP 11 -8.118 7.087 9.462 73 HD1 TRP 11 1HD TRP 11 -5.571 9.067 12.840 74 HE1 TRP 11 1HE TRP 11 -3.131 8.564 12.215 75 HE3 TRP 11 3HE TRP 11 -6.243 7.789 7.931 76 HZ2 TRP 11 2HZ TRP 11 -1.679 7.729 9.939 77 HZ3 TRP 11 3HZ TRP 11 -4.272 7.149 6.604 78 HH2 TRP 11 2HH TRP 11 -2.038 7.120 7.589 79 HB2 TRP 11 2HB TRP 11 -7.680 9.378 9.886 80 HB3 TRP 11 1HB TRP 11 -7.795 9.162 11.625 81 H GLN 12 HN GLN 12 -8.510 7.187 12.967 82 HA GLN 12 HA GLN 12 -6.526 5.529 13.851 83 HB2 GLN 12 2HB GLN 12 -8.185 6.741 15.259 84 HB3 GLN 12 1HB GLN 12 -9.381 5.522 14.848 85 HG2 GLN 12 2HG GLN 12 -7.788 3.826 15.846 86 HG3 GLN 12 1HG GLN 12 -6.889 5.201 16.487 87 HE21 GLN 12 1HE2 GLN 12 -7.873 6.525 18.062 88 HE22 GLN 12 2HE2 GLN 12 -9.221 5.959 18.987 89 H ARG 13 HN ARG 13 -9.543 4.572 12.292 90 HA ARG 13 HA ARG 13 -9.642 1.883 12.839 91 HE ARG 13 HE ARG 13 -13.499 1.673 11.656 92 HB2 ARG 13 2HB ARG 13 -11.350 3.194 11.597 93 HB3 ARG 13 1HB ARG 13 -10.288 3.198 10.195 94 HG2 ARG 13 2HG ARG 13 -11.960 1.504 9.920 95 HG3 ARG 13 1HG ARG 13 -10.389 0.732 10.159 96 HD2 ARG 13 2HD ARG 13 -11.896 -0.473 11.501 97 HD3 ARG 13 1HD ARG 13 -11.007 0.564 12.608 98 HH11 ARG 13 1HH1 ARG 13 -11.909 -0.189 14.152 99 HH12 ARG 13 2HH1 ARG 13 -13.181 0.020 15.316 100 HH21 ARG 13 1HH2 ARG 13 -15.203 1.922 13.144 101 HH22 ARG 13 2HH2 ARG 13 -15.068 1.220 14.737 102 H LEU 14 HN LEU 14 -7.669 3.559 10.440 103 HA LEU 14 HA LEU 14 -6.738 1.231 9.113 104 HG LEU 14 HG LEU 14 -6.958 2.549 7.025 105 HB2 LEU 14 2HB LEU 14 -5.632 4.030 9.297 106 HB3 LEU 14 1HB LEU 14 -4.838 2.767 8.378 107 HD11 LEU 14 1HD1 LEU 14 -8.495 3.597 8.611 108 HD12 LEU 14 2HD1 LEU 14 -8.524 4.409 7.045 109 HD13 LEU 14 3HD1 LEU 14 -7.661 5.137 8.400 110 HD21 LEU 14 3HD2 LEU 14 -5.012 3.724 6.179 111 HD22 LEU 14 1HD2 LEU 14 -5.526 5.201 6.996 112 HD23 LEU 14 2HD2 LEU 14 -6.491 4.541 5.675 113 H LEU 15 HN LEU 15 -5.659 3.048 11.886 114 HA LEU 15 HA LEU 15 -3.175 1.663 12.201 115 HG LEU 15 HG LEU 15 -4.180 4.690 12.227 116 HB2 LEU 15 2HB LEU 15 -4.735 3.320 14.187 117 HB3 LEU 15 1HB LEU 15 -3.055 2.847 14.336 118 HD11 LEU 15 1HD1 LEU 15 -4.143 5.700 14.441 119 HD12 LEU 15 2HD1 LEU 15 -2.917 6.423 13.398 120 HD13 LEU 15 3HD1 LEU 15 -2.447 5.251 14.629 121 HD21 LEU 15 3HD2 LEU 15 -1.858 5.077 11.602 122 HD22 LEU 15 1HD2 LEU 15 -2.286 3.379 11.401 123 HD23 LEU 15 2HD2 LEU 15 -1.326 3.888 12.791 124 H THR 16 HN THR 16 -6.450 1.269 13.332 125 HA THR 16 HA THR 16 -5.960 -0.577 15.417 126 HB THR 16 HB THR 16 -8.445 -0.272 13.710 127 HG1 THR 16 1HG THR 16 -7.309 1.323 15.613 128 HG21 THR 16 3HG2 THR 16 -9.626 -1.243 15.620 129 HG22 THR 16 1HG2 THR 16 -8.093 -1.457 16.468 130 HG23 THR 16 2HG2 THR 16 -8.420 -2.365 14.993 131 H ARG 17 HN ARG 17 -6.394 -0.927 11.952 132 HA ARG 17 HA ARG 17 -6.469 -3.814 12.072 133 HE ARG 17 HE ARG 17 -9.362 -4.412 8.913 134 HB2 ARG 17 2HB ARG 17 -7.660 -2.416 10.329 135 HB3 ARG 17 1HB ARG 17 -6.085 -2.053 9.641 136 HG2 ARG 17 2HG ARG 17 -5.726 -4.369 9.110 137 HG3 ARG 17 1HG ARG 17 -7.210 -4.829 9.944 138 HD2 ARG 17 2HD ARG 17 -7.176 -2.934 7.608 139 HD3 ARG 17 1HD ARG 17 -7.323 -4.678 7.412 140 HH11 ARG 17 1HH1 ARG 17 -8.248 -1.882 6.772 141 HH12 ARG 17 2HH1 ARG 17 -9.836 -1.256 6.455 142 HH21 ARG 17 1HH2 ARG 17 -11.471 -3.600 8.502 143 HH22 ARG 17 2HH2 ARG 17 -11.663 -2.232 7.449 144 H GLY 18 HN GLY 18 -4.781 -4.958 10.501 145 HA2 GLY 18 2HA GLY 18 -2.241 -4.500 11.775 146 HA3 GLY 18 1HA GLY 18 -2.620 -5.781 10.638 147 H TRP 19 HN TRP 19 -2.820 -2.264 10.231 148 HA TRP 19 HA TRP 19 -0.993 -2.501 7.950 149 HD1 TRP 19 1HD TRP 19 -2.701 -3.744 7.277 150 HE1 TRP 19 1HE TRP 19 -4.764 -4.329 5.883 151 HE3 TRP 19 3HE TRP 19 -4.742 0.923 6.847 152 HZ2 TRP 19 2HZ TRP 19 -6.965 -2.992 4.719 153 HZ3 TRP 19 3HZ TRP 19 -6.826 1.182 5.571 154 HH2 TRP 19 2HH TRP 19 -7.912 -0.738 4.530 155 HB2 TRP 19 2HB TRP 19 -2.990 -0.343 8.653 156 HB3 TRP 19 1HB TRP 19 -1.933 -0.313 7.244 157 H GLN 20 HN GLN 20 0.875 -1.390 7.845 158 HA GLN 20 HA GLN 20 1.707 0.080 10.220 159 HB2 GLN 20 2HB GLN 20 3.155 -1.230 7.941 160 HB3 GLN 20 1HB GLN 20 3.956 -0.024 8.919 161 HG2 GLN 20 2HG GLN 20 4.570 -2.137 9.768 162 HG3 GLN 20 1HG GLN 20 3.454 -1.418 10.926 163 HE21 GLN 20 1HE2 GLN 20 1.439 -2.330 11.219 164 HE22 GLN 20 2HE2 GLN 20 1.015 -3.886 10.593 165 HA PRO 21 HA PRO 21 1.420 3.856 7.831 166 HB2 PRO 21 2HB PRO 21 2.619 5.326 9.966 167 HB3 PRO 21 1HB PRO 21 0.908 5.217 9.559 168 HG2 PRO 21 2HG PRO 21 2.079 4.184 11.855 169 HG3 PRO 21 1HG PRO 21 0.505 3.703 11.199 170 HD2 PRO 21 2HD PRO 21 3.150 2.336 10.985 171 HD3 PRO 21 1HD PRO 21 1.520 1.638 11.115 172 H VAL 22 HN VAL 22 2.842 4.260 6.265 173 HA VAL 22 HA VAL 22 5.711 4.125 6.921 174 HB VAL 22 HB VAL 22 6.089 3.701 4.508 175 HG11 VAL 22 1HG1 VAL 22 5.261 1.384 4.515 176 HG12 VAL 22 2HG1 VAL 22 4.234 1.771 5.894 177 HG13 VAL 22 3HG1 VAL 22 5.987 1.840 6.055 178 HG21 VAL 22 3HG2 VAL 22 3.077 3.544 4.388 179 HG22 VAL 22 1HG2 VAL 22 4.174 3.047 3.100 180 HG23 VAL 22 2HG2 VAL 22 4.098 4.740 3.590 181 H GLU 23 HN GLU 23 7.154 5.563 5.903 182 HA GLU 23 HA GLU 23 5.960 8.114 5.036 183 HB2 GLU 23 2HB GLU 23 8.588 7.652 6.462 184 HB3 GLU 23 1HB GLU 23 7.988 9.208 5.916 185 HG2 GLU 23 2HG GLU 23 6.036 8.897 7.447 186 HG3 GLU 23 1HG GLU 23 6.847 7.464 8.081 187 H ALA 24 HN ALA 24 7.560 9.393 3.639 188 HA ALA 24 HA ALA 24 8.180 7.834 1.365 189 HB1 ALA 24 1HB ALA 24 9.142 9.890 0.451 190 HB2 ALA 24 2HB ALA 24 9.059 10.640 2.045 191 HB3 ALA 24 3HB ALA 24 7.575 10.188 1.204 192 H SER 25 HN SER 25 10.004 8.673 4.174 193 HA SER 25 HA SER 25 12.557 8.106 2.917 194 HG SER 25 HG SER 25 11.468 8.719 6.532 195 HB2 SER 25 2HB SER 25 13.288 8.579 5.397 196 HB3 SER 25 1HB SER 25 12.769 9.903 4.351 197 H THR 26 HN THR 26 10.167 6.306 4.557 198 HA THR 26 HA THR 26 12.175 4.231 5.158 199 HB THR 26 HB THR 26 11.315 5.245 7.243 200 HG1 THR 26 1HG THR 26 11.006 2.557 6.582 201 HG21 THR 26 3HG2 THR 26 8.997 4.840 7.934 202 HG22 THR 26 1HG2 THR 26 8.649 4.141 6.351 203 HG23 THR 26 2HG2 THR 26 9.070 5.848 6.487 204 H VAL 27 HN VAL 27 9.524 4.984 3.294 205 HA VAL 27 HA VAL 27 7.972 2.651 3.437 206 HB VAL 27 HB VAL 27 7.151 4.700 2.373 207 HG11 VAL 27 1HG1 VAL 27 7.839 5.269 0.068 208 HG12 VAL 27 2HG1 VAL 27 9.123 4.066 0.182 209 HG13 VAL 27 3HG1 VAL 27 9.136 5.473 1.245 210 HG21 VAL 27 3HG2 VAL 27 6.046 2.612 1.834 211 HG22 VAL 27 1HG2 VAL 27 7.189 2.318 0.524 212 HG23 VAL 27 2HG2 VAL 27 6.062 3.669 0.424 213 H ASP 28 HN ASP 28 10.829 3.425 1.521 214 HA ASP 28 HA ASP 28 10.658 1.155 -0.174 215 HB2 ASP 28 2HB ASP 28 12.937 1.708 -0.847 216 HB3 ASP 28 1HB ASP 28 11.957 3.169 -0.768 217 H ASP 29 HN ASP 29 11.964 1.701 3.004 218 HA ASP 29 HA ASP 29 13.554 -0.689 3.056 219 HB2 ASP 29 2HB ASP 29 14.129 1.217 4.489 220 HB3 ASP 29 1HB ASP 29 12.594 1.051 5.338 221 H TRP 30 HN TRP 30 10.400 0.285 4.323 222 HA TRP 30 HA TRP 30 9.730 -2.062 5.659 223 HD1 TRP 30 1HD TRP 30 7.351 -1.570 7.666 224 HE1 TRP 30 1HE TRP 30 5.194 -2.980 7.705 225 HE3 TRP 30 3HE TRP 30 6.336 -1.620 2.658 226 HZ2 TRP 30 2HZ TRP 30 3.310 -3.975 5.846 227 HZ3 TRP 30 3HZ TRP 30 4.340 -2.818 1.871 228 HH2 TRP 30 2HH TRP 30 2.861 -3.970 3.432 229 HB2 TRP 30 2HB TRP 30 8.410 0.021 5.789 230 HB3 TRP 30 1HB TRP 30 7.878 -0.216 4.130 231 H ILE 31 HN ILE 31 9.200 -1.157 2.278 232 HA ILE 31 HA ILE 31 7.931 -3.516 1.441 233 HB ILE 31 HB ILE 31 9.696 -1.673 -0.181 234 HG12 ILE 31 2HG1 ILE 31 6.687 -1.646 0.044 235 HG13 ILE 31 1HG1 ILE 31 7.725 -0.650 1.060 236 HG21 ILE 31 1HG2 ILE 31 9.333 -3.776 -1.321 237 HG22 ILE 31 2HG2 ILE 31 8.387 -2.508 -2.100 238 HG23 ILE 31 3HG2 ILE 31 7.598 -3.665 -1.029 239 HD11 ILE 31 3HD1 ILE 31 8.617 0.444 -0.926 240 HD12 ILE 31 1HD1 ILE 31 6.865 0.610 -0.824 241 HD13 ILE 31 2HD1 ILE 31 7.577 -0.553 -1.943 242 H LYS 32 HN LYS 32 11.345 -2.599 1.521 243 HA LYS 32 HA LYS 32 12.487 -4.870 0.374 244 HB2 LYS 32 2HB LYS 32 13.848 -2.952 0.827 245 HB3 LYS 32 1HB LYS 32 13.452 -2.998 2.539 246 HG2 LYS 32 2HG LYS 32 14.590 -5.433 2.225 247 HG3 LYS 32 1HG LYS 32 15.477 -4.488 1.029 248 HD2 LYS 32 2HD LYS 32 15.145 -3.785 3.934 249 HD3 LYS 32 1HD LYS 32 16.599 -4.460 3.205 250 HE2 LYS 32 2HE LYS 32 16.841 -2.478 1.816 251 HE3 LYS 32 1HE LYS 32 15.349 -1.809 2.478 252 HZ1 LYS 32 3HZ LYS 32 17.744 -2.454 4.111 253 HZ2 LYS 32 1HZ LYS 32 16.352 -1.624 4.623 254 HZ3 LYS 32 2HZ LYS 32 17.407 -0.911 3.497 255 H ARG 33 HN ARG 33 11.326 -4.277 3.619 256 HA ARG 33 HA ARG 33 12.624 -6.554 4.772 257 HE ARG 33 HE ARG 33 13.952 -5.092 9.201 258 HB2 ARG 33 2HB ARG 33 11.439 -4.130 5.623 259 HB3 ARG 33 1HB ARG 33 10.583 -5.432 6.427 260 HG2 ARG 33 2HG ARG 33 12.511 -6.179 7.518 261 HG3 ARG 33 1HG ARG 33 13.576 -5.304 6.413 262 HD2 ARG 33 2HD ARG 33 12.790 -3.186 7.318 263 HD3 ARG 33 1HD ARG 33 11.689 -4.037 8.396 264 HH11 ARG 33 1HH1 ARG 33 13.466 -1.755 8.228 265 HH12 ARG 33 2HH1 ARG 33 14.543 -1.128 9.436 266 HH21 ARG 33 1HH2 ARG 33 15.388 -4.247 10.780 267 HH22 ARG 33 2HH2 ARG 33 15.633 -2.522 10.872 268 H VAL 34 HN VAL 34 9.372 -5.714 3.713 269 HA VAL 34 HA VAL 34 8.324 -8.248 4.661 270 HB VAL 34 HB VAL 34 6.168 -7.526 3.710 271 HG11 VAL 34 1HG1 VAL 34 5.794 -5.662 5.261 272 HG12 VAL 34 2HG1 VAL 34 7.537 -5.472 5.444 273 HG13 VAL 34 3HG1 VAL 34 6.750 -6.949 5.997 274 HG21 VAL 34 3HG2 VAL 34 7.659 -5.024 2.906 275 HG22 VAL 34 1HG2 VAL 34 5.908 -5.240 2.841 276 HG23 VAL 34 2HG2 VAL 34 6.957 -6.217 1.812 277 H GLY 35 HN GLY 35 8.947 -6.719 1.496 278 HA2 GLY 35 2HA GLY 35 9.808 -7.972 -0.331 279 HA3 GLY 35 1HA GLY 35 9.057 -9.410 0.337 280 H ASP 36 HN ASP 36 6.557 -8.982 0.633 281 HA ASP 36 HA ASP 36 5.568 -7.977 -1.940 282 HB2 ASP 36 2HB ASP 36 4.728 -10.532 -0.553 283 HB3 ASP 36 1HB ASP 36 4.094 -9.916 -2.066 284 H GLY 37 HN GLY 37 3.650 -6.850 -1.854 285 HA2 GLY 37 2HA GLY 37 1.639 -7.062 0.018 286 HA3 GLY 37 1HA GLY 37 2.805 -5.958 0.730 287 H VAL 38 HN VAL 38 0.782 -4.607 0.592 288 HA VAL 38 HA VAL 38 0.845 -3.090 -1.914 289 HB VAL 38 HB VAL 38 -1.649 -2.780 -1.761 290 HG11 VAL 38 1HG1 VAL 38 -2.190 -4.928 -2.825 291 HG12 VAL 38 2HG1 VAL 38 -0.640 -5.572 -2.284 292 HG13 VAL 38 3HG1 VAL 38 -0.687 -4.237 -3.433 293 HG21 VAL 38 3HG2 VAL 38 -2.948 -4.471 -0.550 294 HG22 VAL 38 1HG2 VAL 38 -1.972 -3.491 0.544 295 HG23 VAL 38 2HG2 VAL 38 -1.456 -5.126 0.128 296 H ILE 39 HN ILE 39 0.702 -0.932 -1.686 297 HA ILE 39 HA ILE 39 0.395 0.102 1.053 298 HB ILE 39 HB ILE 39 2.037 1.112 -1.265 299 HG12 ILE 39 2HG1 ILE 39 3.771 1.289 0.578 300 HG13 ILE 39 1HG1 ILE 39 2.627 0.459 1.625 301 HG21 ILE 39 1HG2 ILE 39 1.245 2.682 1.183 302 HG22 ILE 39 2HG2 ILE 39 0.803 3.040 -0.486 303 HG23 ILE 39 3HG2 ILE 39 2.486 3.165 0.027 304 HD11 ILE 39 3HD1 ILE 39 4.316 -1.045 0.717 305 HD12 ILE 39 1HD1 ILE 39 3.779 -0.655 -0.917 306 HD13 ILE 39 2HD1 ILE 39 2.691 -1.487 0.194 307 H LEU 40 HN LEU 40 -1.282 1.375 1.475 308 HA LEU 40 HA LEU 40 -2.990 2.238 -0.745 309 HG LEU 40 HG LEU 40 -3.538 -0.081 1.234 310 HB2 LEU 40 2HB LEU 40 -3.479 2.180 2.235 311 HB3 LEU 40 1HB LEU 40 -4.643 2.722 1.042 312 HD11 LEU 40 1HD1 LEU 40 -4.984 0.449 3.115 313 HD12 LEU 40 2HD1 LEU 40 -5.784 -0.668 2.009 314 HD13 LEU 40 3HD1 LEU 40 -6.225 1.039 2.010 315 HD21 LEU 40 3HD2 LEU 40 -5.728 1.077 -0.485 316 HD22 LEU 40 1HD2 LEU 40 -5.276 -0.627 -0.391 317 HD23 LEU 40 2HD2 LEU 40 -4.139 0.551 -1.046 318 H LEU 41 HN LEU 41 -3.208 4.335 -1.314 319 HA LEU 41 HA LEU 41 -1.680 6.302 0.219 320 HG LEU 41 HG LEU 41 -1.057 5.104 -2.597 321 HB2 LEU 41 2HB LEU 41 -3.068 6.535 -2.449 322 HB3 LEU 41 1HB LEU 41 -2.106 7.789 -1.704 323 HD11 LEU 41 1HD1 LEU 41 0.079 6.401 -4.344 324 HD12 LEU 41 2HD1 LEU 41 -0.778 7.847 -3.813 325 HD13 LEU 41 3HD1 LEU 41 -1.676 6.488 -4.487 326 HD21 LEU 41 3HD2 LEU 41 0.386 7.540 -1.554 327 HD22 LEU 41 1HD2 LEU 41 1.142 6.063 -2.157 328 HD23 LEU 41 2HD2 LEU 41 0.167 6.020 -0.687 329 H SER 42 HN SER 42 -2.635 8.327 0.803 330 HA SER 42 HA SER 42 -5.320 8.107 1.766 331 HG SER 42 HG SER 42 -5.785 9.891 3.243 332 HB2 SER 42 2HB SER 42 -3.526 9.446 2.908 333 HB3 SER 42 1HB SER 42 -3.599 10.601 1.578 334 H SER 43 HN SER 43 -3.748 10.265 -0.571 335 HA SER 43 HA SER 43 -4.330 11.005 -2.622 336 HG SER 43 HG SER 43 -6.728 10.723 -4.142 337 HB2 SER 43 2HB SER 43 -5.090 8.682 -3.033 338 HB3 SER 43 1HB SER 43 -6.689 9.120 -2.432 339 H ASP 44 HN ASP 44 -7.160 10.653 -0.532 340 HA ASP 44 HA ASP 44 -8.737 12.122 0.173 341 HB2 ASP 44 2HB ASP 44 -7.221 14.011 0.126 342 HB3 ASP 44 1HB ASP 44 -7.388 14.149 -1.622 343 HA PRO 45 HA PRO 45 -11.485 11.032 -3.130 344 HB2 PRO 45 2HB PRO 45 -13.672 11.454 -1.307 345 HB3 PRO 45 1HB PRO 45 -12.982 9.926 -1.848 346 HG2 PRO 45 2HG PRO 45 -12.810 10.866 0.723 347 HG3 PRO 45 1HG PRO 45 -11.661 9.726 0.003 348 HD2 PRO 45 2HD PRO 45 -11.408 12.685 0.395 349 HD3 PRO 45 1HD PRO 45 -10.188 11.408 0.601 350 H ARG 46 HN ARG 46 -10.592 13.690 -3.181 351 HA ARG 46 HA ARG 46 -12.627 15.628 -3.065 352 HE ARG 46 HE ARG 46 -11.201 19.815 -5.393 353 HB2 ARG 46 2HB ARG 46 -10.193 16.106 -3.252 354 HB3 ARG 46 1HB ARG 46 -10.233 15.528 -4.911 355 HG2 ARG 46 2HG ARG 46 -11.754 17.323 -5.516 356 HG3 ARG 46 1HG ARG 46 -11.750 17.899 -3.846 357 HD2 ARG 46 2HD ARG 46 -9.317 18.251 -4.004 358 HD3 ARG 46 1HD ARG 46 -9.370 17.732 -5.689 359 HH11 ARG 46 1HH1 ARG 46 -7.747 19.295 -5.184 360 HH12 ARG 46 2HH1 ARG 46 -7.331 20.918 -5.640 361 HH21 ARG 46 1HH2 ARG 46 -10.671 21.961 -5.990 362 HH22 ARG 46 2HH2 ARG 46 -9.004 22.439 -6.108 363 H ARG 47 HN ARG 47 -11.254 14.071 -5.954 364 HA ARG 47 HA ARG 47 -13.912 14.230 -7.210 365 HE ARG 47 HE ARG 47 -12.902 13.633 -12.577 366 HB2 ARG 47 2HB ARG 47 -12.127 15.446 -8.427 367 HB3 ARG 47 1HB ARG 47 -11.203 13.953 -8.540 368 HG2 ARG 47 2HG ARG 47 -12.750 12.989 -10.025 369 HG3 ARG 47 1HG ARG 47 -13.971 14.212 -9.675 370 HD2 ARG 47 2HD ARG 47 -12.575 15.914 -10.728 371 HD3 ARG 47 1HD ARG 47 -11.335 14.704 -11.056 372 HH11 ARG 47 1HH1 ARG 47 -13.685 16.897 -11.560 373 HH12 ARG 47 2HH1 ARG 47 -14.653 17.241 -12.960 374 HH21 ARG 47 1HH2 ARG 47 -14.203 14.060 -14.398 375 HH22 ARG 47 2HH2 ARG 47 -14.963 15.618 -14.568 376 H THR 48 HN THR 48 -14.740 12.325 -8.164 377 HA THR 48 HA THR 48 -15.313 10.137 -7.993 378 HB THR 48 HB THR 48 -12.343 9.644 -7.634 379 HG1 THR 48 1HG THR 48 -13.759 10.476 -9.752 380 HG21 THR 48 3HG2 THR 48 -13.707 7.735 -6.928 381 HG22 THR 48 1HG2 THR 48 -12.848 7.376 -8.426 382 HG23 THR 48 2HG2 THR 48 -14.564 7.772 -8.468 383 HA PRO 49 HA PRO 49 -15.069 10.605 -3.457 384 HB2 PRO 49 2HB PRO 49 -17.612 11.220 -2.987 385 HB3 PRO 49 1HB PRO 49 -16.519 12.399 -3.724 386 HG2 PRO 49 2HG PRO 49 -18.639 10.728 -4.991 387 HG3 PRO 49 1HG PRO 49 -18.149 12.392 -5.358 388 HD2 PRO 49 2HD PRO 49 -17.346 10.076 -6.734 389 HD3 PRO 49 1HD PRO 49 -16.613 11.684 -6.872 390 H GLU 50 HN GLU 50 -16.593 9.723 -1.700 391 HA GLU 50 HA GLU 50 -17.647 8.041 -0.631 392 HB2 GLU 50 2HB GLU 50 -18.365 7.076 -3.401 393 HB3 GLU 50 1HB GLU 50 -19.001 6.402 -1.906 394 HG2 GLU 50 2HG GLU 50 -20.138 8.415 -1.380 395 HG3 GLU 50 1HG GLU 50 -19.317 9.289 -2.673 396 H VAL 51 HN VAL 51 -16.730 6.077 -3.421 397 HA VAL 51 HA VAL 51 -15.753 4.019 -3.456 398 HB VAL 51 HB VAL 51 -13.920 5.629 -3.908 399 HG11 VAL 51 1HG1 VAL 51 -13.170 5.201 -1.023 400 HG12 VAL 51 2HG1 VAL 51 -13.685 6.715 -1.766 401 HG13 VAL 51 3HG1 VAL 51 -12.154 5.978 -2.239 402 HG21 VAL 51 3HG2 VAL 51 -12.085 4.011 -3.625 403 HG22 VAL 51 1HG2 VAL 51 -13.559 3.282 -4.266 404 HG23 VAL 51 2HG2 VAL 51 -13.125 3.052 -2.571 405 H SER 52 HN SER 52 -17.453 3.952 -1.462 406 HA SER 52 HA SER 52 -18.081 2.595 0.233 407 HG SER 52 HG SER 52 -16.012 0.983 2.242 408 HB2 SER 52 2HB SER 52 -16.417 0.947 -0.516 409 HB3 SER 52 1HB SER 52 -15.178 1.765 0.435 410 H ASP 53 HN ASP 53 -15.386 4.744 0.652 411 HA ASP 53 HA ASP 53 -14.722 6.131 2.304 412 HB2 ASP 53 2HB ASP 53 -17.096 6.818 2.381 413 HB3 ASP 53 1HB ASP 53 -17.410 5.559 3.570 414 H ASN 54 HN ASN 54 -13.217 5.724 3.727 415 HA ASN 54 HA ASN 54 -11.908 4.645 5.234 416 HB2 ASN 54 2HB ASN 54 -14.524 3.390 6.084 417 HB3 ASN 54 1HB ASN 54 -12.988 2.979 6.837 418 HD21 ASN 54 1HD2 ASN 54 -13.779 6.204 5.719 419 HD22 ASN 54 2HD2 ASN 54 -13.883 6.919 7.288 420 HA PRO 55 HA PRO 55 -10.802 1.480 2.299 421 HB2 PRO 55 2HB PRO 55 -8.537 0.715 3.708 422 HB3 PRO 55 1HB PRO 55 -8.611 1.993 2.496 423 HG2 PRO 55 2HG PRO 55 -8.696 2.197 5.471 424 HG3 PRO 55 1HG PRO 55 -7.909 3.263 4.292 425 HD2 PRO 55 2HD PRO 55 -10.212 3.949 5.469 426 HD3 PRO 55 1HD PRO 55 -9.890 4.351 3.768 427 H VAL 56 HN VAL 56 -12.405 0.005 2.615 428 HA VAL 56 HA VAL 56 -11.670 -2.232 4.384 429 HB VAL 56 HB VAL 56 -14.070 -2.821 4.566 430 HG11 VAL 56 1HG1 VAL 56 -14.700 -1.093 6.181 431 HG12 VAL 56 2HG1 VAL 56 -13.414 -0.054 5.567 432 HG13 VAL 56 3HG1 VAL 56 -13.013 -1.572 6.369 433 HG21 VAL 56 3HG2 VAL 56 -14.548 -0.143 3.268 434 HG22 VAL 56 1HG2 VAL 56 -15.785 -1.184 3.970 435 HG23 VAL 56 2HG2 VAL 56 -14.882 -1.720 2.551 436 H MET 57 HN MET 57 -12.699 -4.312 3.556 437 HA MET 57 HA MET 57 -13.041 -5.875 1.942 438 HB2 MET 57 2HB MET 57 -13.489 -3.525 0.095 439 HB3 MET 57 1HB MET 57 -13.777 -5.208 -0.328 440 HG2 MET 57 2HG MET 57 -15.474 -5.365 1.403 441 HG3 MET 57 1HG MET 57 -15.171 -3.691 1.864 442 HE1 MET 57 3HE MET 57 -16.390 -1.731 -1.290 443 HE2 MET 57 1HE MET 57 -14.749 -2.278 -0.947 444 HE3 MET 57 2HE MET 57 -15.743 -1.608 0.346 445 H ILE 58 HN ILE 58 -10.733 -3.362 1.483 446 HA ILE 58 HA ILE 58 -9.188 -4.429 -0.603 447 HB ILE 58 HB ILE 58 -8.926 -2.128 0.298 448 HG12 ILE 58 2HG1 ILE 58 -6.410 -2.091 0.300 449 HG13 ILE 58 1HG1 ILE 58 -6.436 -3.853 0.313 450 HG21 ILE 58 1HG2 ILE 58 -7.638 -3.506 2.645 451 HG22 ILE 58 2HG2 ILE 58 -9.140 -2.582 2.656 452 HG23 ILE 58 3HG2 ILE 58 -7.608 -1.769 2.339 453 HD11 ILE 58 3HD1 ILE 58 -7.582 -2.090 -1.840 454 HD12 ILE 58 1HD1 ILE 58 -7.592 -3.854 -1.831 455 HD13 ILE 58 2HD1 ILE 58 -6.063 -2.982 -1.923 456 H ALA 59 HN ALA 59 -9.526 -5.363 2.709 457 HA ALA 59 HA ALA 59 -7.119 -6.919 2.864 458 HB1 ALA 59 1HB ALA 59 -9.583 -7.004 4.604 459 HB2 ALA 59 2HB ALA 59 -8.167 -5.991 4.875 460 HB3 ALA 59 3HB ALA 59 -8.026 -7.746 4.970 461 H GLU 60 HN GLU 60 -10.354 -7.413 1.741 462 HA GLU 60 HA GLU 60 -10.436 -10.246 1.883 463 HB2 GLU 60 2HB GLU 60 -12.384 -8.603 1.544 464 HB3 GLU 60 1HB GLU 60 -11.899 -8.565 -0.147 465 HG2 GLU 60 2HG GLU 60 -13.626 -10.135 -0.017 466 HG3 GLU 60 1HG GLU 60 -12.142 -11.082 -0.127 467 H LEU 61 HN LEU 61 -9.125 -7.941 -0.330 468 HA LEU 61 HA LEU 61 -8.839 -9.341 -2.687 469 HG LEU 61 HG LEU 61 -6.827 -6.492 -3.839 470 HB2 LEU 61 2HB LEU 61 -8.169 -6.923 -1.935 471 HB3 LEU 61 1HB LEU 61 -6.616 -7.645 -1.616 472 HD11 LEU 61 1HD1 LEU 61 -6.158 -9.430 -3.925 473 HD12 LEU 61 2HD1 LEU 61 -5.073 -8.138 -3.416 474 HD13 LEU 61 3HD1 LEU 61 -5.636 -8.208 -5.084 475 HD21 LEU 61 3HD2 LEU 61 -9.097 -7.158 -4.379 476 HD22 LEU 61 1HD2 LEU 61 -8.601 -8.850 -4.451 477 HD23 LEU 61 2HD2 LEU 61 -7.978 -7.698 -5.632 478 H LEU 62 HN LEU 62 -6.793 -9.356 0.170 479 HA LEU 62 HA LEU 62 -4.676 -10.907 -0.763 480 HG LEU 62 HG LEU 62 -3.204 -9.651 0.719 481 HB2 LEU 62 2HB LEU 62 -5.822 -10.483 1.972 482 HB3 LEU 62 1HB LEU 62 -4.480 -11.581 1.725 483 HD11 LEU 62 1HD1 LEU 62 -3.977 -7.392 1.228 484 HD12 LEU 62 2HD1 LEU 62 -5.482 -8.046 1.874 485 HD13 LEU 62 3HD1 LEU 62 -5.106 -8.226 0.160 486 HD21 LEU 62 3HD2 LEU 62 -2.833 -10.431 2.998 487 HD22 LEU 62 1HD2 LEU 62 -4.116 -9.370 3.578 488 HD23 LEU 62 2HD2 LEU 62 -2.646 -8.683 2.884 489 H ARG 63 HN ARG 63 -7.889 -11.907 -0.102 490 HA ARG 63 HA ARG 63 -7.271 -14.663 0.456 491 HE ARG 63 HE ARG 63 -10.298 -14.160 4.226 492 HB2 ARG 63 2HB ARG 63 -9.881 -13.401 -0.415 493 HB3 ARG 63 1HB ARG 63 -9.687 -15.044 0.175 494 HG2 ARG 63 2HG ARG 63 -9.135 -12.554 1.770 495 HG3 ARG 63 1HG ARG 63 -10.605 -13.522 1.862 496 HD2 ARG 63 2HD ARG 63 -9.134 -15.477 2.475 497 HD3 ARG 63 1HD ARG 63 -7.810 -14.322 2.640 498 HH11 ARG 63 1HH1 ARG 63 -6.805 -14.014 3.969 499 HH12 ARG 63 2HH1 ARG 63 -6.578 -13.558 5.639 500 HH21 ARG 63 1HH2 ARG 63 -10.015 -13.585 6.407 501 HH22 ARG 63 2HH2 ARG 63 -8.412 -13.296 7.025 502 H GLU 64 HN GLU 64 -7.484 -12.744 -2.377 503 HA GLU 64 HA GLU 64 -8.382 -14.893 -4.084 504 HB2 GLU 64 2HB GLU 64 -7.549 -12.056 -4.706 505 HB3 GLU 64 1HB GLU 64 -8.286 -13.174 -5.834 506 HG2 GLU 64 2HG GLU 64 -9.591 -12.231 -3.300 507 HG3 GLU 64 1HG GLU 64 -9.846 -11.496 -4.880 508 H PHE 65 HN PHE 65 -5.435 -13.267 -3.189 509 HA PHE 65 HA PHE 65 -3.992 -15.009 -5.075 510 HD1 PHE 65 2HD PHE 65 -4.526 -14.227 -6.931 511 HD2 PHE 65 1HD PHE 65 -3.516 -10.386 -5.424 512 HE1 PHE 65 2HE PHE 65 -5.684 -13.188 -8.836 513 HE2 PHE 65 1HE PHE 65 -4.681 -9.333 -7.322 514 HZ PHE 65 HZ PHE 65 -5.764 -10.734 -9.033 515 HB2 PHE 65 2HB PHE 65 -3.099 -12.275 -4.130 516 HB3 PHE 65 1HB PHE 65 -2.238 -13.322 -5.248 517 HA PRO 66 HA PRO 66 -2.652 -16.050 -0.788 518 HB2 PRO 66 2HB PRO 66 -3.080 -18.822 -1.398 519 HB3 PRO 66 1HB PRO 66 -3.995 -17.799 -0.289 520 HG2 PRO 66 2HG PRO 66 -4.999 -18.836 -2.631 521 HG3 PRO 66 1HG PRO 66 -5.626 -17.387 -1.826 522 HD2 PRO 66 2HD PRO 66 -3.774 -17.605 -4.170 523 HD3 PRO 66 1HD PRO 66 -5.111 -16.468 -3.887 524 H GLN 67 HN GLN 67 -1.405 -16.294 -3.744 525 HA GLN 67 HA GLN 67 0.623 -18.243 -3.511 526 HB2 GLN 67 2HB GLN 67 0.477 -15.700 -5.143 527 HB3 GLN 67 1HB GLN 67 1.776 -16.876 -5.290 528 HG2 GLN 67 2HG GLN 67 -1.142 -17.419 -5.801 529 HG3 GLN 67 1HG GLN 67 0.087 -17.143 -7.034 530 HE21 GLN 67 1HE2 GLN 67 -1.604 -19.470 -6.621 531 HE22 GLN 67 2HE2 GLN 67 -0.529 -20.805 -6.386 532 H PHE 68 HN PHE 68 0.547 -14.781 -2.796 533 HA PHE 68 HA PHE 68 3.090 -15.061 -1.344 534 HD1 PHE 68 2HD PHE 68 4.617 -14.166 -3.528 535 HD2 PHE 68 1HD PHE 68 0.911 -12.174 -4.023 536 HE1 PHE 68 2HE PHE 68 4.937 -14.203 -5.970 537 HE2 PHE 68 1HE PHE 68 1.204 -12.193 -6.459 538 HZ PHE 68 HZ PHE 68 3.226 -13.207 -7.438 539 HB2 PHE 68 2HB PHE 68 1.785 -12.421 -1.912 540 HB3 PHE 68 1HB PHE 68 3.490 -12.791 -1.690 541 H ASP 69 HN ASP 69 3.251 -14.166 0.769 542 HA ASP 69 HA ASP 69 0.701 -13.762 2.153 543 HB2 ASP 69 2HB ASP 69 2.342 -15.289 3.210 544 HB3 ASP 69 1HB ASP 69 3.508 -13.973 3.280 545 H TRP 70 HN TRP 70 0.066 -11.750 1.589 546 HA TRP 70 HA TRP 70 1.965 -9.649 1.127 547 HD1 TRP 70 1HD TRP 70 -0.684 -12.066 -0.112 548 HE1 TRP 70 1HE TRP 70 -0.685 -12.450 -2.652 549 HE3 TRP 70 3HE TRP 70 0.410 -7.314 -1.658 550 HZ2 TRP 70 2HZ TRP 70 -0.303 -10.939 -4.999 551 HZ3 TRP 70 3HZ TRP 70 0.567 -6.871 -4.075 552 HH2 TRP 70 2HH TRP 70 0.219 -8.653 -5.709 553 HB2 TRP 70 2HB TRP 70 -1.049 -9.481 1.196 554 HB3 TRP 70 1HB TRP 70 0.043 -8.290 0.514 555 H GLN 71 HN GLN 71 2.380 -7.880 2.326 556 HA GLN 71 HA GLN 71 0.855 -7.511 4.817 557 HB2 GLN 71 2HB GLN 71 3.641 -6.585 4.085 558 HB3 GLN 71 1HB GLN 71 2.782 -6.033 5.513 559 HG2 GLN 71 2HG GLN 71 4.181 -7.711 6.298 560 HG3 GLN 71 1HG GLN 71 2.612 -8.500 6.149 561 HE21 GLN 71 1HE2 GLN 71 3.464 -10.535 5.959 562 HE22 GLN 71 2HE2 GLN 71 4.297 -11.067 4.540 563 H VAL 72 HN VAL 72 -0.132 -5.529 5.184 564 HA VAL 72 HA VAL 72 -0.239 -3.793 2.808 565 HB VAL 72 HB VAL 72 -2.333 -3.989 4.974 566 HG11 VAL 72 1HG1 VAL 72 -2.372 -2.763 2.223 567 HG12 VAL 72 2HG1 VAL 72 -2.381 -1.902 3.762 568 HG13 VAL 72 3HG1 VAL 72 -3.763 -2.893 3.298 569 HG21 VAL 72 3HG2 VAL 72 -2.165 -6.143 3.860 570 HG22 VAL 72 1HG2 VAL 72 -2.275 -5.356 2.285 571 HG23 VAL 72 2HG2 VAL 72 -3.653 -5.321 3.387 572 H ALA 73 HN ALA 73 0.217 -1.673 2.992 573 HA ALA 73 HA ALA 73 0.649 -0.591 5.695 574 HB1 ALA 73 1HB ALA 73 2.818 -1.152 4.692 575 HB2 ALA 73 2HB ALA 73 2.628 0.588 4.917 576 HB3 ALA 73 3HB ALA 73 2.439 -0.119 3.314 577 H VAL 74 HN VAL 74 0.421 1.687 5.875 578 HA VAL 74 HA VAL 74 -1.021 2.947 3.639 579 HB VAL 74 HB VAL 74 -2.333 4.229 5.373 580 HG11 VAL 74 1HG1 VAL 74 -3.964 2.455 5.713 581 HG12 VAL 74 2HG1 VAL 74 -2.753 1.247 5.287 582 HG13 VAL 74 3HG1 VAL 74 -3.305 2.405 4.077 583 HG21 VAL 74 3HG2 VAL 74 -2.549 3.274 7.602 584 HG22 VAL 74 1HG2 VAL 74 -0.882 3.756 7.298 585 HG23 VAL 74 2HG2 VAL 74 -1.335 2.055 7.216 586 H ALA 75 HN ALA 75 -0.680 5.139 3.348 587 HA ALA 75 HA ALA 75 1.801 6.122 4.521 588 HB1 ALA 75 1HB ALA 75 1.528 6.172 2.083 589 HB2 ALA 75 2HB ALA 75 1.754 7.786 2.756 590 HB3 ALA 75 3HB ALA 75 0.145 7.250 2.267 591 H ASP 76 HN ASP 76 1.950 7.901 5.785 592 HA ASP 76 HA ASP 76 -0.194 8.872 7.276 593 HB2 ASP 76 2HB ASP 76 1.922 9.257 8.200 594 HB3 ASP 76 1HB ASP 76 2.569 9.904 6.697 595 H LEU 77 HN LEU 77 -1.272 10.938 7.219 596 HA LEU 77 HA LEU 77 -2.480 11.519 4.806 597 HG LEU 77 HG LEU 77 -3.262 11.273 7.825 598 HB2 LEU 77 2HB LEU 77 -2.133 13.361 7.170 599 HB3 LEU 77 1HB LEU 77 -3.297 13.580 5.876 600 HD11 LEU 77 1HD1 LEU 77 -3.903 13.379 8.870 601 HD12 LEU 77 2HD1 LEU 77 -5.285 12.293 8.730 602 HD13 LEU 77 3HD1 LEU 77 -5.108 13.644 7.611 603 HD21 LEU 77 3HD2 LEU 77 -5.419 10.688 6.844 604 HD22 LEU 77 1HD2 LEU 77 -4.137 10.637 5.634 605 HD23 LEU 77 2HD2 LEU 77 -5.253 12.002 5.679 606 H GLU 78 HN GLU 78 0.281 13.151 6.311 607 HA GLU 78 HA GLU 78 0.543 15.051 4.160 608 HB2 GLU 78 2HB GLU 78 1.209 15.572 6.491 609 HB3 GLU 78 1HB GLU 78 2.467 14.348 6.388 610 HG2 GLU 78 2HG GLU 78 3.391 16.561 6.090 611 HG3 GLU 78 1HG GLU 78 3.560 15.615 4.613 612 H GLN 79 HN GLN 79 2.343 12.223 5.307 613 HA GLN 79 HA GLN 79 4.385 12.323 3.381 614 HB2 GLN 79 2HB GLN 79 3.345 10.056 5.074 615 HB3 GLN 79 1HB GLN 79 4.755 9.907 4.033 616 HG2 GLN 79 2HG GLN 79 4.516 11.984 6.193 617 HG3 GLN 79 1HG GLN 79 5.220 10.390 6.453 618 HE21 GLN 79 1HE2 GLN 79 7.220 11.278 6.976 619 HE22 GLN 79 2HE2 GLN 79 8.262 11.965 5.773 620 H SER 80 HN SER 80 1.162 11.047 3.187 621 HA SER 80 HA SER 80 1.472 9.152 1.162 622 HG SER 80 HG SER 80 -0.491 9.215 -0.256 623 HB2 SER 80 2HB SER 80 -0.606 9.422 2.460 624 HB3 SER 80 1HB SER 80 -0.906 10.960 1.650 625 H GLU 81 HN GLU 81 1.180 12.646 0.984 626 HA GLU 81 HA GLU 81 0.754 12.791 -1.822 627 HB2 GLU 81 2HB GLU 81 0.463 14.596 0.073 628 HB3 GLU 81 1HB GLU 81 2.143 14.960 -0.292 629 HG2 GLU 81 2HG GLU 81 0.886 16.457 -1.577 630 HG3 GLU 81 1HG GLU 81 1.419 15.209 -2.704 631 H ALA 82 HN ALA 82 3.599 12.950 0.259 632 HA ALA 82 HA ALA 82 5.482 13.423 -1.804 633 HB1 ALA 82 1HB ALA 82 7.169 12.911 -0.141 634 HB2 ALA 82 2HB ALA 82 5.946 12.202 0.914 635 HB3 ALA 82 3HB ALA 82 5.914 13.932 0.564 636 H ILE 83 HN ILE 83 4.279 10.477 -0.249 637 HA ILE 83 HA ILE 83 6.079 8.704 -1.527 638 HB ILE 83 HB ILE 83 3.337 8.181 -0.363 639 HG12 ILE 83 2HG1 ILE 83 6.131 7.703 0.703 640 HG13 ILE 83 1HG1 ILE 83 5.017 8.951 1.247 641 HG21 ILE 83 1HG2 ILE 83 3.960 5.803 -0.378 642 HG22 ILE 83 2HG2 ILE 83 5.434 6.203 -1.261 643 HG23 ILE 83 3HG2 ILE 83 3.858 6.467 -2.009 644 HD11 ILE 83 3HD1 ILE 83 5.109 7.056 2.780 645 HD12 ILE 83 1HD1 ILE 83 4.562 5.989 1.486 646 HD13 ILE 83 2HD1 ILE 83 3.500 7.261 2.086 647 H GLY 84 HN GLY 84 2.859 9.893 -2.405 648 HA2 GLY 84 2HA GLY 84 2.456 8.317 -4.692 649 HA3 GLY 84 1HA GLY 84 1.777 9.921 -4.434 650 H ASP 85 HN ASP 85 4.029 11.451 -4.308 651 HA ASP 85 HA ASP 85 4.797 11.832 -6.994 652 HB2 ASP 85 2HB ASP 85 4.833 13.694 -5.499 653 HB3 ASP 85 1HB ASP 85 5.902 12.857 -4.384 654 H ARG 86 HN ARG 86 6.325 10.289 -4.262 655 HA ARG 86 HA ARG 86 8.910 9.950 -5.190 656 HE ARG 86 HE ARG 86 12.032 7.336 -3.559 657 HB2 ARG 86 2HB ARG 86 8.101 9.527 -2.877 658 HB3 ARG 86 1HB ARG 86 7.354 8.039 -3.441 659 HG2 ARG 86 2HG ARG 86 9.444 7.546 -2.370 660 HG3 ARG 86 1HG ARG 86 9.573 7.208 -4.096 661 HD2 ARG 86 2HD ARG 86 10.702 9.327 -4.448 662 HD3 ARG 86 1HD ARG 86 10.530 9.726 -2.740 663 HH11 ARG 86 1HH1 ARG 86 11.892 10.455 -1.985 664 HH12 ARG 86 2HH1 ARG 86 13.473 10.325 -1.282 665 HH21 ARG 86 1HH2 ARG 86 14.120 7.156 -2.673 666 HH22 ARG 86 2HH2 ARG 86 14.732 8.416 -1.640 667 H PHE 87 HN PHE 87 6.084 7.889 -5.716 668 HA PHE 87 HA PHE 87 7.731 6.104 -7.368 669 HD1 PHE 87 1HD PHE 87 8.435 4.311 -6.386 670 HD2 PHE 87 2HD PHE 87 4.918 4.875 -4.055 671 HE1 PHE 87 1HE PHE 87 9.528 3.212 -4.473 672 HE2 PHE 87 2HE PHE 87 6.004 3.776 -2.145 673 HZ PHE 87 HZ PHE 87 8.312 2.943 -2.349 674 HB2 PHE 87 2HB PHE 87 4.981 5.714 -6.177 675 HB3 PHE 87 1HB PHE 87 5.749 4.569 -7.269 676 H ASN 88 HN ASN 88 5.921 8.777 -7.752 677 HA ASN 88 HA ASN 88 4.748 9.762 -9.428 678 HB2 ASN 88 2HB ASN 88 6.343 7.761 -11.039 679 HB3 ASN 88 1HB ASN 88 5.354 9.023 -11.769 680 HD21 ASN 88 1HD2 ASN 88 8.206 8.315 -9.922 681 HD22 ASN 88 2HD2 ASN 88 8.932 9.881 -10.059 682 H VAL 89 HN VAL 89 3.185 8.172 -8.053 683 HA VAL 89 HA VAL 89 1.950 6.071 -9.523 684 HB VAL 89 HB VAL 89 1.932 6.259 -7.025 685 HG11 VAL 89 1HG1 VAL 89 1.446 8.623 -6.806 686 HG12 VAL 89 2HG1 VAL 89 0.222 7.667 -5.969 687 HG13 VAL 89 3HG1 VAL 89 -0.141 8.385 -7.538 688 HG21 VAL 89 3HG2 VAL 89 -0.356 5.426 -6.739 689 HG22 VAL 89 1HG2 VAL 89 0.427 4.728 -8.156 690 HG23 VAL 89 2HG2 VAL 89 -0.762 6.014 -8.351 691 H ARG 90 HN ARG 90 -0.110 6.041 -10.482 692 HA ARG 90 HA ARG 90 -0.820 8.381 -11.931 693 HE ARG 90 HE ARG 90 -1.517 6.365 -15.409 694 HB2 ARG 90 2HB ARG 90 -1.075 6.049 -12.773 695 HB3 ARG 90 1HB ARG 90 -2.352 5.793 -11.595 696 HG2 ARG 90 2HG ARG 90 -3.786 7.332 -12.687 697 HG3 ARG 90 1HG ARG 90 -2.477 7.914 -13.720 698 HD2 ARG 90 2HD ARG 90 -3.588 5.108 -13.735 699 HD3 ARG 90 1HD ARG 90 -4.005 6.368 -14.897 700 HH11 ARG 90 1HH1 ARG 90 -3.263 3.506 -14.367 701 HH12 ARG 90 2HH1 ARG 90 -2.141 2.404 -15.102 702 HH21 ARG 90 1HH2 ARG 90 -0.056 4.911 -16.394 703 HH22 ARG 90 2HH2 ARG 90 -0.343 3.192 -16.279 704 H ARG 91 HN ARG 91 -2.542 9.751 -11.654 705 HA ARG 91 HA ARG 91 -3.269 10.357 -9.036 706 HE ARG 91 HE ARG 91 -2.333 15.042 -9.926 707 HB2 ARG 91 2HB ARG 91 -4.288 11.267 -11.701 708 HB3 ARG 91 1HB ARG 91 -5.064 11.812 -10.219 709 HG2 ARG 91 2HG ARG 91 -2.964 12.742 -9.436 710 HG3 ARG 91 1HG ARG 91 -2.145 12.150 -10.880 711 HD2 ARG 91 2HD ARG 91 -3.408 13.622 -12.278 712 HD3 ARG 91 1HD ARG 91 -4.452 14.085 -10.935 713 HH11 ARG 91 1HH1 ARG 91 -2.829 14.822 -13.384 714 HH12 ARG 91 2HH1 ARG 91 -1.805 16.174 -13.744 715 HH21 ARG 91 1HH2 ARG 91 -0.991 16.825 -10.389 716 HH22 ARG 91 2HH2 ARG 91 -0.758 17.325 -12.039 717 H PHE 92 HN PHE 92 -5.512 10.683 -8.254 718 HA PHE 92 HA PHE 92 -7.494 9.897 -7.506 719 HD1 PHE 92 1HD PHE 92 -9.959 10.241 -8.506 720 HD2 PHE 92 2HD PHE 92 -7.258 9.409 -11.689 721 HE1 PHE 92 1HE PHE 92 -11.008 12.009 -9.851 722 HE2 PHE 92 2HE PHE 92 -8.302 11.183 -13.042 723 HZ PHE 92 HZ PHE 92 -10.179 12.483 -12.121 724 HB2 PHE 92 2HB PHE 92 -7.336 7.984 -9.846 725 HB3 PHE 92 1HB PHE 92 -8.688 8.044 -8.720 726 HA PRO 93 HA PRO 93 -6.409 7.088 -4.359 727 HB2 PRO 93 2HB PRO 93 -8.678 5.386 -4.473 728 HB3 PRO 93 1HB PRO 93 -8.437 6.774 -3.413 729 HG2 PRO 93 2HG PRO 93 -9.926 6.585 -5.973 730 HG3 PRO 93 1HG PRO 93 -10.216 7.633 -4.574 731 HD2 PRO 93 2HD PRO 93 -9.171 8.596 -6.842 732 HD3 PRO 93 1HD PRO 93 -8.631 9.188 -5.255 733 H ALA 94 HN ALA 94 -4.935 5.501 -4.477 734 HA ALA 94 HA ALA 94 -5.351 3.340 -6.413 735 HB1 ALA 94 1HB ALA 94 -3.115 3.654 -7.360 736 HB2 ALA 94 2HB ALA 94 -2.908 5.111 -6.385 737 HB3 ALA 94 3HB ALA 94 -4.144 5.060 -7.642 738 H THR 95 HN THR 95 -4.415 1.471 -5.911 739 HA THR 95 HA THR 95 -2.965 1.304 -3.371 740 HB THR 95 HB THR 95 -4.055 -0.972 -5.042 741 HG1 THR 95 1HG THR 95 -5.341 0.837 -3.432 742 HG21 THR 95 3HG2 THR 95 -2.341 -1.610 -3.416 743 HG22 THR 95 1HG2 THR 95 -3.922 -2.220 -2.927 744 HG23 THR 95 2HG2 THR 95 -3.242 -0.800 -2.133 745 H LEU 96 HN LEU 96 -0.813 0.841 -3.371 746 HA LEU 96 HA LEU 96 0.458 0.427 -5.964 747 HG LEU 96 HG LEU 96 2.658 2.949 -4.358 748 HB2 LEU 96 2HB LEU 96 1.547 1.044 -3.224 749 HB3 LEU 96 1HB LEU 96 2.585 0.570 -4.554 750 HD11 LEU 96 1HD1 LEU 96 2.688 2.089 -6.623 751 HD12 LEU 96 2HD1 LEU 96 1.863 3.646 -6.566 752 HD13 LEU 96 3HD1 LEU 96 0.928 2.156 -6.694 753 HD21 LEU 96 3HD2 LEU 96 0.669 4.358 -4.547 754 HD22 LEU 96 1HD2 LEU 96 0.588 3.306 -3.133 755 HD23 LEU 96 2HD2 LEU 96 -0.348 2.918 -4.576 756 H VAL 97 HN VAL 97 1.091 -1.480 -6.641 757 HA VAL 97 HA VAL 97 0.808 -3.755 -4.817 758 HB VAL 97 HB VAL 97 1.101 -3.768 -7.830 759 HG11 VAL 97 1HG1 VAL 97 0.318 -6.072 -7.678 760 HG12 VAL 97 2HG1 VAL 97 0.257 -5.945 -5.920 761 HG13 VAL 97 3HG1 VAL 97 1.806 -5.847 -6.758 762 HG21 VAL 97 3HG2 VAL 97 -1.308 -4.216 -7.889 763 HG22 VAL 97 1HG2 VAL 97 -0.954 -2.642 -7.174 764 HG23 VAL 97 2HG2 VAL 97 -1.385 -4.004 -6.139 765 H PHE 98 HN PHE 98 2.602 -4.425 -3.869 766 HA PHE 98 HA PHE 98 5.117 -4.153 -5.356 767 HD1 PHE 98 2HD PHE 98 7.379 -2.785 -4.376 768 HD2 PHE 98 1HD PHE 98 3.656 -1.731 -2.614 769 HE1 PHE 98 2HE PHE 98 7.863 -0.427 -4.794 770 HE2 PHE 98 1HE PHE 98 4.132 0.650 -3.030 771 HZ PHE 98 HZ PHE 98 6.245 1.307 -4.120 772 HB2 PHE 98 2HB PHE 98 4.513 -3.954 -2.423 773 HB3 PHE 98 1HB PHE 98 6.137 -4.354 -2.985 774 H THR 99 HN THR 99 6.500 -5.828 -5.501 775 HA THR 99 HA THR 99 5.871 -8.380 -4.284 776 HB THR 99 HB THR 99 6.063 -8.412 -7.274 777 HG1 THR 99 1HG THR 99 3.812 -7.675 -5.746 778 HG21 THR 99 3HG2 THR 99 4.623 -10.193 -5.316 779 HG22 THR 99 1HG2 THR 99 6.217 -10.506 -6.003 780 HG23 THR 99 2HG2 THR 99 4.798 -10.473 -7.049 781 H ASP 100 HN ASP 100 7.612 -9.779 -4.411 782 HA ASP 100 HA ASP 100 9.792 -10.363 -4.374 783 HB2 ASP 100 2HB ASP 100 10.922 -10.426 -6.364 784 HB3 ASP 100 1HB ASP 100 9.287 -10.200 -6.935 785 H GLY 101 HN GLY 101 8.953 -7.666 -3.282 786 HA2 GLY 101 2HA GLY 101 10.180 -6.190 -1.949 787 HA3 GLY 101 1HA GLY 101 11.648 -6.690 -2.779 788 H LYS 102 HN LYS 102 9.692 -6.171 -5.297 789 HA LYS 102 HA LYS 102 10.369 -3.289 -5.370 790 HB2 LYS 102 2HB LYS 102 10.565 -5.327 -7.585 791 HB3 LYS 102 1HB LYS 102 10.695 -3.590 -7.838 792 HG2 LYS 102 2HG LYS 102 12.625 -3.536 -6.315 793 HG3 LYS 102 1HG LYS 102 12.512 -5.286 -6.137 794 HD2 LYS 102 2HD LYS 102 14.226 -4.730 -7.748 795 HD3 LYS 102 1HD LYS 102 12.879 -5.528 -8.558 796 HE2 LYS 102 2HE LYS 102 12.059 -3.440 -9.395 797 HE3 LYS 102 1HE LYS 102 13.242 -2.541 -8.445 798 HZ1 LYS 102 3HZ LYS 102 13.859 -4.408 -10.675 799 HZ2 LYS 102 1HZ LYS 102 15.004 -3.566 -9.745 800 HZ3 LYS 102 2HZ LYS 102 13.931 -2.713 -10.741 801 H LEU 103 HN LEU 103 9.166 -2.297 -7.435 802 HA LEU 103 HA LEU 103 6.384 -2.485 -6.679 803 HG LEU 103 HG LEU 103 5.420 -0.615 -9.156 804 HB2 LEU 103 2HB LEU 103 7.473 -0.309 -6.963 805 HB3 LEU 103 1HB LEU 103 7.793 -0.676 -8.645 806 HD11 LEU 103 1HD1 LEU 103 5.017 -0.003 -6.233 807 HD12 LEU 103 2HD1 LEU 103 4.563 -1.502 -7.045 808 HD13 LEU 103 3HD1 LEU 103 3.768 0.013 -7.479 809 HD21 LEU 103 3HD2 LEU 103 4.995 1.757 -8.694 810 HD22 LEU 103 1HD2 LEU 103 6.653 1.483 -9.231 811 HD23 LEU 103 2HD2 LEU 103 6.313 1.758 -7.521 812 H ARG 104 HN ARG 104 4.837 -3.515 -7.741 813 HA ARG 104 HA ARG 104 5.483 -4.842 -10.260 814 HE ARG 104 HE ARG 104 5.756 -6.422 -11.580 815 HB2 ARG 104 2HB ARG 104 4.221 -5.856 -8.183 816 HB3 ARG 104 1HB ARG 104 2.832 -5.047 -8.875 817 HG2 ARG 104 2HG ARG 104 2.730 -7.237 -9.669 818 HG3 ARG 104 1HG ARG 104 3.351 -6.287 -11.017 819 HD2 ARG 104 2HD ARG 104 5.065 -7.863 -9.109 820 HD3 ARG 104 1HD ARG 104 4.515 -8.459 -10.672 821 HH11 ARG 104 1HH1 ARG 104 6.697 -8.141 -8.687 822 HH12 ARG 104 2HH1 ARG 104 8.386 -7.752 -8.825 823 HH21 ARG 104 1HH2 ARG 104 7.965 -5.914 -11.800 824 HH22 ARG 104 2HH2 ARG 104 9.109 -6.500 -10.631 825 H GLY 105 HN GLY 105 3.034 -2.666 -8.900 826 HA2 GLY 105 2HA GLY 105 2.818 -1.002 -11.115 827 HA3 GLY 105 1HA GLY 105 1.610 -2.264 -11.308 828 H ALA 106 HN ALA 106 0.101 -0.435 -11.174 829 HA ALA 106 HA ALA 106 -0.516 0.193 -8.365 830 HB1 ALA 106 1HB ALA 106 -1.139 2.467 -8.979 831 HB2 ALA 106 2HB ALA 106 -0.660 2.164 -10.648 832 HB3 ALA 106 3HB ALA 106 0.553 2.158 -9.366 833 H LEU 107 HN LEU 107 -2.709 0.398 -7.877 834 HA LEU 107 HA LEU 107 -4.525 -0.612 -9.966 835 HG LEU 107 HG LEU 107 -5.336 -3.350 -7.718 836 HB2 LEU 107 2HB LEU 107 -4.134 -1.306 -7.161 837 HB3 LEU 107 1HB LEU 107 -5.809 -0.970 -7.541 838 HD11 LEU 107 1HD1 LEU 107 -5.787 -2.080 -10.411 839 HD12 LEU 107 2HD1 LEU 107 -7.023 -2.399 -9.194 840 HD13 LEU 107 3HD1 LEU 107 -6.183 -3.741 -9.972 841 HD21 LEU 107 3HD2 LEU 107 -2.967 -3.248 -8.257 842 HD22 LEU 107 1HD2 LEU 107 -3.343 -2.560 -9.837 843 HD23 LEU 107 2HD2 LEU 107 -3.835 -4.209 -9.454 844 H SER 108 HN SER 108 -5.541 1.083 -10.810 845 HA SER 108 HA SER 108 -6.869 2.958 -8.971 846 HG SER 108 HG SER 108 -4.606 4.771 -9.411 847 HB2 SER 108 2HB SER 108 -5.739 3.691 -11.684 848 HB3 SER 108 1HB SER 108 -6.428 4.785 -10.486 849 H GLY 109 HN GLY 109 -8.817 3.963 -9.910 850 HA2 GLY 109 2HA GLY 109 -10.524 4.100 -11.542 851 HA3 GLY 109 1HA GLY 109 -9.914 2.619 -12.267 852 H ILE 110 HN ILE 110 -12.640 3.403 -11.431 853 HA ILE 110 HA ILE 110 -13.215 1.664 -9.181 854 HB ILE 110 HB ILE 110 -15.109 3.192 -10.978 855 HG12 ILE 110 2HG1 ILE 110 -14.118 3.786 -8.179 856 HG13 ILE 110 1HG1 ILE 110 -13.627 4.639 -9.639 857 HG21 ILE 110 1HG2 ILE 110 -16.781 2.752 -9.227 858 HG22 ILE 110 2HG2 ILE 110 -15.614 1.728 -8.389 859 HG23 ILE 110 3HG2 ILE 110 -16.202 1.270 -9.988 860 HD11 ILE 110 3HD1 ILE 110 -15.918 5.419 -9.951 861 HD12 ILE 110 1HD1 ILE 110 -15.265 5.914 -8.388 862 HD13 ILE 110 2HD1 ILE 110 -16.405 4.571 -8.483 863 H HIS 111 HN HIS 111 -13.233 -0.430 -9.498 864 HA HIS 111 HA HIS 111 -14.683 -1.523 -11.787 865 HD1 HIS 111 1HD HIS 111 -10.252 -0.956 -12.269 866 HD2 HIS 111 2HD HIS 111 -11.672 -3.138 -9.021 867 HE1 HIS 111 1HE HIS 111 -8.397 -0.947 -10.581 868 HE2 HIS 111 2HE HIS 111 -9.379 -2.034 -8.535 869 HB2 HIS 111 2HB HIS 111 -12.815 -3.333 -11.882 870 HB3 HIS 111 1HB HIS 111 -12.532 -1.785 -12.665 871 HA PRO 112 HA PRO 112 -16.462 -3.927 -8.550 872 HB2 PRO 112 2HB PRO 112 -17.378 -5.806 -10.601 873 HB3 PRO 112 1HB PRO 112 -18.323 -4.718 -9.583 874 HG2 PRO 112 2HG PRO 112 -18.032 -4.325 -12.239 875 HG3 PRO 112 1HG PRO 112 -18.203 -2.987 -11.089 876 HD2 PRO 112 2HD PRO 112 -15.729 -4.063 -12.392 877 HD3 PRO 112 1HD PRO 112 -16.204 -2.377 -12.096 878 H TRP 113 HN TRP 113 -16.662 -6.296 -7.900 879 HA TRP 113 HA TRP 113 -14.072 -7.503 -7.944 880 HD1 TRP 113 1HD TRP 113 -14.743 -11.122 -6.798 881 HE1 TRP 113 1HE TRP 113 -12.842 -11.611 -5.122 882 HE3 TRP 113 3HE TRP 113 -14.238 -6.452 -4.770 883 HZ2 TRP 113 2HZ TRP 113 -11.348 -10.193 -3.195 884 HZ3 TRP 113 3HZ TRP 113 -12.550 -6.105 -3.014 885 HH2 TRP 113 2HH TRP 113 -11.136 -7.940 -2.243 886 HB2 TRP 113 2HB TRP 113 -16.085 -7.612 -6.165 887 HB3 TRP 113 1HB TRP 113 -16.439 -9.087 -7.062 888 H ALA 114 HN ALA 114 -14.086 -10.026 -8.402 889 HA ALA 114 HA ALA 114 -14.069 -11.679 -9.949 890 HB1 ALA 114 1HB ALA 114 -15.887 -11.955 -11.524 891 HB2 ALA 114 2HB ALA 114 -16.443 -10.311 -11.212 892 HB3 ALA 114 3HB ALA 114 -16.525 -11.527 -9.936 893 H GLU 115 HN GLU 115 -14.925 -8.667 -11.704 894 HA GLU 115 HA GLU 115 -13.192 -9.175 -13.885 895 HB2 GLU 115 2HB GLU 115 -14.195 -6.518 -12.835 896 HB3 GLU 115 1HB GLU 115 -13.434 -6.769 -14.399 897 HG2 GLU 115 2HG GLU 115 -15.312 -8.376 -14.909 898 HG3 GLU 115 1HG GLU 115 -16.102 -7.766 -13.454 899 H LEU 116 HN LEU 116 -12.757 -7.655 -10.777 900 HA LEU 116 HA LEU 116 -10.260 -6.464 -11.133 901 HG LEU 116 HG LEU 116 -9.500 -5.384 -9.058 902 HB2 LEU 116 2HB LEU 116 -11.865 -6.364 -9.134 903 HB3 LEU 116 1HB LEU 116 -11.142 -7.871 -8.614 904 HD11 LEU 116 1HD1 LEU 116 -11.216 -4.861 -7.415 905 HD12 LEU 116 2HD1 LEU 116 -9.641 -5.020 -6.639 906 HD13 LEU 116 3HD1 LEU 116 -10.819 -6.324 -6.514 907 HD21 LEU 116 3HD2 LEU 116 -7.937 -6.499 -7.547 908 HD22 LEU 116 1HD2 LEU 116 -8.263 -7.494 -8.967 909 HD23 LEU 116 2HD2 LEU 116 -9.029 -7.877 -7.425 910 H LEU 117 HN LEU 117 -11.158 -9.786 -10.363 911 HA LEU 117 HA LEU 117 -8.599 -10.812 -9.855 912 HG LEU 117 HG LEU 117 -11.033 -13.304 -8.652 913 HB2 LEU 117 2HB LEU 117 -11.214 -11.997 -10.668 914 HB3 LEU 117 1HB LEU 117 -9.779 -12.999 -10.724 915 HD11 LEU 117 1HD1 LEU 117 -9.171 -13.013 -7.095 916 HD12 LEU 117 2HD1 LEU 117 -8.368 -11.958 -8.259 917 HD13 LEU 117 3HD1 LEU 117 -8.630 -13.658 -8.645 918 HD21 LEU 117 3HD2 LEU 117 -11.994 -11.068 -8.454 919 HD22 LEU 117 1HD2 LEU 117 -10.394 -10.410 -8.109 920 HD23 LEU 117 2HD2 LEU 117 -11.147 -11.539 -6.981 921 H THR 118 HN THR 118 -10.273 -10.144 -12.829 922 HA THR 118 HA THR 118 -8.422 -11.657 -14.446 923 HB THR 118 HB THR 118 -10.416 -9.597 -15.406 924 HG1 THR 118 1HG THR 118 -11.987 -11.039 -15.141 925 HG21 THR 118 3HG2 THR 118 -8.778 -10.374 -17.063 926 HG22 THR 118 1HG2 THR 118 -10.401 -10.945 -17.453 927 HG23 THR 118 2HG2 THR 118 -9.230 -12.046 -16.727 928 H LEU 119 HN LEU 119 -9.073 -8.252 -13.715 929 HA LEU 119 HA LEU 119 -7.205 -7.195 -15.584 930 HG LEU 119 HG LEU 119 -8.589 -3.877 -14.741 931 HB2 LEU 119 2HB LEU 119 -9.278 -6.127 -14.422 932 HB3 LEU 119 1HB LEU 119 -8.158 -5.746 -13.135 933 HD11 LEU 119 1HD1 LEU 119 -6.268 -3.179 -14.949 934 HD12 LEU 119 2HD1 LEU 119 -5.734 -4.824 -14.603 935 HD13 LEU 119 3HD1 LEU 119 -6.579 -3.893 -13.366 936 HD21 LEU 119 3HD2 LEU 119 -7.060 -5.635 -16.648 937 HD22 LEU 119 1HD2 LEU 119 -7.501 -3.951 -16.928 938 HD23 LEU 119 2HD2 LEU 119 -8.758 -5.178 -16.780 939 H MET 120 HN MET 120 -7.109 -7.636 -12.055 940 HA MET 120 HA MET 120 -4.551 -6.388 -11.803 941 HB2 MET 120 2HB MET 120 -6.213 -6.378 -9.986 942 HB3 MET 120 1HB MET 120 -6.049 -8.121 -9.827 943 HG2 MET 120 2HG MET 120 -3.733 -7.866 -9.150 944 HG3 MET 120 1HG MET 120 -3.846 -6.120 -9.370 945 HE1 MET 120 3HE MET 120 -2.919 -5.759 -6.878 946 HE2 MET 120 1HE MET 120 -2.809 -7.510 -6.694 947 HE3 MET 120 2HE MET 120 -3.624 -6.546 -5.465 948 H ARG 121 HN ARG 121 -5.608 -9.607 -12.465 949 HA ARG 121 HA ARG 121 -3.320 -10.985 -11.495 950 HE ARG 121 HE ARG 121 -3.690 -15.923 -11.970 951 HB2 ARG 121 2HB ARG 121 -5.627 -11.948 -12.098 952 HB3 ARG 121 1HB ARG 121 -5.047 -11.948 -13.758 953 HG2 ARG 121 2HG ARG 121 -3.191 -13.394 -13.117 954 HG3 ARG 121 1HG ARG 121 -3.762 -13.389 -11.449 955 HD2 ARG 121 2HD ARG 121 -6.000 -14.191 -12.568 956 HD3 ARG 121 1HD ARG 121 -4.910 -14.716 -13.849 957 HH11 ARG 121 1HH1 ARG 121 -7.150 -15.397 -12.045 958 HH12 ARG 121 2HH1 ARG 121 -7.506 -16.731 -10.982 959 HH21 ARG 121 1HH2 ARG 121 -4.145 -17.671 -10.587 960 HH22 ARG 121 2HH2 ARG 121 -5.792 -18.028 -10.164 961 H SER 122 HN SER 122 -4.084 -9.329 -14.464 962 HA SER 122 HA SER 122 -2.063 -10.283 -16.101 963 HG SER 122 HG SER 122 -4.264 -9.985 -16.721 964 HB2 SER 122 2HB SER 122 -3.311 -7.531 -15.970 965 HB3 SER 122 1HB SER 122 -2.456 -8.221 -17.333 966 H ILE 123 HN ILE 123 -2.006 -7.968 -13.467 967 HA ILE 123 HA ILE 123 0.650 -7.014 -14.071 968 HB ILE 123 HB ILE 123 -0.950 -6.723 -11.518 969 HG12 ILE 123 2HG1 ILE 123 -0.630 -4.848 -13.873 970 HG13 ILE 123 1HG1 ILE 123 -2.112 -5.665 -13.380 971 HG21 ILE 123 1HG2 ILE 123 0.590 -4.871 -11.036 972 HG22 ILE 123 2HG2 ILE 123 1.505 -5.268 -12.489 973 HG23 ILE 123 3HG2 ILE 123 1.426 -6.417 -11.154 974 HD11 ILE 123 3HD1 ILE 123 -2.004 -3.278 -12.722 975 HD12 ILE 123 1HD1 ILE 123 -0.633 -3.673 -11.680 976 HD13 ILE 123 2HD1 ILE 123 -2.218 -4.383 -11.364 977 H VAL 124 HN VAL 124 -0.818 -9.141 -11.638 978 HA VAL 124 HA VAL 124 1.815 -9.911 -10.650 979 HB VAL 124 HB VAL 124 0.545 -11.174 -8.922 980 HG11 VAL 124 1HG1 VAL 124 -0.207 -8.269 -9.217 981 HG12 VAL 124 2HG1 VAL 124 1.275 -8.891 -8.495 982 HG13 VAL 124 3HG1 VAL 124 -0.279 -9.198 -7.721 983 HG21 VAL 124 3HG2 VAL 124 -1.873 -10.782 -8.703 984 HG22 VAL 124 1HG2 VAL 124 -1.478 -11.662 -10.179 985 HG23 VAL 124 2HG2 VAL 124 -1.867 -9.943 -10.255 986 H ASP 125 HN ASP 125 1.160 -10.717 -13.291 987 HA ASP 125 HA ASP 125 0.254 -13.427 -13.313 988 HB2 ASP 125 2HB ASP 125 0.140 -11.747 -15.236 989 HB3 ASP 125 1HB ASP 125 1.855 -12.066 -15.478 990 H THR 126 HN THR 126 3.388 -11.901 -13.919 991 HA THR 126 HA THR 126 5.521 -12.630 -13.856 992 HB THR 126 HB THR 126 6.173 -13.895 -11.780 993 HG1 THR 126 1HG THR 126 3.616 -14.518 -11.727 994 HG21 THR 126 3HG2 THR 126 4.457 -11.433 -11.443 995 HG22 THR 126 1HG2 THR 126 6.174 -11.464 -11.846 996 HG23 THR 126 2HG2 THR 126 5.628 -12.033 -10.269 997 HA PRO 127 HA PRO 127 4.973 -16.694 -15.942 998 HB2 PRO 127 2HB PRO 127 6.892 -15.506 -17.820 999 HB3 PRO 127 1HB PRO 127 5.301 -16.200 -18.138 1000 HG2 PRO 127 2HG PRO 127 5.774 -13.551 -18.318 1001 HG3 PRO 127 1HG PRO 127 4.212 -14.202 -17.785 1002 HD2 PRO 127 2HD PRO 127 6.450 -13.066 -16.152 1003 HD3 PRO 127 1HD PRO 127 4.696 -12.846 -15.970 1004 H ALA 128 HN ALA 128 7.656 -14.756 -14.921 1005 HA ALA 128 HA ALA 128 9.558 -16.958 -15.123 1006 HB1 ALA 128 1HB ALA 128 10.267 -14.735 -15.863 1007 HB2 ALA 128 2HB ALA 128 11.238 -15.299 -14.502 1008 HB3 ALA 128 3HB ALA 128 9.971 -14.101 -14.243 1009 H ALA 129 HN ALA 129 7.445 -17.330 -13.288 1010 HA ALA 129 HA ALA 129 8.929 -17.301 -10.740 1011 HB1 ALA 129 1HB ALA 129 5.941 -17.077 -11.106 1012 HB2 ALA 129 2HB ALA 129 7.023 -15.772 -10.625 1013 HB3 ALA 129 3HB ALA 129 6.786 -17.159 -9.561 1014 H GLN 130 HN GLN 130 8.643 -19.159 -9.392 1015 HA GLN 130 HA GLN 130 8.265 -21.563 -10.966 1016 HB2 GLN 130 2HB GLN 130 10.218 -21.510 -9.577 1017 HB3 GLN 130 1HB GLN 130 9.268 -21.098 -8.157 1018 HG2 GLN 130 2HG GLN 130 8.306 -23.261 -8.060 1019 HG3 GLN 130 1HG GLN 130 8.944 -23.686 -9.646 1020 HE21 GLN 130 1HE2 GLN 130 11.545 -22.532 -9.184 1021 HE22 GLN 130 2HE2 GLN 130 12.364 -23.594 -8.088 1022 H GLU 131 HN GLU 131 6.792 -19.953 -8.202 1023 HA GLU 131 HA GLU 131 4.788 -20.212 -7.154 1024 HB2 GLU 131 2HB GLU 131 4.146 -20.292 -9.729 1025 HB3 GLU 131 1HB GLU 131 3.765 -21.967 -9.359 1026 HG2 GLU 131 2HG GLU 131 2.590 -20.364 -7.349 1027 HG3 GLU 131 1HG GLU 131 2.209 -19.635 -8.909 1028 H THR 132 HN THR 132 3.152 -22.787 -7.697 1029 HA THR 132 HA THR 132 2.971 -24.911 -6.924 1030 HB THR 132 HB THR 132 5.980 -25.053 -6.724 1031 HG1 THR 132 1HG THR 132 4.909 -24.225 -8.835 1032 HG21 THR 132 3HG2 THR 132 3.890 -27.115 -7.449 1033 HG22 THR 132 1HG2 THR 132 4.691 -26.981 -5.884 1034 HG23 THR 132 2HG2 THR 132 5.625 -27.398 -7.319 1035 H VAL 133 HN VAL 133 2.704 -22.854 -5.124 1036 HA VAL 133 HA VAL 133 4.101 -23.738 -2.705 1037 HB VAL 133 HB VAL 133 3.272 -21.715 -1.637 1038 HG11 VAL 133 1HG1 VAL 133 5.354 -21.523 -2.846 1039 HG12 VAL 133 2HG1 VAL 133 4.432 -20.028 -3.014 1040 HG13 VAL 133 3HG1 VAL 133 4.487 -21.184 -4.344 1041 HG21 VAL 133 3HG2 VAL 133 2.003 -20.031 -2.903 1042 HG22 VAL 133 1HG2 VAL 133 1.106 -21.539 -2.718 1043 HG23 VAL 133 2HG2 VAL 133 1.882 -21.158 -4.256 1044 H GLN 134 HN GLN 134 2.627 -23.549 -0.681 1045 HA GLN 134 HA GLN 134 0.207 -25.111 -1.218 1046 HB2 GLN 134 2HB GLN 134 2.138 -25.811 0.418 1047 HB3 GLN 134 1HB GLN 134 1.374 -24.673 1.515 1048 HG2 GLN 134 2HG GLN 134 -0.021 -27.023 0.250 1049 HG3 GLN 134 1HG GLN 134 0.696 -27.031 1.857 1050 HE21 GLN 134 1HE2 GLN 134 -1.944 -25.975 -0.105 1051 HE22 GLN 134 2HE2 GLN 134 -2.922 -25.351 1.181 1052 H LEU 135 HN LEU 135 -1.568 -23.912 -1.360 1053 HA LEU 135 HA LEU 135 -1.744 -21.237 -0.425 1054 HG LEU 135 HG LEU 135 -2.700 -20.582 -2.625 1055 HB2 LEU 135 2HB LEU 135 -3.767 -23.180 -1.511 1056 HB3 LEU 135 1HB LEU 135 -4.245 -21.598 -0.934 1057 HD11 LEU 135 1HD1 LEU 135 -1.206 -22.469 -2.966 1058 HD12 LEU 135 2HD1 LEU 135 -1.945 -21.969 -4.486 1059 HD13 LEU 135 3HD1 LEU 135 -2.530 -23.410 -3.652 1060 HD21 LEU 135 3HD2 LEU 135 -4.889 -22.376 -3.666 1061 HD22 LEU 135 1HD2 LEU 135 -4.189 -21.005 -4.527 1062 HD23 LEU 135 2HD2 LEU 135 -5.085 -20.742 -3.031 1063 H GLU 136 HN GLU 136 -1.935 -20.644 1.610 1064 HA GLU 136 HA GLU 136 -2.497 -22.313 3.750 1065 HB2 GLU 136 2HB GLU 136 -2.628 -19.319 3.477 1066 HB3 GLU 136 1HB GLU 136 -2.938 -20.135 5.004 1067 HG2 GLU 136 2HG GLU 136 -0.406 -20.452 3.415 1068 HG3 GLU 136 1HG GLU 136 -0.616 -19.284 4.719 1069 H HIS 137 HN HIS 137 -4.239 -22.866 4.867 1070 HA HIS 137 HA HIS 137 -6.778 -22.582 3.490 1071 HD1 HIS 137 1HD HIS 137 -3.965 -25.299 4.979 1072 HD2 HIS 137 2HD HIS 137 -7.386 -25.757 2.649 1073 HE1 HIS 137 1HE HIS 137 -3.421 -27.102 3.312 1074 HE2 HIS 137 2HE HIS 137 -5.466 -27.318 1.866 1075 HB2 HIS 137 2HB HIS 137 -6.067 -24.176 5.967 1076 HB3 HIS 137 1HB HIS 137 -7.567 -24.298 5.056 1077 H HIS 138 HN HIS 138 -8.747 -22.421 5.067 1078 HA HIS 138 HA HIS 138 -8.489 -19.877 6.409 1079 HD1 HIS 138 1HD HIS 138 -11.300 -21.804 3.629 1080 HD2 HIS 138 2HD HIS 138 -10.130 -18.019 4.900 1081 HE1 HIS 138 1HE HIS 138 -11.464 -20.327 1.604 1082 HE2 HIS 138 2HE HIS 138 -10.963 -18.002 2.451 1083 HB2 HIS 138 2HB HIS 138 -10.863 -21.727 6.074 1084 HB3 HIS 138 1HB HIS 138 -10.937 -20.132 6.812 1085 H HIS 139 HN HIS 139 -8.543 -19.495 8.567 1086 HA HIS 139 HA HIS 139 -7.587 -21.527 10.274 1087 HD1 HIS 139 1HD HIS 139 -5.723 -19.674 12.692 1088 HD2 HIS 139 2HD HIS 139 -6.469 -18.279 8.845 1089 HE1 HIS 139 1HE HIS 139 -3.532 -18.748 11.867 1090 HE2 HIS 139 2HE HIS 139 -4.035 -17.789 9.590 1091 HB2 HIS 139 2HB HIS 139 -8.649 -18.760 10.812 1092 HB3 HIS 139 1HB HIS 139 -8.112 -19.821 12.110 1093 H HIS 140 HN HIS 140 -8.744 -23.224 10.805 1094 HA HIS 140 HA HIS 140 -11.608 -22.967 11.288 1095 HD1 HIS 140 1HD HIS 140 -11.323 -27.288 12.267 1096 HD2 HIS 140 2HD HIS 140 -13.618 -24.487 10.222 1097 HE1 HIS 140 1HE HIS 140 -13.686 -28.137 12.379 1098 HE2 HIS 140 2HE HIS 140 -15.019 -26.537 10.954 1099 HB2 HIS 140 2HB HIS 140 -10.613 -24.816 9.856 1100 HB3 HIS 140 1HB HIS 140 -9.941 -25.489 11.337 1101 H HIS 141 HN HIS 141 -11.980 -22.167 13.267 1102 HA HIS 141 HA HIS 141 -10.666 -23.459 15.568 1103 HD1 HIS 141 1HD HIS 141 -11.881 -20.564 17.879 1104 HD2 HIS 141 2HD HIS 141 -7.958 -21.679 17.065 1105 HE1 HIS 141 1HE HIS 141 -10.657 -20.385 20.065 1106 HE2 HIS 141 2HE HIS 141 -8.244 -20.822 19.484 1107 HB2 HIS 141 2HB HIS 141 -9.588 -21.252 14.934 1108 HB3 HIS 141 1HB HIS 141 -11.122 -20.473 15.292 1109 H HIS 142 HN HIS 142 -11.990 -23.622 17.421 1110 HA HIS 142 HA HIS 142 -14.731 -22.626 17.041 1111 HD1 HIS 142 1HD HIS 142 -14.254 -24.568 20.997 1112 HD2 HIS 142 2HD HIS 142 -12.318 -26.398 17.800 1113 HE1 HIS 142 1HE HIS 142 -12.555 -26.113 22.026 1114 HE2 HIS 142 2HE HIS 142 -11.272 -27.062 20.076 1115 HB2 HIS 142 2HB HIS 142 -15.451 -24.278 18.746 1116 HB3 HIS 142 1HB HIS 142 -14.738 -25.029 17.328 Start of MODEL 14 1 HA MET 1 HA MET 1 -20.832 11.277 3.509 2 H1 MET 1 1HT MET 1 -18.989 10.321 1.403 3 H2 MET 1 2HT MET 1 -20.166 11.522 1.177 4 H3 MET 1 3HT MET 1 -20.633 9.941 1.573 5 HB2 MET 1 2HB MET 1 -18.358 9.533 3.599 6 HB3 MET 1 1HB MET 1 -19.249 10.092 5.008 7 HG2 MET 1 2HG MET 1 -21.174 8.822 4.381 8 HG3 MET 1 1HG MET 1 -20.459 8.411 2.825 9 HE1 MET 1 3HE MET 1 -18.594 8.509 6.265 10 HE2 MET 1 1HE MET 1 -18.789 6.853 6.835 11 HE3 MET 1 2HE MET 1 -20.189 7.921 6.730 12 H ALA 2 HN ALA 2 -20.501 13.373 3.775 13 HA ALA 2 HA ALA 2 -17.820 14.479 3.337 14 HB1 ALA 2 1HB ALA 2 -18.902 16.648 3.200 15 HB2 ALA 2 2HB ALA 2 -20.453 15.926 3.630 16 HB3 ALA 2 3HB ALA 2 -19.681 15.511 2.099 17 H ASN 3 HN ASN 3 -16.595 14.917 5.021 18 HA ASN 3 HA ASN 3 -17.877 15.188 7.655 19 HB2 ASN 3 2HB ASN 3 -15.663 14.286 8.542 20 HB3 ASN 3 1HB ASN 3 -16.687 13.140 7.684 21 HD21 ASN 3 1HD2 ASN 3 -16.054 12.377 5.676 22 HD22 ASN 3 2HD2 ASN 3 -14.445 12.576 5.070 23 H ASP 4 HN ASP 4 -17.388 16.894 8.885 24 HA ASP 4 HA ASP 4 -15.537 18.881 7.835 25 HB2 ASP 4 2HB ASP 4 -16.419 20.367 9.570 26 HB3 ASP 4 1HB ASP 4 -17.735 19.661 8.642 27 H THR 5 HN THR 5 -13.686 19.484 8.833 28 HA THR 5 HA THR 5 -11.664 19.029 9.699 29 HB THR 5 HB THR 5 -11.470 18.497 12.089 30 HG1 THR 5 1HG THR 5 -13.964 17.511 11.747 31 HG21 THR 5 3HG2 THR 5 -12.604 20.476 12.944 32 HG22 THR 5 1HG2 THR 5 -13.612 20.536 11.499 33 HG23 THR 5 2HG2 THR 5 -11.874 20.800 11.373 34 HA PRO 6 HA PRO 6 -10.783 14.920 8.295 35 HB2 PRO 6 2HB PRO 6 -8.279 15.503 9.827 36 HB3 PRO 6 1HB PRO 6 -8.472 14.835 8.201 37 HG2 PRO 6 2HG PRO 6 -7.792 17.379 8.526 38 HG3 PRO 6 1HG PRO 6 -8.949 16.908 7.266 39 HD2 PRO 6 2HD PRO 6 -9.441 18.250 9.880 40 HD3 PRO 6 1HD PRO 6 -10.287 18.446 8.332 41 H PHE 7 HN PHE 7 -9.664 15.776 11.564 42 HA PHE 7 HA PHE 7 -9.958 14.841 13.598 43 HD1 PHE 7 1HD PHE 7 -11.514 15.818 14.918 44 HD2 PHE 7 2HD PHE 7 -12.973 11.862 14.347 45 HE1 PHE 7 1HE PHE 7 -12.195 15.730 17.281 46 HE2 PHE 7 2HE PHE 7 -13.652 11.767 16.708 47 HZ PHE 7 HZ PHE 7 -13.266 13.702 18.179 48 HB2 PHE 7 2HB PHE 7 -12.375 14.702 12.568 49 HB3 PHE 7 1HB PHE 7 -12.053 12.971 12.569 50 H SER 8 HN SER 8 -8.599 13.499 14.541 51 HA SER 8 HA SER 8 -7.061 11.684 13.092 52 HG SER 8 HG SER 8 -5.410 13.218 14.873 53 HB2 SER 8 2HB SER 8 -7.397 11.680 16.093 54 HB3 SER 8 1HB SER 8 -5.985 11.178 15.165 55 H ALA 9 HN ALA 9 -9.990 11.187 14.953 56 HA ALA 9 HA ALA 9 -9.827 8.411 15.311 57 HB1 ALA 9 1HB ALA 9 -12.293 10.116 14.994 58 HB2 ALA 9 2HB ALA 9 -11.425 9.814 16.501 59 HB3 ALA 9 3HB ALA 9 -12.241 8.486 15.669 60 H LEU 10 HN LEU 10 -10.757 10.305 12.516 61 HA LEU 10 HA LEU 10 -12.029 8.182 11.101 62 HG LEU 10 HG LEU 10 -13.254 11.255 9.488 63 HB2 LEU 10 2HB LEU 10 -10.981 10.879 10.337 64 HB3 LEU 10 1HB LEU 10 -11.416 9.735 9.082 65 HD11 LEU 10 1HD1 LEU 10 -13.805 8.969 8.870 66 HD12 LEU 10 2HD1 LEU 10 -15.027 9.642 9.948 67 HD13 LEU 10 3HD1 LEU 10 -13.833 8.504 10.571 68 HD21 LEU 10 3HD2 LEU 10 -14.432 11.273 11.647 69 HD22 LEU 10 1HD2 LEU 10 -12.790 11.900 11.772 70 HD23 LEU 10 2HD2 LEU 10 -13.158 10.268 12.335 71 H TRP 11 HN TRP 11 -8.764 9.226 11.509 72 HA TRP 11 HA TRP 11 -7.707 7.447 9.479 73 HD1 TRP 11 1HD TRP 11 -4.379 8.818 12.603 74 HE1 TRP 11 1HE TRP 11 -2.280 7.447 12.048 75 HE3 TRP 11 3HE TRP 11 -5.776 7.011 8.024 76 HZ2 TRP 11 2HZ TRP 11 -1.339 5.819 9.955 77 HZ3 TRP 11 3HZ TRP 11 -4.210 5.549 6.815 78 HH2 TRP 11 2HH TRP 11 -2.036 4.966 7.766 79 HB2 TRP 11 2HB TRP 11 -6.432 9.391 9.715 80 HB3 TRP 11 1HB TRP 11 -6.557 9.381 11.465 81 H GLN 12 HN GLN 12 -7.732 7.710 12.984 82 HA GLN 12 HA GLN 12 -6.270 5.568 13.819 83 HB2 GLN 12 2HB GLN 12 -7.230 7.171 15.350 84 HB3 GLN 12 1HB GLN 12 -8.857 6.630 14.962 85 HG2 GLN 12 2HG GLN 12 -8.270 4.408 15.919 86 HG3 GLN 12 1HG GLN 12 -6.731 5.094 16.438 87 HE21 GLN 12 1HE2 GLN 12 -8.971 3.986 17.990 88 HE22 GLN 12 2HE2 GLN 12 -9.429 5.238 19.090 89 H ARG 13 HN ARG 13 -9.614 5.466 12.663 90 HA ARG 13 HA ARG 13 -10.327 2.937 13.553 91 HE ARG 13 HE ARG 13 -11.610 6.322 8.751 92 HB2 ARG 13 2HB ARG 13 -12.018 2.951 11.749 93 HB3 ARG 13 1HB ARG 13 -11.966 4.463 12.646 94 HG2 ARG 13 2HG ARG 13 -10.717 5.516 10.868 95 HG3 ARG 13 1HG ARG 13 -10.655 3.991 9.980 96 HD2 ARG 13 2HD ARG 13 -13.076 4.006 9.756 97 HD3 ARG 13 1HD ARG 13 -13.169 5.496 10.696 98 HH11 ARG 13 1HH1 ARG 13 -14.409 4.230 8.522 99 HH12 ARG 13 2HH1 ARG 13 -14.837 4.759 6.923 100 HH21 ARG 13 1HH2 ARG 13 -12.163 7.010 6.639 101 HH22 ARG 13 2HH2 ARG 13 -13.560 6.345 5.846 102 H LEU 14 HN LEU 14 -8.355 3.792 10.762 103 HA LEU 14 HA LEU 14 -8.478 1.185 9.577 104 HG LEU 14 HG LEU 14 -7.454 3.434 6.829 105 HB2 LEU 14 2HB LEU 14 -6.563 3.485 9.189 106 HB3 LEU 14 1HB LEU 14 -6.406 1.969 8.331 107 HD11 LEU 14 1HD1 LEU 14 -9.691 2.483 6.502 108 HD12 LEU 14 2HD1 LEU 14 -9.603 1.759 8.107 109 HD13 LEU 14 3HD1 LEU 14 -8.478 1.252 6.849 110 HD21 LEU 14 3HD2 LEU 14 -8.072 5.191 8.399 111 HD22 LEU 14 1HD2 LEU 14 -9.390 4.193 9.013 112 HD23 LEU 14 2HD2 LEU 14 -9.426 4.773 7.348 113 H LEU 15 HN LEU 15 -6.287 2.881 11.727 114 HA LEU 15 HA LEU 15 -4.319 0.850 11.894 115 HG LEU 15 HG LEU 15 -4.319 4.004 11.690 116 HB2 LEU 15 2HB LEU 15 -5.013 3.058 13.831 117 HB3 LEU 15 1HB LEU 15 -3.557 2.086 13.892 118 HD11 LEU 15 1HD1 LEU 15 -2.392 5.284 12.480 119 HD12 LEU 15 2HD1 LEU 15 -2.167 4.130 13.794 120 HD13 LEU 15 3HD1 LEU 15 -3.624 5.121 13.731 121 HD21 LEU 15 3HD2 LEU 15 -2.103 3.541 10.779 122 HD22 LEU 15 1HD2 LEU 15 -3.100 2.087 10.807 123 HD23 LEU 15 2HD2 LEU 15 -1.843 2.318 12.022 124 H THR 16 HN THR 16 -7.356 1.408 13.457 125 HA THR 16 HA THR 16 -7.101 -0.227 15.705 126 HB THR 16 HB THR 16 -9.596 0.197 14.050 127 HG1 THR 16 1HG THR 16 -9.551 1.788 16.161 128 HG21 THR 16 3HG2 THR 16 -10.778 -0.155 16.175 129 HG22 THR 16 1HG2 THR 16 -9.240 -0.467 16.982 130 HG23 THR 16 2HG2 THR 16 -9.824 -1.573 15.737 131 H ARG 17 HN ARG 17 -7.930 -1.029 12.345 132 HA ARG 17 HA ARG 17 -8.391 -3.796 12.947 133 HE ARG 17 HE ARG 17 -9.105 -6.614 8.944 134 HB2 ARG 17 2HB ARG 17 -9.395 -2.639 10.961 135 HB3 ARG 17 1HB ARG 17 -7.788 -2.580 10.241 136 HG2 ARG 17 2HG ARG 17 -7.667 -4.984 10.201 137 HG3 ARG 17 1HG ARG 17 -9.200 -5.109 11.061 138 HD2 ARG 17 2HD ARG 17 -10.307 -3.984 9.141 139 HD3 ARG 17 1HD ARG 17 -8.769 -4.031 8.275 140 HH11 ARG 17 1HH1 ARG 17 -11.271 -4.304 7.441 141 HH12 ARG 17 2HH1 ARG 17 -12.183 -5.515 6.592 142 HH21 ARG 17 1HH2 ARG 17 -10.322 -8.207 7.834 143 HH22 ARG 17 2HH2 ARG 17 -11.648 -7.718 6.824 144 H GLY 18 HN GLY 18 -5.671 -1.851 11.892 145 HA2 GLY 18 2HA GLY 18 -3.619 -2.971 13.024 146 HA3 GLY 18 1HA GLY 18 -3.970 -4.241 11.859 147 H TRP 19 HN TRP 19 -2.517 -4.180 10.338 148 HA TRP 19 HA TRP 19 -1.192 -3.527 8.646 149 HD1 TRP 19 1HD TRP 19 -2.667 -4.641 7.507 150 HE1 TRP 19 1HE TRP 19 -4.835 -5.225 6.248 151 HE3 TRP 19 3HE TRP 19 -4.742 0.002 7.334 152 HZ2 TRP 19 2HZ TRP 19 -7.129 -3.868 5.298 153 HZ3 TRP 19 3HZ TRP 19 -6.924 0.291 6.226 154 HH2 TRP 19 2HH TRP 19 -8.086 -1.607 5.226 155 HB2 TRP 19 2HB TRP 19 -2.870 -1.022 8.699 156 HB3 TRP 19 1HB TRP 19 -1.725 -1.448 7.428 157 H GLN 20 HN GLN 20 0.653 -2.260 8.122 158 HA GLN 20 HA GLN 20 1.854 -1.111 10.494 159 HB2 GLN 20 2HB GLN 20 2.919 -1.955 7.805 160 HB3 GLN 20 1HB GLN 20 3.893 -1.080 8.962 161 HG2 GLN 20 2HG GLN 20 4.490 -3.284 9.314 162 HG3 GLN 20 1HG GLN 20 3.321 -2.971 10.591 163 HE21 GLN 20 1HE2 GLN 20 1.371 -4.050 10.585 164 HE22 GLN 20 2HE2 GLN 20 1.025 -5.354 9.495 165 HA PRO 21 HA PRO 21 1.151 2.972 8.750 166 HB2 PRO 21 2HB PRO 21 2.224 4.074 11.175 167 HB3 PRO 21 1HB PRO 21 0.543 4.035 10.645 168 HG2 PRO 21 2HG PRO 21 1.536 2.624 12.795 169 HG3 PRO 21 1HG PRO 21 0.063 2.203 11.905 170 HD2 PRO 21 2HD PRO 21 2.804 1.030 11.704 171 HD3 PRO 21 1HD PRO 21 1.219 0.232 11.591 172 H VAL 22 HN VAL 22 2.666 3.284 7.229 173 HA VAL 22 HA VAL 22 5.484 3.467 8.035 174 HB VAL 22 HB VAL 22 5.998 3.269 5.619 175 HG11 VAL 22 1HG1 VAL 22 4.247 1.059 6.689 176 HG12 VAL 22 2HG1 VAL 22 5.951 1.298 7.072 177 HG13 VAL 22 3HG1 VAL 22 5.465 0.906 5.424 178 HG21 VAL 22 3HG2 VAL 22 3.020 2.865 5.334 179 HG22 VAL 22 1HG2 VAL 22 4.214 2.571 4.068 180 HG23 VAL 22 2HG2 VAL 22 3.965 4.205 4.685 181 H GLU 23 HN GLU 23 6.577 4.967 6.115 182 HA GLU 23 HA GLU 23 5.206 7.562 6.214 183 HB2 GLU 23 2HB GLU 23 8.126 7.081 6.834 184 HB3 GLU 23 1HB GLU 23 7.331 8.649 6.777 185 HG2 GLU 23 2HG GLU 23 6.007 8.130 8.688 186 HG3 GLU 23 1HG GLU 23 6.549 6.453 8.671 187 H ALA 24 HN ALA 24 6.753 9.156 4.832 188 HA ALA 24 HA ALA 24 6.449 8.273 2.175 189 HB1 ALA 24 1HB ALA 24 7.518 10.377 1.547 190 HB2 ALA 24 2HB ALA 24 8.022 10.622 3.219 191 HB3 ALA 24 3HB ALA 24 6.309 10.624 2.806 192 H SER 25 HN SER 25 9.374 8.803 4.132 193 HA SER 25 HA SER 25 11.017 7.595 2.062 194 HG SER 25 HG SER 25 11.518 9.845 2.295 195 HB2 SER 25 2HB SER 25 11.789 8.611 4.809 196 HB3 SER 25 1HB SER 25 12.899 8.186 3.504 197 H THR 26 HN THR 26 9.626 6.766 5.149 198 HA THR 26 HA THR 26 11.297 4.545 5.700 199 HB THR 26 HB THR 26 8.519 5.070 6.771 200 HG1 THR 26 1HG THR 26 9.617 6.233 8.408 201 HG21 THR 26 3HG2 THR 26 9.391 2.824 7.266 202 HG22 THR 26 1HG2 THR 26 9.299 3.814 8.723 203 HG23 THR 26 2HG2 THR 26 10.855 3.543 7.936 204 H VAL 27 HN VAL 27 8.412 4.925 3.753 205 HA VAL 27 HA VAL 27 7.592 2.227 3.734 206 HB VAL 27 HB VAL 27 6.178 4.093 2.894 207 HG11 VAL 27 1HG1 VAL 27 7.980 3.993 0.479 208 HG12 VAL 27 2HG1 VAL 27 7.842 5.328 1.626 209 HG13 VAL 27 3HG1 VAL 27 6.471 4.900 0.602 210 HG21 VAL 27 3HG2 VAL 27 5.581 1.810 2.374 211 HG22 VAL 27 1HG2 VAL 27 6.628 1.833 0.956 212 HG23 VAL 27 2HG2 VAL 27 5.196 2.861 1.010 213 H ASP 28 HN ASP 28 10.033 3.962 1.918 214 HA ASP 28 HA ASP 28 10.528 2.095 -0.116 215 HB2 ASP 28 2HB ASP 28 11.401 4.434 -0.046 216 HB3 ASP 28 1HB ASP 28 12.517 3.949 1.223 217 H ASP 29 HN ASP 29 11.839 2.428 3.132 218 HA ASP 29 HA ASP 29 13.663 0.247 2.973 219 HB2 ASP 29 2HB ASP 29 13.859 2.093 4.629 220 HB3 ASP 29 1HB ASP 29 12.394 1.522 5.418 221 H TRP 30 HN TRP 30 10.349 0.614 4.127 222 HA TRP 30 HA TRP 30 10.024 -1.947 5.215 223 HD1 TRP 30 1HD TRP 30 7.817 -2.269 7.148 224 HE1 TRP 30 1HE TRP 30 5.793 -3.853 7.021 225 HE3 TRP 30 3HE TRP 30 6.324 -1.272 2.367 226 HZ2 TRP 30 2HZ TRP 30 3.824 -4.582 5.131 227 HZ3 TRP 30 3HZ TRP 30 4.363 -2.457 1.471 228 HH2 TRP 30 2HH TRP 30 3.140 -4.077 2.826 229 HB2 TRP 30 2HB TRP 30 8.439 -0.091 5.582 230 HB3 TRP 30 1HB TRP 30 7.938 -0.194 3.898 231 H ILE 31 HN ILE 31 9.377 -0.714 1.961 232 HA ILE 31 HA ILE 31 8.281 -3.002 0.831 233 HB ILE 31 HB ILE 31 9.974 -0.866 -0.457 234 HG12 ILE 31 2HG1 ILE 31 6.979 -1.244 -0.530 235 HG13 ILE 31 1HG1 ILE 31 7.791 -0.212 0.643 236 HG21 ILE 31 1HG2 ILE 31 10.010 -2.864 -1.836 237 HG22 ILE 31 2HG2 ILE 31 9.016 -1.617 -2.589 238 HG23 ILE 31 3HG2 ILE 31 8.251 -2.972 -1.760 239 HD11 ILE 31 3HD1 ILE 31 7.871 0.114 -2.347 240 HD12 ILE 31 1HD1 ILE 31 8.679 1.151 -1.171 241 HD13 ILE 31 2HD1 ILE 31 6.917 1.077 -1.217 242 H LYS 32 HN LYS 32 11.707 -1.990 0.892 243 HA LYS 32 HA LYS 32 12.545 -4.242 -0.605 244 HB2 LYS 32 2HB LYS 32 14.857 -3.582 0.063 245 HB3 LYS 32 1HB LYS 32 13.917 -2.313 -0.696 246 HG2 LYS 32 2HG LYS 32 14.998 -1.206 0.994 247 HG3 LYS 32 1HG LYS 32 13.429 -1.548 1.709 248 HD2 LYS 32 2HD LYS 32 14.320 -3.354 2.991 249 HD3 LYS 32 1HD LYS 32 15.856 -3.272 2.123 250 HE2 LYS 32 2HE LYS 32 16.375 -1.157 3.074 251 HE3 LYS 32 1HE LYS 32 14.751 -0.990 3.736 252 HZ1 LYS 32 3HZ LYS 32 16.239 -1.575 5.475 253 HZ2 LYS 32 1HZ LYS 32 16.851 -2.899 4.608 254 HZ3 LYS 32 2HZ LYS 32 15.251 -2.916 5.173 255 H ARG 33 HN ARG 33 11.835 -3.877 2.744 256 HA ARG 33 HA ARG 33 13.357 -6.198 3.539 257 HE ARG 33 HE ARG 33 11.016 -7.394 8.332 258 HB2 ARG 33 2HB ARG 33 12.825 -4.393 5.134 259 HB3 ARG 33 1HB ARG 33 11.123 -4.782 4.992 260 HG2 ARG 33 2HG ARG 33 11.608 -7.063 5.798 261 HG3 ARG 33 1HG ARG 33 13.281 -6.583 6.052 262 HD2 ARG 33 2HD ARG 33 12.651 -5.017 7.739 263 HD3 ARG 33 1HD ARG 33 10.937 -5.225 7.367 264 HH11 ARG 33 1HH1 ARG 33 13.922 -5.505 8.811 265 HH12 ARG 33 2HH1 ARG 33 14.576 -6.563 10.022 266 HH21 ARG 33 1HH2 ARG 33 11.839 -8.777 9.940 267 HH22 ARG 33 2HH2 ARG 33 13.371 -8.418 10.682 268 H VAL 34 HN VAL 34 9.944 -5.445 3.004 269 HA VAL 34 HA VAL 34 9.107 -8.102 3.687 270 HB VAL 34 HB VAL 34 6.856 -7.417 3.036 271 HG11 VAL 34 1HG1 VAL 34 8.317 -5.334 4.651 272 HG12 VAL 34 2HG1 VAL 34 7.661 -6.855 5.257 273 HG13 VAL 34 3HG1 VAL 34 6.573 -5.604 4.656 274 HG21 VAL 34 3HG2 VAL 34 6.392 -5.150 2.248 275 HG22 VAL 34 1HG2 VAL 34 7.389 -6.035 1.094 276 HG23 VAL 34 2HG2 VAL 34 8.124 -4.826 2.149 277 H GLY 35 HN GLY 35 9.682 -6.375 0.680 278 HA2 GLY 35 2HA GLY 35 10.127 -7.243 -1.412 279 HA3 GLY 35 1HA GLY 35 9.897 -8.859 -0.760 280 H ASP 36 HN ASP 36 7.381 -8.794 0.175 281 HA ASP 36 HA ASP 36 5.757 -8.245 -2.210 282 HB2 ASP 36 2HB ASP 36 5.432 -10.557 -0.288 283 HB3 ASP 36 1HB ASP 36 4.550 -10.291 -1.780 284 H GLY 37 HN GLY 37 4.041 -6.957 -1.825 285 HA2 GLY 37 2HA GLY 37 2.355 -7.097 0.385 286 HA3 GLY 37 1HA GLY 37 3.585 -5.904 0.766 287 H VAL 38 HN VAL 38 1.165 -4.969 0.797 288 HA VAL 38 HA VAL 38 0.964 -3.397 -1.675 289 HB VAL 38 HB VAL 38 -1.549 -3.397 -1.383 290 HG11 VAL 38 1HG1 VAL 38 -1.858 -5.575 -2.496 291 HG12 VAL 38 2HG1 VAL 38 -0.199 -6.001 -2.073 292 HG13 VAL 38 3HG1 VAL 38 -0.512 -4.652 -3.167 293 HG21 VAL 38 3HG2 VAL 38 -0.962 -5.779 0.371 294 HG22 VAL 38 1HG2 VAL 38 -2.556 -5.274 -0.188 295 HG23 VAL 38 2HG2 VAL 38 -1.636 -4.240 0.909 296 H ILE 39 HN ILE 39 0.716 -1.280 -1.367 297 HA ILE 39 HA ILE 39 0.454 -0.350 1.404 298 HB ILE 39 HB ILE 39 1.579 1.076 -1.018 299 HG12 ILE 39 2HG1 ILE 39 3.646 1.111 0.538 300 HG13 ILE 39 1HG1 ILE 39 2.824 -0.162 1.430 301 HG21 ILE 39 1HG2 ILE 39 1.312 2.069 1.817 302 HG22 ILE 39 2HG2 ILE 39 0.410 2.657 0.419 303 HG23 ILE 39 3HG2 ILE 39 2.154 2.900 0.509 304 HD11 ILE 39 3HD1 ILE 39 4.432 -1.088 -0.122 305 HD12 ILE 39 1HD1 ILE 39 3.638 -0.265 -1.466 306 HD13 ILE 39 2HD1 ILE 39 2.794 -1.542 -0.589 307 H LEU 40 HN LEU 40 -1.376 0.586 2.017 308 HA LEU 40 HA LEU 40 -3.241 1.549 -0.036 309 HG LEU 40 HG LEU 40 -3.622 -1.077 1.880 310 HB2 LEU 40 2HB LEU 40 -3.666 1.082 2.923 311 HB3 LEU 40 1HB LEU 40 -4.892 1.656 1.815 312 HD11 LEU 40 1HD1 LEU 40 -6.473 -0.173 2.212 313 HD12 LEU 40 2HD1 LEU 40 -5.391 -0.658 3.516 314 HD13 LEU 40 3HD1 LEU 40 -5.882 -1.834 2.296 315 HD21 LEU 40 3HD2 LEU 40 -5.558 0.052 -0.138 316 HD22 LEU 40 1HD2 LEU 40 -5.044 -1.632 -0.031 317 HD23 LEU 40 2HD2 LEU 40 -3.875 -0.377 -0.446 318 H LEU 41 HN LEU 41 -3.035 3.656 -0.529 319 HA LEU 41 HA LEU 41 -1.755 5.510 1.217 320 HG LEU 41 HG LEU 41 -1.640 4.722 -1.898 321 HB2 LEU 41 2HB LEU 41 -3.526 6.115 -1.145 322 HB3 LEU 41 1HB LEU 41 -2.405 7.219 -0.382 323 HD11 LEU 41 1HD1 LEU 41 -0.757 6.268 -3.563 324 HD12 LEU 41 2HD1 LEU 41 -1.362 7.634 -2.627 325 HD13 LEU 41 3HD1 LEU 41 -2.493 6.490 -3.350 326 HD21 LEU 41 3HD2 LEU 41 0.069 6.874 -0.649 327 HD22 LEU 41 1HD2 LEU 41 0.655 5.559 -1.668 328 HD23 LEU 41 2HD2 LEU 41 -0.070 5.203 -0.100 329 H SER 42 HN SER 42 -2.670 7.221 2.368 330 HA SER 42 HA SER 42 -5.074 6.552 3.716 331 HG SER 42 HG SER 42 -5.807 8.604 4.850 332 HB2 SER 42 2HB SER 42 -3.197 7.743 4.811 333 HB3 SER 42 1HB SER 42 -3.509 9.143 3.787 334 H SER 43 HN SER 43 -4.304 8.574 1.016 335 HA SER 43 HA SER 43 -5.562 9.781 -0.435 336 HG SER 43 HG SER 43 -9.048 9.012 -0.804 337 HB2 SER 43 2HB SER 43 -6.903 7.671 -0.467 338 HB3 SER 43 1HB SER 43 -7.901 8.317 0.831 339 H ASP 44 HN ASP 44 -7.988 11.026 -0.241 340 HA ASP 44 HA ASP 44 -8.044 12.393 2.346 341 HB2 ASP 44 2HB ASP 44 -8.592 14.539 1.134 342 HB3 ASP 44 1HB ASP 44 -6.932 13.990 0.952 343 HA PRO 45 HA PRO 45 -11.994 10.459 1.483 344 HB2 PRO 45 2HB PRO 45 -12.426 10.655 4.360 345 HB3 PRO 45 1HB PRO 45 -12.224 9.217 3.360 346 HG2 PRO 45 2HG PRO 45 -10.356 10.020 5.145 347 HG3 PRO 45 1HG PRO 45 -9.938 9.186 3.635 348 HD2 PRO 45 2HD PRO 45 -9.837 12.114 4.274 349 HD3 PRO 45 1HD PRO 45 -8.652 11.108 3.411 350 H ARG 46 HN ARG 46 -11.932 13.226 1.006 351 HA ARG 46 HA ARG 46 -14.690 13.692 1.385 352 HE ARG 46 HE ARG 46 -10.767 17.325 4.316 353 HB2 ARG 46 2HB ARG 46 -14.591 15.813 2.638 354 HB3 ARG 46 1HB ARG 46 -14.102 14.430 3.596 355 HG2 ARG 46 2HG ARG 46 -11.738 15.073 3.250 356 HG3 ARG 46 1HG ARG 46 -12.295 16.514 2.391 357 HD2 ARG 46 2HD ARG 46 -13.648 17.059 4.457 358 HD3 ARG 46 1HD ARG 46 -12.755 15.781 5.274 359 HH11 ARG 46 1HH1 ARG 46 -13.705 18.063 6.076 360 HH12 ARG 46 2HH1 ARG 46 -13.050 19.473 6.857 361 HH21 ARG 46 1HH2 ARG 46 -9.872 19.181 5.386 362 HH22 ARG 46 2HH2 ARG 46 -10.867 20.088 6.487 363 H ARG 47 HN ARG 47 -14.677 13.816 -0.812 364 HA ARG 47 HA ARG 47 -13.826 16.442 -1.834 365 HE ARG 47 HE ARG 47 -9.538 13.894 -2.765 366 HB2 ARG 47 2HB ARG 47 -13.851 13.845 -3.399 367 HB3 ARG 47 1HB ARG 47 -13.497 15.432 -4.067 368 HG2 ARG 47 2HG ARG 47 -11.516 15.573 -2.627 369 HG3 ARG 47 1HG ARG 47 -11.865 13.954 -2.015 370 HD2 ARG 47 2HD ARG 47 -11.673 13.074 -4.313 371 HD3 ARG 47 1HD ARG 47 -11.257 14.693 -4.878 372 HH11 ARG 47 1HH1 ARG 47 -10.106 13.379 -6.200 373 HH12 ARG 47 2HH1 ARG 47 -8.458 12.919 -6.519 374 HH21 ARG 47 1HH2 ARG 47 -7.408 13.286 -3.186 375 HH22 ARG 47 2HH2 ARG 47 -6.920 12.874 -4.810 376 H THR 48 HN THR 48 -15.413 14.301 -3.947 377 HA THR 48 HA THR 48 -18.086 14.964 -3.048 378 HB THR 48 HB THR 48 -17.574 15.328 -5.981 379 HG1 THR 48 1HG THR 48 -16.304 16.963 -5.464 380 HG21 THR 48 3HG2 THR 48 -19.523 16.798 -5.800 381 HG22 THR 48 1HG2 THR 48 -19.552 16.553 -4.054 382 HG23 THR 48 2HG2 THR 48 -19.872 15.200 -5.137 383 HA PRO 49 HA PRO 49 -17.987 11.001 -5.674 384 HB2 PRO 49 2HB PRO 49 -15.719 10.736 -7.351 385 HB3 PRO 49 1HB PRO 49 -17.369 11.107 -7.853 386 HG2 PRO 49 2HG PRO 49 -15.176 12.824 -8.043 387 HG3 PRO 49 1HG PRO 49 -16.880 13.294 -8.169 388 HD2 PRO 49 2HD PRO 49 -15.020 13.490 -5.842 389 HD3 PRO 49 1HD PRO 49 -16.325 14.588 -6.341 390 H GLU 50 HN GLU 50 -17.477 9.351 -4.376 391 HA GLU 50 HA GLU 50 -14.932 9.429 -2.952 392 HB2 GLU 50 2HB GLU 50 -17.333 7.640 -2.520 393 HB3 GLU 50 1HB GLU 50 -15.957 7.820 -1.437 394 HG2 GLU 50 2HG GLU 50 -16.545 10.077 -0.946 395 HG3 GLU 50 1HG GLU 50 -17.793 10.076 -2.188 396 H VAL 51 HN VAL 51 -13.370 8.607 -4.234 397 HA VAL 51 HA VAL 51 -13.877 5.984 -5.475 398 HB VAL 51 HB VAL 51 -12.060 6.528 -7.069 399 HG11 VAL 51 1HG1 VAL 51 -14.434 6.932 -7.612 400 HG12 VAL 51 2HG1 VAL 51 -13.347 8.044 -8.440 401 HG13 VAL 51 3HG1 VAL 51 -14.263 8.588 -7.033 402 HG21 VAL 51 3HG2 VAL 51 -12.174 9.259 -5.790 403 HG22 VAL 51 1HG2 VAL 51 -11.300 8.859 -7.268 404 HG23 VAL 51 2HG2 VAL 51 -10.817 8.135 -5.734 405 H SER 52 HN SER 52 -12.406 4.362 -5.274 406 HA SER 52 HA SER 52 -10.816 3.054 -4.345 407 HG SER 52 HG SER 52 -8.235 4.821 -5.933 408 HB2 SER 52 2HB SER 52 -9.319 5.666 -4.027 409 HB3 SER 52 1HB SER 52 -8.614 4.060 -3.855 410 H ASP 53 HN ASP 53 -12.787 4.766 -2.587 411 HA ASP 53 HA ASP 53 -11.374 4.747 -0.052 412 HB2 ASP 53 2HB ASP 53 -13.123 6.496 -0.830 413 HB3 ASP 53 1HB ASP 53 -14.318 5.282 -0.383 414 H ASN 54 HN ASN 54 -11.256 2.275 -0.875 415 HA ASN 54 HA ASN 54 -13.262 0.853 0.752 416 HB2 ASN 54 2HB ASN 54 -12.166 -0.020 -1.935 417 HB3 ASN 54 1HB ASN 54 -13.088 -1.064 -0.863 418 HD21 ASN 54 1HD2 ASN 54 -13.683 -0.228 -3.575 419 HD22 ASN 54 2HD2 ASN 54 -15.224 0.566 -3.512 420 HA PRO 55 HA PRO 55 -8.736 -0.269 1.684 421 HB2 PRO 55 2HB PRO 55 -9.128 0.853 4.349 422 HB3 PRO 55 1HB PRO 55 -7.895 1.246 3.149 423 HG2 PRO 55 2HG PRO 55 -9.870 2.967 3.830 424 HG3 PRO 55 1HG PRO 55 -9.153 2.921 2.210 425 HD2 PRO 55 2HD PRO 55 -11.737 1.747 3.175 426 HD3 PRO 55 1HD PRO 55 -11.390 2.611 1.660 427 H VAL 56 HN VAL 56 -11.670 -0.373 3.595 428 HA VAL 56 HA VAL 56 -10.875 -2.469 5.341 429 HB VAL 56 HB VAL 56 -12.698 -0.864 5.832 430 HG11 VAL 56 1HG1 VAL 56 -14.919 -1.195 4.857 431 HG12 VAL 56 2HG1 VAL 56 -14.251 -2.415 3.772 432 HG13 VAL 56 3HG1 VAL 56 -13.724 -0.738 3.643 433 HG21 VAL 56 3HG2 VAL 56 -12.585 -2.912 7.110 434 HG22 VAL 56 1HG2 VAL 56 -13.521 -3.761 5.879 435 HG23 VAL 56 2HG2 VAL 56 -14.270 -2.475 6.825 436 H MET 57 HN MET 57 -11.915 -2.375 2.111 437 HA MET 57 HA MET 57 -12.912 -5.121 2.104 438 HB2 MET 57 2HB MET 57 -12.875 -2.993 -0.041 439 HB3 MET 57 1HB MET 57 -13.528 -4.609 -0.261 440 HG2 MET 57 2HG MET 57 -15.246 -4.218 1.340 441 HG3 MET 57 1HG MET 57 -14.524 -2.684 1.821 442 HE1 MET 57 3HE MET 57 -14.745 -3.991 -1.859 443 HE2 MET 57 1HE MET 57 -16.300 -3.353 -2.390 444 HE3 MET 57 2HE MET 57 -16.240 -4.627 -1.172 445 H ILE 58 HN ILE 58 -9.953 -3.902 2.075 446 HA ILE 58 HA ILE 58 -8.886 -5.038 -0.333 447 HB ILE 58 HB ILE 58 -7.909 -3.065 0.987 448 HG12 ILE 58 2HG1 ILE 58 -5.574 -3.691 0.365 449 HG13 ILE 58 1HG1 ILE 58 -6.124 -5.341 0.088 450 HG21 ILE 58 1HG2 ILE 58 -6.231 -3.648 2.687 451 HG22 ILE 58 2HG2 ILE 58 -6.756 -5.330 2.613 452 HG23 ILE 58 3HG2 ILE 58 -7.865 -4.085 3.186 453 HD11 ILE 58 3HD1 ILE 58 -7.067 -2.901 -1.399 454 HD12 ILE 58 1HD1 ILE 58 -7.594 -4.557 -1.689 455 HD13 ILE 58 2HD1 ILE 58 -5.918 -4.099 -1.993 456 H ALA 59 HN ALA 59 -9.729 -6.255 2.731 457 HA ALA 59 HA ALA 59 -7.744 -8.257 3.038 458 HB1 ALA 59 1HB ALA 59 -9.153 -9.166 4.768 459 HB2 ALA 59 2HB ALA 59 -10.533 -8.238 4.181 460 HB3 ALA 59 3HB ALA 59 -9.149 -7.405 4.888 461 H GLU 60 HN GLU 60 -11.124 -8.445 1.891 462 HA GLU 60 HA GLU 60 -10.920 -11.196 1.203 463 HB2 GLU 60 2HB GLU 60 -13.076 -10.952 0.144 464 HB3 GLU 60 1HB GLU 60 -13.080 -10.083 1.668 465 HG2 GLU 60 2HG GLU 60 -12.780 -7.976 0.471 466 HG3 GLU 60 1HG GLU 60 -12.776 -8.850 -1.060 467 H LEU 61 HN LEU 61 -10.202 -8.247 -0.455 468 HA LEU 61 HA LEU 61 -10.067 -9.299 -3.093 469 HG LEU 61 HG LEU 61 -9.296 -5.905 -4.233 470 HB2 LEU 61 2HB LEU 61 -10.228 -6.856 -2.308 471 HB3 LEU 61 1HB LEU 61 -8.507 -6.950 -2.043 472 HD11 LEU 61 1HD1 LEU 61 -6.977 -6.564 -3.840 473 HD12 LEU 61 2HD1 LEU 61 -7.457 -6.871 -5.508 474 HD13 LEU 61 3HD1 LEU 61 -7.352 -8.205 -4.362 475 HD21 LEU 61 3HD2 LEU 61 -9.790 -8.807 -4.870 476 HD22 LEU 61 1HD2 LEU 61 -9.772 -7.488 -6.042 477 HD23 LEU 61 2HD2 LEU 61 -11.006 -7.533 -4.783 478 H LEU 62 HN LEU 62 -7.578 -8.451 -0.725 479 HA LEU 62 HA LEU 62 -5.339 -9.149 -2.212 480 HG LEU 62 HG LEU 62 -3.427 -10.171 -0.079 481 HB2 LEU 62 2HB LEU 62 -5.374 -7.862 -0.077 482 HB3 LEU 62 1HB LEU 62 -5.607 -9.369 0.779 483 HD11 LEU 62 1HD1 LEU 62 -3.307 -8.869 -2.119 484 HD12 LEU 62 2HD1 LEU 62 -1.898 -8.541 -1.107 485 HD13 LEU 62 3HD1 LEU 62 -3.218 -7.373 -1.186 486 HD21 LEU 62 3HD2 LEU 62 -3.577 -9.127 2.112 487 HD22 LEU 62 1HD2 LEU 62 -3.340 -7.537 1.383 488 HD23 LEU 62 2HD2 LEU 62 -2.045 -8.733 1.332 489 H ARG 63 HN ARG 63 -7.369 -11.199 -0.195 490 HA ARG 63 HA ARG 63 -5.542 -13.399 -0.206 491 HE ARG 63 HE ARG 63 -8.610 -12.618 3.034 492 HB2 ARG 63 2HB ARG 63 -7.382 -14.684 0.809 493 HB3 ARG 63 1HB ARG 63 -7.083 -13.163 1.633 494 HG2 ARG 63 2HG ARG 63 -9.010 -12.165 0.564 495 HG3 ARG 63 1HG ARG 63 -9.285 -13.642 -0.361 496 HD2 ARG 63 2HD ARG 63 -10.772 -13.478 1.586 497 HD3 ARG 63 1HD ARG 63 -9.709 -14.881 1.677 498 HH11 ARG 63 1HH1 ARG 63 -10.908 -15.240 3.339 499 HH12 ARG 63 2HH1 ARG 63 -10.855 -15.264 5.077 500 HH21 ARG 63 1HH2 ARG 63 -8.501 -12.662 5.309 501 HH22 ARG 63 2HH2 ARG 63 -9.465 -13.803 6.198 502 H GLU 64 HN GLU 64 -6.874 -12.219 -2.812 503 HA GLU 64 HA GLU 64 -7.841 -14.701 -3.982 504 HB2 GLU 64 2HB GLU 64 -8.437 -12.108 -4.513 505 HB3 GLU 64 1HB GLU 64 -7.177 -12.376 -5.706 506 HG2 GLU 64 2HG GLU 64 -9.568 -14.175 -5.443 507 HG3 GLU 64 1HG GLU 64 -9.566 -12.733 -6.450 508 H PHE 65 HN PHE 65 -4.947 -13.043 -3.405 509 HA PHE 65 HA PHE 65 -3.511 -14.628 -5.440 510 HD1 PHE 65 2HD PHE 65 -4.059 -13.161 -7.547 511 HD2 PHE 65 1HD PHE 65 -3.912 -10.202 -4.500 512 HE1 PHE 65 2HE PHE 65 -5.723 -11.825 -8.774 513 HE2 PHE 65 1HE PHE 65 -5.582 -8.865 -5.710 514 HZ PHE 65 HZ PHE 65 -6.491 -9.677 -7.852 515 HB2 PHE 65 2HB PHE 65 -2.502 -12.004 -4.362 516 HB3 PHE 65 1HB PHE 65 -2.050 -12.827 -5.848 517 HA PRO 66 HA PRO 66 -1.882 -15.415 -1.123 518 HB2 PRO 66 2HB PRO 66 -2.618 -17.960 -0.744 519 HB3 PRO 66 1HB PRO 66 -3.747 -16.623 -0.493 520 HG2 PRO 66 2HG PRO 66 -3.555 -18.543 -2.756 521 HG3 PRO 66 1HG PRO 66 -4.987 -17.791 -2.038 522 HD2 PRO 66 2HD PRO 66 -3.691 -16.976 -4.385 523 HD3 PRO 66 1HD PRO 66 -4.887 -16.040 -3.472 524 H GLN 67 HN GLN 67 -0.455 -15.471 -3.568 525 HA GLN 67 HA GLN 67 0.969 -17.981 -3.744 526 HB2 GLN 67 2HB GLN 67 1.545 -15.309 -5.041 527 HB3 GLN 67 1HB GLN 67 2.341 -16.823 -5.429 528 HG2 GLN 67 2HG GLN 67 0.214 -17.737 -6.216 529 HG3 GLN 67 1HG GLN 67 -0.574 -16.204 -5.839 530 HE21 GLN 67 1HE2 GLN 67 -1.186 -15.871 -7.985 531 HE22 GLN 67 2HE2 GLN 67 -0.031 -15.410 -9.195 532 H PHE 68 HN PHE 68 1.456 -14.774 -2.428 533 HA PHE 68 HA PHE 68 4.025 -15.640 -1.276 534 HD1 PHE 68 2HD PHE 68 5.233 -15.166 -3.914 535 HD2 PHE 68 1HD PHE 68 2.382 -12.043 -3.558 536 HE1 PHE 68 2HE PHE 68 4.999 -15.113 -6.362 537 HE2 PHE 68 1HE PHE 68 2.127 -11.982 -6.002 538 HZ PHE 68 HZ PHE 68 3.442 -13.517 -7.408 539 HB2 PHE 68 2HB PHE 68 3.530 -12.738 -1.683 540 HB3 PHE 68 1HB PHE 68 5.022 -13.653 -1.840 541 H ASP 69 HN ASP 69 4.572 -14.048 0.643 542 HA ASP 69 HA ASP 69 2.209 -13.891 2.347 543 HB2 ASP 69 2HB ASP 69 4.243 -14.816 3.357 544 HB3 ASP 69 1HB ASP 69 5.121 -13.335 2.983 545 H TRP 70 HN TRP 70 1.077 -12.221 1.418 546 HA TRP 70 HA TRP 70 2.301 -9.697 0.867 547 HD1 TRP 70 1HD TRP 70 -0.028 -12.589 -0.641 548 HE1 TRP 70 1HE TRP 70 0.304 -12.623 -3.183 549 HE3 TRP 70 3HE TRP 70 0.810 -7.607 -1.424 550 HZ2 TRP 70 2HZ TRP 70 0.824 -10.788 -5.257 551 HZ3 TRP 70 3HZ TRP 70 1.207 -6.828 -3.725 552 HH2 TRP 70 2HH TRP 70 1.214 -8.392 -5.599 553 HB2 TRP 70 2HB TRP 70 -0.606 -10.482 1.035 554 HB3 TRP 70 1HB TRP 70 -0.032 -8.907 0.516 555 H GLN 71 HN GLN 71 2.251 -7.869 2.005 556 HA GLN 71 HA GLN 71 1.032 -7.930 4.678 557 HB2 GLN 71 2HB GLN 71 3.626 -6.510 4.064 558 HB3 GLN 71 1HB GLN 71 2.922 -6.843 5.641 559 HG2 GLN 71 2HG GLN 71 3.190 -9.349 4.774 560 HG3 GLN 71 1HG GLN 71 4.482 -8.593 3.844 561 HE21 GLN 71 1HE2 GLN 71 4.665 -10.543 5.950 562 HE22 GLN 71 2HE2 GLN 71 5.617 -9.827 7.210 563 H VAL 72 HN VAL 72 -0.093 -6.081 5.227 564 HA VAL 72 HA VAL 72 -0.324 -4.115 3.053 565 HB VAL 72 HB VAL 72 -2.314 -4.546 5.280 566 HG11 VAL 72 1HG1 VAL 72 -2.531 -3.158 2.611 567 HG12 VAL 72 2HG1 VAL 72 -2.443 -2.378 4.190 568 HG13 VAL 72 3HG1 VAL 72 -3.843 -3.364 3.772 569 HG21 VAL 72 3HG2 VAL 72 -3.660 -5.794 3.625 570 HG22 VAL 72 1HG2 VAL 72 -2.159 -6.614 4.046 571 HG23 VAL 72 2HG2 VAL 72 -2.290 -5.750 2.515 572 H ALA 73 HN ALA 73 0.260 -2.086 3.367 573 HA ALA 73 HA ALA 73 0.658 -1.154 6.134 574 HB1 ALA 73 1HB ALA 73 2.624 0.082 5.428 575 HB2 ALA 73 2HB ALA 73 2.424 -0.500 3.775 576 HB3 ALA 73 3HB ALA 73 2.821 -1.632 5.067 577 H VAL 74 HN VAL 74 0.332 1.067 6.498 578 HA VAL 74 HA VAL 74 -1.036 2.533 4.344 579 HB VAL 74 HB VAL 74 -2.526 3.533 6.112 580 HG11 VAL 74 1HG1 VAL 74 -3.333 1.823 4.567 581 HG12 VAL 74 2HG1 VAL 74 -4.085 1.656 6.154 582 HG13 VAL 74 3HG1 VAL 74 -2.788 0.562 5.672 583 HG21 VAL 74 3HG2 VAL 74 -1.205 2.936 8.076 584 HG22 VAL 74 1HG2 VAL 74 -1.498 1.223 7.761 585 HG23 VAL 74 2HG2 VAL 74 -2.840 2.283 8.194 586 H ALA 75 HN ALA 75 -1.076 4.922 4.775 587 HA ALA 75 HA ALA 75 1.234 5.758 6.392 588 HB1 ALA 75 1HB ALA 75 1.989 7.238 4.605 589 HB2 ALA 75 2HB ALA 75 0.692 6.654 3.563 590 HB3 ALA 75 3HB ALA 75 1.976 5.557 4.072 591 H ASP 76 HN ASP 76 1.286 8.153 6.704 592 HA ASP 76 HA ASP 76 -1.157 9.025 7.814 593 HB2 ASP 76 2HB ASP 76 1.029 9.735 8.682 594 HB3 ASP 76 1HB ASP 76 1.341 10.620 7.193 595 H LEU 77 HN LEU 77 -2.271 11.046 7.293 596 HA LEU 77 HA LEU 77 -3.565 10.759 4.886 597 HG LEU 77 HG LEU 77 -5.527 11.013 6.320 598 HB2 LEU 77 2HB LEU 77 -3.416 13.121 6.744 599 HB3 LEU 77 1HB LEU 77 -4.456 13.096 5.336 600 HD11 LEU 77 1HD1 LEU 77 -3.857 10.371 7.928 601 HD12 LEU 77 2HD1 LEU 77 -5.343 10.788 8.781 602 HD13 LEU 77 3HD1 LEU 77 -3.996 11.924 8.751 603 HD21 LEU 77 3HD2 LEU 77 -6.946 12.320 7.837 604 HD22 LEU 77 1HD2 LEU 77 -6.624 13.171 6.324 605 HD23 LEU 77 2HD2 LEU 77 -5.763 13.629 7.794 606 H GLU 78 HN GLU 78 -1.229 13.379 5.667 607 HA GLU 78 HA GLU 78 -1.511 14.462 3.040 608 HB2 GLU 78 2HB GLU 78 0.223 16.048 3.806 609 HB3 GLU 78 1HB GLU 78 -1.167 15.969 4.863 610 HG2 GLU 78 2HG GLU 78 0.069 14.609 6.429 611 HG3 GLU 78 1HG GLU 78 1.455 14.575 5.339 612 H GLN 79 HN GLN 79 0.963 12.571 4.720 613 HA GLN 79 HA GLN 79 2.964 12.910 2.754 614 HB2 GLN 79 2HB GLN 79 4.134 11.090 3.857 615 HB3 GLN 79 1HB GLN 79 3.467 12.204 5.037 616 HG2 GLN 79 2HG GLN 79 1.599 10.657 5.398 617 HG3 GLN 79 1HG GLN 79 2.354 9.528 4.276 618 HE21 GLN 79 1HE2 GLN 79 4.164 11.519 6.524 619 HE22 GLN 79 2HE2 GLN 79 4.683 10.219 7.539 620 H SER 80 HN SER 80 0.329 10.675 3.093 621 HA SER 80 HA SER 80 0.961 8.705 1.267 622 HG SER 80 HG SER 80 -0.947 8.922 3.593 623 HB2 SER 80 2HB SER 80 -1.705 10.009 1.807 624 HB3 SER 80 1HB SER 80 -1.508 8.552 0.836 625 H GLU 81 HN GLU 81 -0.040 12.010 0.639 626 HA GLU 81 HA GLU 81 -0.633 11.666 -2.124 627 HB2 GLU 81 2HB GLU 81 -1.200 13.602 -0.405 628 HB3 GLU 81 1HB GLU 81 0.307 14.279 -0.998 629 HG2 GLU 81 2HG GLU 81 -2.020 13.530 -2.753 630 HG3 GLU 81 1HG GLU 81 -1.731 15.146 -2.117 631 H ALA 82 HN ALA 82 2.227 12.624 -0.293 632 HA ALA 82 HA ALA 82 3.829 13.203 -2.586 633 HB1 ALA 82 1HB ALA 82 4.702 12.634 0.245 634 HB2 ALA 82 2HB ALA 82 4.254 14.219 -0.389 635 HB3 ALA 82 3HB ALA 82 5.674 13.384 -1.020 636 H ILE 83 HN ILE 83 3.172 10.351 -0.689 637 HA ILE 83 HA ILE 83 5.366 8.784 -1.496 638 HB ILE 83 HB ILE 83 2.602 7.934 -0.619 639 HG12 ILE 83 2HG1 ILE 83 5.240 8.095 0.848 640 HG13 ILE 83 1HG1 ILE 83 3.888 9.204 1.046 641 HG21 ILE 83 1HG2 ILE 83 5.102 6.276 -0.925 642 HG22 ILE 83 2HG2 ILE 83 3.635 6.142 -1.896 643 HG23 ILE 83 3HG2 ILE 83 3.597 5.734 -0.181 644 HD11 ILE 83 3HD1 ILE 83 3.988 7.611 2.863 645 HD12 ILE 83 1HD1 ILE 83 3.891 6.272 1.719 646 HD13 ILE 83 2HD1 ILE 83 2.524 7.370 1.908 647 H GLY 84 HN GLY 84 2.203 9.347 -2.979 648 HA2 GLY 84 2HA GLY 84 2.412 7.443 -5.046 649 HA3 GLY 84 1HA GLY 84 1.467 8.924 -5.123 650 H ASP 85 HN ASP 85 3.712 10.676 -4.694 651 HA ASP 85 HA ASP 85 4.660 10.872 -7.387 652 HB2 ASP 85 2HB ASP 85 4.175 12.856 -5.993 653 HB3 ASP 85 1HB ASP 85 5.510 12.416 -4.937 654 H ARG 86 HN ARG 86 5.968 9.838 -4.311 655 HA ARG 86 HA ARG 86 8.654 9.489 -4.952 656 HE ARG 86 HE ARG 86 10.891 5.859 -2.680 657 HB2 ARG 86 2HB ARG 86 7.987 9.217 -2.691 658 HB3 ARG 86 1HB ARG 86 6.808 7.984 -3.103 659 HG2 ARG 86 2HG ARG 86 8.716 6.999 -1.994 660 HG3 ARG 86 1HG ARG 86 8.623 6.439 -3.665 661 HD2 ARG 86 2HD ARG 86 10.325 8.111 -4.288 662 HD3 ARG 86 1HD ARG 86 10.441 8.598 -2.596 663 HH11 ARG 86 1HH1 ARG 86 12.360 8.759 -3.950 664 HH12 ARG 86 2HH1 ARG 86 13.976 8.123 -3.904 665 HH21 ARG 86 1HH2 ARG 86 13.013 4.982 -2.627 666 HH22 ARG 86 2HH2 ARG 86 14.349 5.965 -3.169 667 H PHE 87 HN PHE 87 5.918 7.291 -5.483 668 HA PHE 87 HA PHE 87 7.618 5.346 -6.784 669 HD1 PHE 87 2HD PHE 87 7.761 3.838 -5.361 670 HD2 PHE 87 1HD PHE 87 3.678 4.704 -4.533 671 HE1 PHE 87 2HE PHE 87 8.016 2.870 -3.114 672 HE2 PHE 87 1HE PHE 87 3.929 3.739 -2.283 673 HZ PHE 87 HZ PHE 87 6.097 2.820 -1.573 674 HB2 PHE 87 2HB PHE 87 4.611 5.463 -6.494 675 HB3 PHE 87 1HB PHE 87 5.505 4.110 -7.180 676 H ASN 88 HN ASN 88 6.422 8.237 -7.686 677 HA ASN 88 HA ASN 88 6.249 9.345 -9.652 678 HB2 ASN 88 2HB ASN 88 7.660 6.863 -10.621 679 HB3 ASN 88 1HB ASN 88 7.208 8.156 -11.724 680 HD21 ASN 88 1HD2 ASN 88 8.206 8.778 -8.426 681 HD22 ASN 88 2HD2 ASN 88 9.726 9.498 -8.819 682 H VAL 89 HN VAL 89 4.028 7.971 -8.678 683 HA VAL 89 HA VAL 89 2.700 6.761 -10.973 684 HB VAL 89 HB VAL 89 1.475 7.399 -8.277 685 HG11 VAL 89 1HG1 VAL 89 -0.101 6.786 -10.032 686 HG12 VAL 89 2HG1 VAL 89 -0.021 5.541 -8.785 687 HG13 VAL 89 3HG1 VAL 89 0.796 5.297 -10.329 688 HG21 VAL 89 3HG2 VAL 89 3.509 6.115 -7.901 689 HG22 VAL 89 1HG2 VAL 89 2.969 4.898 -9.057 690 HG23 VAL 89 2HG2 VAL 89 2.078 5.145 -7.555 691 H ARG 90 HN ARG 90 0.338 7.631 -11.310 692 HA ARG 90 HA ARG 90 0.534 10.329 -12.184 693 HE ARG 90 HE ARG 90 -1.059 11.472 -14.418 694 HB2 ARG 90 2HB ARG 90 -1.824 8.455 -12.006 695 HB3 ARG 90 1HB ARG 90 -1.876 10.031 -12.783 696 HG2 ARG 90 2HG ARG 90 -0.010 7.821 -13.604 697 HG3 ARG 90 1HG ARG 90 -1.593 8.105 -14.333 698 HD2 ARG 90 2HD ARG 90 0.743 10.012 -14.288 699 HD3 ARG 90 1HD ARG 90 0.131 9.128 -15.684 700 HH11 ARG 90 1HH1 ARG 90 -1.380 8.891 -16.758 701 HH12 ARG 90 2HH1 ARG 90 -2.631 9.680 -17.665 702 HH21 ARG 90 1HH2 ARG 90 -2.712 12.521 -15.593 703 HH22 ARG 90 2HH2 ARG 90 -3.376 11.766 -17.012 704 H ARG 91 HN ARG 91 0.308 9.398 -9.136 705 HA ARG 91 HA ARG 91 -0.334 10.335 -7.178 706 HE ARG 91 HE ARG 91 3.333 13.657 -7.962 707 HB2 ARG 91 2HB ARG 91 -0.908 12.750 -8.898 708 HB3 ARG 91 1HB ARG 91 -0.906 12.748 -7.141 709 HG2 ARG 91 2HG ARG 91 1.460 12.154 -7.142 710 HG3 ARG 91 1HG ARG 91 1.458 12.153 -8.907 711 HD2 ARG 91 2HD ARG 91 0.820 14.519 -8.900 712 HD3 ARG 91 1HD ARG 91 0.824 14.516 -7.139 713 HH11 ARG 91 1HH1 ARG 91 1.368 16.535 -8.209 714 HH12 ARG 91 2HH1 ARG 91 2.727 17.620 -8.252 715 HH21 ARG 91 1HH2 ARG 91 5.127 15.067 -8.024 716 HH22 ARG 91 2HH2 ARG 91 4.859 16.781 -8.153 717 H PHE 92 HN PHE 92 -2.040 8.922 -6.855 718 HA PHE 92 HA PHE 92 -4.552 10.139 -6.449 719 HD1 PHE 92 1HD PHE 92 -2.940 8.924 -10.089 720 HD2 PHE 92 2HD PHE 92 -5.650 6.353 -8.051 721 HE1 PHE 92 1HE PHE 92 -2.080 7.008 -11.366 722 HE2 PHE 92 2HE PHE 92 -4.786 4.432 -9.324 723 HZ PHE 92 HZ PHE 92 -2.998 4.760 -10.985 724 HB2 PHE 92 2HB PHE 92 -5.917 8.740 -7.965 725 HB3 PHE 92 1HB PHE 92 -4.848 9.814 -8.856 726 HA PRO 93 HA PRO 93 -4.804 6.865 -3.473 727 HB2 PRO 93 2HB PRO 93 -7.508 6.278 -3.581 728 HB3 PRO 93 1HB PRO 93 -6.787 7.583 -2.636 729 HG2 PRO 93 2HG PRO 93 -8.133 7.690 -5.298 730 HG3 PRO 93 1HG PRO 93 -8.195 8.849 -3.958 731 HD2 PRO 93 2HD PRO 93 -6.698 9.281 -6.152 732 HD3 PRO 93 1HD PRO 93 -6.183 9.823 -4.540 733 H ALA 94 HN ALA 94 -4.044 4.908 -3.841 734 HA ALA 94 HA ALA 94 -5.397 2.972 -5.478 735 HB1 ALA 94 1HB ALA 94 -2.733 4.054 -6.398 736 HB2 ALA 94 2HB ALA 94 -4.278 4.250 -7.229 737 HB3 ALA 94 3HB ALA 94 -3.558 2.648 -7.070 738 H THR 95 HN THR 95 -4.392 0.893 -5.347 739 HA THR 95 HA THR 95 -2.795 0.540 -2.942 740 HB THR 95 HB THR 95 -3.836 -1.578 -4.836 741 HG1 THR 95 1HG THR 95 -5.050 -0.432 -2.522 742 HG21 THR 95 3HG2 THR 95 -2.075 -2.306 -3.285 743 HG22 THR 95 1HG2 THR 95 -3.628 -3.049 -2.898 744 HG23 THR 95 2HG2 THR 95 -3.030 -1.703 -1.929 745 H LEU 96 HN LEU 96 -0.633 0.138 -2.979 746 HA LEU 96 HA LEU 96 0.653 0.053 -5.592 747 HG LEU 96 HG LEU 96 2.703 2.512 -3.758 748 HB2 LEU 96 2HB LEU 96 1.739 0.407 -2.804 749 HB3 LEU 96 1HB LEU 96 2.775 0.191 -4.201 750 HD11 LEU 96 1HD1 LEU 96 0.826 1.909 -6.032 751 HD12 LEU 96 2HD1 LEU 96 2.587 1.967 -6.105 752 HD13 LEU 96 3HD1 LEU 96 1.670 3.438 -5.777 753 HD21 LEU 96 3HD2 LEU 96 0.616 3.801 -3.619 754 HD22 LEU 96 1HD2 LEU 96 0.759 2.611 -2.324 755 HD23 LEU 96 2HD2 LEU 96 -0.303 2.298 -3.699 756 H VAL 97 HN VAL 97 1.436 -1.707 -6.483 757 HA VAL 97 HA VAL 97 1.218 -4.201 -4.955 758 HB VAL 97 HB VAL 97 1.441 -3.835 -7.948 759 HG11 VAL 97 1HG1 VAL 97 0.725 -6.173 -8.066 760 HG12 VAL 97 2HG1 VAL 97 0.744 -6.267 -6.304 761 HG13 VAL 97 3HG1 VAL 97 2.246 -6.004 -7.189 762 HG21 VAL 97 3HG2 VAL 97 -0.636 -2.875 -7.118 763 HG22 VAL 97 1HG2 VAL 97 -0.996 -4.364 -6.246 764 HG23 VAL 97 2HG2 VAL 97 -0.957 -4.362 -8.008 765 H PHE 98 HN PHE 98 3.042 -4.879 -4.076 766 HA PHE 98 HA PHE 98 5.500 -4.676 -5.679 767 HD1 PHE 98 2HD PHE 98 7.860 -3.468 -5.001 768 HD2 PHE 98 1HD PHE 98 4.435 -1.958 -2.989 769 HE1 PHE 98 2HE PHE 98 8.514 -1.193 -5.617 770 HE2 PHE 98 1HE PHE 98 5.080 0.336 -3.601 771 HZ PHE 98 HZ PHE 98 7.127 0.725 -4.918 772 HB2 PHE 98 2HB PHE 98 5.053 -4.219 -2.754 773 HB3 PHE 98 1HB PHE 98 6.620 -4.794 -3.323 774 H THR 99 HN THR 99 6.588 -6.455 -6.060 775 HA THR 99 HA THR 99 6.078 -8.867 -4.470 776 HB THR 99 HB THR 99 5.898 -10.248 -6.531 777 HG1 THR 99 1HG THR 99 6.746 -8.205 -7.776 778 HG21 THR 99 3HG2 THR 99 3.574 -9.688 -7.086 779 HG22 THR 99 1HG2 THR 99 3.758 -8.131 -6.277 780 HG23 THR 99 2HG2 THR 99 3.856 -9.627 -5.346 781 H ASP 100 HN ASP 100 7.921 -9.931 -4.070 782 HA ASP 100 HA ASP 100 10.087 -10.630 -4.155 783 HB2 ASP 100 2HB ASP 100 9.206 -11.074 -6.625 784 HB3 ASP 100 1HB ASP 100 10.378 -9.823 -7.019 785 H GLY 101 HN GLY 101 9.322 -7.721 -3.814 786 HA2 GLY 101 2HA GLY 101 10.568 -5.871 -3.160 787 HA3 GLY 101 1HA GLY 101 12.018 -6.668 -3.756 788 H LYS 102 HN LYS 102 9.641 -6.803 -6.080 789 HA LYS 102 HA LYS 102 10.886 -4.562 -7.518 790 HB2 LYS 102 2HB LYS 102 11.189 -6.813 -8.481 791 HB3 LYS 102 1HB LYS 102 9.447 -7.008 -8.572 792 HG2 LYS 102 2HG LYS 102 9.310 -5.198 -10.184 793 HG3 LYS 102 1HG LYS 102 11.053 -4.945 -10.064 794 HD2 LYS 102 2HD LYS 102 11.446 -7.204 -10.906 795 HD3 LYS 102 1HD LYS 102 9.707 -7.480 -11.000 796 HE2 LYS 102 2HE LYS 102 10.652 -6.939 -13.188 797 HE3 LYS 102 1HE LYS 102 9.501 -5.713 -12.661 798 HZ1 LYS 102 3HZ LYS 102 12.424 -5.426 -12.267 799 HZ2 LYS 102 1HZ LYS 102 11.229 -4.226 -12.159 800 HZ3 LYS 102 2HZ LYS 102 11.635 -4.886 -13.669 801 H LEU 103 HN LEU 103 9.651 -3.005 -8.477 802 HA LEU 103 HA LEU 103 6.956 -2.672 -7.518 803 HG LEU 103 HG LEU 103 6.367 -0.477 -9.884 804 HB2 LEU 103 2HB LEU 103 8.374 -0.730 -7.641 805 HB3 LEU 103 1HB LEU 103 8.698 -1.011 -9.339 806 HD11 LEU 103 1HD1 LEU 103 4.891 0.476 -8.184 807 HD12 LEU 103 2HD1 LEU 103 6.077 0.085 -6.938 808 HD13 LEU 103 3HD1 LEU 103 5.287 -1.208 -7.844 809 HD21 LEU 103 3HD2 LEU 103 7.769 1.602 -8.208 810 HD22 LEU 103 1HD2 LEU 103 6.456 1.924 -9.344 811 HD23 LEU 103 2HD2 LEU 103 8.001 1.304 -9.930 812 H ARG 104 HN ARG 104 5.200 -3.383 -8.486 813 HA ARG 104 HA ARG 104 5.360 -4.220 -11.290 814 HE ARG 104 HE ARG 104 3.776 -7.985 -11.472 815 HB2 ARG 104 2HB ARG 104 3.352 -4.854 -9.124 816 HB3 ARG 104 1HB ARG 104 3.219 -5.412 -10.789 817 HG2 ARG 104 2HG ARG 104 5.527 -6.034 -8.957 818 HG3 ARG 104 1HG ARG 104 4.155 -7.104 -9.253 819 HD2 ARG 104 2HD ARG 104 6.003 -6.067 -11.401 820 HD3 ARG 104 1HD ARG 104 6.168 -7.640 -10.616 821 HH11 ARG 104 1HH1 ARG 104 6.234 -6.148 -13.179 822 HH12 ARG 104 2HH1 ARG 104 5.570 -6.499 -14.748 823 HH21 ARG 104 1HH2 ARG 104 2.894 -8.406 -13.505 824 HH22 ARG 104 2HH2 ARG 104 3.645 -7.762 -14.938 825 H GLY 105 HN GLY 105 3.584 -2.088 -9.122 826 HA2 GLY 105 2HA GLY 105 3.150 0.022 -10.626 827 HA3 GLY 105 1HA GLY 105 2.002 -1.081 -11.366 828 H ALA 106 HN ALA 106 0.515 0.687 -10.683 829 HA ALA 106 HA ALA 106 -0.281 0.399 -7.861 830 HB1 ALA 106 1HB ALA 106 -1.398 2.559 -8.092 831 HB2 ALA 106 2HB ALA 106 -0.895 2.647 -9.781 832 HB3 ALA 106 3HB ALA 106 0.314 2.688 -8.497 833 H LEU 107 HN LEU 107 -2.630 0.419 -7.455 834 HA LEU 107 HA LEU 107 -4.118 -0.788 -9.690 835 HG LEU 107 HG LEU 107 -5.126 -3.816 -7.781 836 HB2 LEU 107 2HB LEU 107 -3.227 -2.379 -7.871 837 HB3 LEU 107 1HB LEU 107 -4.420 -1.652 -6.821 838 HD11 LEU 107 1HD1 LEU 107 -6.789 -1.453 -8.625 839 HD12 LEU 107 2HD1 LEU 107 -6.833 -2.268 -7.060 840 HD13 LEU 107 3HD1 LEU 107 -7.362 -3.118 -8.512 841 HD21 LEU 107 3HD2 LEU 107 -5.767 -3.931 -10.143 842 HD22 LEU 107 1HD2 LEU 107 -4.035 -3.660 -9.938 843 HD23 LEU 107 2HD2 LEU 107 -5.088 -2.321 -10.395 844 H SER 108 HN SER 108 -5.633 0.618 -10.210 845 HA SER 108 HA SER 108 -7.269 1.750 -8.035 846 HG SER 108 HG SER 108 -7.523 4.487 -8.450 847 HB2 SER 108 2HB SER 108 -5.848 3.453 -9.248 848 HB3 SER 108 1HB SER 108 -6.754 3.070 -10.709 849 H GLY 109 HN GLY 109 -9.372 1.240 -8.148 850 HA2 GLY 109 2HA GLY 109 -10.169 -0.608 -10.213 851 HA3 GLY 109 1HA GLY 109 -11.104 -0.149 -8.800 852 H ILE 110 HN ILE 110 -10.682 0.259 -12.144 853 HA ILE 110 HA ILE 110 -12.243 2.588 -12.548 854 HB ILE 110 HB ILE 110 -12.080 0.111 -14.290 855 HG12 ILE 110 2HG1 ILE 110 -9.873 1.105 -13.871 856 HG13 ILE 110 1HG1 ILE 110 -10.364 1.316 -15.547 857 HG21 ILE 110 1HG2 ILE 110 -12.982 2.912 -14.948 858 HG22 ILE 110 2HG2 ILE 110 -13.990 1.466 -14.889 859 HG23 ILE 110 3HG2 ILE 110 -12.741 1.620 -16.124 860 HD11 ILE 110 3HD1 ILE 110 -11.006 3.630 -15.050 861 HD12 ILE 110 1HD1 ILE 110 -9.304 3.317 -14.706 862 HD13 ILE 110 2HD1 ILE 110 -10.469 3.407 -13.385 863 H HIS 111 HN HIS 111 -12.981 -0.822 -12.164 864 HA HIS 111 HA HIS 111 -15.627 -0.052 -11.143 865 HD1 HIS 111 1HD HIS 111 -15.786 -2.417 -15.025 866 HD2 HIS 111 2HD HIS 111 -17.719 0.198 -12.415 867 HE1 HIS 111 1HE HIS 111 -17.438 -1.139 -16.429 868 HE2 HIS 111 2HE HIS 111 -18.575 0.456 -14.845 869 HB2 HIS 111 2HB HIS 111 -14.822 -2.490 -12.730 870 HB3 HIS 111 1HB HIS 111 -16.210 -2.531 -11.650 871 HA PRO 112 HA PRO 112 -14.188 -1.318 -7.186 872 HB2 PRO 112 2HB PRO 112 -16.843 -2.679 -6.984 873 HB3 PRO 112 1HB PRO 112 -16.050 -1.580 -5.846 874 HG2 PRO 112 2HG PRO 112 -18.009 -0.692 -7.382 875 HG3 PRO 112 1HG PRO 112 -16.569 0.306 -7.109 876 HD2 PRO 112 2HD PRO 112 -17.337 -1.295 -9.513 877 HD3 PRO 112 1HD PRO 112 -16.528 0.282 -9.418 878 H TRP 113 HN TRP 113 -15.660 -3.782 -9.281 879 HA TRP 113 HA TRP 113 -13.714 -5.701 -8.247 880 HD1 TRP 113 1HD TRP 113 -15.495 -9.167 -8.681 881 HE1 TRP 113 1HE TRP 113 -14.267 -10.667 -6.974 882 HE3 TRP 113 3HE TRP 113 -14.504 -5.657 -5.092 883 HZ2 TRP 113 2HZ TRP 113 -13.039 -10.375 -4.448 884 HZ3 TRP 113 3HZ TRP 113 -13.303 -6.353 -3.060 885 HH2 TRP 113 2HH TRP 113 -12.593 -8.665 -2.747 886 HB2 TRP 113 2HB TRP 113 -16.132 -5.763 -7.110 887 HB3 TRP 113 1HB TRP 113 -16.502 -6.717 -8.543 888 H ALA 114 HN ALA 114 -14.578 -7.942 -9.505 889 HA ALA 114 HA ALA 114 -14.862 -9.109 -11.406 890 HB1 ALA 114 1HB ALA 114 -16.006 -8.167 -13.301 891 HB2 ALA 114 2HB ALA 114 -15.756 -6.536 -12.683 892 HB3 ALA 114 3HB ALA 114 -16.802 -7.656 -11.811 893 H GLU 115 HN GLU 115 -14.035 -6.202 -13.219 894 HA GLU 115 HA GLU 115 -11.995 -7.581 -14.619 895 HB2 GLU 115 2HB GLU 115 -11.361 -5.144 -15.346 896 HB3 GLU 115 1HB GLU 115 -12.845 -5.890 -15.916 897 HG2 GLU 115 2HG GLU 115 -13.063 -4.361 -13.413 898 HG3 GLU 115 1HG GLU 115 -12.703 -3.426 -14.867 899 H LEU 116 HN LEU 116 -11.960 -5.773 -11.701 900 HA LEU 116 HA LEU 116 -9.290 -5.050 -11.451 901 HG LEU 116 HG LEU 116 -8.610 -4.529 -9.074 902 HB2 LEU 116 2HB LEU 116 -11.111 -4.520 -9.841 903 HB3 LEU 116 1HB LEU 116 -11.105 -6.185 -9.309 904 HD11 LEU 116 1HD1 LEU 116 -10.389 -3.200 -8.054 905 HD12 LEU 116 2HD1 LEU 116 -9.322 -3.873 -6.822 906 HD13 LEU 116 3HD1 LEU 116 -10.903 -4.598 -7.111 907 HD21 LEU 116 3HD2 LEU 116 -8.211 -6.024 -7.170 908 HD22 LEU 116 1HD2 LEU 116 -8.449 -6.932 -8.664 909 HD23 LEU 116 2HD2 LEU 116 -9.751 -6.829 -7.476 910 H LEU 117 HN LEU 117 -10.825 -8.164 -10.814 911 HA LEU 117 HA LEU 117 -8.493 -9.455 -9.872 912 HG LEU 117 HG LEU 117 -11.451 -11.419 -8.782 913 HB2 LEU 117 2HB LEU 117 -11.038 -10.545 -11.073 914 HB3 LEU 117 1HB LEU 117 -9.761 -11.566 -10.446 915 HD11 LEU 117 1HD1 LEU 117 -9.159 -9.616 -8.035 916 HD12 LEU 117 2HD1 LEU 117 -9.183 -11.378 -7.938 917 HD13 LEU 117 3HD1 LEU 117 -10.246 -10.423 -6.905 918 HD21 LEU 117 3HD2 LEU 117 -12.227 -9.306 -7.828 919 HD22 LEU 117 1HD2 LEU 117 -12.590 -9.412 -9.550 920 HD23 LEU 117 2HD2 LEU 117 -11.242 -8.420 -8.993 921 H THR 118 HN THR 118 -10.001 -9.227 -13.058 922 HA THR 118 HA THR 118 -8.325 -10.988 -14.433 923 HB THR 118 HB THR 118 -9.507 -8.480 -15.626 924 HG1 THR 118 1HG THR 118 -10.859 -10.974 -15.327 925 HG21 THR 118 3HG2 THR 118 -9.743 -9.889 -17.623 926 HG22 THR 118 1HG2 THR 118 -9.009 -11.240 -16.755 927 HG23 THR 118 2HG2 THR 118 -8.061 -9.793 -17.100 928 H LEU 119 HN LEU 119 -8.048 -7.464 -13.967 929 HA LEU 119 HA LEU 119 -5.606 -7.271 -15.424 930 HG LEU 119 HG LEU 119 -7.014 -3.879 -15.592 931 HB2 LEU 119 2HB LEU 119 -7.181 -5.422 -13.689 932 HB3 LEU 119 1HB LEU 119 -5.522 -5.007 -14.072 933 HD11 LEU 119 1HD1 LEU 119 -5.577 -6.142 -16.968 934 HD12 LEU 119 2HD1 LEU 119 -4.868 -4.604 -16.477 935 HD13 LEU 119 3HD1 LEU 119 -6.112 -4.643 -17.727 936 HD21 LEU 119 3HD2 LEU 119 -8.050 -6.625 -16.284 937 HD22 LEU 119 1HD2 LEU 119 -8.417 -5.152 -17.182 938 HD23 LEU 119 2HD2 LEU 119 -8.944 -5.318 -15.507 939 H MET 120 HN MET 120 -6.369 -7.260 -11.941 940 HA MET 120 HA MET 120 -3.749 -6.857 -11.033 941 HB2 MET 120 2HB MET 120 -6.114 -6.989 -9.798 942 HB3 MET 120 1HB MET 120 -5.543 -8.609 -9.428 943 HG2 MET 120 2HG MET 120 -4.078 -6.057 -8.787 944 HG3 MET 120 1HG MET 120 -5.052 -6.984 -7.651 945 HE1 MET 120 3HE MET 120 -1.503 -7.689 -6.269 946 HE2 MET 120 1HE MET 120 -3.150 -7.171 -5.902 947 HE3 MET 120 2HE MET 120 -2.115 -6.170 -6.922 948 H ARG 121 HN ARG 121 -5.431 -9.872 -11.875 949 HA ARG 121 HA ARG 121 -3.528 -11.657 -10.875 950 HE ARG 121 HE ARG 121 -7.449 -14.268 -9.654 951 HB2 ARG 121 2HB ARG 121 -5.718 -11.787 -12.876 952 HB3 ARG 121 1HB ARG 121 -4.543 -13.082 -12.866 953 HG2 ARG 121 2HG ARG 121 -5.020 -13.466 -10.481 954 HG3 ARG 121 1HG ARG 121 -6.255 -12.206 -10.558 955 HD2 ARG 121 2HD ARG 121 -7.513 -13.469 -12.167 956 HD3 ARG 121 1HD ARG 121 -6.229 -14.673 -12.286 957 HH11 ARG 121 1HH1 ARG 121 -7.214 -16.215 -12.569 958 HH12 ARG 121 2HH1 ARG 121 -7.953 -17.612 -11.853 959 HH21 ARG 121 1HH2 ARG 121 -8.389 -16.106 -8.700 960 HH22 ARG 121 2HH2 ARG 121 -8.608 -17.553 -9.645 961 H SER 122 HN SER 122 -3.744 -10.003 -13.980 962 HA SER 122 HA SER 122 -1.547 -11.352 -15.170 963 HG SER 122 HG SER 122 -1.292 -10.511 -17.450 964 HB2 SER 122 2HB SER 122 -3.276 -10.055 -16.439 965 HB3 SER 122 1HB SER 122 -2.570 -8.570 -15.803 966 H ILE 123 HN ILE 123 -1.862 -8.610 -13.035 967 HA ILE 123 HA ILE 123 0.752 -7.568 -13.315 968 HB ILE 123 HB ILE 123 -1.118 -7.426 -10.938 969 HG12 ILE 123 2HG1 ILE 123 -2.085 -6.458 -12.970 970 HG13 ILE 123 1HG1 ILE 123 -1.696 -5.197 -11.806 971 HG21 ILE 123 1HG2 ILE 123 1.203 -6.966 -10.316 972 HG22 ILE 123 2HG2 ILE 123 0.202 -5.517 -10.207 973 HG23 ILE 123 3HG2 ILE 123 1.296 -5.733 -11.574 974 HD11 ILE 123 3HD1 ILE 123 -1.107 -4.511 -14.051 975 HD12 ILE 123 1HD1 ILE 123 -0.075 -5.931 -14.232 976 HD13 ILE 123 2HD1 ILE 123 0.343 -4.683 -13.058 977 H VAL 124 HN VAL 124 -0.655 -10.049 -11.233 978 HA VAL 124 HA VAL 124 1.982 -10.572 -10.059 979 HB VAL 124 HB VAL 124 0.790 -12.080 -8.500 980 HG11 VAL 124 1HG1 VAL 124 -0.349 -10.323 -7.229 981 HG12 VAL 124 2HG1 VAL 124 -0.329 -9.285 -8.655 982 HG13 VAL 124 3HG1 VAL 124 1.187 -9.761 -7.891 983 HG21 VAL 124 3HG2 VAL 124 -1.074 -12.751 -9.895 984 HG22 VAL 124 1HG2 VAL 124 -1.685 -11.096 -9.923 985 HG23 VAL 124 2HG2 VAL 124 -1.678 -12.008 -8.414 986 H ASP 125 HN ASP 125 1.001 -11.319 -12.849 987 HA ASP 125 HA ASP 125 1.007 -14.218 -12.803 988 HB2 ASP 125 2HB ASP 125 -0.361 -12.958 -14.447 989 HB3 ASP 125 1HB ASP 125 1.115 -12.314 -15.158 990 H THR 126 HN THR 126 3.300 -11.769 -12.778 991 HA THR 126 HA THR 126 5.319 -12.932 -14.401 992 HB THR 126 HB THR 126 6.771 -11.346 -12.857 993 HG1 THR 126 1HG THR 126 5.379 -10.707 -11.310 994 HG21 THR 126 3HG2 THR 126 6.348 -10.972 -15.228 995 HG22 THR 126 1HG2 THR 126 6.170 -9.466 -14.329 996 HG23 THR 126 2HG2 THR 126 4.738 -10.351 -14.859 997 HA PRO 127 HA PRO 127 6.941 -16.071 -11.731 998 HB2 PRO 127 2HB PRO 127 9.567 -15.950 -12.543 999 HB3 PRO 127 1HB PRO 127 8.292 -16.805 -13.417 1000 HG2 PRO 127 2HG PRO 127 9.438 -14.087 -13.915 1001 HG3 PRO 127 1HG PRO 127 8.985 -15.344 -15.080 1002 HD2 PRO 127 2HD PRO 127 7.411 -13.219 -14.614 1003 HD3 PRO 127 1HD PRO 127 6.732 -14.824 -14.956 1004 H ALA 128 HN ALA 128 7.048 -15.567 -9.636 1005 HA ALA 128 HA ALA 128 9.101 -13.648 -8.765 1006 HB1 ALA 128 1HB ALA 128 6.513 -14.358 -7.386 1007 HB2 ALA 128 2HB ALA 128 6.817 -12.888 -8.311 1008 HB3 ALA 128 3HB ALA 128 7.708 -13.190 -6.821 1009 H ALA 129 HN ALA 129 10.665 -14.373 -7.521 1010 HA ALA 129 HA ALA 129 10.464 -16.473 -5.644 1011 HB1 ALA 129 1HB ALA 129 11.918 -17.185 -8.197 1012 HB2 ALA 129 2HB ALA 129 10.399 -17.892 -7.650 1013 HB3 ALA 129 3HB ALA 129 11.875 -18.150 -6.722 1014 H GLN 130 HN GLN 130 12.704 -14.993 -7.958 1015 HA GLN 130 HA GLN 130 13.928 -13.363 -6.035 1016 HB2 GLN 130 2HB GLN 130 16.241 -14.362 -6.144 1017 HB3 GLN 130 1HB GLN 130 15.079 -15.254 -5.176 1018 HG2 GLN 130 2HG GLN 130 14.796 -16.873 -6.957 1019 HG3 GLN 130 1HG GLN 130 15.892 -15.956 -7.991 1020 HE21 GLN 130 1HE2 GLN 130 18.086 -15.992 -7.583 1021 HE22 GLN 130 2HE2 GLN 130 18.814 -17.155 -6.519 1022 H GLU 131 HN GLU 131 13.553 -11.793 -7.570 1023 HA GLU 131 HA GLU 131 15.077 -12.007 -10.065 1024 HB2 GLU 131 2HB GLU 131 12.704 -11.152 -10.092 1025 HB3 GLU 131 1HB GLU 131 13.262 -9.750 -9.191 1026 HG2 GLU 131 2HG GLU 131 13.116 -9.151 -11.493 1027 HG3 GLU 131 1HG GLU 131 14.823 -9.241 -11.060 1028 H THR 132 HN THR 132 17.150 -11.866 -9.244 1029 HA THR 132 HA THR 132 17.890 -9.915 -7.300 1030 HB THR 132 HB THR 132 19.701 -11.607 -9.034 1031 HG1 THR 132 1HG THR 132 18.069 -12.192 -6.850 1032 HG21 THR 132 3HG2 THR 132 20.148 -10.316 -6.337 1033 HG22 THR 132 1HG2 THR 132 20.850 -9.778 -7.862 1034 HG23 THR 132 2HG2 THR 132 21.296 -11.347 -7.191 1035 H VAL 133 HN VAL 133 17.984 -10.075 -10.789 1036 HA VAL 133 HA VAL 133 19.735 -7.824 -11.087 1037 HB VAL 133 HB VAL 133 19.019 -7.871 -13.489 1038 HG11 VAL 133 1HG1 VAL 133 20.971 -9.097 -12.773 1039 HG12 VAL 133 2HG1 VAL 133 20.096 -10.038 -13.983 1040 HG13 VAL 133 3HG1 VAL 133 19.971 -10.461 -12.275 1041 HG21 VAL 133 3HG2 VAL 133 17.695 -9.768 -14.284 1042 HG22 VAL 133 1HG2 VAL 133 16.757 -8.755 -13.184 1043 HG23 VAL 133 2HG2 VAL 133 17.427 -10.285 -12.618 1044 H GLN 134 HN GLN 134 19.223 -5.769 -10.828 1045 HA GLN 134 HA GLN 134 16.456 -5.034 -10.441 1046 HB2 GLN 134 2HB GLN 134 17.456 -2.754 -9.938 1047 HB3 GLN 134 1HB GLN 134 17.908 -4.065 -8.860 1048 HG2 GLN 134 2HG GLN 134 20.014 -4.306 -10.202 1049 HG3 GLN 134 1HG GLN 134 19.564 -2.822 -11.038 1050 HE21 GLN 134 1HE2 GLN 134 20.556 -4.229 -8.024 1051 HE22 GLN 134 2HE2 GLN 134 21.017 -2.749 -7.255 1052 H LEU 135 HN LEU 135 15.537 -5.236 -12.436 1053 HA LEU 135 HA LEU 135 16.635 -3.655 -14.632 1054 HG LEU 135 HG LEU 135 16.657 -6.731 -14.339 1055 HB2 LEU 135 2HB LEU 135 14.423 -5.705 -14.583 1056 HB3 LEU 135 1HB LEU 135 14.979 -4.867 -16.018 1057 HD11 LEU 135 1HD1 LEU 135 14.896 -7.912 -15.535 1058 HD12 LEU 135 2HD1 LEU 135 16.478 -8.260 -16.231 1059 HD13 LEU 135 3HD1 LEU 135 15.387 -7.136 -17.041 1060 HD21 LEU 135 3HD2 LEU 135 18.257 -6.579 -16.197 1061 HD22 LEU 135 1HD2 LEU 135 18.007 -5.021 -15.410 1062 HD23 LEU 135 2HD2 LEU 135 17.239 -5.358 -16.960 1063 H GLU 136 HN GLU 136 16.037 -1.602 -14.411 1064 HA GLU 136 HA GLU 136 13.308 -0.889 -13.738 1065 HB2 GLU 136 2HB GLU 136 14.159 1.462 -14.139 1066 HB3 GLU 136 1HB GLU 136 14.961 0.580 -12.845 1067 HG2 GLU 136 2HG GLU 136 16.918 0.355 -14.019 1068 HG3 GLU 136 1HG GLU 136 16.119 0.507 -15.583 1069 H HIS 137 HN HIS 137 12.421 0.981 -15.242 1070 HA HIS 137 HA HIS 137 12.416 -0.110 -17.966 1071 HD1 HIS 137 1HD HIS 137 10.895 -0.543 -19.637 1072 HD2 HIS 137 2HD HIS 137 8.704 2.820 -18.524 1073 HE1 HIS 137 1HE HIS 137 9.535 0.087 -21.657 1074 HE2 HIS 137 2HE HIS 137 8.248 2.149 -20.983 1075 HB2 HIS 137 2HB HIS 137 10.238 0.147 -16.741 1076 HB3 HIS 137 1HB HIS 137 10.502 1.886 -16.719 1077 H HIS 138 HN HIS 138 14.403 1.705 -16.597 1078 HA HIS 138 HA HIS 138 15.885 3.273 -17.251 1079 HD1 HIS 138 1HD HIS 138 17.605 3.455 -20.718 1080 HD2 HIS 138 2HD HIS 138 15.329 0.430 -18.989 1081 HE1 HIS 138 1HE HIS 138 18.838 1.319 -21.193 1082 HE2 HIS 138 2HE HIS 138 17.545 -0.470 -19.977 1083 HB2 HIS 138 2HB HIS 138 14.250 3.261 -19.778 1084 HB3 HIS 138 1HB HIS 138 15.610 4.357 -19.548 1085 H HIS 139 HN HIS 139 12.479 4.075 -17.505 1086 HA HIS 139 HA HIS 139 12.830 6.828 -16.868 1087 HD1 HIS 139 1HD HIS 139 9.030 5.927 -14.594 1088 HD2 HIS 139 2HD HIS 139 10.802 8.906 -16.902 1089 HE1 HIS 139 1HE HIS 139 8.106 8.100 -13.726 1090 HE2 HIS 139 2HE HIS 139 9.250 9.895 -15.073 1091 HB2 HIS 139 2HB HIS 139 10.697 6.018 -17.762 1092 HB3 HIS 139 1HB HIS 139 10.481 4.979 -16.357 1093 H HIS 140 HN HIS 140 13.894 7.437 -15.112 1094 HA HIS 140 HA HIS 140 14.157 5.623 -12.867 1095 HD1 HIS 140 1HD HIS 140 16.554 4.848 -13.720 1096 HD2 HIS 140 2HD HIS 140 17.008 8.752 -15.103 1097 HE1 HIS 140 1HE HIS 140 18.277 4.733 -15.545 1098 HE2 HIS 140 2HE HIS 140 18.626 7.115 -16.281 1099 HB2 HIS 140 2HB HIS 140 15.287 8.417 -13.093 1100 HB3 HIS 140 1HB HIS 140 15.833 7.120 -12.037 1101 H HIS 141 HN HIS 141 13.895 6.416 -10.635 1102 HA HIS 141 HA HIS 141 11.354 7.691 -10.246 1103 HD1 HIS 141 1HD HIS 141 10.156 5.832 -7.507 1104 HD2 HIS 141 2HD HIS 141 13.473 4.370 -9.537 1105 HE1 HIS 141 1HE HIS 141 9.790 3.351 -7.703 1106 HE2 HIS 141 2HE HIS 141 11.950 2.472 -8.668 1107 HB2 HIS 141 2HB HIS 141 13.518 6.982 -8.249 1108 HB3 HIS 141 1HB HIS 141 11.916 7.565 -7.823 1109 H HIS 142 HN HIS 142 11.148 9.832 -10.588 1110 HA HIS 142 HA HIS 142 13.315 11.650 -10.125 1111 HD1 HIS 142 1HD HIS 142 10.564 14.655 -9.389 1112 HD2 HIS 142 2HD HIS 142 8.670 11.216 -10.762 1113 HE1 HIS 142 1HE HIS 142 8.170 14.868 -8.664 1114 HE2 HIS 142 2HE HIS 142 7.101 12.687 -9.310 1115 HB2 HIS 142 2HB HIS 142 11.973 13.311 -11.007 1116 HB3 HIS 142 1HB HIS 142 11.257 11.894 -11.754 Start of MODEL 15 1 HA MET 1 HA MET 1 -25.349 17.307 10.798 2 H1 MET 1 1HT MET 1 -27.273 18.503 11.567 3 H2 MET 1 2HT MET 1 -26.375 19.208 12.826 4 H3 MET 1 3HT MET 1 -26.648 17.533 12.810 5 HB2 MET 1 2HB MET 1 -24.796 20.251 11.228 6 HB3 MET 1 1HB MET 1 -23.965 19.228 10.067 7 HG2 MET 1 2HG MET 1 -26.106 18.850 8.914 8 HG3 MET 1 1HG MET 1 -26.885 19.946 10.054 9 HE1 MET 1 3HE MET 1 -25.097 23.340 9.256 10 HE2 MET 1 1HE MET 1 -24.518 22.140 10.412 11 HE3 MET 1 2HE MET 1 -26.240 22.499 10.302 12 H ALA 2 HN ALA 2 -23.263 16.588 11.106 13 HA ALA 2 HA ALA 2 -22.309 16.749 13.840 14 HB1 ALA 2 1HB ALA 2 -22.335 14.585 12.700 15 HB2 ALA 2 2HB ALA 2 -20.700 15.042 13.180 16 HB3 ALA 2 3HB ALA 2 -21.203 15.203 11.497 17 H ASN 3 HN ASN 3 -21.624 18.870 14.016 18 HA ASN 3 HA ASN 3 -19.546 19.864 12.245 19 HB2 ASN 3 2HB ASN 3 -19.674 21.918 13.638 20 HB3 ASN 3 1HB ASN 3 -21.238 21.450 12.983 21 HD21 ASN 3 1HD2 ASN 3 -20.402 23.048 15.373 22 HD22 ASN 3 2HD2 ASN 3 -21.265 22.325 16.690 23 H ASP 4 HN ASP 4 -19.447 17.651 14.453 24 HA ASP 4 HA ASP 4 -16.766 18.305 15.369 25 HB2 ASP 4 2HB ASP 4 -18.039 19.123 17.214 26 HB3 ASP 4 1HB ASP 4 -19.123 17.739 17.168 27 H THR 5 HN THR 5 -15.480 16.527 15.333 28 HA THR 5 HA THR 5 -16.777 13.987 14.680 29 HB THR 5 HB THR 5 -15.083 14.682 13.085 30 HG1 THR 5 1HG THR 5 -13.812 12.616 14.540 31 HG21 THR 5 3HG2 THR 5 -12.743 14.928 13.675 32 HG22 THR 5 1HG2 THR 5 -13.114 14.612 15.370 33 HG23 THR 5 2HG2 THR 5 -13.723 16.072 14.591 34 HA PRO 6 HA PRO 6 -15.895 12.645 18.809 35 HB2 PRO 6 2HB PRO 6 -16.764 9.996 18.053 36 HB3 PRO 6 1HB PRO 6 -17.609 11.189 19.041 37 HG2 PRO 6 2HG PRO 6 -18.424 10.408 16.539 38 HG3 PRO 6 1HG PRO 6 -18.820 11.972 17.272 39 HD2 PRO 6 2HD PRO 6 -16.737 11.301 15.236 40 HD3 PRO 6 1HD PRO 6 -17.775 12.738 15.362 41 H PHE 7 HN PHE 7 -13.587 12.852 18.353 42 HA PHE 7 HA PHE 7 -11.484 12.020 18.626 43 HD1 PHE 7 2HD PHE 7 -10.905 11.658 20.925 44 HD2 PHE 7 1HD PHE 7 -10.585 7.883 18.990 45 HE1 PHE 7 2HE PHE 7 -8.795 11.232 22.116 46 HE2 PHE 7 1HE PHE 7 -8.477 7.448 20.180 47 HZ PHE 7 HZ PHE 7 -7.577 9.124 21.747 48 HB2 PHE 7 2HB PHE 7 -12.945 10.198 19.910 49 HB3 PHE 7 1HB PHE 7 -12.418 9.181 18.577 50 H SER 8 HN SER 8 -9.823 10.590 17.442 51 HA SER 8 HA SER 8 -10.449 10.636 14.603 52 HG SER 8 HG SER 8 -8.501 10.916 13.368 53 HB2 SER 8 2HB SER 8 -8.241 11.437 15.625 54 HB3 SER 8 1HB SER 8 -7.856 9.735 15.876 55 H ALA 9 HN ALA 9 -11.973 8.797 15.998 56 HA ALA 9 HA ALA 9 -10.984 6.221 16.308 57 HB1 ALA 9 1HB ALA 9 -13.149 6.970 17.170 58 HB2 ALA 9 2HB ALA 9 -13.298 5.479 16.239 59 HB3 ALA 9 3HB ALA 9 -13.784 7.017 15.525 60 H LEU 10 HN LEU 10 -12.319 7.775 13.437 61 HA LEU 10 HA LEU 10 -12.618 5.572 11.768 62 HG LEU 10 HG LEU 10 -13.855 8.485 12.196 63 HB2 LEU 10 2HB LEU 10 -11.728 8.347 10.973 64 HB3 LEU 10 1HB LEU 10 -12.420 7.145 9.904 65 HD11 LEU 10 1HD1 LEU 10 -15.152 9.580 10.446 66 HD12 LEU 10 2HD1 LEU 10 -14.155 8.806 9.215 67 HD13 LEU 10 3HD1 LEU 10 -13.442 9.985 10.315 68 HD21 LEU 10 3HD2 LEU 10 -15.847 7.380 11.307 69 HD22 LEU 10 1HD2 LEU 10 -14.643 6.209 11.847 70 HD23 LEU 10 2HD2 LEU 10 -14.848 6.533 10.125 71 H TRP 11 HN TRP 11 -9.779 7.588 12.327 72 HA TRP 11 HA TRP 11 -8.170 6.115 10.435 73 HD1 TRP 11 1HD TRP 11 -5.289 8.342 13.278 74 HE1 TRP 11 1HE TRP 11 -2.936 7.902 12.354 75 HE3 TRP 11 3HE TRP 11 -6.538 6.883 8.532 76 HZ2 TRP 11 2HZ TRP 11 -1.757 7.042 9.935 77 HZ3 TRP 11 3HZ TRP 11 -4.732 6.266 6.978 78 HH2 TRP 11 2HH TRP 11 -2.391 6.344 7.668 79 HB2 TRP 11 2HB TRP 11 -7.760 8.452 10.554 80 HB3 TRP 11 1HB TRP 11 -7.648 8.423 12.308 81 H GLN 12 HN GLN 12 -8.169 6.659 13.931 82 HA GLN 12 HA GLN 12 -6.007 5.165 14.705 83 HB2 GLN 12 2HB GLN 12 -7.348 6.606 16.190 84 HB3 GLN 12 1HB GLN 12 -8.634 5.409 16.179 85 HG2 GLN 12 2HG GLN 12 -7.128 3.796 17.234 86 HG3 GLN 12 1HG GLN 12 -5.854 5.015 17.264 87 HE21 GLN 12 1HE2 GLN 12 -8.881 3.987 18.633 88 HE22 GLN 12 2HE2 GLN 12 -8.857 5.055 19.991 89 H ARG 13 HN ARG 13 -9.307 3.929 14.101 90 HA ARG 13 HA ARG 13 -8.768 1.383 15.212 91 HE ARG 13 HE ARG 13 -12.772 2.967 10.973 92 HB2 ARG 13 2HB ARG 13 -10.853 0.637 14.199 93 HB3 ARG 13 1HB ARG 13 -11.048 2.184 15.006 94 HG2 ARG 13 2HG ARG 13 -10.934 3.311 12.820 95 HG3 ARG 13 1HG ARG 13 -10.815 1.731 12.038 96 HD2 ARG 13 2HD ARG 13 -12.980 1.098 12.933 97 HD3 ARG 13 1HD ARG 13 -13.093 2.625 13.804 98 HH11 ARG 13 1HH1 ARG 13 -15.093 2.368 13.533 99 HH12 ARG 13 2HH1 ARG 13 -16.433 3.029 12.641 100 HH21 ARG 13 1HH2 ARG 13 -14.532 3.802 9.795 101 HH22 ARG 13 2HH2 ARG 13 -16.118 3.825 10.511 102 H LEU 14 HN LEU 14 -8.224 2.687 12.016 103 HA LEU 14 HA LEU 14 -7.751 0.154 10.779 104 HG LEU 14 HG LEU 14 -8.295 2.379 7.910 105 HB2 LEU 14 2HB LEU 14 -7.220 2.994 10.037 106 HB3 LEU 14 1HB LEU 14 -6.350 1.737 9.183 107 HD11 LEU 14 1HD1 LEU 14 -9.369 0.219 7.643 108 HD12 LEU 14 2HD1 LEU 14 -8.729 -0.309 9.200 109 HD13 LEU 14 3HD1 LEU 14 -7.629 0.027 7.862 110 HD21 LEU 14 3HD2 LEU 14 -9.676 3.267 9.706 111 HD22 LEU 14 1HD2 LEU 14 -9.909 1.641 10.350 112 HD23 LEU 14 2HD2 LEU 14 -10.566 2.068 8.770 113 H LEU 15 HN LEU 15 -5.743 2.564 12.391 114 HA LEU 15 HA LEU 15 -3.267 1.257 12.048 115 HG LEU 15 HG LEU 15 -4.258 4.281 12.259 116 HB2 LEU 15 2HB LEU 15 -4.208 3.002 14.326 117 HB3 LEU 15 1HB LEU 15 -2.543 2.544 14.031 118 HD11 LEU 15 1HD1 LEU 15 -1.842 4.907 13.948 119 HD12 LEU 15 2HD1 LEU 15 -3.507 5.370 14.307 120 HD13 LEU 15 3HD1 LEU 15 -2.690 6.035 12.891 121 HD21 LEU 15 3HD2 LEU 15 -2.226 4.600 10.934 122 HD22 LEU 15 1HD2 LEU 15 -2.742 2.914 10.926 123 HD23 LEU 15 2HD2 LEU 15 -1.385 3.416 11.935 124 H THR 16 HN THR 16 -5.886 0.908 14.328 125 HA THR 16 HA THR 16 -4.568 -0.787 16.175 126 HB THR 16 HB THR 16 -7.539 -0.586 15.625 127 HG1 THR 16 1HG THR 16 -6.030 1.365 16.298 128 HG21 THR 16 3HG2 THR 16 -6.949 -2.488 17.037 129 HG22 THR 16 1HG2 THR 16 -7.756 -1.239 17.987 130 HG23 THR 16 2HG2 THR 16 -6.007 -1.430 18.086 131 H ARG 17 HN ARG 17 -6.172 -1.362 13.119 132 HA ARG 17 HA ARG 17 -6.547 -4.162 13.469 133 HE ARG 17 HE ARG 17 -7.060 -6.237 8.692 134 HB2 ARG 17 2HB ARG 17 -7.809 -2.914 11.761 135 HB3 ARG 17 1HB ARG 17 -6.314 -2.586 10.892 136 HG2 ARG 17 2HG ARG 17 -5.999 -4.960 10.496 137 HG3 ARG 17 1HG ARG 17 -7.458 -5.320 11.416 138 HD2 ARG 17 2HD ARG 17 -8.806 -4.127 9.770 139 HD3 ARG 17 1HD ARG 17 -7.348 -3.717 8.861 140 HH11 ARG 17 1HH1 ARG 17 -10.178 -4.646 8.771 141 HH12 ARG 17 2HH1 ARG 17 -11.009 -5.969 8.018 142 HH21 ARG 17 1HH2 ARG 17 -8.162 -7.982 7.719 143 HH22 ARG 17 2HH2 ARG 17 -9.873 -7.856 7.426 144 H GLY 18 HN GLY 18 -3.853 -2.178 12.581 145 HA2 GLY 18 2HA GLY 18 -1.664 -3.184 12.975 146 HA3 GLY 18 1HA GLY 18 -2.274 -4.645 12.211 147 H TRP 19 HN TRP 19 -3.184 -1.665 10.773 148 HA TRP 19 HA TRP 19 -1.579 -2.211 8.432 149 HD1 TRP 19 1HD TRP 19 -3.642 -3.536 8.734 150 HE1 TRP 19 1HE TRP 19 -5.595 -4.434 7.315 151 HE3 TRP 19 3HE TRP 19 -4.979 0.797 6.384 152 HZ2 TRP 19 2HZ TRP 19 -7.460 -3.420 5.444 153 HZ3 TRP 19 3HZ TRP 19 -6.851 0.753 4.794 154 HH2 TRP 19 2HH TRP 19 -8.060 -1.312 4.330 155 HB2 TRP 19 2HB TRP 19 -3.610 -0.080 9.096 156 HB3 TRP 19 1HB TRP 19 -2.714 -0.099 7.582 157 H GLN 20 HN GLN 20 0.196 -1.111 7.761 158 HA GLN 20 HA GLN 20 1.491 0.530 9.762 159 HB2 GLN 20 2HB GLN 20 2.427 -0.757 7.208 160 HB3 GLN 20 1HB GLN 20 3.426 0.342 8.130 161 HG2 GLN 20 2HG GLN 20 4.104 -1.783 8.802 162 HG3 GLN 20 1HG GLN 20 3.066 -1.210 10.104 163 HE21 GLN 20 1HE2 GLN 20 2.546 -3.232 10.832 164 HE22 GLN 20 2HE2 GLN 20 1.528 -4.314 9.942 165 HA PRO 21 HA PRO 21 0.627 4.240 7.340 166 HB2 PRO 21 2HB PRO 21 1.609 5.972 9.181 167 HB3 PRO 21 1HB PRO 21 -0.014 5.281 9.299 168 HG2 PRO 21 2HG PRO 21 2.490 4.504 10.731 169 HG3 PRO 21 1HG PRO 21 0.829 4.591 11.343 170 HD2 PRO 21 2HD PRO 21 2.070 2.259 10.611 171 HD3 PRO 21 1HD PRO 21 0.311 2.496 10.574 172 H VAL 22 HN VAL 22 2.081 4.203 5.700 173 HA VAL 22 HA VAL 22 4.908 4.003 6.288 174 HB VAL 22 HB VAL 22 5.166 4.006 3.770 175 HG11 VAL 22 1HG1 VAL 22 4.339 1.701 3.547 176 HG12 VAL 22 2HG1 VAL 22 3.434 1.892 5.049 177 HG13 VAL 22 3HG1 VAL 22 5.197 1.960 5.065 178 HG21 VAL 22 3HG2 VAL 22 3.109 5.139 3.179 179 HG22 VAL 22 1HG2 VAL 22 2.155 3.844 3.903 180 HG23 VAL 22 2HG2 VAL 22 3.130 3.526 2.466 181 H GLU 23 HN GLU 23 6.463 5.374 5.194 182 HA GLU 23 HA GLU 23 5.573 8.176 5.198 183 HB2 GLU 23 2HB GLU 23 8.262 7.033 5.989 184 HB3 GLU 23 1HB GLU 23 7.827 8.738 6.008 185 HG2 GLU 23 2HG GLU 23 6.194 8.353 7.729 186 HG3 GLU 23 1HG GLU 23 6.470 6.614 7.649 187 H ALA 24 HN ALA 24 7.698 9.427 4.104 188 HA ALA 24 HA ALA 24 7.398 8.563 1.348 189 HB1 ALA 24 1HB ALA 24 7.006 10.900 1.895 190 HB2 ALA 24 2HB ALA 24 8.368 10.736 0.786 191 HB3 ALA 24 3HB ALA 24 8.657 11.047 2.497 192 H SER 25 HN SER 25 10.054 9.316 3.592 193 HA SER 25 HA SER 25 12.035 8.709 1.613 194 HG SER 25 HG SER 25 14.109 8.931 2.369 195 HB2 SER 25 2HB SER 25 12.324 10.415 3.430 196 HB3 SER 25 1HB SER 25 12.436 9.089 4.587 197 H THR 26 HN THR 26 10.606 6.953 4.327 198 HA THR 26 HA THR 26 12.550 4.797 3.879 199 HB THR 26 HB THR 26 12.487 5.694 6.169 200 HG1 THR 26 1HG THR 26 11.601 3.019 5.765 201 HG21 THR 26 3HG2 THR 26 10.139 6.358 6.261 202 HG22 THR 26 1HG2 THR 26 10.546 5.292 7.604 203 HG23 THR 26 2HG2 THR 26 9.648 4.664 6.221 204 H VAL 27 HN VAL 27 9.943 5.381 2.385 205 HA VAL 27 HA VAL 27 8.081 3.357 3.058 206 HB VAL 27 HB VAL 27 7.469 5.296 1.692 207 HG11 VAL 27 1HG1 VAL 27 8.031 5.367 -0.699 208 HG12 VAL 27 2HG1 VAL 27 9.112 3.992 -0.473 209 HG13 VAL 27 3HG1 VAL 27 9.456 5.526 0.328 210 HG21 VAL 27 3HG2 VAL 27 7.026 2.654 0.305 211 HG22 VAL 27 1HG2 VAL 27 6.062 4.113 0.070 212 HG23 VAL 27 2HG2 VAL 27 6.073 3.304 1.638 213 H ASP 28 HN ASP 28 10.877 3.391 0.886 214 HA ASP 28 HA ASP 28 10.245 0.848 -0.270 215 HB2 ASP 28 2HB ASP 28 12.306 1.019 -1.464 216 HB3 ASP 28 1HB ASP 28 11.605 2.630 -1.426 217 H ASP 29 HN ASP 29 11.949 1.917 2.548 218 HA ASP 29 HA ASP 29 13.512 -0.407 2.968 219 HB2 ASP 29 2HB ASP 29 13.943 1.687 4.200 220 HB3 ASP 29 1HB ASP 29 12.401 1.507 5.034 221 H TRP 30 HN TRP 30 10.283 0.563 4.043 222 HA TRP 30 HA TRP 30 9.656 -1.739 5.513 223 HD1 TRP 30 1HD TRP 30 7.242 -1.479 7.387 224 HE1 TRP 30 1HE TRP 30 5.078 -2.870 7.319 225 HE3 TRP 30 3HE TRP 30 6.232 -1.170 2.379 226 HZ2 TRP 30 2HZ TRP 30 3.194 -3.716 5.403 227 HZ3 TRP 30 3HZ TRP 30 4.225 -2.303 1.513 228 HH2 TRP 30 2HH TRP 30 2.739 -3.549 2.996 229 HB2 TRP 30 2HB TRP 30 8.274 0.284 5.593 230 HB3 TRP 30 1HB TRP 30 7.819 0.058 3.909 231 H ILE 31 HN ILE 31 9.191 -0.961 2.097 232 HA ILE 31 HA ILE 31 7.913 -3.310 1.286 233 HB ILE 31 HB ILE 31 9.816 -1.584 -0.305 234 HG12 ILE 31 2HG1 ILE 31 6.796 -1.486 -0.186 235 HG13 ILE 31 1HG1 ILE 31 7.842 -0.423 0.750 236 HG21 ILE 31 1HG2 ILE 31 8.622 -2.468 -2.265 237 HG22 ILE 31 2HG2 ILE 31 7.715 -3.550 -1.207 238 HG23 ILE 31 3HG2 ILE 31 9.463 -3.736 -1.372 239 HD11 ILE 31 3HD1 ILE 31 7.708 -0.588 -2.249 240 HD12 ILE 31 1HD1 ILE 31 8.777 0.467 -1.324 241 HD13 ILE 31 2HD1 ILE 31 7.028 0.687 -1.236 242 H LYS 32 HN LYS 32 11.364 -2.518 1.468 243 HA LYS 32 HA LYS 32 12.317 -4.973 0.438 244 HB2 LYS 32 2HB LYS 32 13.563 -2.741 0.765 245 HB3 LYS 32 1HB LYS 32 13.793 -3.252 2.428 246 HG2 LYS 32 2HG LYS 32 14.654 -4.994 0.151 247 HG3 LYS 32 1HG LYS 32 15.667 -3.675 0.721 248 HD2 LYS 32 2HD LYS 32 14.620 -5.807 2.555 249 HD3 LYS 32 1HD LYS 32 16.129 -5.989 1.668 250 HE2 LYS 32 2HE LYS 32 16.809 -5.176 3.742 251 HE3 LYS 32 1HE LYS 32 16.783 -3.739 2.724 252 HZ1 LYS 32 3HZ LYS 32 15.788 -3.345 4.897 253 HZ2 LYS 32 1HZ LYS 32 14.635 -4.556 4.609 254 HZ3 LYS 32 2HZ LYS 32 14.647 -3.148 3.663 255 H ARG 33 HN ARG 33 11.275 -3.943 3.585 256 HA ARG 33 HA ARG 33 12.510 -6.061 5.058 257 HE ARG 33 HE ARG 33 10.173 -7.598 7.186 258 HB2 ARG 33 2HB ARG 33 11.690 -3.665 5.775 259 HB3 ARG 33 1HB ARG 33 10.167 -4.487 6.061 260 HG2 ARG 33 2HG ARG 33 12.601 -5.672 7.255 261 HG3 ARG 33 1HG ARG 33 12.012 -4.160 7.937 262 HD2 ARG 33 2HD ARG 33 10.853 -5.645 9.223 263 HD3 ARG 33 1HD ARG 33 9.711 -5.448 7.902 264 HH11 ARG 33 1HH1 ARG 33 12.385 -6.697 9.758 265 HH12 ARG 33 2HH1 ARG 33 12.806 -8.344 10.132 266 HH21 ARG 33 1HH2 ARG 33 10.723 -9.764 7.687 267 HH22 ARG 33 2HH2 ARG 33 11.864 -10.078 8.967 268 H VAL 34 HN VAL 34 9.198 -5.392 3.940 269 HA VAL 34 HA VAL 34 8.274 -7.930 4.993 270 HB VAL 34 HB VAL 34 6.066 -7.298 4.181 271 HG11 VAL 34 1HG1 VAL 34 5.758 -5.256 5.525 272 HG12 VAL 34 2HG1 VAL 34 7.510 -5.060 5.596 273 HG13 VAL 34 3HG1 VAL 34 6.747 -6.466 6.342 274 HG21 VAL 34 3HG2 VAL 34 5.691 -5.115 3.104 275 HG22 VAL 34 1HG2 VAL 34 6.661 -6.196 2.101 276 HG23 VAL 34 2HG2 VAL 34 7.435 -4.885 2.991 277 H GLY 35 HN GLY 35 9.151 -6.584 1.893 278 HA2 GLY 35 2HA GLY 35 9.786 -7.774 0.003 279 HA3 GLY 35 1HA GLY 35 9.158 -9.240 0.738 280 H ASP 36 HN ASP 36 6.618 -8.750 1.241 281 HA ASP 36 HA ASP 36 5.457 -8.017 -1.355 282 HB2 ASP 36 2HB ASP 36 4.612 -10.335 0.394 283 HB3 ASP 36 1HB ASP 36 3.961 -9.911 -1.177 284 H GLY 37 HN GLY 37 3.783 -6.640 -1.239 285 HA2 GLY 37 2HA GLY 37 1.803 -6.565 0.721 286 HA3 GLY 37 1HA GLY 37 3.066 -5.456 1.235 287 H VAL 38 HN VAL 38 0.771 -4.271 0.879 288 HA VAL 38 HA VAL 38 1.071 -2.895 -1.700 289 HB VAL 38 HB VAL 38 -1.391 -2.606 -1.826 290 HG11 VAL 38 1HG1 VAL 38 -1.883 -4.874 -2.633 291 HG12 VAL 38 2HG1 VAL 38 -0.420 -5.460 -1.841 292 HG13 VAL 38 3HG1 VAL 38 -0.302 -4.306 -3.168 293 HG21 VAL 38 3HG2 VAL 38 -2.843 -4.090 -0.517 294 HG22 VAL 38 1HG2 VAL 38 -1.954 -2.971 0.516 295 HG23 VAL 38 2HG2 VAL 38 -1.441 -4.654 0.393 296 H ILE 39 HN ILE 39 0.749 -0.705 -1.682 297 HA ILE 39 HA ILE 39 0.276 0.530 0.950 298 HB ILE 39 HB ILE 39 1.845 1.576 -1.419 299 HG12 ILE 39 2HG1 ILE 39 3.610 1.854 0.454 300 HG13 ILE 39 1HG1 ILE 39 2.582 0.781 1.395 301 HG21 ILE 39 1HG2 ILE 39 2.212 3.634 -0.144 302 HG22 ILE 39 2HG2 ILE 39 1.108 3.059 1.103 303 HG23 ILE 39 3HG2 ILE 39 0.507 3.395 -0.519 304 HD11 ILE 39 3HD1 ILE 39 4.410 -0.417 0.329 305 HD12 ILE 39 1HD1 ILE 39 3.840 0.112 -1.255 306 HD13 ILE 39 2HD1 ILE 39 2.846 -0.964 -0.273 307 H LEU 40 HN LEU 40 -1.550 1.654 1.201 308 HA LEU 40 HA LEU 40 -3.174 2.271 -1.163 309 HG LEU 40 HG LEU 40 -3.697 0.066 1.136 310 HB2 LEU 40 2HB LEU 40 -3.867 2.402 1.775 311 HB3 LEU 40 1HB LEU 40 -4.979 2.715 0.460 312 HD11 LEU 40 1HD1 LEU 40 -6.547 1.025 1.286 313 HD12 LEU 40 2HD1 LEU 40 -5.476 0.705 2.650 314 HD13 LEU 40 3HD1 LEU 40 -5.996 -0.619 1.607 315 HD21 LEU 40 3HD2 LEU 40 -3.914 0.315 -1.282 316 HD22 LEU 40 1HD2 LEU 40 -5.607 0.774 -1.091 317 HD23 LEU 40 2HD2 LEU 40 -5.080 -0.854 -0.664 318 H LEU 41 HN LEU 41 -3.366 4.296 -1.927 319 HA LEU 41 HA LEU 41 -2.318 6.517 -0.333 320 HG LEU 41 HG LEU 41 -1.118 5.198 -2.931 321 HB2 LEU 41 2HB LEU 41 -3.227 6.429 -3.213 322 HB3 LEU 41 1HB LEU 41 -2.522 7.821 -2.415 323 HD11 LEU 41 1HD1 LEU 41 0.221 6.511 -4.515 324 HD12 LEU 41 2HD1 LEU 41 -0.825 7.901 -4.232 325 HD13 LEU 41 3HD1 LEU 41 -1.479 6.443 -4.977 326 HD21 LEU 41 3HD2 LEU 41 -0.345 6.300 -0.886 327 HD22 LEU 41 1HD2 LEU 41 -0.071 7.787 -1.792 328 HD23 LEU 41 2HD2 LEU 41 0.883 6.348 -2.151 329 H SER 42 HN SER 42 -3.584 8.532 -0.226 330 HA SER 42 HA SER 42 -6.231 8.162 0.651 331 HG SER 42 HG SER 42 -7.032 11.188 0.089 332 HB2 SER 42 2HB SER 42 -4.759 10.069 1.310 333 HB3 SER 42 1HB SER 42 -4.945 10.733 -0.312 334 H SER 43 HN SER 43 -7.748 7.389 -0.694 335 HA SER 43 HA SER 43 -7.521 7.756 -3.526 336 HG SER 43 HG SER 43 -7.216 5.721 -2.003 337 HB2 SER 43 2HB SER 43 -9.696 6.373 -1.948 338 HB3 SER 43 1HB SER 43 -9.376 6.200 -3.674 339 H ASP 44 HN ASP 44 -9.444 9.199 -1.000 340 HA ASP 44 HA ASP 44 -11.321 10.312 -2.922 341 HB2 ASP 44 2HB ASP 44 -12.470 11.239 -0.951 342 HB3 ASP 44 1HB ASP 44 -12.225 9.503 -0.805 343 HA PRO 45 HA PRO 45 -8.675 13.888 -3.324 344 HB2 PRO 45 2HB PRO 45 -10.718 14.896 -5.146 345 HB3 PRO 45 1HB PRO 45 -9.067 14.386 -5.505 346 HG2 PRO 45 2HG PRO 45 -11.246 12.993 -6.321 347 HG3 PRO 45 1HG PRO 45 -9.691 12.223 -5.954 348 HD2 PRO 45 2HD PRO 45 -12.165 12.401 -4.270 349 HD3 PRO 45 1HD PRO 45 -11.062 11.027 -4.513 350 H ARG 46 HN ARG 46 -12.122 14.687 -3.702 351 HA ARG 46 HA ARG 46 -11.834 16.696 -1.563 352 HE ARG 46 HE ARG 46 -11.325 18.910 -6.221 353 HB2 ARG 46 2HB ARG 46 -14.015 16.555 -3.652 354 HB3 ARG 46 1HB ARG 46 -13.655 17.893 -2.572 355 HG2 ARG 46 2HG ARG 46 -11.631 18.382 -3.737 356 HG3 ARG 46 1HG ARG 46 -11.786 16.921 -4.715 357 HD2 ARG 46 2HD ARG 46 -13.877 17.818 -5.666 358 HD3 ARG 46 1HD ARG 46 -13.640 19.298 -4.739 359 HH11 ARG 46 1HH1 ARG 46 -14.736 19.380 -6.888 360 HH12 ARG 46 2HH1 ARG 46 -14.457 20.241 -8.367 361 HH21 ARG 46 1HH2 ARG 46 -10.960 20.043 -8.160 362 HH22 ARG 46 2HH2 ARG 46 -12.304 20.646 -9.085 363 H ARG 47 HN ARG 47 -13.977 14.283 -2.975 364 HA ARG 47 HA ARG 47 -14.726 13.380 -0.316 365 HE ARG 47 HE ARG 47 -17.484 11.404 1.605 366 HB2 ARG 47 2HB ARG 47 -16.472 15.055 -1.009 367 HB3 ARG 47 1HB ARG 47 -16.823 14.046 -2.405 368 HG2 ARG 47 2HG ARG 47 -18.467 13.598 -0.748 369 HG3 ARG 47 1HG ARG 47 -17.397 12.197 -0.828 370 HD2 ARG 47 2HD ARG 47 -16.115 13.323 1.089 371 HD3 ARG 47 1HD ARG 47 -17.549 14.333 1.271 372 HH11 ARG 47 1HH1 ARG 47 -19.034 14.499 2.156 373 HH12 ARG 47 2HH1 ARG 47 -20.083 13.885 3.396 374 HH21 ARG 47 1HH2 ARG 47 -18.840 10.606 3.239 375 HH22 ARG 47 2HH2 ARG 47 -19.944 11.688 4.047 376 H THR 48 HN THR 48 -15.731 11.226 -0.429 377 HA THR 48 HA THR 48 -14.497 9.409 -2.090 378 HB THR 48 HB THR 48 -16.454 7.892 -1.432 379 HG1 THR 48 1HG THR 48 -18.133 9.157 -0.947 380 HG21 THR 48 3HG2 THR 48 -14.997 9.392 0.748 381 HG22 THR 48 1HG2 THR 48 -14.361 8.017 -0.153 382 HG23 THR 48 2HG2 THR 48 -15.750 7.806 0.912 383 HA PRO 49 HA PRO 49 -16.832 10.486 -5.752 384 HB2 PRO 49 2HB PRO 49 -14.991 9.676 -7.546 385 HB3 PRO 49 1HB PRO 49 -14.821 11.158 -6.603 386 HG2 PRO 49 2HG PRO 49 -13.398 8.593 -6.348 387 HG3 PRO 49 1HG PRO 49 -12.897 10.212 -5.839 388 HD2 PRO 49 2HD PRO 49 -14.000 8.125 -4.226 389 HD3 PRO 49 1HD PRO 49 -13.550 9.765 -3.725 390 H GLU 50 HN GLU 50 -18.549 9.126 -5.816 391 HA GLU 50 HA GLU 50 -19.903 7.512 -6.633 392 HB2 GLU 50 2HB GLU 50 -17.594 6.886 -8.481 393 HB3 GLU 50 1HB GLU 50 -19.255 6.345 -8.685 394 HG2 GLU 50 2HG GLU 50 -20.004 8.599 -9.029 395 HG3 GLU 50 1HG GLU 50 -18.401 9.232 -8.655 396 H VAL 51 HN VAL 51 -17.247 5.481 -7.535 397 HA VAL 51 HA VAL 51 -17.431 3.852 -5.127 398 HB VAL 51 HB VAL 51 -17.744 1.772 -6.556 399 HG11 VAL 51 1HG1 VAL 51 -19.522 2.588 -5.124 400 HG12 VAL 51 2HG1 VAL 51 -20.189 1.977 -6.638 401 HG13 VAL 51 3HG1 VAL 51 -20.041 3.715 -6.378 402 HG21 VAL 51 3HG2 VAL 51 -18.894 2.060 -8.701 403 HG22 VAL 51 1HG2 VAL 51 -17.276 2.761 -8.728 404 HG23 VAL 51 2HG2 VAL 51 -18.688 3.806 -8.573 405 H SER 52 HN SER 52 -15.433 5.491 -6.646 406 HA SER 52 HA SER 52 -13.555 3.438 -7.585 407 HG SER 52 HG SER 52 -11.421 5.135 -8.135 408 HB2 SER 52 2HB SER 52 -14.090 5.408 -9.048 409 HB3 SER 52 1HB SER 52 -13.358 6.453 -7.834 410 H ASP 53 HN ASP 53 -14.223 4.011 -4.766 411 HA ASP 53 HA ASP 53 -11.536 4.532 -3.748 412 HB2 ASP 53 2HB ASP 53 -12.420 6.087 -2.043 413 HB3 ASP 53 1HB ASP 53 -12.689 6.697 -3.673 414 H ASN 54 HN ASN 54 -12.701 4.713 -1.032 415 HA ASN 54 HA ASN 54 -13.311 3.442 0.732 416 HB2 ASN 54 2HB ASN 54 -14.266 1.442 -1.320 417 HB3 ASN 54 1HB ASN 54 -14.442 1.236 0.419 418 HD21 ASN 54 1HD2 ASN 54 -15.580 2.817 -2.396 419 HD22 ASN 54 2HD2 ASN 54 -16.932 3.620 -1.678 420 HA PRO 55 HA PRO 55 -9.434 1.186 0.857 421 HB2 PRO 55 2HB PRO 55 -9.358 1.877 3.657 422 HB3 PRO 55 1HB PRO 55 -8.346 2.492 2.349 423 HG2 PRO 55 2HG PRO 55 -10.187 4.008 3.704 424 HG3 PRO 55 1HG PRO 55 -9.651 4.344 2.049 425 HD2 PRO 55 2HD PRO 55 -12.143 2.977 2.993 426 HD3 PRO 55 1HD PRO 55 -11.932 4.157 1.678 427 H VAL 56 HN VAL 56 -12.411 0.754 2.413 428 HA VAL 56 HA VAL 56 -11.664 -1.532 3.998 429 HB VAL 56 HB VAL 56 -14.081 -1.838 4.356 430 HG11 VAL 56 1HG1 VAL 56 -12.859 -0.316 5.810 431 HG12 VAL 56 2HG1 VAL 56 -14.504 0.264 5.545 432 HG13 VAL 56 3HG1 VAL 56 -13.157 1.015 4.690 433 HG21 VAL 56 3HG2 VAL 56 -14.917 -1.161 2.186 434 HG22 VAL 56 1HG2 VAL 56 -14.377 0.494 2.467 435 HG23 VAL 56 2HG2 VAL 56 -15.672 -0.188 3.450 436 H MET 57 HN MET 57 -12.448 -3.682 3.626 437 HA MET 57 HA MET 57 -12.890 -5.549 2.417 438 HB2 MET 57 2HB MET 57 -13.920 -3.582 0.373 439 HB3 MET 57 1HB MET 57 -13.976 -5.325 0.145 440 HG2 MET 57 2HG MET 57 -15.369 -5.557 2.119 441 HG3 MET 57 1HG MET 57 -15.284 -3.820 2.400 442 HE1 MET 57 3HE MET 57 -17.327 -5.667 -1.308 443 HE2 MET 57 1HE MET 57 -16.581 -6.643 -0.040 444 HE3 MET 57 2HE MET 57 -15.580 -5.615 -1.067 445 H ILE 58 HN ILE 58 -10.515 -3.473 1.875 446 HA ILE 58 HA ILE 58 -9.386 -4.528 -0.541 447 HB ILE 58 HB ILE 58 -8.874 -2.246 0.491 448 HG12 ILE 58 2HG1 ILE 58 -6.428 -2.363 -0.174 449 HG13 ILE 58 1HG1 ILE 58 -6.657 -4.094 -0.398 450 HG21 ILE 58 1HG2 ILE 58 -7.032 -2.163 2.107 451 HG22 ILE 58 2HG2 ILE 58 -7.076 -3.922 2.233 452 HG23 ILE 58 3HG2 ILE 58 -8.457 -2.963 2.767 453 HD11 ILE 58 3HD1 ILE 58 -8.335 -3.654 -2.109 454 HD12 ILE 58 1HD1 ILE 58 -6.795 -2.888 -2.504 455 HD13 ILE 58 2HD1 ILE 58 -8.127 -1.919 -1.874 456 H ALA 59 HN ALA 59 -9.655 -5.613 2.655 457 HA ALA 59 HA ALA 59 -7.204 -7.060 2.869 458 HB1 ALA 59 1HB ALA 59 -8.488 -6.317 4.833 459 HB2 ALA 59 2HB ALA 59 -8.190 -8.056 4.853 460 HB3 ALA 59 3HB ALA 59 -9.778 -7.438 4.397 461 H GLU 60 HN GLU 60 -10.579 -8.093 2.345 462 HA GLU 60 HA GLU 60 -9.939 -10.759 1.667 463 HB2 GLU 60 2HB GLU 60 -12.251 -10.655 0.509 464 HB3 GLU 60 1HB GLU 60 -12.164 -10.494 2.255 465 HG2 GLU 60 2HG GLU 60 -12.154 -8.047 0.553 466 HG3 GLU 60 1HG GLU 60 -13.662 -8.911 0.838 467 H LEU 61 HN LEU 61 -10.086 -7.806 -0.149 468 HA LEU 61 HA LEU 61 -9.902 -8.869 -2.754 469 HG LEU 61 HG LEU 61 -9.753 -7.137 -4.450 470 HB2 LEU 61 2HB LEU 61 -10.362 -6.467 -1.997 471 HB3 LEU 61 1HB LEU 61 -8.636 -6.310 -1.788 472 HD11 LEU 61 1HD1 LEU 61 -9.808 -4.776 -5.095 473 HD12 LEU 61 2HD1 LEU 61 -9.433 -4.312 -3.436 474 HD13 LEU 61 3HD1 LEU 61 -10.962 -5.112 -3.803 475 HD21 LEU 61 3HD2 LEU 61 -7.274 -5.643 -3.587 476 HD22 LEU 61 1HD2 LEU 61 -7.706 -6.036 -5.251 477 HD23 LEU 61 2HD2 LEU 61 -7.347 -7.326 -4.105 478 H LEU 62 HN LEU 62 -7.406 -7.610 -0.581 479 HA LEU 62 HA LEU 62 -5.176 -8.276 -2.124 480 HG LEU 62 HG LEU 62 -3.210 -9.018 0.189 481 HB2 LEU 62 2HB LEU 62 -5.158 -6.744 -0.201 482 HB3 LEU 62 1HB LEU 62 -5.388 -8.103 0.878 483 HD11 LEU 62 1HD1 LEU 62 -1.680 -7.633 -1.127 484 HD12 LEU 62 2HD1 LEU 62 -2.976 -6.468 -1.403 485 HD13 LEU 62 3HD1 LEU 62 -3.103 -8.101 -2.058 486 HD21 LEU 62 3HD2 LEU 62 -3.331 -7.605 2.154 487 HD22 LEU 62 1HD2 LEU 62 -3.127 -6.165 1.155 488 HD23 LEU 62 2HD2 LEU 62 -1.816 -7.334 1.294 489 H ARG 63 HN ARG 63 -6.919 -10.180 0.286 490 HA ARG 63 HA ARG 63 -4.931 -12.234 0.362 491 HE ARG 63 HE ARG 63 -9.955 -11.484 3.244 492 HB2 ARG 63 2HB ARG 63 -6.258 -13.327 1.940 493 HB3 ARG 63 1HB ARG 63 -6.578 -11.624 2.218 494 HG2 ARG 63 2HG ARG 63 -8.692 -11.792 1.070 495 HG3 ARG 63 1HG ARG 63 -8.359 -13.473 0.645 496 HD2 ARG 63 2HD ARG 63 -9.674 -13.767 2.502 497 HD3 ARG 63 1HD ARG 63 -8.073 -13.751 3.235 498 HH11 ARG 63 1HH1 ARG 63 -7.256 -13.221 4.673 499 HH12 ARG 63 2HH1 ARG 63 -7.224 -12.230 6.105 500 HH21 ARG 63 1HH2 ARG 63 -9.946 -10.228 5.137 501 HH22 ARG 63 2HH2 ARG 63 -8.765 -10.550 6.380 502 H GLU 64 HN GLU 64 -6.560 -11.476 -2.202 503 HA GLU 64 HA GLU 64 -7.624 -13.989 -3.057 504 HB2 GLU 64 2HB GLU 64 -6.998 -11.370 -4.342 505 HB3 GLU 64 1HB GLU 64 -7.174 -12.779 -5.375 506 HG2 GLU 64 2HG GLU 64 -9.238 -11.772 -3.432 507 HG3 GLU 64 1HG GLU 64 -9.247 -11.493 -5.174 508 H PHE 65 HN PHE 65 -4.518 -12.775 -2.569 509 HA PHE 65 HA PHE 65 -3.376 -14.833 -4.344 510 HD1 PHE 65 1HD PHE 65 -3.522 -13.647 -6.339 511 HD2 PHE 65 2HD PHE 65 -2.136 -10.361 -4.026 512 HE1 PHE 65 1HE PHE 65 -4.411 -12.095 -8.026 513 HE2 PHE 65 2HE PHE 65 -3.029 -8.798 -5.701 514 HZ PHE 65 HZ PHE 65 -4.169 -9.665 -7.701 515 HB2 PHE 65 2HB PHE 65 -1.881 -12.472 -3.205 516 HB3 PHE 65 1HB PHE 65 -1.362 -13.557 -4.488 517 HA PRO 66 HA PRO 66 -2.553 -16.272 -0.031 518 HB2 PRO 66 2HB PRO 66 -3.152 -18.923 -1.062 519 HB3 PRO 66 1HB PRO 66 -3.961 -18.026 0.224 520 HG2 PRO 66 2HG PRO 66 -5.121 -18.550 -2.176 521 HG3 PRO 66 1HG PRO 66 -5.505 -17.117 -1.204 522 HD2 PRO 66 2HD PRO 66 -3.710 -17.368 -3.590 523 HD3 PRO 66 1HD PRO 66 -4.869 -16.084 -3.181 524 H GLN 67 HN GLN 67 -1.333 -16.801 -3.120 525 HA GLN 67 HA GLN 67 0.636 -18.733 -2.820 526 HB2 GLN 67 2HB GLN 67 0.972 -16.134 -4.335 527 HB3 GLN 67 1HB GLN 67 1.776 -17.665 -4.657 528 HG2 GLN 67 2HG GLN 67 -0.269 -18.656 -5.405 529 HG3 GLN 67 1HG GLN 67 -1.190 -17.236 -4.904 530 HE21 GLN 67 1HE2 GLN 67 0.906 -18.592 -7.305 531 HE22 GLN 67 2HE2 GLN 67 0.773 -17.297 -8.452 532 H PHE 68 HN PHE 68 0.784 -15.254 -2.181 533 HA PHE 68 HA PHE 68 3.216 -15.664 -0.574 534 HD1 PHE 68 2HD PHE 68 4.807 -15.241 -2.729 535 HD2 PHE 68 1HD PHE 68 1.586 -12.598 -3.542 536 HE1 PHE 68 2HE PHE 68 5.220 -15.484 -5.146 537 HE2 PHE 68 1HE PHE 68 1.990 -12.820 -5.950 538 HZ PHE 68 HZ PHE 68 3.809 -14.271 -6.759 539 HB2 PHE 68 2HB PHE 68 2.181 -12.964 -1.381 540 HB3 PHE 68 1HB PHE 68 3.832 -13.457 -1.031 541 H ASP 69 HN ASP 69 3.241 -13.671 1.145 542 HA ASP 69 HA ASP 69 0.571 -13.501 2.372 543 HB2 ASP 69 2HB ASP 69 2.076 -15.050 3.657 544 HB3 ASP 69 1HB ASP 69 3.155 -13.684 3.935 545 H TRP 70 HN TRP 70 -0.052 -11.474 2.104 546 HA TRP 70 HA TRP 70 1.978 -9.401 1.740 547 HD1 TRP 70 1HD TRP 70 -0.510 -11.931 0.218 548 HE1 TRP 70 1HE TRP 70 -0.052 -12.563 -2.228 549 HE3 TRP 70 3HE TRP 70 1.074 -7.388 -1.515 550 HZ2 TRP 70 2HZ TRP 70 0.844 -11.305 -4.581 551 HZ3 TRP 70 3HZ TRP 70 1.707 -7.190 -3.882 552 HH2 TRP 70 2HH TRP 70 1.595 -9.119 -5.385 553 HB2 TRP 70 2HB TRP 70 -0.991 -9.233 1.202 554 HB3 TRP 70 1HB TRP 70 0.253 -8.131 0.632 555 H GLN 71 HN GLN 71 1.915 -7.424 2.845 556 HA GLN 71 HA GLN 71 0.057 -7.273 5.129 557 HB2 GLN 71 2HB GLN 71 2.691 -5.838 4.736 558 HB3 GLN 71 1HB GLN 71 1.616 -5.627 6.109 559 HG2 GLN 71 2HG GLN 71 1.918 -8.161 6.453 560 HG3 GLN 71 1HG GLN 71 3.311 -7.979 5.389 561 HE21 GLN 71 1HE2 GLN 71 3.703 -5.208 6.419 562 HE22 GLN 71 2HE2 GLN 71 4.462 -5.400 7.958 563 H VAL 72 HN VAL 72 -0.811 -5.110 5.595 564 HA VAL 72 HA VAL 72 -1.241 -3.622 3.092 565 HB VAL 72 HB VAL 72 -3.057 -3.603 5.505 566 HG11 VAL 72 1HG1 VAL 72 -4.675 -2.629 3.972 567 HG12 VAL 72 2HG1 VAL 72 -3.506 -2.723 2.655 568 HG13 VAL 72 3HG1 VAL 72 -3.206 -1.655 4.026 569 HG21 VAL 72 3HG2 VAL 72 -3.313 -5.242 2.985 570 HG22 VAL 72 1HG2 VAL 72 -4.538 -5.100 4.247 571 HG23 VAL 72 2HG2 VAL 72 -2.987 -5.863 4.603 572 H ALA 73 HN ALA 73 -0.276 -1.732 2.992 573 HA ALA 73 HA ALA 73 0.176 -0.247 5.496 574 HB1 ALA 73 1HB ALA 73 2.269 -0.942 4.461 575 HB2 ALA 73 2HB ALA 73 2.090 0.810 4.372 576 HB3 ALA 73 3HB ALA 73 1.791 -0.180 2.945 577 H VAL 74 HN VAL 74 -0.183 2.000 5.457 578 HA VAL 74 HA VAL 74 -1.692 2.986 3.132 579 HB VAL 74 HB VAL 74 -3.235 4.175 4.701 580 HG11 VAL 74 1HG1 VAL 74 -4.630 2.217 5.173 581 HG12 VAL 74 2HG1 VAL 74 -3.254 1.165 4.838 582 HG13 VAL 74 3HG1 VAL 74 -3.939 2.159 3.553 583 HG21 VAL 74 3HG2 VAL 74 -1.995 2.345 6.758 584 HG22 VAL 74 1HG2 VAL 74 -3.435 3.336 7.004 585 HG23 VAL 74 2HG2 VAL 74 -1.874 4.103 6.716 586 H ALA 75 HN ALA 75 -1.543 5.162 2.715 587 HA ALA 75 HA ALA 75 0.602 6.616 3.990 588 HB1 ALA 75 1HB ALA 75 0.056 8.390 2.393 589 HB2 ALA 75 2HB ALA 75 -1.376 7.495 1.883 590 HB3 ALA 75 3HB ALA 75 0.230 6.836 1.578 591 H ASP 76 HN ASP 76 0.322 8.561 5.161 592 HA ASP 76 HA ASP 76 -2.023 8.539 6.850 593 HB2 ASP 76 2HB ASP 76 -0.842 10.141 8.196 594 HB3 ASP 76 1HB ASP 76 0.318 8.919 7.691 595 H LEU 77 HN LEU 77 -2.435 9.224 4.088 596 HA LEU 77 HA LEU 77 -3.623 10.645 2.791 597 HG LEU 77 HG LEU 77 -6.009 10.889 3.513 598 HB2 LEU 77 2HB LEU 77 -3.977 12.077 5.407 599 HB3 LEU 77 1HB LEU 77 -4.505 12.818 3.911 600 HD11 LEU 77 1HD1 LEU 77 -5.177 10.027 6.280 601 HD12 LEU 77 2HD1 LEU 77 -4.776 9.193 4.778 602 HD13 LEU 77 3HD1 LEU 77 -6.455 9.304 5.305 603 HD21 LEU 77 3HD2 LEU 77 -6.355 12.301 6.154 604 HD22 LEU 77 1HD2 LEU 77 -7.631 11.463 5.270 605 HD23 LEU 77 2HD2 LEU 77 -6.864 12.891 4.573 606 H GLU 78 HN GLU 78 -1.376 12.312 4.949 607 HA GLU 78 HA GLU 78 -0.760 14.427 3.164 608 HB2 GLU 78 2HB GLU 78 -0.391 14.549 5.589 609 HB3 GLU 78 1HB GLU 78 0.827 13.291 5.474 610 HG2 GLU 78 2HG GLU 78 1.879 15.442 5.680 611 HG3 GLU 78 1HG GLU 78 2.207 14.769 4.083 612 H GLN 79 HN GLN 79 0.980 11.446 4.025 613 HA GLN 79 HA GLN 79 3.204 11.784 2.407 614 HB2 GLN 79 2HB GLN 79 1.989 9.612 3.875 615 HB3 GLN 79 1HB GLN 79 2.722 9.037 2.386 616 HG2 GLN 79 2HG GLN 79 4.400 8.852 3.981 617 HG3 GLN 79 1HG GLN 79 4.792 10.328 3.101 618 HE21 GLN 79 1HE2 GLN 79 3.743 8.965 6.088 619 HE22 GLN 79 2HE2 GLN 79 3.885 10.406 7.045 620 H SER 80 HN SER 80 -0.002 11.014 1.397 621 HA SER 80 HA SER 80 0.341 9.261 -0.688 622 HG SER 80 HG SER 80 -2.287 10.796 1.032 623 HB2 SER 80 2HB SER 80 -1.573 11.599 -0.769 624 HB3 SER 80 1HB SER 80 -1.764 10.027 -1.545 625 H GLU 81 HN GLU 81 0.696 12.798 -0.820 626 HA GLU 81 HA GLU 81 1.058 12.960 -3.620 627 HB2 GLU 81 2HB GLU 81 0.471 14.874 -2.124 628 HB3 GLU 81 1HB GLU 81 2.115 14.837 -1.504 629 HG2 GLU 81 2HG GLU 81 1.974 16.571 -3.121 630 HG3 GLU 81 1HG GLU 81 2.933 15.262 -3.810 631 H ALA 82 HN ALA 82 3.351 12.771 -0.922 632 HA ALA 82 HA ALA 82 5.689 12.909 -2.530 633 HB1 ALA 82 1HB ALA 82 5.328 11.814 0.259 634 HB2 ALA 82 2HB ALA 82 5.730 13.480 -0.162 635 HB3 ALA 82 3HB ALA 82 6.873 12.181 -0.510 636 H ILE 83 HN ILE 83 3.873 10.222 -1.095 637 HA ILE 83 HA ILE 83 5.593 8.156 -1.906 638 HB ILE 83 HB ILE 83 2.631 8.095 -1.334 639 HG12 ILE 83 2HG1 ILE 83 5.044 7.310 0.318 640 HG13 ILE 83 1HG1 ILE 83 4.042 8.735 0.568 641 HG21 ILE 83 1HG2 ILE 83 3.192 6.205 -2.752 642 HG22 ILE 83 2HG2 ILE 83 2.880 5.658 -1.106 643 HG23 ILE 83 3HG2 ILE 83 4.538 5.783 -1.693 644 HD11 ILE 83 3HD1 ILE 83 2.139 7.297 1.089 645 HD12 ILE 83 1HD1 ILE 83 3.505 6.994 2.163 646 HD13 ILE 83 2HD1 ILE 83 3.153 5.874 0.848 647 H GLY 84 HN GLY 84 2.842 9.691 -3.506 648 HA2 GLY 84 2HA GLY 84 2.610 7.992 -5.708 649 HA3 GLY 84 1HA GLY 84 2.212 9.706 -5.717 650 H ASP 85 HN ASP 85 4.569 10.951 -5.404 651 HA ASP 85 HA ASP 85 5.715 10.717 -7.983 652 HB2 ASP 85 2HB ASP 85 5.604 12.836 -6.675 653 HB3 ASP 85 1HB ASP 85 6.842 12.189 -5.604 654 H ARG 86 HN ARG 86 6.628 9.561 -4.827 655 HA ARG 86 HA ARG 86 9.262 8.758 -5.272 656 HE ARG 86 HE ARG 86 11.395 5.709 -2.493 657 HB2 ARG 86 2HB ARG 86 8.163 8.796 -3.068 658 HB3 ARG 86 1HB ARG 86 7.137 7.456 -3.554 659 HG2 ARG 86 2HG ARG 86 8.823 6.561 -2.175 660 HG3 ARG 86 1HG ARG 86 9.228 6.089 -3.824 661 HD2 ARG 86 2HD ARG 86 10.915 7.786 -3.958 662 HD3 ARG 86 1HD ARG 86 10.415 8.475 -2.413 663 HH11 ARG 86 1HH1 ARG 86 11.945 9.056 -1.620 664 HH12 ARG 86 2HH1 ARG 86 13.170 8.682 -0.446 665 HH21 ARG 86 1HH2 ARG 86 13.003 5.215 -0.923 666 HH22 ARG 86 2HH2 ARG 86 13.759 6.505 -0.048 667 H PHE 87 HN PHE 87 6.232 7.197 -6.128 668 HA PHE 87 HA PHE 87 7.735 4.949 -7.273 669 HD1 PHE 87 2HD PHE 87 8.071 3.588 -5.788 670 HD2 PHE 87 1HD PHE 87 4.115 4.450 -4.482 671 HE1 PHE 87 2HE PHE 87 8.630 2.746 -3.546 672 HE2 PHE 87 1HE PHE 87 4.671 3.612 -2.237 673 HZ PHE 87 HZ PHE 87 6.931 2.754 -1.770 674 HB2 PHE 87 2HB PHE 87 4.798 5.155 -6.579 675 HB3 PHE 87 1HB PHE 87 5.566 3.749 -7.308 676 H ASN 88 HN ASN 88 6.965 7.786 -8.274 677 HA ASN 88 HA ASN 88 6.730 8.762 -10.306 678 HB2 ASN 88 2HB ASN 88 7.013 5.954 -11.398 679 HB3 ASN 88 1HB ASN 88 7.201 7.447 -12.316 680 HD21 ASN 88 1HD2 ASN 88 8.614 5.308 -9.998 681 HD22 ASN 88 2HD2 ASN 88 10.179 6.036 -9.959 682 H VAL 89 HN VAL 89 4.436 7.839 -8.819 683 HA VAL 89 HA VAL 89 2.446 7.257 -10.878 684 HB VAL 89 HB VAL 89 1.779 7.855 -8.004 685 HG11 VAL 89 1HG1 VAL 89 0.586 5.975 -10.037 686 HG12 VAL 89 2HG1 VAL 89 -0.059 7.550 -9.567 687 HG13 VAL 89 3HG1 VAL 89 -0.011 6.230 -8.396 688 HG21 VAL 89 3HG2 VAL 89 2.115 5.504 -7.418 689 HG22 VAL 89 1HG2 VAL 89 3.631 6.275 -7.885 690 HG23 VAL 89 2HG2 VAL 89 2.802 5.203 -9.014 691 H ARG 90 HN ARG 90 0.357 8.866 -9.561 692 HA ARG 90 HA ARG 90 1.143 11.610 -9.812 693 HE ARG 90 HE ARG 90 0.008 14.592 -13.779 694 HB2 ARG 90 2HB ARG 90 1.160 10.676 -12.179 695 HB3 ARG 90 1HB ARG 90 -0.570 10.442 -12.013 696 HG2 ARG 90 2HG ARG 90 -0.841 12.867 -11.685 697 HG3 ARG 90 1HG ARG 90 0.897 13.070 -11.927 698 HD2 ARG 90 2HD ARG 90 0.721 12.136 -14.156 699 HD3 ARG 90 1HD ARG 90 -0.996 11.831 -13.915 700 HH11 ARG 90 1HH1 ARG 90 -1.960 12.118 -15.290 701 HH12 ARG 90 2HH1 ARG 90 -2.726 13.215 -16.403 702 HH21 ARG 90 1HH2 ARG 90 -1.004 16.058 -15.238 703 HH22 ARG 90 2HH2 ARG 90 -2.175 15.454 -16.378 704 H ARG 91 HN ARG 91 -1.143 12.877 -10.229 705 HA ARG 91 HA ARG 91 -2.807 12.439 -8.048 706 HE ARG 91 HE ARG 91 -2.394 15.170 -7.460 707 HB2 ARG 91 2HB ARG 91 -2.608 14.529 -9.454 708 HB3 ARG 91 1HB ARG 91 -3.612 13.736 -10.656 709 HG2 ARG 91 2HG ARG 91 -4.947 15.232 -9.331 710 HG3 ARG 91 1HG ARG 91 -5.425 13.566 -9.005 711 HD2 ARG 91 2HD ARG 91 -5.299 14.934 -6.962 712 HD3 ARG 91 1HD ARG 91 -4.182 13.572 -6.934 713 HH11 ARG 91 1HH1 ARG 91 -5.426 16.484 -6.242 714 HH12 ARG 91 2HH1 ARG 91 -4.666 17.891 -5.561 715 HH21 ARG 91 1HH2 ARG 91 -1.426 17.010 -6.554 716 HH22 ARG 91 2HH2 ARG 91 -2.403 18.189 -5.732 717 H PHE 92 HN PHE 92 -5.105 11.782 -8.071 718 HA PHE 92 HA PHE 92 -6.673 10.175 -8.287 719 HD1 PHE 92 1HD PHE 92 -9.032 10.168 -10.021 720 HD2 PHE 92 2HD PHE 92 -5.645 12.137 -11.682 721 HE1 PHE 92 1HE PHE 92 -10.458 12.061 -10.687 722 HE2 PHE 92 2HE PHE 92 -7.065 14.031 -12.349 723 HZ PHE 92 HZ PHE 92 -9.479 13.994 -11.851 724 HB2 PHE 92 2HB PHE 92 -5.526 9.829 -11.067 725 HB3 PHE 92 1HB PHE 92 -6.939 8.963 -10.471 726 HA PRO 93 HA PRO 93 -3.552 7.493 -6.601 727 HB2 PRO 93 2HB PRO 93 -5.650 6.570 -4.799 728 HB3 PRO 93 1HB PRO 93 -4.195 7.501 -4.436 729 HG2 PRO 93 2HG PRO 93 -6.664 8.580 -4.296 730 HG3 PRO 93 1HG PRO 93 -5.241 9.524 -4.783 731 HD2 PRO 93 2HD PRO 93 -7.358 8.267 -6.499 732 HD3 PRO 93 1HD PRO 93 -6.643 9.892 -6.603 733 H ALA 94 HN ALA 94 -3.745 5.175 -5.526 734 HA ALA 94 HA ALA 94 -5.290 3.203 -6.849 735 HB1 ALA 94 1HB ALA 94 -3.571 2.276 -8.319 736 HB2 ALA 94 2HB ALA 94 -2.479 3.594 -7.895 737 HB3 ALA 94 3HB ALA 94 -3.957 3.931 -8.796 738 H THR 95 HN THR 95 -4.559 1.052 -6.269 739 HA THR 95 HA THR 95 -3.043 0.971 -3.806 740 HB THR 95 HB THR 95 -4.109 -1.330 -5.461 741 HG1 THR 95 1HG THR 95 -5.383 0.509 -3.890 742 HG21 THR 95 3HG2 THR 95 -3.341 -1.167 -2.543 743 HG22 THR 95 1HG2 THR 95 -2.407 -1.966 -3.808 744 HG23 THR 95 2HG2 THR 95 -3.998 -2.583 -3.363 745 H LEU 96 HN LEU 96 -0.882 0.582 -3.694 746 HA LEU 96 HA LEU 96 0.499 0.018 -6.198 747 HG LEU 96 HG LEU 96 2.585 2.691 -4.682 748 HB2 LEU 96 2HB LEU 96 1.509 0.794 -3.464 749 HB3 LEU 96 1HB LEU 96 2.571 0.323 -4.773 750 HD11 LEU 96 1HD1 LEU 96 2.518 1.738 -6.929 751 HD12 LEU 96 2HD1 LEU 96 1.743 3.321 -6.877 752 HD13 LEU 96 3HD1 LEU 96 0.758 1.858 -6.931 753 HD21 LEU 96 3HD2 LEU 96 0.565 4.062 -4.830 754 HD22 LEU 96 1HD2 LEU 96 0.562 3.053 -3.384 755 HD23 LEU 96 2HD2 LEU 96 -0.427 2.605 -4.774 756 H VAL 97 HN VAL 97 1.192 -1.916 -6.732 757 HA VAL 97 HA VAL 97 0.895 -4.068 -4.766 758 HB VAL 97 HB VAL 97 1.210 -4.270 -7.767 759 HG11 VAL 97 1HG1 VAL 97 0.478 -6.586 -7.468 760 HG12 VAL 97 2HG1 VAL 97 0.421 -6.345 -5.724 761 HG13 VAL 97 3HG1 VAL 97 1.964 -6.266 -6.571 762 HG21 VAL 97 3HG2 VAL 97 -0.887 -3.157 -7.165 763 HG22 VAL 97 1HG2 VAL 97 -1.285 -4.489 -6.078 764 HG23 VAL 97 2HG2 VAL 97 -1.187 -4.769 -7.818 765 H PHE 98 HN PHE 98 2.712 -4.445 -3.690 766 HA PHE 98 HA PHE 98 5.225 -4.462 -5.206 767 HD1 PHE 98 2HD PHE 98 7.516 -3.091 -4.508 768 HD2 PHE 98 1HD PHE 98 3.900 -1.555 -2.875 769 HE1 PHE 98 2HE PHE 98 8.106 -0.868 -5.325 770 HE2 PHE 98 1HE PHE 98 4.485 0.692 -3.701 771 HZ PHE 98 HZ PHE 98 6.596 1.042 -4.925 772 HB2 PHE 98 2HB PHE 98 4.610 -3.755 -2.362 773 HB3 PHE 98 1HB PHE 98 6.222 -4.317 -2.804 774 H THR 99 HN THR 99 6.366 -6.224 -5.358 775 HA THR 99 HA THR 99 5.843 -8.504 -3.606 776 HB THR 99 HB THR 99 5.928 -9.156 -6.499 777 HG1 THR 99 1HG THR 99 3.735 -7.904 -5.206 778 HG21 THR 99 3HG2 THR 99 4.399 -10.936 -5.815 779 HG22 THR 99 1HG2 THR 99 4.336 -10.259 -4.187 780 HG23 THR 99 2HG2 THR 99 5.848 -10.916 -4.811 781 H ASP 100 HN ASP 100 7.606 -9.812 -3.415 782 HA ASP 100 HA ASP 100 9.807 -10.445 -3.465 783 HB2 ASP 100 2HB ASP 100 9.176 -10.858 -5.890 784 HB3 ASP 100 1HB ASP 100 9.899 -9.303 -6.262 785 H GLY 101 HN GLY 101 8.952 -7.666 -2.759 786 HA2 GLY 101 2HA GLY 101 10.015 -5.786 -1.957 787 HA3 GLY 101 1HA GLY 101 11.548 -6.506 -2.427 788 H LYS 102 HN LYS 102 9.378 -6.494 -5.002 789 HA LYS 102 HA LYS 102 10.521 -3.973 -6.030 790 HB2 LYS 102 2HB LYS 102 9.969 -6.522 -7.559 791 HB3 LYS 102 1HB LYS 102 10.586 -5.028 -8.248 792 HG2 LYS 102 2HG LYS 102 12.622 -5.219 -7.001 793 HG3 LYS 102 1HG LYS 102 11.999 -6.610 -6.117 794 HD2 LYS 102 2HD LYS 102 11.855 -7.854 -8.244 795 HD3 LYS 102 1HD LYS 102 12.581 -6.474 -9.069 796 HE2 LYS 102 2HE LYS 102 14.241 -8.203 -8.561 797 HE3 LYS 102 1HE LYS 102 14.585 -6.692 -7.717 798 HZ1 LYS 102 3HZ LYS 102 14.825 -8.730 -6.342 799 HZ2 LYS 102 1HZ LYS 102 13.156 -8.984 -6.476 800 HZ3 LYS 102 2HZ LYS 102 13.748 -7.596 -5.699 801 H LEU 103 HN LEU 103 9.232 -2.875 -7.639 802 HA LEU 103 HA LEU 103 6.437 -2.891 -6.979 803 HG LEU 103 HG LEU 103 5.605 -1.329 -9.647 804 HB2 LEU 103 2HB LEU 103 7.586 -0.789 -7.428 805 HB3 LEU 103 1HB LEU 103 7.996 -1.331 -9.043 806 HD11 LEU 103 1HD1 LEU 103 5.202 -0.159 -6.898 807 HD12 LEU 103 2HD1 LEU 103 4.676 -1.754 -7.431 808 HD13 LEU 103 3HD1 LEU 103 3.971 -0.308 -8.152 809 HD21 LEU 103 3HD2 LEU 103 6.587 1.275 -8.482 810 HD22 LEU 103 1HD2 LEU 103 5.325 1.092 -9.700 811 HD23 LEU 103 2HD2 LEU 103 6.986 0.640 -10.078 812 H ARG 104 HN ARG 104 4.852 -3.931 -7.975 813 HA ARG 104 HA ARG 104 5.458 -5.306 -10.490 814 HE ARG 104 HE ARG 104 6.821 -5.854 -9.646 815 HB2 ARG 104 2HB ARG 104 3.745 -5.862 -8.185 816 HB3 ARG 104 1HB ARG 104 2.933 -6.120 -9.721 817 HG2 ARG 104 2HG ARG 104 3.926 -8.171 -8.911 818 HG3 ARG 104 1HG ARG 104 4.701 -7.656 -10.405 819 HD2 ARG 104 2HD ARG 104 5.836 -7.029 -7.691 820 HD3 ARG 104 1HD ARG 104 6.206 -8.523 -8.543 821 HH11 ARG 104 1HH1 ARG 104 7.701 -9.182 -8.995 822 HH12 ARG 104 2HH1 ARG 104 9.241 -9.067 -9.789 823 HH21 ARG 104 1HH2 ARG 104 8.840 -5.693 -10.674 824 HH22 ARG 104 2HH2 ARG 104 9.898 -7.076 -10.738 825 H GLY 105 HN GLY 105 3.094 -3.104 -9.033 826 HA2 GLY 105 2HA GLY 105 2.773 -1.491 -11.249 827 HA3 GLY 105 1HA GLY 105 1.578 -2.768 -11.426 828 H ALA 106 HN ALA 106 0.279 -0.665 -11.330 829 HA ALA 106 HA ALA 106 -0.534 -0.228 -8.532 830 HB1 ALA 106 1HB ALA 106 -1.084 2.086 -9.085 831 HB2 ALA 106 2HB ALA 106 -0.514 1.839 -10.734 832 HB3 ALA 106 3HB ALA 106 0.622 1.759 -9.388 833 H LEU 107 HN LEU 107 -2.778 0.029 -8.175 834 HA LEU 107 HA LEU 107 -4.458 -0.771 -10.460 835 HG LEU 107 HG LEU 107 -5.829 -3.767 -8.879 836 HB2 LEU 107 2HB LEU 107 -3.842 -2.404 -8.352 837 HB3 LEU 107 1HB LEU 107 -5.335 -1.670 -7.802 838 HD11 LEU 107 1HD1 LEU 107 -7.448 -1.983 -9.199 839 HD12 LEU 107 2HD1 LEU 107 -7.384 -3.038 -10.610 840 HD13 LEU 107 3HD1 LEU 107 -6.599 -1.458 -10.654 841 HD21 LEU 107 3HD2 LEU 107 -3.851 -3.976 -10.264 842 HD22 LEU 107 1HD2 LEU 107 -4.398 -2.643 -11.280 843 HD23 LEU 107 2HD2 LEU 107 -5.307 -4.153 -11.243 844 H SER 108 HN SER 108 -5.564 1.027 -10.888 845 HA SER 108 HA SER 108 -6.650 2.627 -8.688 846 HG SER 108 HG SER 108 -6.804 5.007 -9.431 847 HB2 SER 108 2HB SER 108 -5.389 3.715 -10.598 848 HB3 SER 108 1HB SER 108 -6.715 3.239 -11.656 849 H GLY 109 HN GLY 109 -8.955 3.453 -9.098 850 HA2 GLY 109 2HA GLY 109 -10.626 1.146 -9.170 851 HA3 GLY 109 1HA GLY 109 -11.154 2.806 -8.961 852 H ILE 110 HN ILE 110 -10.065 0.505 -11.424 853 HA ILE 110 HA ILE 110 -11.491 1.951 -13.495 854 HB ILE 110 HB ILE 110 -10.784 -0.025 -14.935 855 HG12 ILE 110 2HG1 ILE 110 -9.064 -0.638 -12.518 856 HG13 ILE 110 1HG1 ILE 110 -10.431 -1.608 -13.057 857 HG21 ILE 110 1HG2 ILE 110 -8.652 1.629 -13.588 858 HG22 ILE 110 2HG2 ILE 110 -9.629 2.106 -14.980 859 HG23 ILE 110 3HG2 ILE 110 -8.475 0.779 -15.125 860 HD11 ILE 110 3HD1 ILE 110 -9.272 -2.087 -15.144 861 HD12 ILE 110 1HD1 ILE 110 -8.322 -2.586 -13.745 862 HD13 ILE 110 2HD1 ILE 110 -7.905 -1.107 -14.611 863 H HIS 111 HN HIS 111 -13.592 1.846 -12.695 864 HA HIS 111 HA HIS 111 -15.699 1.050 -12.469 865 HD1 HIS 111 1HD HIS 111 -14.045 0.257 -15.906 866 HD2 HIS 111 2HD HIS 111 -18.017 0.104 -14.680 867 HE1 HIS 111 1HE HIS 111 -15.371 1.313 -17.763 868 HE2 HIS 111 2HE HIS 111 -17.739 1.409 -16.896 869 HB2 HIS 111 2HB HIS 111 -14.510 -1.324 -13.890 870 HB3 HIS 111 1HB HIS 111 -16.153 -1.372 -13.264 871 HA PRO 112 HA PRO 112 -15.619 -0.702 -8.446 872 HB2 PRO 112 2HB PRO 112 -18.122 -1.842 -8.343 873 HB3 PRO 112 1HB PRO 112 -17.797 -0.125 -8.093 874 HG2 PRO 112 2HG PRO 112 -18.764 -1.538 -10.546 875 HG3 PRO 112 1HG PRO 112 -19.267 0.028 -9.882 876 HD2 PRO 112 2HD PRO 112 -17.593 -0.163 -11.981 877 HD3 PRO 112 1HD PRO 112 -17.443 1.131 -10.776 878 H TRP 113 HN TRP 113 -14.193 -2.344 -8.349 879 HA TRP 113 HA TRP 113 -13.409 -4.466 -8.158 880 HD1 TRP 113 1HD TRP 113 -15.240 -7.971 -9.020 881 HE1 TRP 113 1HE TRP 113 -14.205 -9.695 -7.408 882 HE3 TRP 113 3HE TRP 113 -14.262 -4.879 -5.069 883 HZ2 TRP 113 2HZ TRP 113 -13.105 -9.719 -4.804 884 HZ3 TRP 113 3HZ TRP 113 -13.214 -5.831 -3.056 885 HH2 TRP 113 2HH TRP 113 -12.650 -8.201 -2.928 886 HB2 TRP 113 2HB TRP 113 -15.790 -4.713 -7.139 887 HB3 TRP 113 1HB TRP 113 -16.197 -5.513 -8.648 888 H ALA 114 HN ALA 114 -15.354 -6.432 -9.904 889 HA ALA 114 HA ALA 114 -15.324 -7.388 -11.946 890 HB1 ALA 114 1HB ALA 114 -15.132 -4.537 -12.890 891 HB2 ALA 114 2HB ALA 114 -16.613 -5.359 -12.398 892 HB3 ALA 114 3HB ALA 114 -15.725 -5.917 -13.816 893 H GLU 115 HN GLU 115 -13.314 -4.719 -13.053 894 HA GLU 115 HA GLU 115 -11.673 -6.586 -14.493 895 HB2 GLU 115 2HB GLU 115 -11.593 -3.578 -14.283 896 HB3 GLU 115 1HB GLU 115 -10.547 -4.521 -15.337 897 HG2 GLU 115 2HG GLU 115 -13.552 -4.491 -15.461 898 HG3 GLU 115 1HG GLU 115 -12.478 -3.563 -16.507 899 H LEU 116 HN LEU 116 -11.463 -4.957 -11.499 900 HA LEU 116 HA LEU 116 -8.720 -4.673 -11.133 901 HG LEU 116 HG LEU 116 -8.102 -4.108 -8.828 902 HB2 LEU 116 2HB LEU 116 -10.593 -3.928 -9.611 903 HB3 LEU 116 1HB LEU 116 -10.704 -5.579 -9.044 904 HD11 LEU 116 1HD1 LEU 116 -9.796 -2.623 -7.866 905 HD12 LEU 116 2HD1 LEU 116 -8.767 -3.320 -6.615 906 HD13 LEU 116 3HD1 LEU 116 -10.394 -3.950 -6.870 907 HD21 LEU 116 3HD2 LEU 116 -9.426 -6.255 -7.171 908 HD22 LEU 116 1HD2 LEU 116 -7.822 -5.579 -6.895 909 HD23 LEU 116 2HD2 LEU 116 -8.145 -6.508 -8.357 910 H LEU 117 HN LEU 117 -10.770 -7.513 -10.671 911 HA LEU 117 HA LEU 117 -8.858 -9.279 -9.670 912 HG LEU 117 HG LEU 117 -12.155 -10.862 -9.287 913 HB2 LEU 117 2HB LEU 117 -11.440 -9.530 -11.101 914 HB3 LEU 117 1HB LEU 117 -10.406 -10.944 -11.105 915 HD11 LEU 117 1HD1 LEU 117 -10.664 -11.740 -7.575 916 HD12 LEU 117 2HD1 LEU 117 -9.276 -11.045 -8.414 917 HD13 LEU 117 3HD1 LEU 117 -10.209 -12.336 -9.173 918 HD21 LEU 117 3HD2 LEU 117 -11.678 -9.504 -7.323 919 HD22 LEU 117 1HD2 LEU 117 -11.963 -8.491 -8.737 920 HD23 LEU 117 2HD2 LEU 117 -10.318 -8.755 -8.159 921 H THR 118 HN THR 118 -9.756 -8.558 -13.021 922 HA THR 118 HA THR 118 -8.071 -10.437 -14.257 923 HB THR 118 HB THR 118 -8.941 -7.774 -15.396 924 HG1 THR 118 1HG THR 118 -10.768 -8.999 -16.175 925 HG21 THR 118 3HG2 THR 118 -8.807 -8.935 -17.549 926 HG22 THR 118 1HG2 THR 118 -8.263 -10.401 -16.733 927 HG23 THR 118 2HG2 THR 118 -7.250 -8.955 -16.723 928 H LEU 119 HN LEU 119 -7.600 -6.965 -13.594 929 HA LEU 119 HA LEU 119 -5.089 -6.829 -14.888 930 HG LEU 119 HG LEU 119 -6.282 -3.365 -14.848 931 HB2 LEU 119 2HB LEU 119 -6.635 -5.033 -13.091 932 HB3 LEU 119 1HB LEU 119 -4.935 -4.691 -13.330 933 HD11 LEU 119 1HD1 LEU 119 -5.217 -3.979 -16.956 934 HD12 LEU 119 2HD1 LEU 119 -4.803 -5.560 -16.291 935 HD13 LEU 119 3HD1 LEU 119 -4.088 -4.100 -15.607 936 HD21 LEU 119 3HD2 LEU 119 -8.238 -4.802 -15.008 937 HD22 LEU 119 1HD2 LEU 119 -7.305 -5.995 -15.911 938 HD23 LEU 119 2HD2 LEU 119 -7.620 -4.406 -16.610 939 H MET 120 HN MET 120 -5.919 -7.031 -11.406 940 HA MET 120 HA MET 120 -3.224 -6.866 -10.570 941 HB2 MET 120 2HB MET 120 -3.969 -7.490 -8.385 942 HB3 MET 120 1HB MET 120 -5.179 -6.434 -9.096 943 HG2 MET 120 2HG MET 120 -6.616 -8.304 -9.554 944 HG3 MET 120 1HG MET 120 -5.378 -9.433 -9.000 945 HE1 MET 120 3HE MET 120 -6.996 -10.628 -7.282 946 HE2 MET 120 1HE MET 120 -8.300 -9.608 -7.891 947 HE3 MET 120 2HE MET 120 -8.033 -9.749 -6.154 948 H ARG 121 HN ARG 121 -5.194 -9.632 -11.519 949 HA ARG 121 HA ARG 121 -3.379 -11.587 -10.525 950 HE ARG 121 HE ARG 121 -7.135 -13.952 -8.747 951 HB2 ARG 121 2HB ARG 121 -5.790 -11.576 -12.267 952 HB3 ARG 121 1HB ARG 121 -4.749 -12.982 -12.287 953 HG2 ARG 121 2HG ARG 121 -5.029 -13.214 -9.861 954 HG3 ARG 121 1HG ARG 121 -6.116 -11.821 -9.876 955 HD2 ARG 121 2HD ARG 121 -7.671 -12.974 -11.287 956 HD3 ARG 121 1HD ARG 121 -6.554 -14.322 -11.492 957 HH11 ARG 121 1HH1 ARG 121 -8.579 -15.146 -11.717 958 HH12 ARG 121 2HH1 ARG 121 -9.634 -16.260 -10.893 959 HH21 ARG 121 1HH2 ARG 121 -8.522 -15.393 -7.682 960 HH22 ARG 121 2HH2 ARG 121 -9.639 -16.364 -8.599 961 H SER 122 HN SER 122 -3.857 -9.967 -13.604 962 HA SER 122 HA SER 122 -2.235 -11.661 -15.162 963 HG SER 122 HG SER 122 -2.363 -10.853 -17.473 964 HB2 SER 122 2HB SER 122 -3.909 -10.005 -16.033 965 HB3 SER 122 1HB SER 122 -2.772 -8.722 -15.630 966 H ILE 123 HN ILE 123 -1.485 -8.971 -13.059 967 HA ILE 123 HA ILE 123 1.155 -8.548 -14.069 968 HB ILE 123 HB ILE 123 0.007 -7.728 -11.396 969 HG12 ILE 123 2HG1 ILE 123 0.209 -6.178 -13.989 970 HG13 ILE 123 1HG1 ILE 123 -1.278 -6.840 -13.319 971 HG21 ILE 123 1HG2 ILE 123 2.427 -7.684 -11.402 972 HG22 ILE 123 2HG2 ILE 123 1.799 -6.037 -11.432 973 HG23 ILE 123 3HG2 ILE 123 2.431 -6.765 -12.908 974 HD11 ILE 123 3HD1 ILE 123 -1.127 -4.474 -12.874 975 HD12 ILE 123 1HD1 ILE 123 0.435 -4.696 -12.083 976 HD13 ILE 123 2HD1 ILE 123 -1.023 -5.381 -11.364 977 H VAL 124 HN VAL 124 -0.218 -10.350 -11.339 978 HA VAL 124 HA VAL 124 2.413 -11.194 -10.453 979 HB VAL 124 HB VAL 124 1.224 -12.464 -8.706 980 HG11 VAL 124 1HG1 VAL 124 0.282 -9.616 -9.014 981 HG12 VAL 124 2HG1 VAL 124 1.809 -10.138 -8.302 982 HG13 VAL 124 3HG1 VAL 124 0.282 -10.541 -7.514 983 HG21 VAL 124 3HG2 VAL 124 -0.766 -13.083 -9.968 984 HG22 VAL 124 1HG2 VAL 124 -1.277 -11.395 -10.013 985 HG23 VAL 124 2HG2 VAL 124 -1.203 -12.252 -8.475 986 H ASP 125 HN ASP 125 0.901 -12.014 -13.049 987 HA ASP 125 HA ASP 125 0.552 -14.817 -12.965 988 HB2 ASP 125 2HB ASP 125 -0.537 -13.610 -14.699 989 HB3 ASP 125 1HB ASP 125 0.958 -12.838 -15.206 990 H THR 126 HN THR 126 3.327 -12.810 -13.298 991 HA THR 126 HA THR 126 5.534 -13.132 -13.519 992 HB THR 126 HB THR 126 6.581 -15.197 -12.740 993 HG1 THR 126 1HG THR 126 4.076 -16.244 -13.213 994 HG21 THR 126 3HG2 THR 126 5.859 -13.544 -11.100 995 HG22 THR 126 1HG2 THR 126 5.709 -15.180 -10.453 996 HG23 THR 126 2HG2 THR 126 4.276 -14.317 -11.007 997 HA PRO 127 HA PRO 127 6.342 -14.371 -17.612 998 HB2 PRO 127 2HB PRO 127 9.168 -14.816 -17.023 999 HB3 PRO 127 1HB PRO 127 8.410 -13.524 -17.955 1000 HG2 PRO 127 2HG PRO 127 9.556 -13.096 -15.545 1001 HG3 PRO 127 1HG PRO 127 8.161 -12.165 -16.120 1002 HD2 PRO 127 2HD PRO 127 8.237 -14.469 -14.204 1003 HD3 PRO 127 1HD PRO 127 7.301 -12.960 -14.113 1004 H ALA 128 HN ALA 128 5.258 -16.398 -17.639 1005 HA ALA 128 HA ALA 128 7.090 -18.708 -17.536 1006 HB1 ALA 128 1HB ALA 128 4.071 -18.691 -17.519 1007 HB2 ALA 128 2HB ALA 128 5.109 -18.933 -16.114 1008 HB3 ALA 128 3HB ALA 128 5.103 -20.117 -17.420 1009 H ALA 129 HN ALA 129 5.062 -16.743 -19.517 1010 HA ALA 129 HA ALA 129 5.544 -18.443 -21.858 1011 HB1 ALA 129 1HB ALA 129 3.239 -17.702 -21.490 1012 HB2 ALA 129 2HB ALA 129 3.892 -17.037 -22.986 1013 HB3 ALA 129 3HB ALA 129 3.768 -16.021 -21.550 1014 H GLN 130 HN GLN 130 6.114 -17.226 -23.898 1015 HA GLN 130 HA GLN 130 8.545 -15.829 -23.496 1016 HB2 GLN 130 2HB GLN 130 6.866 -16.175 -25.980 1017 HB3 GLN 130 1HB GLN 130 8.474 -15.467 -25.965 1018 HG2 GLN 130 2HG GLN 130 9.339 -17.600 -25.037 1019 HG3 GLN 130 1HG GLN 130 7.728 -18.288 -25.250 1020 HE21 GLN 130 1HE2 GLN 130 10.578 -17.105 -26.835 1021 HE22 GLN 130 2HE2 GLN 130 10.210 -17.733 -28.408 1022 H GLU 131 HN GLU 131 8.858 -13.798 -23.032 1023 HA GLU 131 HA GLU 131 8.755 -11.552 -23.003 1024 HB2 GLU 131 2HB GLU 131 6.937 -12.006 -25.353 1025 HB3 GLU 131 1HB GLU 131 7.341 -10.396 -24.771 1026 HG2 GLU 131 2HG GLU 131 9.274 -12.471 -25.772 1027 HG3 GLU 131 1HG GLU 131 8.767 -11.008 -26.620 1028 H THR 132 HN THR 132 7.960 -10.548 -21.365 1029 HA THR 132 HA THR 132 5.081 -10.673 -20.805 1030 HB THR 132 HB THR 132 5.884 -9.507 -18.626 1031 HG1 THR 132 1HG THR 132 8.020 -9.074 -19.296 1032 HG21 THR 132 3HG2 THR 132 6.623 -12.380 -19.199 1033 HG22 THR 132 1HG2 THR 132 5.034 -11.796 -18.704 1034 HG23 THR 132 2HG2 THR 132 6.402 -11.675 -17.597 1035 H VAL 133 HN VAL 133 5.834 -9.175 -22.981 1036 HA VAL 133 HA VAL 133 6.440 -6.486 -22.510 1037 HB VAL 133 HB VAL 133 5.461 -6.048 -24.753 1038 HG11 VAL 133 1HG1 VAL 133 7.272 -8.455 -24.568 1039 HG12 VAL 133 2HG1 VAL 133 7.779 -6.767 -24.525 1040 HG13 VAL 133 3HG1 VAL 133 7.063 -7.435 -25.991 1041 HG21 VAL 133 3HG2 VAL 133 4.657 -7.939 -26.088 1042 HG22 VAL 133 1HG2 VAL 133 3.622 -7.649 -24.689 1043 HG23 VAL 133 2HG2 VAL 133 4.774 -8.986 -24.674 1044 H GLN 134 HN GLN 134 5.163 -4.642 -22.449 1045 HA GLN 134 HA GLN 134 2.377 -5.068 -21.614 1046 HB2 GLN 134 2HB GLN 134 3.800 -4.826 -19.638 1047 HB3 GLN 134 1HB GLN 134 4.456 -3.327 -20.273 1048 HG2 GLN 134 2HG GLN 134 2.303 -2.252 -20.052 1049 HG3 GLN 134 1HG GLN 134 1.580 -3.767 -19.507 1050 HE21 GLN 134 1HE2 GLN 134 2.006 -4.511 -17.446 1051 HE22 GLN 134 2HE2 GLN 134 2.750 -3.528 -16.225 1052 H LEU 135 HN LEU 135 4.679 -2.408 -22.170 1053 HA LEU 135 HA LEU 135 4.673 -0.607 -23.526 1054 HG LEU 135 HG LEU 135 4.178 -2.117 -26.858 1055 HB2 LEU 135 2HB LEU 135 2.575 -2.221 -24.953 1056 HB3 LEU 135 1HB LEU 135 2.978 -0.597 -25.469 1057 HD11 LEU 135 1HD1 LEU 135 5.404 -0.129 -26.216 1058 HD12 LEU 135 2HD1 LEU 135 6.501 -1.499 -26.411 1059 HD13 LEU 135 3HD1 LEU 135 6.040 -0.959 -24.795 1060 HD21 LEU 135 3HD2 LEU 135 5.245 -3.378 -24.339 1061 HD22 LEU 135 1HD2 LEU 135 5.737 -3.786 -25.983 1062 HD23 LEU 135 2HD2 LEU 135 4.084 -4.096 -25.453 1063 H GLU 136 HN GLU 136 3.655 1.375 -23.878 1064 HA GLU 136 HA GLU 136 2.202 3.093 -23.626 1065 HB2 GLU 136 2HB GLU 136 0.478 1.409 -24.365 1066 HB3 GLU 136 1HB GLU 136 0.133 1.119 -22.668 1067 HG2 GLU 136 2HG GLU 136 -0.691 3.301 -22.356 1068 HG3 GLU 136 1HG GLU 136 -0.035 3.848 -23.900 1069 H HIS 137 HN HIS 137 1.984 0.740 -20.974 1070 HA HIS 137 HA HIS 137 1.944 2.865 -19.001 1071 HD1 HIS 137 1HD HIS 137 3.537 -0.435 -16.538 1072 HD2 HIS 137 2HD HIS 137 0.725 2.613 -16.260 1073 HE1 HIS 137 1HE HIS 137 3.576 0.305 -14.132 1074 HE2 HIS 137 2HE HIS 137 2.003 2.275 -14.032 1075 HB2 HIS 137 2HB HIS 137 0.757 0.749 -18.536 1076 HB3 HIS 137 1HB HIS 137 2.278 -0.130 -18.656 1077 H HIS 138 HN HIS 138 3.689 3.627 -17.901 1078 HA HIS 138 HA HIS 138 6.135 3.499 -19.298 1079 HD1 HIS 138 1HD HIS 138 4.459 6.963 -16.759 1080 HD2 HIS 138 2HD HIS 138 6.017 5.665 -20.393 1081 HE1 HIS 138 1HE HIS 138 3.783 8.699 -18.448 1082 HE2 HIS 138 2HE HIS 138 4.769 7.918 -20.637 1083 HB2 HIS 138 2HB HIS 138 5.467 4.688 -16.605 1084 HB3 HIS 138 1HB HIS 138 7.022 4.890 -17.408 1085 H HIS 139 HN HIS 139 7.975 2.457 -19.006 1086 HA HIS 139 HA HIS 139 8.317 0.875 -16.544 1087 HD1 HIS 139 1HD HIS 139 7.364 -1.615 -20.068 1088 HD2 HIS 139 2HD HIS 139 7.957 -1.547 -15.951 1089 HE1 HIS 139 1HE HIS 139 5.880 -3.413 -19.138 1090 HE2 HIS 139 2HE HIS 139 6.414 -3.494 -16.678 1091 HB2 HIS 139 2HB HIS 139 8.932 0.166 -19.389 1092 HB3 HIS 139 1HB HIS 139 9.963 -0.471 -18.111 1093 H HIS 140 HN HIS 140 10.523 1.716 -19.205 1094 HA HIS 140 HA HIS 140 12.591 2.666 -19.219 1095 HD1 HIS 140 1HD HIS 140 13.840 6.298 -17.770 1096 HD2 HIS 140 2HD HIS 140 11.384 4.757 -20.766 1097 HE1 HIS 140 1HE HIS 140 14.317 7.668 -19.823 1098 HE2 HIS 140 2HE HIS 140 12.642 6.880 -21.532 1099 HB2 HIS 140 2HB HIS 140 10.882 4.416 -17.742 1100 HB3 HIS 140 1HB HIS 140 12.456 4.412 -16.956 1101 H HIS 141 HN HIS 141 14.262 3.587 -17.216 1102 HA HIS 141 HA HIS 141 14.297 1.463 -15.179 1103 HD1 HIS 141 1HD HIS 141 14.544 -0.216 -16.623 1104 HD2 HIS 141 2HD HIS 141 18.247 1.104 -17.985 1105 HE1 HIS 141 1HE HIS 141 15.259 -1.882 -18.369 1106 HE2 HIS 141 2HE HIS 141 17.427 -0.972 -19.285 1107 HB2 HIS 141 2HB HIS 141 16.694 2.838 -16.425 1108 HB3 HIS 141 1HB HIS 141 16.764 1.702 -15.081 1109 H HIS 142 HN HIS 142 15.523 4.688 -15.965 1110 HA HIS 142 HA HIS 142 13.897 5.902 -13.996 1111 HD1 HIS 142 1HD HIS 142 17.711 3.965 -12.548 1112 HD2 HIS 142 2HD HIS 142 17.958 7.590 -14.568 1113 HE1 HIS 142 1HE HIS 142 20.099 4.159 -13.304 1114 HE2 HIS 142 2HE HIS 142 20.273 6.464 -14.306 1115 HB2 HIS 142 2HB HIS 142 15.742 6.967 -12.685 1116 HB3 HIS 142 1HB HIS 142 15.599 5.237 -12.414 Start of MODEL 16 1 HA MET 1 HA MET 1 11.485 5.617 16.919 2 H1 MET 1 1HT MET 1 12.653 4.201 18.479 3 H2 MET 1 2HT MET 1 12.156 2.824 17.620 4 H3 MET 1 3HT MET 1 11.005 3.812 18.382 5 HB2 MET 1 2HB MET 1 13.869 5.128 16.597 6 HB3 MET 1 1HB MET 1 13.460 3.700 15.657 7 HG2 MET 1 2HG MET 1 12.490 5.059 13.925 8 HG3 MET 1 1HG MET 1 12.726 6.517 14.887 9 HE1 MET 1 3HE MET 1 16.609 6.884 14.931 10 HE2 MET 1 1HE MET 1 15.622 6.056 16.137 11 HE3 MET 1 2HE MET 1 15.065 7.574 15.432 12 H ALA 2 HN ALA 2 9.345 5.200 16.545 13 HA ALA 2 HA ALA 2 8.795 3.849 14.029 14 HB1 ALA 2 1HB ALA 2 6.976 2.497 14.921 15 HB2 ALA 2 2HB ALA 2 7.331 3.071 16.552 16 HB3 ALA 2 3HB ALA 2 8.502 2.069 15.693 17 H ASN 3 HN ASN 3 8.313 6.282 16.243 18 HA ASN 3 HA ASN 3 7.078 8.168 16.294 19 HB2 ASN 3 2HB ASN 3 7.397 8.234 13.835 20 HB3 ASN 3 1HB ASN 3 5.932 7.279 13.639 21 HD21 ASN 3 1HD2 ASN 3 4.942 8.886 12.440 22 HD22 ASN 3 2HD2 ASN 3 4.344 10.337 13.161 23 H ASP 4 HN ASP 4 4.835 5.948 14.659 24 HA ASP 4 HA ASP 4 2.719 5.281 15.157 25 HB2 ASP 4 2HB ASP 4 4.075 3.796 16.567 26 HB3 ASP 4 1HB ASP 4 3.977 4.951 17.891 27 H THR 5 HN THR 5 1.877 7.457 14.807 28 HA THR 5 HA THR 5 0.598 8.461 17.244 29 HB THR 5 HB THR 5 0.799 10.792 16.215 30 HG1 THR 5 1HG THR 5 1.543 10.337 14.169 31 HG21 THR 5 3HG2 THR 5 2.059 10.174 18.194 32 HG22 THR 5 1HG2 THR 5 3.069 11.143 17.123 33 HG23 THR 5 2HG2 THR 5 3.289 9.394 17.199 34 HA PRO 6 HA PRO 6 -2.955 8.295 14.506 35 HB2 PRO 6 2HB PRO 6 -4.528 9.503 16.598 36 HB3 PRO 6 1HB PRO 6 -4.534 7.825 16.055 37 HG2 PRO 6 2HG PRO 6 -3.623 8.643 18.511 38 HG3 PRO 6 1HG PRO 6 -3.095 7.160 17.695 39 HD2 PRO 6 2HD PRO 6 -1.725 9.817 17.878 40 HD3 PRO 6 1HD PRO 6 -1.032 8.182 17.957 41 H PHE 7 HN PHE 7 -2.382 9.886 13.035 42 HA PHE 7 HA PHE 7 -2.213 12.635 13.648 43 HD1 PHE 7 1HD PHE 7 -0.069 13.745 12.011 44 HD2 PHE 7 2HD PHE 7 -0.803 9.609 11.341 45 HE1 PHE 7 1HE PHE 7 2.352 13.308 12.083 46 HE2 PHE 7 2HE PHE 7 1.614 9.164 11.413 47 HZ PHE 7 HZ PHE 7 3.196 11.011 11.785 48 HB2 PHE 7 2HB PHE 7 -2.531 11.219 11.001 49 HB3 PHE 7 1HB PHE 7 -2.224 12.944 11.163 50 H SER 8 HN SER 8 -4.825 10.660 12.328 51 HA SER 8 HA SER 8 -6.672 12.836 12.941 52 HG SER 8 HG SER 8 -6.119 11.468 9.223 53 HB2 SER 8 2HB SER 8 -7.859 12.477 10.782 54 HB3 SER 8 1HB SER 8 -6.226 13.105 10.565 55 H ALA 9 HN ALA 9 -8.977 12.054 12.819 56 HA ALA 9 HA ALA 9 -9.317 9.774 14.433 57 HB1 ALA 9 1HB ALA 9 -11.379 11.186 12.739 58 HB2 ALA 9 2HB ALA 9 -10.908 11.640 14.377 59 HB3 ALA 9 3HB ALA 9 -11.707 10.094 14.086 60 H LEU 10 HN LEU 10 -9.906 10.283 10.967 61 HA LEU 10 HA LEU 10 -10.823 7.712 10.351 62 HG LEU 10 HG LEU 10 -10.867 8.747 6.804 63 HB2 LEU 10 2HB LEU 10 -10.899 9.765 8.895 64 HB3 LEU 10 1HB LEU 10 -9.196 9.533 8.568 65 HD11 LEU 10 1HD1 LEU 10 -9.535 6.786 6.220 66 HD12 LEU 10 2HD1 LEU 10 -8.829 6.779 7.836 67 HD13 LEU 10 3HD1 LEU 10 -8.514 8.126 6.741 68 HD21 LEU 10 3HD2 LEU 10 -11.799 6.517 7.120 69 HD22 LEU 10 1HD2 LEU 10 -12.441 7.652 8.308 70 HD23 LEU 10 2HD2 LEU 10 -11.199 6.491 8.776 71 H TRP 11 HN TRP 11 -7.551 9.057 10.364 72 HA TRP 11 HA TRP 11 -6.131 6.827 9.498 73 HD1 TRP 11 1HD TRP 11 -3.657 8.243 13.050 74 HE1 TRP 11 1HE TRP 11 -1.403 7.028 12.876 75 HE3 TRP 11 3HE TRP 11 -3.795 7.003 8.096 76 HZ2 TRP 11 2HZ TRP 11 0.122 5.712 10.898 77 HZ3 TRP 11 3HZ TRP 11 -1.898 5.765 7.141 78 HH2 TRP 11 2HH TRP 11 0.019 5.132 8.513 79 HB2 TRP 11 2HB TRP 11 -5.013 8.923 9.663 80 HB3 TRP 11 1HB TRP 11 -5.406 9.080 11.370 81 H GLN 12 HN GLN 12 -6.909 7.811 12.827 82 HA GLN 12 HA GLN 12 -5.812 5.617 14.153 83 HB2 GLN 12 2HB GLN 12 -6.535 7.608 15.334 84 HB3 GLN 12 1HB GLN 12 -8.210 7.302 14.890 85 HG2 GLN 12 2HG GLN 12 -8.154 5.226 16.209 86 HG3 GLN 12 1HG GLN 12 -6.501 5.603 16.693 87 HE21 GLN 12 1HE2 GLN 12 -6.134 7.194 18.202 88 HE22 GLN 12 2HE2 GLN 12 -7.400 7.912 19.139 89 H ARG 13 HN ARG 13 -8.970 5.979 12.607 90 HA ARG 13 HA ARG 13 -10.044 3.550 13.630 91 HE ARG 13 HE ARG 13 -10.996 3.273 14.661 92 HB2 ARG 13 2HB ARG 13 -10.861 5.213 11.245 93 HB3 ARG 13 1HB ARG 13 -11.764 3.825 11.836 94 HG2 ARG 13 2HG ARG 13 -11.159 6.266 13.486 95 HG3 ARG 13 1HG ARG 13 -12.648 6.031 12.574 96 HD2 ARG 13 2HD ARG 13 -12.965 5.449 14.921 97 HD3 ARG 13 1HD ARG 13 -13.142 4.028 13.897 98 HH11 ARG 13 1HH1 ARG 13 -12.326 5.996 16.424 99 HH12 ARG 13 2HH1 ARG 13 -11.317 5.736 17.816 100 HH21 ARG 13 1HH2 ARG 13 -9.670 2.947 16.469 101 HH22 ARG 13 2HH2 ARG 13 -9.790 4.013 17.842 102 H LEU 14 HN LEU 14 -8.106 4.345 10.829 103 HA LEU 14 HA LEU 14 -8.387 1.839 9.518 104 HG LEU 14 HG LEU 14 -8.176 4.802 8.541 105 HB2 LEU 14 2HB LEU 14 -6.108 3.824 9.449 106 HB3 LEU 14 1HB LEU 14 -6.280 2.459 8.364 107 HD11 LEU 14 1HD1 LEU 14 -7.288 5.398 6.350 108 HD12 LEU 14 2HD1 LEU 14 -6.159 4.045 6.430 109 HD13 LEU 14 3HD1 LEU 14 -6.011 5.385 7.565 110 HD21 LEU 14 3HD2 LEU 14 -8.124 2.432 6.671 111 HD22 LEU 14 1HD2 LEU 14 -9.193 3.827 6.530 112 HD23 LEU 14 2HD2 LEU 14 -9.329 2.750 7.919 113 H LEU 15 HN LEU 15 -6.172 3.121 11.933 114 HA LEU 15 HA LEU 15 -4.450 0.907 12.129 115 HG LEU 15 HG LEU 15 -4.280 4.094 12.378 116 HB2 LEU 15 2HB LEU 15 -5.213 2.882 14.283 117 HB3 LEU 15 1HB LEU 15 -3.818 1.822 14.313 118 HD11 LEU 15 1HD1 LEU 15 -2.377 5.119 13.524 119 HD12 LEU 15 2HD1 LEU 15 -2.337 3.770 14.659 120 HD13 LEU 15 3HD1 LEU 15 -3.732 4.847 14.620 121 HD21 LEU 15 3HD2 LEU 15 -3.078 2.272 11.307 122 HD22 LEU 15 1HD2 LEU 15 -1.944 2.206 12.656 123 HD23 LEU 15 2HD2 LEU 15 -1.997 3.630 11.617 124 H THR 16 HN THR 16 -7.610 1.542 13.426 125 HA THR 16 HA THR 16 -7.724 -0.465 15.383 126 HB THR 16 HB THR 16 -9.979 0.558 13.642 127 HG1 THR 16 1HG THR 16 -8.640 1.554 15.908 128 HG21 THR 16 3HG2 THR 16 -10.562 -1.498 14.855 129 HG22 THR 16 1HG2 THR 16 -11.430 -0.105 15.500 130 HG23 THR 16 2HG2 THR 16 -10.038 -0.755 16.366 131 H ARG 17 HN ARG 17 -8.463 -0.541 11.904 132 HA ARG 17 HA ARG 17 -9.152 -3.306 11.877 133 HE ARG 17 HE ARG 17 -11.349 -4.305 8.656 134 HB2 ARG 17 2HB ARG 17 -9.999 -1.923 10.114 135 HB3 ARG 17 1HB ARG 17 -8.386 -1.373 9.685 136 HG2 ARG 17 2HG ARG 17 -7.854 -3.359 8.614 137 HG3 ARG 17 1HG ARG 17 -9.097 -4.270 9.473 138 HD2 ARG 17 2HD ARG 17 -9.779 -2.068 7.539 139 HD3 ARG 17 1HD ARG 17 -9.525 -3.731 7.008 140 HH11 ARG 17 1HH1 ARG 17 -11.205 -1.167 7.087 141 HH12 ARG 17 2HH1 ARG 17 -12.917 -0.889 7.217 142 HH21 ARG 17 1HH2 ARG 17 -13.573 -3.958 8.793 143 HH22 ARG 17 2HH2 ARG 17 -14.269 -2.490 8.175 144 H GLY 18 HN GLY 18 -6.185 -1.479 11.453 145 HA2 GLY 18 2HA GLY 18 -4.322 -2.841 12.544 146 HA3 GLY 18 1HA GLY 18 -4.709 -4.024 11.303 147 H TRP 19 HN TRP 19 -2.977 -4.040 10.069 148 HA TRP 19 HA TRP 19 -1.625 -3.477 8.359 149 HD1 TRP 19 1HD TRP 19 -2.973 -4.573 7.121 150 HE1 TRP 19 1HE TRP 19 -5.112 -5.208 5.844 151 HE3 TRP 19 3HE TRP 19 -5.192 0.011 6.954 152 HZ2 TRP 19 2HZ TRP 19 -7.437 -3.931 4.887 153 HZ3 TRP 19 3HZ TRP 19 -7.376 0.229 5.835 154 HH2 TRP 19 2HH TRP 19 -8.470 -1.704 4.819 155 HB2 TRP 19 2HB TRP 19 -3.258 -0.943 8.295 156 HB3 TRP 19 1HB TRP 19 -2.074 -1.408 7.075 157 H GLN 20 HN GLN 20 0.222 -2.221 7.787 158 HA GLN 20 HA GLN 20 1.574 -1.312 10.184 159 HB2 GLN 20 2HB GLN 20 2.405 -2.171 7.444 160 HB3 GLN 20 1HB GLN 20 3.510 -1.222 8.410 161 HG2 GLN 20 2HG GLN 20 4.019 -3.560 8.637 162 HG3 GLN 20 1HG GLN 20 3.436 -2.923 10.170 163 HE21 GLN 20 1HE2 GLN 20 1.486 -3.618 10.980 164 HE22 GLN 20 2HE2 GLN 20 0.643 -4.988 10.343 165 HA PRO 21 HA PRO 21 1.004 2.975 8.865 166 HB2 PRO 21 2HB PRO 21 2.417 3.590 11.354 167 HB3 PRO 21 1HB PRO 21 0.770 4.008 10.876 168 HG2 PRO 21 2HG PRO 21 1.297 2.199 12.812 169 HG3 PRO 21 1HG PRO 21 -0.115 2.068 11.749 170 HD2 PRO 21 2HD PRO 21 2.504 0.621 11.605 171 HD3 PRO 21 1HD PRO 21 0.857 -0.005 11.365 172 H VAL 22 HN VAL 22 2.401 3.608 7.322 173 HA VAL 22 HA VAL 22 5.284 3.520 7.942 174 HB VAL 22 HB VAL 22 5.685 3.337 5.502 175 HG11 VAL 22 1HG1 VAL 22 5.023 0.981 5.288 176 HG12 VAL 22 2HG1 VAL 22 3.957 1.165 6.682 177 HG13 VAL 22 3HG1 VAL 22 5.703 1.335 6.877 178 HG21 VAL 22 3HG2 VAL 22 3.612 4.321 4.691 179 HG22 VAL 22 1HG2 VAL 22 2.696 2.965 5.348 180 HG23 VAL 22 2HG2 VAL 22 3.832 2.703 4.024 181 H GLU 23 HN GLU 23 6.595 5.108 6.720 182 HA GLU 23 HA GLU 23 5.151 7.652 6.341 183 HB2 GLU 23 2HB GLU 23 7.970 7.256 7.370 184 HB3 GLU 23 1HB GLU 23 7.189 8.806 7.093 185 HG2 GLU 23 2HG GLU 23 5.531 8.252 8.816 186 HG3 GLU 23 1HG GLU 23 6.378 6.732 9.115 187 H ALA 24 HN ALA 24 6.732 9.209 5.035 188 HA ALA 24 HA ALA 24 7.037 8.026 2.471 189 HB1 ALA 24 1HB ALA 24 8.019 10.687 3.500 190 HB2 ALA 24 2HB ALA 24 6.464 10.376 2.727 191 HB3 ALA 24 3HB ALA 24 7.959 10.203 1.807 192 H SER 25 HN SER 25 9.199 8.656 5.128 193 HA SER 25 HA SER 25 11.554 8.072 3.523 194 HG SER 25 HG SER 25 11.377 9.109 7.372 195 HB2 SER 25 2HB SER 25 12.676 8.604 5.801 196 HB3 SER 25 1HB SER 25 11.908 9.922 4.914 197 H THR 26 HN THR 26 9.342 6.237 5.193 198 HA THR 26 HA THR 26 11.402 4.235 5.855 199 HB THR 26 HB THR 26 9.796 3.423 7.643 200 HG1 THR 26 1HG THR 26 8.534 5.511 8.321 201 HG21 THR 26 3HG2 THR 26 11.830 4.646 8.206 202 HG22 THR 26 1HG2 THR 26 10.508 5.120 9.276 203 HG23 THR 26 2HG2 THR 26 10.995 6.178 7.951 204 H VAL 27 HN VAL 27 8.726 4.901 3.954 205 HA VAL 27 HA VAL 27 7.326 2.463 4.063 206 HB VAL 27 HB VAL 27 6.297 4.458 3.134 207 HG11 VAL 27 1HG1 VAL 27 6.881 5.261 0.871 208 HG12 VAL 27 2HG1 VAL 27 8.267 4.170 0.865 209 HG13 VAL 27 3HG1 VAL 27 8.187 5.487 2.033 210 HG21 VAL 27 3HG2 VAL 27 5.276 3.462 1.119 211 HG22 VAL 27 1HG2 VAL 27 5.372 2.327 2.468 212 HG23 VAL 27 2HG2 VAL 27 6.520 2.211 1.134 213 H ASP 28 HN ASP 28 10.017 3.522 2.004 214 HA ASP 28 HA ASP 28 9.866 1.176 0.354 215 HB2 ASP 28 2HB ASP 28 11.799 2.033 -0.786 216 HB3 ASP 28 1HB ASP 28 10.725 3.387 -0.456 217 H ASP 29 HN ASP 29 11.686 2.188 3.168 218 HA ASP 29 HA ASP 29 13.549 0.067 3.247 219 HB2 ASP 29 2HB ASP 29 13.809 2.027 4.673 220 HB3 ASP 29 1HB ASP 29 12.300 1.664 5.497 221 H TRP 30 HN TRP 30 10.289 0.450 4.461 222 HA TRP 30 HA TRP 30 10.006 -2.053 5.716 223 HD1 TRP 30 1HD TRP 30 7.599 -2.321 7.631 224 HE1 TRP 30 1HE TRP 30 5.479 -3.761 7.391 225 HE3 TRP 30 3HE TRP 30 6.417 -1.219 2.784 226 HZ2 TRP 30 2HZ TRP 30 3.562 -4.353 5.399 227 HZ3 TRP 30 3HZ TRP 30 4.427 -2.262 1.783 228 HH2 TRP 30 2HH TRP 30 3.029 -3.798 3.064 229 HB2 TRP 30 2HB TRP 30 8.461 -0.221 6.118 230 HB3 TRP 30 1HB TRP 30 7.973 -0.217 4.430 231 H ILE 31 HN ILE 31 9.134 -0.957 2.450 232 HA ILE 31 HA ILE 31 8.100 -3.358 1.462 233 HB ILE 31 HB ILE 31 9.544 -1.163 -0.037 234 HG12 ILE 31 2HG1 ILE 31 6.580 -1.662 0.283 235 HG13 ILE 31 1HG1 ILE 31 7.496 -0.509 1.248 236 HG21 ILE 31 1HG2 ILE 31 9.512 -3.205 -1.355 237 HG22 ILE 31 2HG2 ILE 31 8.396 -2.020 -2.035 238 HG23 ILE 31 3HG2 ILE 31 7.778 -3.372 -1.087 239 HD11 ILE 31 3HD1 ILE 31 8.055 0.733 -0.775 240 HD12 ILE 31 1HD1 ILE 31 6.310 0.595 -0.553 241 HD13 ILE 31 2HD1 ILE 31 7.132 -0.422 -1.737 242 H LYS 32 HN LYS 32 11.406 -2.123 1.492 243 HA LYS 32 HA LYS 32 12.663 -4.046 -0.054 244 HB2 LYS 32 2HB LYS 32 13.894 -2.137 0.537 245 HB3 LYS 32 1HB LYS 32 13.564 -2.344 2.247 246 HG2 LYS 32 2HG LYS 32 15.092 -4.527 1.010 247 HG3 LYS 32 1HG LYS 32 15.904 -2.964 1.044 248 HD2 LYS 32 2HD LYS 32 14.752 -4.433 3.409 249 HD3 LYS 32 1HD LYS 32 16.461 -4.229 3.036 250 HE2 LYS 32 2HE LYS 32 16.164 -1.777 3.230 251 HE3 LYS 32 1HE LYS 32 14.495 -2.046 3.721 252 HZ1 LYS 32 3HZ LYS 32 15.439 -3.411 5.594 253 HZ2 LYS 32 1HZ LYS 32 15.733 -1.740 5.674 254 HZ3 LYS 32 2HZ LYS 32 16.963 -2.798 5.175 255 H ARG 33 HN ARG 33 11.663 -4.222 3.321 256 HA ARG 33 HA ARG 33 13.167 -6.636 3.822 257 HE ARG 33 HE ARG 33 10.860 -7.994 8.702 258 HB2 ARG 33 2HB ARG 33 12.709 -4.997 5.601 259 HB3 ARG 33 1HB ARG 33 10.993 -5.305 5.444 260 HG2 ARG 33 2HG ARG 33 11.317 -7.610 6.142 261 HG3 ARG 33 1HG ARG 33 13.053 -7.341 6.267 262 HD2 ARG 33 2HD ARG 33 12.768 -5.833 8.082 263 HD3 ARG 33 1HD ARG 33 11.023 -5.776 7.842 264 HH11 ARG 33 1HH1 ARG 33 14.042 -6.560 9.040 265 HH12 ARG 33 2HH1 ARG 33 14.571 -7.702 10.244 266 HH21 ARG 33 1HH2 ARG 33 11.535 -9.470 10.305 267 HH22 ARG 33 2HH2 ARG 33 13.142 -9.353 10.967 268 H VAL 34 HN VAL 34 9.770 -5.767 3.437 269 HA VAL 34 HA VAL 34 8.820 -8.434 3.778 270 HB VAL 34 HB VAL 34 6.634 -7.601 3.045 271 HG11 VAL 34 1HG1 VAL 34 6.320 -5.940 4.828 272 HG12 VAL 34 2HG1 VAL 34 8.072 -5.777 4.970 273 HG13 VAL 34 3HG1 VAL 34 7.292 -7.313 5.356 274 HG21 VAL 34 3HG2 VAL 34 8.052 -4.985 2.519 275 HG22 VAL 34 1HG2 VAL 34 6.308 -5.244 2.472 276 HG23 VAL 34 2HG2 VAL 34 7.350 -6.047 1.296 277 H GLY 35 HN GLY 35 9.439 -6.439 0.922 278 HA2 GLY 35 2HA GLY 35 10.098 -7.161 -1.173 279 HA3 GLY 35 1HA GLY 35 9.776 -8.820 -0.685 280 H ASP 36 HN ASP 36 7.267 -8.933 -0.028 281 HA ASP 36 HA ASP 36 5.820 -8.021 -2.418 282 HB2 ASP 36 2HB ASP 36 5.353 -10.636 -0.980 283 HB3 ASP 36 1HB ASP 36 4.700 -10.125 -2.523 284 H GLY 37 HN GLY 37 4.438 -6.500 -1.718 285 HA2 GLY 37 2HA GLY 37 2.484 -7.140 0.286 286 HA3 GLY 37 1HA GLY 37 3.657 -5.950 0.838 287 H VAL 38 HN VAL 38 1.264 -4.975 0.885 288 HA VAL 38 HA VAL 38 1.072 -3.319 -1.531 289 HB VAL 38 HB VAL 38 -1.444 -3.343 -1.248 290 HG11 VAL 38 1HG1 VAL 38 -1.729 -5.447 -2.477 291 HG12 VAL 38 2HG1 VAL 38 -0.091 -5.922 -2.030 292 HG13 VAL 38 3HG1 VAL 38 -0.349 -4.521 -3.069 293 HG21 VAL 38 3HG2 VAL 38 -2.432 -5.285 -0.132 294 HG22 VAL 38 1HG2 VAL 38 -1.541 -4.272 1.005 295 HG23 VAL 38 2HG2 VAL 38 -0.832 -5.780 0.424 296 H ILE 39 HN ILE 39 0.563 -1.208 -1.207 297 HA ILE 39 HA ILE 39 0.283 -0.345 1.601 298 HB ILE 39 HB ILE 39 1.638 1.128 -0.676 299 HG12 ILE 39 2HG1 ILE 39 3.601 0.997 1.034 300 HG13 ILE 39 1HG1 ILE 39 2.684 -0.327 1.741 301 HG21 ILE 39 1HG2 ILE 39 0.449 2.675 0.768 302 HG22 ILE 39 2HG2 ILE 39 2.191 2.847 0.974 303 HG23 ILE 39 3HG2 ILE 39 1.241 1.987 2.185 304 HD11 ILE 39 3HD1 ILE 39 4.388 -1.143 0.219 305 HD12 ILE 39 1HD1 ILE 39 3.690 -0.193 -1.093 306 HD13 ILE 39 2HD1 ILE 39 2.776 -1.522 -0.382 307 H LEU 40 HN LEU 40 -1.427 0.886 2.099 308 HA LEU 40 HA LEU 40 -3.203 1.747 -0.058 309 HG LEU 40 HG LEU 40 -3.749 -0.611 2.044 310 HB2 LEU 40 2HB LEU 40 -3.632 1.635 2.932 311 HB3 LEU 40 1HB LEU 40 -4.823 2.195 1.776 312 HD11 LEU 40 1HD1 LEU 40 -5.385 0.015 3.726 313 HD12 LEU 40 2HD1 LEU 40 -6.059 -1.155 2.591 314 HD13 LEU 40 3HD1 LEU 40 -6.494 0.549 2.462 315 HD21 LEU 40 3HD2 LEU 40 -4.063 -0.079 -0.311 316 HD22 LEU 40 1HD2 LEU 40 -5.691 0.509 0.028 317 HD23 LEU 40 2HD2 LEU 40 -5.306 -1.197 0.249 318 H LEU 41 HN LEU 41 -3.351 3.809 -0.641 319 HA LEU 41 HA LEU 41 -1.748 5.799 0.693 320 HG LEU 41 HG LEU 41 -1.475 4.743 -2.160 321 HB2 LEU 41 2HB LEU 41 -3.578 5.941 -1.703 322 HB3 LEU 41 1HB LEU 41 -2.662 7.308 -1.096 323 HD11 LEU 41 1HD1 LEU 41 -2.512 6.108 -3.903 324 HD12 LEU 41 2HD1 LEU 41 -0.753 6.110 -4.042 325 HD13 LEU 41 3HD1 LEU 41 -1.586 7.507 -3.360 326 HD21 LEU 41 3HD2 LEU 41 -0.179 7.304 -1.237 327 HD22 LEU 41 1HD2 LEU 41 0.654 5.964 -2.028 328 HD23 LEU 41 2HD2 LEU 41 -0.079 5.735 -0.440 329 H SER 42 HN SER 42 -2.755 7.999 1.062 330 HA SER 42 HA SER 42 -4.519 8.007 3.144 331 HG SER 42 HG SER 42 -5.692 10.987 1.936 332 HB2 SER 42 2HB SER 42 -4.051 10.213 3.105 333 HB3 SER 42 1HB SER 42 -3.123 9.896 1.650 334 H SER 43 HN SER 43 -5.309 8.606 -0.269 335 HA SER 43 HA SER 43 -7.161 8.192 -1.508 336 HG SER 43 HG SER 43 -6.219 5.618 0.248 337 HB2 SER 43 2HB SER 43 -8.071 6.563 0.876 338 HB3 SER 43 1HB SER 43 -8.712 6.457 -0.764 339 H ASP 44 HN ASP 44 -7.022 10.407 0.533 340 HA ASP 44 HA ASP 44 -9.854 11.134 0.441 341 HB2 ASP 44 2HB ASP 44 -10.039 11.584 2.740 342 HB3 ASP 44 1HB ASP 44 -9.170 10.053 2.694 343 HA PRO 45 HA PRO 45 -8.118 15.182 -0.318 344 HB2 PRO 45 2HB PRO 45 -10.003 16.841 0.648 345 HB3 PRO 45 1HB PRO 45 -10.273 15.845 -0.785 346 HG2 PRO 45 2HG PRO 45 -11.200 15.424 2.021 347 HG3 PRO 45 1HG PRO 45 -12.060 15.137 0.497 348 HD2 PRO 45 2HD PRO 45 -10.828 13.172 1.987 349 HD3 PRO 45 1HD PRO 45 -11.155 13.058 0.247 350 H ARG 46 HN ARG 46 -9.189 14.564 2.972 351 HA ARG 46 HA ARG 46 -6.913 15.352 4.305 352 HE ARG 46 HE ARG 46 -6.012 19.075 7.417 353 HB2 ARG 46 2HB ARG 46 -7.452 17.670 3.533 354 HB3 ARG 46 1HB ARG 46 -8.988 17.564 4.384 355 HG2 ARG 46 2HG ARG 46 -7.758 17.222 6.496 356 HG3 ARG 46 1HG ARG 46 -6.248 17.441 5.619 357 HD2 ARG 46 2HD ARG 46 -6.922 19.709 5.015 358 HD3 ARG 46 1HD ARG 46 -8.446 19.487 5.877 359 HH11 ARG 46 1HH1 ARG 46 -8.563 21.310 6.520 360 HH12 ARG 46 2HH1 ARG 46 -8.373 22.286 7.950 361 HH21 ARG 46 1HH2 ARG 46 -5.778 20.342 9.298 362 HH22 ARG 46 2HH2 ARG 46 -6.808 21.727 9.535 363 H ARG 47 HN ARG 47 -10.396 15.334 4.284 364 HA ARG 47 HA ARG 47 -10.374 13.516 6.563 365 HE ARG 47 HE ARG 47 -12.127 18.039 6.988 366 HB2 ARG 47 2HB ARG 47 -12.253 15.885 6.323 367 HB3 ARG 47 1HB ARG 47 -12.384 14.609 7.520 368 HG2 ARG 47 2HG ARG 47 -10.275 15.295 8.509 369 HG3 ARG 47 1HG ARG 47 -10.093 16.546 7.276 370 HD2 ARG 47 2HD ARG 47 -12.253 16.355 9.372 371 HD3 ARG 47 1HD ARG 47 -10.958 17.551 9.289 372 HH11 ARG 47 1HH1 ARG 47 -13.626 17.367 10.078 373 HH12 ARG 47 2HH1 ARG 47 -15.063 18.277 9.732 374 HH21 ARG 47 1HH2 ARG 47 -14.041 19.224 6.513 375 HH22 ARG 47 2HH2 ARG 47 -15.309 19.311 7.703 376 H THR 48 HN THR 48 -11.739 11.816 6.203 377 HA THR 48 HA THR 48 -13.775 12.179 4.130 378 HB THR 48 HB THR 48 -12.125 10.872 3.039 379 HG1 THR 48 1HG THR 48 -13.305 8.971 2.638 380 HG21 THR 48 3HG2 THR 48 -11.227 8.777 3.936 381 HG22 THR 48 1HG2 THR 48 -12.127 9.028 5.433 382 HG23 THR 48 2HG2 THR 48 -10.835 10.141 4.982 383 HA PRO 49 HA PRO 49 -16.012 10.526 7.731 384 HB2 PRO 49 2HB PRO 49 -17.811 12.482 7.965 385 HB3 PRO 49 1HB PRO 49 -16.164 12.688 8.570 386 HG2 PRO 49 2HG PRO 49 -17.431 13.780 6.107 387 HG3 PRO 49 1HG PRO 49 -16.216 14.515 7.166 388 HD2 PRO 49 2HD PRO 49 -15.730 13.204 4.723 389 HD3 PRO 49 1HD PRO 49 -14.517 13.655 5.935 390 H GLU 50 HN GLU 50 -16.581 11.069 4.502 391 HA GLU 50 HA GLU 50 -19.384 10.233 4.556 392 HB2 GLU 50 2HB GLU 50 -18.816 12.202 3.208 393 HB3 GLU 50 1HB GLU 50 -17.650 11.255 2.297 394 HG2 GLU 50 2HG GLU 50 -19.444 9.869 1.415 395 HG3 GLU 50 1HG GLU 50 -20.624 10.788 2.353 396 H VAL 51 HN VAL 51 -20.019 8.265 3.881 397 HA VAL 51 HA VAL 51 -17.970 6.306 3.305 398 HB VAL 51 HB VAL 51 -20.959 5.869 3.317 399 HG11 VAL 51 1HG1 VAL 51 -19.696 4.087 2.248 400 HG12 VAL 51 2HG1 VAL 51 -20.363 3.538 3.786 401 HG13 VAL 51 3HG1 VAL 51 -18.654 3.956 3.665 402 HG21 VAL 51 3HG2 VAL 51 -19.016 5.586 5.605 403 HG22 VAL 51 1HG2 VAL 51 -20.721 5.139 5.632 404 HG23 VAL 51 2HG2 VAL 51 -20.254 6.831 5.448 405 H SER 52 HN SER 52 -17.407 7.588 1.329 406 HA SER 52 HA SER 52 -19.082 6.980 -0.974 407 HG SER 52 HG SER 52 -16.102 9.643 -0.542 408 HB2 SER 52 2HB SER 52 -17.156 8.202 -2.176 409 HB3 SER 52 1HB SER 52 -18.162 9.155 -1.086 410 H ASP 53 HN ASP 53 -15.750 6.432 0.101 411 HA ASP 53 HA ASP 53 -15.896 3.719 -0.953 412 HB2 ASP 53 2HB ASP 53 -14.754 5.424 -2.609 413 HB3 ASP 53 1HB ASP 53 -13.389 5.276 -1.502 414 H ASN 54 HN ASN 54 -14.451 2.288 0.090 415 HA ASN 54 HA ASN 54 -12.924 3.259 2.339 416 HB2 ASN 54 2HB ASN 54 -14.175 1.895 4.003 417 HB3 ASN 54 1HB ASN 54 -15.112 3.232 3.355 418 HD21 ASN 54 1HD2 ASN 54 -16.017 0.811 4.654 419 HD22 ASN 54 2HD2 ASN 54 -17.082 0.029 3.536 420 HA PRO 55 HA PRO 55 -10.629 -0.285 1.040 421 HB2 PRO 55 2HB PRO 55 -8.952 0.122 3.383 422 HB3 PRO 55 1HB PRO 55 -8.561 0.355 1.678 423 HG2 PRO 55 2HG PRO 55 -8.815 2.419 3.423 424 HG3 PRO 55 1HG PRO 55 -9.198 2.560 1.697 425 HD2 PRO 55 2HD PRO 55 -11.044 2.199 4.027 426 HD3 PRO 55 1HD PRO 55 -11.222 3.237 2.595 427 H VAL 56 HN VAL 56 -12.418 -1.708 1.639 428 HA VAL 56 HA VAL 56 -11.716 -3.298 4.030 429 HB VAL 56 HB VAL 56 -14.429 -3.134 2.688 430 HG11 VAL 56 1HG1 VAL 56 -14.050 -5.300 3.693 431 HG12 VAL 56 2HG1 VAL 56 -15.218 -4.390 4.650 432 HG13 VAL 56 3HG1 VAL 56 -13.553 -4.543 5.207 433 HG21 VAL 56 3HG2 VAL 56 -13.941 -1.057 3.831 434 HG22 VAL 56 1HG2 VAL 56 -13.491 -1.937 5.292 435 HG23 VAL 56 2HG2 VAL 56 -15.162 -1.965 4.724 436 H MET 57 HN MET 57 -12.664 -3.278 0.674 437 HA MET 57 HA MET 57 -12.881 -6.060 0.264 438 HB2 MET 57 2HB MET 57 -12.287 -3.881 -1.745 439 HB3 MET 57 1HB MET 57 -12.805 -5.513 -2.135 440 HG2 MET 57 2HG MET 57 -14.702 -4.137 -2.334 441 HG3 MET 57 1HG MET 57 -14.905 -5.049 -0.842 442 HE1 MET 57 3HE MET 57 -16.634 -1.635 -0.014 443 HE2 MET 57 1HE MET 57 -16.819 -3.388 -0.046 444 HE3 MET 57 2HE MET 57 -16.640 -2.491 -1.554 445 H ILE 58 HN ILE 58 -10.173 -4.122 0.733 446 HA ILE 58 HA ILE 58 -8.251 -5.284 -0.933 447 HB ILE 58 HB ILE 58 -8.048 -3.898 1.734 448 HG12 ILE 58 2HG1 ILE 58 -6.818 -2.212 0.320 449 HG13 ILE 58 1HG1 ILE 58 -7.257 -3.166 -1.089 450 HG21 ILE 58 1HG2 ILE 58 -5.601 -3.864 1.474 451 HG22 ILE 58 2HG2 ILE 58 -5.745 -4.973 0.110 452 HG23 ILE 58 3HG2 ILE 58 -6.228 -5.494 1.724 453 HD11 ILE 58 3HD1 ILE 58 -8.731 -1.262 -0.809 454 HD12 ILE 58 1HD1 ILE 58 -9.175 -1.826 0.802 455 HD13 ILE 58 2HD1 ILE 58 -9.617 -2.775 -0.618 456 H ALA 59 HN ALA 59 -9.656 -6.361 2.085 457 HA ALA 59 HA ALA 59 -7.807 -8.382 2.733 458 HB1 ALA 59 1HB ALA 59 -9.505 -7.586 4.297 459 HB2 ALA 59 2HB ALA 59 -9.594 -9.337 4.094 460 HB3 ALA 59 3HB ALA 59 -10.770 -8.294 3.292 461 H GLU 60 HN GLU 60 -10.629 -8.362 0.617 462 HA GLU 60 HA GLU 60 -10.655 -11.152 0.064 463 HB2 GLU 60 2HB GLU 60 -12.559 -9.513 -0.294 464 HB3 GLU 60 1HB GLU 60 -11.696 -8.935 -1.708 465 HG2 GLU 60 2HG GLU 60 -13.244 -10.431 -2.565 466 HG3 GLU 60 1HG GLU 60 -11.749 -11.363 -2.505 467 H LEU 61 HN LEU 61 -9.087 -8.368 -1.340 468 HA LEU 61 HA LEU 61 -8.146 -9.569 -3.725 469 HG LEU 61 HG LEU 61 -6.782 -6.258 -4.564 470 HB2 LEU 61 2HB LEU 61 -8.322 -7.076 -2.966 471 HB3 LEU 61 1HB LEU 61 -6.730 -7.342 -2.298 472 HD11 LEU 61 1HD1 LEU 61 -5.331 -8.895 -4.397 473 HD12 LEU 61 2HD1 LEU 61 -4.774 -7.366 -3.717 474 HD13 LEU 61 3HD1 LEU 61 -4.930 -7.550 -5.465 475 HD21 LEU 61 3HD2 LEU 61 -8.622 -7.550 -5.511 476 HD22 LEU 61 1HD2 LEU 61 -7.636 -9.011 -5.444 477 HD23 LEU 61 2HD2 LEU 61 -7.170 -7.681 -6.505 478 H LEU 62 HN LEU 62 -6.609 -8.898 -0.614 479 HA LEU 62 HA LEU 62 -4.080 -9.931 -1.114 480 HG LEU 62 HG LEU 62 -2.597 -9.784 0.874 481 HB2 LEU 62 2HB LEU 62 -4.879 -8.600 0.890 482 HB3 LEU 62 1HB LEU 62 -5.524 -10.095 1.532 483 HD11 LEU 62 1HD1 LEU 62 -3.171 -8.020 2.437 484 HD12 LEU 62 2HD1 LEU 62 -2.246 -9.281 3.254 485 HD13 LEU 62 3HD1 LEU 62 -3.992 -9.180 3.478 486 HD21 LEU 62 3HD2 LEU 62 -3.415 -12.073 1.188 487 HD22 LEU 62 1HD2 LEU 62 -4.075 -11.623 2.759 488 HD23 LEU 62 2HD2 LEU 62 -2.333 -11.593 2.494 489 H ARG 63 HN ARG 63 -6.956 -11.621 0.130 490 HA ARG 63 HA ARG 63 -5.542 -14.070 0.562 491 HE ARG 63 HE ARG 63 -9.261 -13.071 2.972 492 HB2 ARG 63 2HB ARG 63 -7.710 -15.025 1.105 493 HB3 ARG 63 1HB ARG 63 -7.531 -13.456 1.880 494 HG2 ARG 63 2HG ARG 63 -8.896 -12.439 0.126 495 HG3 ARG 63 1HG ARG 63 -9.084 -14.018 -0.636 496 HD2 ARG 63 2HD ARG 63 -11.044 -13.532 0.669 497 HD3 ARG 63 1HD ARG 63 -10.150 -14.844 1.434 498 HH11 ARG 63 1HH1 ARG 63 -12.288 -12.586 1.285 499 HH12 ARG 63 2HH1 ARG 63 -12.990 -11.637 2.569 500 HH21 ARG 63 1HH2 ARG 63 -10.161 -11.802 4.642 501 HH22 ARG 63 2HH2 ARG 63 -11.783 -11.193 4.472 502 H GLU 64 HN GLU 64 -6.607 -12.606 -2.249 503 HA GLU 64 HA GLU 64 -7.467 -15.013 -3.601 504 HB2 GLU 64 2HB GLU 64 -8.439 -12.757 -4.079 505 HB3 GLU 64 1HB GLU 64 -6.892 -12.284 -4.768 506 HG2 GLU 64 2HG GLU 64 -8.570 -12.930 -6.453 507 HG3 GLU 64 1HG GLU 64 -7.101 -13.902 -6.514 508 H PHE 65 HN PHE 65 -4.525 -13.432 -2.941 509 HA PHE 65 HA PHE 65 -3.185 -15.118 -4.950 510 HD1 PHE 65 1HD PHE 65 -3.519 -13.898 -6.688 511 HD2 PHE 65 2HD PHE 65 -2.199 -10.589 -4.360 512 HE1 PHE 65 1HE PHE 65 -4.484 -12.352 -8.341 513 HE2 PHE 65 2HE PHE 65 -3.166 -9.040 -6.007 514 HZ PHE 65 HZ PHE 65 -4.308 -9.919 -8.000 515 HB2 PHE 65 2HB PHE 65 -1.993 -12.738 -3.506 516 HB3 PHE 65 1HB PHE 65 -1.257 -13.658 -4.811 517 HA PRO 66 HA PRO 66 -2.464 -17.028 -0.860 518 HB2 PRO 66 2HB PRO 66 -2.985 -19.554 -1.537 519 HB3 PRO 66 1HB PRO 66 -4.287 -18.373 -1.349 520 HG2 PRO 66 2HG PRO 66 -3.027 -19.426 -3.843 521 HG3 PRO 66 1HG PRO 66 -4.732 -19.080 -3.509 522 HD2 PRO 66 2HD PRO 66 -3.000 -17.403 -4.876 523 HD3 PRO 66 1HD PRO 66 -4.513 -16.895 -4.102 524 H GLN 67 HN GLN 67 -0.298 -16.271 -2.507 525 HA GLN 67 HA GLN 67 1.459 -18.602 -2.158 526 HB2 GLN 67 2HB GLN 67 1.385 -16.657 -4.458 527 HB3 GLN 67 1HB GLN 67 2.797 -17.645 -4.109 528 HG2 GLN 67 2HG GLN 67 0.047 -18.744 -4.634 529 HG3 GLN 67 1HG GLN 67 1.316 -18.591 -5.852 530 HE21 GLN 67 1HE2 GLN 67 0.299 -20.254 -2.955 531 HE22 GLN 67 2HE2 GLN 67 1.430 -21.558 -3.078 532 H PHE 68 HN PHE 68 1.338 -15.072 -2.486 533 HA PHE 68 HA PHE 68 3.719 -14.826 -0.827 534 HD1 PHE 68 2HD PHE 68 5.145 -14.170 -2.920 535 HD2 PHE 68 1HD PHE 68 1.469 -12.328 -3.933 536 HE1 PHE 68 2HE PHE 68 5.719 -14.359 -5.311 537 HE2 PHE 68 1HE PHE 68 2.012 -12.491 -6.314 538 HZ PHE 68 HZ PHE 68 4.148 -13.511 -7.012 539 HB2 PHE 68 2HB PHE 68 2.006 -12.537 -1.760 540 HB3 PHE 68 1HB PHE 68 3.713 -12.526 -1.346 541 H ASP 69 HN ASP 69 3.676 -14.123 1.284 542 HA ASP 69 HA ASP 69 1.067 -13.708 2.526 543 HB2 ASP 69 2HB ASP 69 2.647 -15.084 3.790 544 HB3 ASP 69 1HB ASP 69 3.849 -13.799 3.737 545 H TRP 70 HN TRP 70 0.398 -11.760 1.733 546 HA TRP 70 HA TRP 70 2.212 -9.574 1.375 547 HD1 TRP 70 1HD TRP 70 -0.502 -12.058 -0.005 548 HE1 TRP 70 1HE TRP 70 -0.225 -12.499 -2.523 549 HE3 TRP 70 3HE TRP 70 1.066 -7.417 -1.486 550 HZ2 TRP 70 2HZ TRP 70 0.516 -11.065 -4.836 551 HZ3 TRP 70 3HZ TRP 70 1.532 -7.041 -3.876 552 HH2 TRP 70 2HH TRP 70 1.264 -8.841 -5.515 553 HB2 TRP 70 2HB TRP 70 -0.802 -9.532 1.272 554 HB3 TRP 70 1HB TRP 70 0.278 -8.307 0.636 555 H GLN 71 HN GLN 71 2.571 -7.895 2.634 556 HA GLN 71 HA GLN 71 0.984 -7.579 5.082 557 HB2 GLN 71 2HB GLN 71 3.630 -6.316 4.303 558 HB3 GLN 71 1HB GLN 71 2.765 -5.990 5.795 559 HG2 GLN 71 2HG GLN 71 4.469 -7.493 6.355 560 HG3 GLN 71 1HG GLN 71 2.988 -8.446 6.316 561 HE21 GLN 71 1HE2 GLN 71 4.107 -10.342 5.996 562 HE22 GLN 71 2HE2 GLN 71 4.816 -10.746 4.473 563 H VAL 72 HN VAL 72 -0.410 -5.901 5.228 564 HA VAL 72 HA VAL 72 -0.429 -3.995 3.000 565 HB VAL 72 HB VAL 72 -2.592 -4.340 5.078 566 HG11 VAL 72 1HG1 VAL 72 -2.592 -3.068 2.344 567 HG12 VAL 72 2HG1 VAL 72 -2.628 -2.221 3.891 568 HG13 VAL 72 3HG1 VAL 72 -3.993 -3.225 3.404 569 HG21 VAL 72 3HG2 VAL 72 -2.422 -5.625 2.354 570 HG22 VAL 72 1HG2 VAL 72 -3.806 -5.692 3.444 571 HG23 VAL 72 2HG2 VAL 72 -2.286 -6.459 3.903 572 H ALA 73 HN ALA 73 0.319 -2.030 3.319 573 HA ALA 73 HA ALA 73 0.602 -1.086 6.093 574 HB1 ALA 73 1HB ALA 73 2.409 0.346 5.274 575 HB2 ALA 73 2HB ALA 73 2.160 -0.262 3.638 576 HB3 ALA 73 3HB ALA 73 2.727 -1.347 4.908 577 H VAL 74 HN VAL 74 0.234 1.175 6.483 578 HA VAL 74 HA VAL 74 -1.605 2.394 4.532 579 HB VAL 74 HB VAL 74 -2.630 3.571 6.555 580 HG11 VAL 74 1HG1 VAL 74 -4.128 1.688 7.022 581 HG12 VAL 74 2HG1 VAL 74 -2.981 0.591 6.252 582 HG13 VAL 74 3HG1 VAL 74 -3.786 1.838 5.299 583 HG21 VAL 74 3HG2 VAL 74 -1.254 1.303 7.994 584 HG22 VAL 74 1HG2 VAL 74 -2.471 2.374 8.690 585 HG23 VAL 74 2HG2 VAL 74 -0.908 3.022 8.190 586 H ALA 75 HN ALA 75 -1.205 4.402 3.911 587 HA ALA 75 HA ALA 75 1.120 5.755 5.075 588 HB1 ALA 75 1HB ALA 75 1.159 5.358 2.660 589 HB2 ALA 75 2HB ALA 75 1.146 7.081 3.032 590 HB3 ALA 75 3HB ALA 75 -0.329 6.286 2.482 591 H ASP 76 HN ASP 76 0.937 7.617 6.155 592 HA ASP 76 HA ASP 76 -1.511 8.574 7.099 593 HB2 ASP 76 2HB ASP 76 0.371 9.097 8.411 594 HB3 ASP 76 1HB ASP 76 1.257 9.755 7.038 595 H LEU 77 HN LEU 77 -2.554 10.602 6.734 596 HA LEU 77 HA LEU 77 -3.272 11.014 4.077 597 HG LEU 77 HG LEU 77 -4.362 11.052 7.270 598 HB2 LEU 77 2HB LEU 77 -3.528 13.084 6.250 599 HB3 LEU 77 1HB LEU 77 -4.567 12.855 4.858 600 HD11 LEU 77 1HD1 LEU 77 -6.607 12.774 6.237 601 HD12 LEU 77 2HD1 LEU 77 -5.604 13.111 7.647 602 HD13 LEU 77 3HD1 LEU 77 -6.680 11.712 7.643 603 HD21 LEU 77 3HD2 LEU 77 -6.089 10.734 4.817 604 HD22 LEU 77 1HD2 LEU 77 -6.123 9.719 6.258 605 HD23 LEU 77 2HD2 LEU 77 -4.693 9.736 5.226 606 H GLU 78 HN GLU 78 -1.173 12.986 6.163 607 HA GLU 78 HA GLU 78 -0.577 14.891 4.117 608 HB2 GLU 78 2HB GLU 78 -0.524 15.427 6.523 609 HB3 GLU 78 1HB GLU 78 0.823 14.322 6.734 610 HG2 GLU 78 2HG GLU 78 2.246 15.710 5.395 611 HG3 GLU 78 1HG GLU 78 0.896 16.764 4.981 612 H GLN 79 HN GLN 79 1.046 12.105 5.506 613 HA GLN 79 HA GLN 79 3.477 12.304 4.119 614 HB2 GLN 79 2HB GLN 79 2.021 9.881 5.180 615 HB3 GLN 79 1HB GLN 79 3.682 9.859 4.601 616 HG2 GLN 79 2HG GLN 79 2.715 11.609 6.847 617 HG3 GLN 79 1HG GLN 79 3.430 10.013 7.077 618 HE21 GLN 79 1HE2 GLN 79 5.593 9.742 6.823 619 HE22 GLN 79 2HE2 GLN 79 6.713 11.047 6.606 620 H SER 80 HN SER 80 0.356 11.146 3.101 621 HA SER 80 HA SER 80 1.140 9.546 0.939 622 HG SER 80 HG SER 80 -1.045 9.330 2.843 623 HB2 SER 80 2HB SER 80 -1.396 11.074 1.457 624 HB3 SER 80 1HB SER 80 -1.184 9.992 0.080 625 H GLU 81 HN GLU 81 1.065 12.969 1.308 626 HA GLU 81 HA GLU 81 0.856 13.811 -1.344 627 HB2 GLU 81 2HB GLU 81 0.808 15.369 0.524 628 HB3 GLU 81 1HB GLU 81 2.470 14.978 0.927 629 HG2 GLU 81 2HG GLU 81 2.320 17.114 -0.205 630 HG3 GLU 81 1HG GLU 81 3.227 15.953 -1.169 631 H ALA 82 HN ALA 82 3.768 13.033 0.546 632 HA ALA 82 HA ALA 82 5.490 13.271 -1.742 633 HB1 ALA 82 1HB ALA 82 6.042 12.138 0.997 634 HB2 ALA 82 2HB ALA 82 6.296 13.809 0.496 635 HB3 ALA 82 3HB ALA 82 7.253 12.515 -0.226 636 H ILE 83 HN ILE 83 4.058 10.628 0.109 637 HA ILE 83 HA ILE 83 5.491 8.520 -1.080 638 HB ILE 83 HB ILE 83 2.769 8.515 0.228 639 HG12 ILE 83 2HG1 ILE 83 5.504 7.737 1.266 640 HG13 ILE 83 1HG1 ILE 83 4.638 9.214 1.676 641 HG21 ILE 83 1HG2 ILE 83 4.534 6.181 -0.506 642 HG22 ILE 83 2HG2 ILE 83 2.978 6.581 -1.232 643 HG23 ILE 83 3HG2 ILE 83 3.062 6.088 0.459 644 HD11 ILE 83 3HD1 ILE 83 4.457 7.578 3.449 645 HD12 ILE 83 1HD1 ILE 83 3.769 6.408 2.322 646 HD13 ILE 83 2HD1 ILE 83 2.878 7.877 2.721 647 H GLY 84 HN GLY 84 2.278 9.871 -1.862 648 HA2 GLY 84 2HA GLY 84 1.644 8.050 -3.910 649 HA3 GLY 84 1HA GLY 84 0.966 9.662 -3.729 650 H ASP 85 HN ASP 85 3.349 11.132 -3.987 651 HA ASP 85 HA ASP 85 3.599 11.281 -6.807 652 HB2 ASP 85 2HB ASP 85 3.868 13.249 -5.388 653 HB3 ASP 85 1HB ASP 85 5.275 12.522 -4.626 654 H ARG 86 HN ARG 86 5.562 9.940 -4.243 655 HA ARG 86 HA ARG 86 7.914 9.421 -5.673 656 HE ARG 86 HE ARG 86 10.860 6.240 -2.649 657 HB2 ARG 86 2HB ARG 86 7.619 9.406 -3.191 658 HB3 ARG 86 1HB ARG 86 6.787 7.868 -3.340 659 HG2 ARG 86 2HG ARG 86 8.817 6.846 -4.222 660 HG3 ARG 86 1HG ARG 86 9.654 8.398 -4.099 661 HD2 ARG 86 2HD ARG 86 9.120 8.395 -1.656 662 HD3 ARG 86 1HD ARG 86 8.506 6.756 -1.849 663 HH11 ARG 86 1HH1 ARG 86 10.161 8.855 -0.452 664 HH12 ARG 86 2HH1 ARG 86 11.654 8.701 0.431 665 HH21 ARG 86 1HH2 ARG 86 12.853 6.020 -1.500 666 HH22 ARG 86 2HH2 ARG 86 13.167 7.081 -0.155 667 H PHE 87 HN PHE 87 4.933 7.603 -5.372 668 HA PHE 87 HA PHE 87 6.090 5.390 -6.897 669 HD1 PHE 87 2HD PHE 87 6.792 3.994 -5.544 670 HD2 PHE 87 1HD PHE 87 3.347 4.956 -3.243 671 HE1 PHE 87 2HE PHE 87 7.912 3.154 -3.518 672 HE2 PHE 87 1HE PHE 87 4.460 4.115 -1.218 673 HZ PHE 87 HZ PHE 87 6.746 3.213 -1.354 674 HB2 PHE 87 2HB PHE 87 3.438 5.605 -5.455 675 HB3 PHE 87 1HB PHE 87 3.985 4.189 -6.345 676 H ASN 88 HN ASN 88 4.806 8.233 -7.582 677 HA ASN 88 HA ASN 88 3.980 9.184 -9.458 678 HB2 ASN 88 2HB ASN 88 4.439 6.450 -10.668 679 HB3 ASN 88 1HB ASN 88 4.071 7.910 -11.582 680 HD21 ASN 88 1HD2 ASN 88 6.451 6.202 -9.742 681 HD22 ASN 88 2HD2 ASN 88 7.790 7.210 -10.143 682 H VAL 89 HN VAL 89 2.228 7.814 -7.528 683 HA VAL 89 HA VAL 89 -0.098 7.150 -9.183 684 HB VAL 89 HB VAL 89 -0.043 7.304 -6.168 685 HG11 VAL 89 1HG1 VAL 89 -2.238 7.157 -7.231 686 HG12 VAL 89 2HG1 VAL 89 -1.869 5.693 -6.319 687 HG13 VAL 89 3HG1 VAL 89 -1.735 5.694 -8.078 688 HG21 VAL 89 3HG2 VAL 89 0.707 4.933 -7.875 689 HG22 VAL 89 1HG2 VAL 89 0.466 4.904 -6.129 690 HG23 VAL 89 2HG2 VAL 89 1.785 5.847 -6.822 691 H ARG 90 HN ARG 90 1.438 9.786 -8.224 692 HA ARG 90 HA ARG 90 1.002 11.988 -8.149 693 HE ARG 90 HE ARG 90 1.362 10.914 -12.356 694 HB2 ARG 90 2HB ARG 90 -1.735 11.152 -9.126 695 HB3 ARG 90 1HB ARG 90 -1.225 12.824 -8.952 696 HG2 ARG 90 2HG ARG 90 -0.890 12.410 -11.200 697 HG3 ARG 90 1HG ARG 90 0.716 12.161 -10.517 698 HD2 ARG 90 2HD ARG 90 0.096 9.694 -10.380 699 HD3 ARG 90 1HD ARG 90 -1.274 10.097 -11.417 700 HH11 ARG 90 1HH1 ARG 90 -1.267 8.595 -12.538 701 HH12 ARG 90 2HH1 ARG 90 -0.705 7.896 -14.031 702 HH21 ARG 90 1HH2 ARG 90 2.092 9.995 -14.306 703 HH22 ARG 90 2HH2 ARG 90 1.206 8.689 -15.033 704 H ARG 91 HN ARG 91 -2.298 11.138 -7.287 705 HA ARG 91 HA ARG 91 -1.933 11.375 -4.478 706 HE ARG 91 HE ARG 91 -0.971 15.715 -3.082 707 HB2 ARG 91 2HB ARG 91 -1.605 13.755 -5.359 708 HB3 ARG 91 1HB ARG 91 -3.309 13.728 -5.782 709 HG2 ARG 91 2HG ARG 91 -3.886 13.367 -3.434 710 HG3 ARG 91 1HG ARG 91 -2.173 13.398 -3.012 711 HD2 ARG 91 2HD ARG 91 -3.643 15.667 -4.348 712 HD3 ARG 91 1HD ARG 91 -3.348 15.556 -2.613 713 HH11 ARG 91 1HH1 ARG 91 -3.150 16.617 -5.695 714 HH12 ARG 91 2HH1 ARG 91 -1.961 17.609 -6.491 715 HH21 ARG 91 1HH2 ARG 91 0.555 17.015 -4.114 716 HH22 ARG 91 2HH2 ARG 91 0.138 17.839 -5.591 717 H PHE 92 HN PHE 92 -3.221 9.693 -6.472 718 HA PHE 92 HA PHE 92 -6.068 10.072 -5.824 719 HD1 PHE 92 1HD PHE 92 -7.722 10.680 -8.096 720 HD2 PHE 92 2HD PHE 92 -3.636 10.221 -9.184 721 HE1 PHE 92 1HE PHE 92 -7.884 12.672 -9.531 722 HE2 PHE 92 2HE PHE 92 -3.789 12.211 -10.622 723 HZ PHE 92 HZ PHE 92 -5.916 13.441 -10.795 724 HB2 PHE 92 2HB PHE 92 -4.773 8.482 -8.048 725 HB3 PHE 92 1HB PHE 92 -6.504 8.557 -7.744 726 HA PRO 93 HA PRO 93 -6.050 6.554 -3.115 727 HB2 PRO 93 2HB PRO 93 -8.573 5.597 -3.833 728 HB3 PRO 93 1HB PRO 93 -8.234 6.778 -2.566 729 HG2 PRO 93 2HG PRO 93 -9.156 7.203 -5.359 730 HG3 PRO 93 1HG PRO 93 -9.565 8.104 -3.889 731 HD2 PRO 93 2HD PRO 93 -7.858 9.080 -5.721 732 HD3 PRO 93 1HD PRO 93 -7.633 9.378 -3.984 733 H ALA 94 HN ALA 94 -4.908 4.805 -3.536 734 HA ALA 94 HA ALA 94 -5.821 2.791 -5.360 735 HB1 ALA 94 1HB ALA 94 -3.873 2.751 -6.805 736 HB2 ALA 94 2HB ALA 94 -3.203 4.158 -5.978 737 HB3 ALA 94 3HB ALA 94 -4.683 4.312 -6.925 738 H THR 95 HN THR 95 -4.968 0.827 -4.895 739 HA THR 95 HA THR 95 -3.250 0.590 -2.573 740 HB THR 95 HB THR 95 -4.263 -1.614 -4.382 741 HG1 THR 95 1HG THR 95 -6.148 -0.906 -3.654 742 HG21 THR 95 3HG2 THR 95 -3.990 -3.015 -2.387 743 HG22 THR 95 1HG2 THR 95 -3.377 -1.622 -1.495 744 HG23 THR 95 2HG2 THR 95 -2.465 -2.267 -2.859 745 H LEU 96 HN LEU 96 -1.064 0.228 -2.676 746 HA LEU 96 HA LEU 96 0.109 0.154 -5.344 747 HG LEU 96 HG LEU 96 2.261 2.617 -3.635 748 HB2 LEU 96 2HB LEU 96 1.285 0.565 -2.604 749 HB3 LEU 96 1HB LEU 96 2.293 0.267 -4.007 750 HD11 LEU 96 1HD1 LEU 96 2.143 1.902 -5.965 751 HD12 LEU 96 2HD1 LEU 96 1.332 3.448 -5.718 752 HD13 LEU 96 3HD1 LEU 96 0.381 1.973 -5.898 753 HD21 LEU 96 3HD2 LEU 96 0.261 2.761 -2.254 754 HD22 LEU 96 1HD2 LEU 96 -0.749 2.450 -3.666 755 HD23 LEU 96 2HD2 LEU 96 0.201 3.932 -3.571 756 H VAL 97 HN VAL 97 0.808 -1.609 -6.272 757 HA VAL 97 HA VAL 97 0.839 -4.085 -4.709 758 HB VAL 97 HB VAL 97 0.907 -3.736 -7.713 759 HG11 VAL 97 1HG1 VAL 97 0.468 -6.186 -6.010 760 HG12 VAL 97 2HG1 VAL 97 1.891 -5.836 -6.994 761 HG13 VAL 97 3HG1 VAL 97 0.330 -6.121 -7.767 762 HG21 VAL 97 3HG2 VAL 97 -1.401 -4.408 -5.892 763 HG22 VAL 97 1HG2 VAL 97 -1.443 -4.458 -7.655 764 HG23 VAL 97 2HG2 VAL 97 -1.196 -2.923 -6.820 765 H PHE 98 HN PHE 98 2.757 -4.571 -3.897 766 HA PHE 98 HA PHE 98 5.127 -4.055 -5.551 767 HD1 PHE 98 1HD PHE 98 3.713 -1.678 -3.051 768 HD2 PHE 98 2HD PHE 98 7.605 -2.720 -4.397 769 HE1 PHE 98 1HE PHE 98 4.187 0.695 -3.505 770 HE2 PHE 98 2HE PHE 98 8.091 -0.366 -4.851 771 HZ PHE 98 HZ PHE 98 6.383 1.356 -4.409 772 HB2 PHE 98 2HB PHE 98 4.678 -3.876 -2.604 773 HB3 PHE 98 1HB PHE 98 6.284 -4.287 -3.203 774 H THR 99 HN THR 99 6.464 -5.614 -6.024 775 HA THR 99 HA THR 99 6.486 -8.125 -4.567 776 HB THR 99 HB THR 99 6.166 -8.354 -7.543 777 HG1 THR 99 1HG THR 99 4.139 -7.948 -5.623 778 HG21 THR 99 3HG2 THR 99 5.503 -10.226 -5.276 779 HG22 THR 99 1HG2 THR 99 6.971 -10.280 -6.251 780 HG23 THR 99 2HG2 THR 99 5.406 -10.598 -6.997 781 H ASP 100 HN ASP 100 8.425 -9.272 -4.981 782 HA ASP 100 HA ASP 100 10.683 -9.387 -5.251 783 HB2 ASP 100 2HB ASP 100 10.152 -7.575 -7.612 784 HB3 ASP 100 1HB ASP 100 11.702 -8.316 -7.260 785 H GLY 101 HN GLY 101 9.244 -7.093 -3.844 786 HA2 GLY 101 2HA GLY 101 9.825 -5.213 -2.651 787 HA3 GLY 101 1HA GLY 101 11.500 -5.528 -3.080 788 H LYS 102 HN LYS 102 9.259 -5.293 -5.668 789 HA LYS 102 HA LYS 102 10.218 -2.582 -6.289 790 HB2 LYS 102 2HB LYS 102 9.841 -4.789 -8.315 791 HB3 LYS 102 1HB LYS 102 10.610 -3.227 -8.554 792 HG2 LYS 102 2HG LYS 102 12.452 -3.864 -7.138 793 HG3 LYS 102 1HG LYS 102 11.659 -5.386 -6.742 794 HD2 LYS 102 2HD LYS 102 11.734 -5.892 -9.232 795 HD3 LYS 102 1HD LYS 102 12.844 -4.525 -9.363 796 HE2 LYS 102 2HE LYS 102 13.217 -6.996 -7.675 797 HE3 LYS 102 1HE LYS 102 14.086 -6.603 -9.157 798 HZ1 LYS 102 3HZ LYS 102 14.209 -5.055 -6.614 799 HZ2 LYS 102 1HZ LYS 102 15.049 -4.684 -8.040 800 HZ3 LYS 102 2HZ LYS 102 15.405 -6.105 -7.192 801 H LEU 103 HN LEU 103 8.829 -1.351 -7.689 802 HA LEU 103 HA LEU 103 6.067 -1.707 -7.038 803 HG LEU 103 HG LEU 103 5.006 0.155 -9.389 804 HB2 LEU 103 2HB LEU 103 7.062 0.518 -7.204 805 HB3 LEU 103 1HB LEU 103 7.420 0.251 -8.899 806 HD11 LEU 103 1HD1 LEU 103 4.679 0.864 -6.472 807 HD12 LEU 103 2HD1 LEU 103 4.199 -0.651 -7.238 808 HD13 LEU 103 3HD1 LEU 103 3.394 0.854 -7.680 809 HD21 LEU 103 3HD2 LEU 103 5.853 2.636 -7.896 810 HD22 LEU 103 1HD2 LEU 103 4.560 2.529 -9.089 811 HD23 LEU 103 2HD2 LEU 103 6.233 2.263 -9.577 812 H ARG 104 HN ARG 104 4.671 -2.940 -8.051 813 HA ARG 104 HA ARG 104 5.221 -3.836 -10.776 814 HE ARG 104 HE ARG 104 6.183 -4.870 -10.913 815 HB2 ARG 104 2HB ARG 104 3.004 -4.672 -8.895 816 HB3 ARG 104 1HB ARG 104 3.444 -5.455 -10.406 817 HG2 ARG 104 2HG ARG 104 5.372 -5.216 -8.125 818 HG3 ARG 104 1HG ARG 104 4.221 -6.543 -8.240 819 HD2 ARG 104 2HD ARG 104 6.374 -7.205 -9.134 820 HD3 ARG 104 1HD ARG 104 5.164 -7.164 -10.413 821 HH11 ARG 104 1HH1 ARG 104 8.012 -7.543 -9.572 822 HH12 ARG 104 2HH1 ARG 104 9.488 -7.088 -10.358 823 HH21 ARG 104 1HH2 ARG 104 8.101 -4.252 -11.919 824 HH22 ARG 104 2HH2 ARG 104 9.561 -5.176 -11.670 825 H GLY 105 HN GLY 105 2.610 -2.332 -8.901 826 HA2 GLY 105 2HA GLY 105 1.939 -0.440 -10.847 827 HA3 GLY 105 1HA GLY 105 0.887 -1.832 -11.067 828 H ALA 106 HN ALA 106 -0.696 -0.039 -10.549 829 HA ALA 106 HA ALA 106 -1.100 0.057 -7.631 830 HB1 ALA 106 1HB ALA 106 -2.145 2.259 -7.906 831 HB2 ALA 106 2HB ALA 106 -1.780 2.215 -9.630 832 HB3 ALA 106 3HB ALA 106 -0.468 2.265 -8.454 833 H LEU 107 HN LEU 107 -3.206 -0.158 -6.891 834 HA LEU 107 HA LEU 107 -5.111 -1.213 -8.875 835 HG LEU 107 HG LEU 107 -5.781 -4.183 -6.877 836 HB2 LEU 107 2HB LEU 107 -4.072 -2.428 -6.590 837 HB3 LEU 107 1HB LEU 107 -5.672 -1.901 -6.105 838 HD11 LEU 107 1HD1 LEU 107 -6.960 -2.315 -8.926 839 HD12 LEU 107 2HD1 LEU 107 -7.702 -2.782 -7.396 840 HD13 LEU 107 3HD1 LEU 107 -7.444 -3.989 -8.656 841 HD21 LEU 107 3HD2 LEU 107 -5.167 -4.826 -9.139 842 HD22 LEU 107 1HD2 LEU 107 -3.776 -4.162 -8.281 843 HD23 LEU 107 2HD2 LEU 107 -4.626 -3.180 -9.475 844 H SER 108 HN SER 108 -6.166 0.670 -9.341 845 HA SER 108 HA SER 108 -7.085 2.405 -7.219 846 HG SER 108 HG SER 108 -5.692 4.221 -9.388 847 HB2 SER 108 2HB SER 108 -7.672 2.605 -10.176 848 HB3 SER 108 1HB SER 108 -7.724 3.897 -8.974 849 H GLY 109 HN GLY 109 -8.258 -0.291 -8.909 850 HA2 GLY 109 2HA GLY 109 -11.066 0.408 -8.612 851 HA3 GLY 109 1HA GLY 109 -10.423 -1.068 -9.322 852 H ILE 110 HN ILE 110 -11.909 0.265 -6.641 853 HA ILE 110 HA ILE 110 -11.046 -1.957 -4.903 854 HB ILE 110 HB ILE 110 -12.446 0.606 -4.102 855 HG12 ILE 110 2HG1 ILE 110 -9.532 -0.157 -3.778 856 HG13 ILE 110 1HG1 ILE 110 -10.151 0.996 -4.958 857 HG21 ILE 110 1HG2 ILE 110 -11.185 -1.568 -2.430 858 HG22 ILE 110 2HG2 ILE 110 -12.907 -1.210 -2.565 859 HG23 ILE 110 3HG2 ILE 110 -11.821 -0.044 -1.811 860 HD11 ILE 110 3HD1 ILE 110 -10.930 2.429 -3.143 861 HD12 ILE 110 1HD1 ILE 110 -9.194 2.131 -3.043 862 HD13 ILE 110 2HD1 ILE 110 -10.301 1.279 -1.964 863 H HIS 111 HN HIS 111 -13.737 -0.449 -6.497 864 HA HIS 111 HA HIS 111 -15.626 -2.181 -5.082 865 HD1 HIS 111 1HD HIS 111 -18.287 1.258 -4.721 866 HD2 HIS 111 2HD HIS 111 -14.524 -0.112 -3.631 867 HE1 HIS 111 1HE HIS 111 -17.842 2.239 -2.446 868 HE2 HIS 111 2HE HIS 111 -15.436 1.631 -1.973 869 HB2 HIS 111 2HB HIS 111 -16.052 0.320 -6.700 870 HB3 HIS 111 1HB HIS 111 -17.378 -0.710 -6.176 871 HA PRO 112 HA PRO 112 -16.652 -3.102 -9.749 872 HB2 PRO 112 2HB PRO 112 -14.567 -2.705 -11.490 873 HB3 PRO 112 1HB PRO 112 -15.884 -1.555 -11.248 874 HG2 PRO 112 2HG PRO 112 -13.125 -1.552 -10.097 875 HG3 PRO 112 1HG PRO 112 -14.088 -0.194 -10.712 876 HD2 PRO 112 2HD PRO 112 -13.819 -0.680 -8.075 877 HD3 PRO 112 1HD PRO 112 -15.313 -0.016 -8.763 878 H TRP 113 HN TRP 113 -16.541 -5.172 -8.950 879 HA TRP 113 HA TRP 113 -13.944 -6.537 -9.201 880 HD1 TRP 113 1HD TRP 113 -15.300 -9.833 -8.399 881 HE1 TRP 113 1HE TRP 113 -13.536 -11.379 -7.319 882 HE3 TRP 113 3HE TRP 113 -12.889 -6.398 -5.507 883 HZ2 TRP 113 2HZ TRP 113 -11.395 -11.152 -5.476 884 HZ3 TRP 113 3HZ TRP 113 -10.994 -7.129 -4.115 885 HH2 TRP 113 2HH TRP 113 -10.261 -9.460 -4.105 886 HB2 TRP 113 2HB TRP 113 -14.835 -6.284 -6.861 887 HB3 TRP 113 1HB TRP 113 -16.193 -7.298 -7.336 888 H ALA 114 HN ALA 114 -13.886 -7.846 -10.809 889 HA ALA 114 HA ALA 114 -15.343 -10.087 -11.317 890 HB1 ALA 114 1HB ALA 114 -16.450 -7.802 -12.968 891 HB2 ALA 114 2HB ALA 114 -17.329 -8.707 -11.736 892 HB3 ALA 114 3HB ALA 114 -16.805 -9.512 -13.216 893 H GLU 115 HN GLU 115 -14.548 -7.381 -13.420 894 HA GLU 115 HA GLU 115 -12.867 -8.983 -15.122 895 HB2 GLU 115 2HB GLU 115 -12.441 -6.777 -16.257 896 HB3 GLU 115 1HB GLU 115 -14.134 -7.250 -16.173 897 HG2 GLU 115 2HG GLU 115 -14.353 -5.774 -14.165 898 HG3 GLU 115 1HG GLU 115 -12.716 -5.202 -14.488 899 H LEU 116 HN LEU 116 -12.529 -7.112 -12.314 900 HA LEU 116 HA LEU 116 -9.853 -6.339 -12.333 901 HG LEU 116 HG LEU 116 -9.257 -5.244 -10.232 902 HB2 LEU 116 2HB LEU 116 -11.726 -5.903 -10.615 903 HB3 LEU 116 1HB LEU 116 -11.287 -7.448 -9.924 904 HD11 LEU 116 1HD1 LEU 116 -11.160 -4.357 -8.968 905 HD12 LEU 116 2HD1 LEU 116 -9.744 -4.579 -7.942 906 HD13 LEU 116 3HD1 LEU 116 -11.074 -5.737 -7.876 907 HD21 LEU 116 3HD2 LEU 116 -9.462 -7.572 -8.324 908 HD22 LEU 116 1HD2 LEU 116 -8.140 -6.409 -8.417 909 HD23 LEU 116 2HD2 LEU 116 -8.437 -7.516 -9.758 910 H LEU 117 HN LEU 117 -11.364 -9.445 -11.799 911 HA LEU 117 HA LEU 117 -9.270 -10.889 -10.694 912 HG LEU 117 HG LEU 117 -12.435 -10.894 -10.728 913 HB2 LEU 117 2HB LEU 117 -11.309 -11.860 -12.699 914 HB3 LEU 117 1HB LEU 117 -10.347 -12.876 -11.644 915 HD11 LEU 117 1HD1 LEU 117 -12.485 -13.907 -10.824 916 HD12 LEU 117 2HD1 LEU 117 -13.416 -12.819 -11.856 917 HD13 LEU 117 3HD1 LEU 117 -13.730 -12.873 -10.120 918 HD21 LEU 117 3HD2 LEU 117 -12.111 -11.892 -8.527 919 HD22 LEU 117 1HD2 LEU 117 -10.613 -11.170 -9.117 920 HD23 LEU 117 2HD2 LEU 117 -10.830 -12.920 -9.172 921 H THR 118 HN THR 118 -10.046 -10.362 -14.122 922 HA THR 118 HA THR 118 -7.849 -11.838 -15.125 923 HB THR 118 HB THR 118 -9.232 -9.584 -16.574 924 HG1 THR 118 1HG THR 118 -11.000 -10.782 -16.771 925 HG21 THR 118 3HG2 THR 118 -8.067 -12.211 -17.502 926 HG22 THR 118 1HG2 THR 118 -7.335 -10.620 -17.709 927 HG23 THR 118 2HG2 THR 118 -8.846 -11.009 -18.532 928 H LEU 119 HN LEU 119 -8.354 -8.459 -14.320 929 HA LEU 119 HA LEU 119 -6.029 -7.456 -15.604 930 HG LEU 119 HG LEU 119 -7.267 -4.093 -14.747 931 HB2 LEU 119 2HB LEU 119 -8.215 -6.273 -14.756 932 HB3 LEU 119 1HB LEU 119 -7.320 -6.103 -13.263 933 HD11 LEU 119 1HD1 LEU 119 -4.609 -5.387 -14.176 934 HD12 LEU 119 2HD1 LEU 119 -5.552 -4.391 -13.068 935 HD13 LEU 119 3HD1 LEU 119 -4.864 -3.677 -14.527 936 HD21 LEU 119 3HD2 LEU 119 -7.193 -5.254 -16.891 937 HD22 LEU 119 1HD2 LEU 119 -5.579 -5.857 -16.513 938 HD23 LEU 119 2HD2 LEU 119 -5.848 -4.125 -16.724 939 H MET 120 HN MET 120 -6.774 -8.206 -12.210 940 HA MET 120 HA MET 120 -4.350 -7.326 -11.121 941 HB2 MET 120 2HB MET 120 -4.942 -8.565 -9.135 942 HB3 MET 120 1HB MET 120 -6.386 -7.817 -9.804 943 HG2 MET 120 2HG MET 120 -7.012 -9.962 -10.812 944 HG3 MET 120 1HG MET 120 -5.579 -10.701 -10.102 945 HE1 MET 120 3HE MET 120 -8.372 -12.310 -7.967 946 HE2 MET 120 1HE MET 120 -6.933 -12.580 -8.951 947 HE3 MET 120 2HE MET 120 -8.408 -11.958 -9.695 948 H ARG 121 HN ARG 121 -5.187 -10.444 -12.546 949 HA ARG 121 HA ARG 121 -2.981 -11.878 -11.535 950 HE ARG 121 HE ARG 121 -6.605 -15.215 -10.823 951 HB2 ARG 121 2HB ARG 121 -4.824 -12.317 -13.874 952 HB3 ARG 121 1HB ARG 121 -3.592 -13.460 -13.391 953 HG2 ARG 121 2HG ARG 121 -4.632 -13.751 -11.236 954 HG3 ARG 121 1HG ARG 121 -5.829 -12.514 -11.629 955 HD2 ARG 121 2HD ARG 121 -6.669 -13.890 -13.450 956 HD3 ARG 121 1HD ARG 121 -5.450 -15.112 -13.101 957 HH11 ARG 121 1HH1 ARG 121 -8.247 -14.479 -13.833 958 HH12 ARG 121 2HH1 ARG 121 -9.797 -15.052 -13.271 959 HH21 ARG 121 1HH2 ARG 121 -8.624 -15.964 -10.082 960 HH22 ARG 121 2HH2 ARG 121 -10.007 -15.901 -11.138 961 H SER 122 HN SER 122 -3.534 -10.037 -14.466 962 HA SER 122 HA SER 122 -1.174 -10.650 -15.807 963 HG SER 122 HG SER 122 -4.324 -9.401 -16.516 964 HB2 SER 122 2HB SER 122 -2.787 -8.096 -15.888 965 HB3 SER 122 1HB SER 122 -1.750 -8.742 -17.142 966 H ILE 123 HN ILE 123 -1.904 -8.401 -13.217 967 HA ILE 123 HA ILE 123 0.537 -6.914 -13.417 968 HB ILE 123 HB ILE 123 -1.376 -7.163 -11.085 969 HG12 ILE 123 2HG1 ILE 123 -1.147 -5.036 -13.227 970 HG13 ILE 123 1HG1 ILE 123 -2.417 -6.251 -13.128 971 HG21 ILE 123 1HG2 ILE 123 -0.345 -5.093 -10.270 972 HG22 ILE 123 2HG2 ILE 123 0.800 -5.137 -11.610 973 HG23 ILE 123 3HG2 ILE 123 0.835 -6.399 -10.379 974 HD11 ILE 123 3HD1 ILE 123 -3.181 -4.104 -12.306 975 HD12 ILE 123 1HD1 ILE 123 -1.885 -4.085 -11.111 976 HD13 ILE 123 2HD1 ILE 123 -3.161 -5.299 -11.012 977 H VAL 124 HN VAL 124 -0.633 -9.535 -11.331 978 HA VAL 124 HA VAL 124 1.928 -9.766 -9.997 979 HB VAL 124 HB VAL 124 0.886 -11.632 -8.753 980 HG11 VAL 124 1HG1 VAL 124 -0.787 -9.127 -8.862 981 HG12 VAL 124 2HG1 VAL 124 0.693 -9.347 -7.931 982 HG13 VAL 124 3HG1 VAL 124 -0.746 -10.285 -7.533 983 HG21 VAL 124 3HG2 VAL 124 -1.505 -12.096 -9.027 984 HG22 VAL 124 1HG2 VAL 124 -0.596 -12.487 -10.488 985 HG23 VAL 124 2HG2 VAL 124 -1.555 -11.009 -10.413 986 H ASP 125 HN ASP 125 1.913 -10.210 -12.833 987 HA ASP 125 HA ASP 125 2.061 -12.998 -13.417 988 HB2 ASP 125 2HB ASP 125 1.601 -11.385 -15.175 989 HB3 ASP 125 1HB ASP 125 3.147 -10.592 -14.893 990 H THR 126 HN THR 126 4.264 -10.645 -12.176 991 HA THR 126 HA THR 126 6.708 -11.835 -12.859 992 HB THR 126 HB THR 126 6.479 -9.511 -12.010 993 HG1 THR 126 1HG THR 126 8.243 -10.356 -10.126 994 HG21 THR 126 3HG2 THR 126 6.336 -9.125 -9.588 995 HG22 THR 126 1HG2 THR 126 6.072 -10.852 -9.337 996 HG23 THR 126 2HG2 THR 126 4.880 -9.896 -10.219 997 HA PRO 127 HA PRO 127 6.798 -15.245 -9.972 998 HB2 PRO 127 2HB PRO 127 9.345 -16.000 -10.330 999 HB3 PRO 127 1HB PRO 127 8.133 -16.241 -11.595 1000 HG2 PRO 127 2HG PRO 127 10.203 -14.093 -11.343 1001 HG3 PRO 127 1HG PRO 127 9.719 -15.016 -12.777 1002 HD2 PRO 127 2HD PRO 127 8.820 -12.490 -12.216 1003 HD3 PRO 127 1HD PRO 127 7.913 -13.669 -13.184 1004 H ALA 128 HN ALA 128 8.393 -15.962 -8.175 1005 HA ALA 128 HA ALA 128 10.026 -13.935 -6.980 1006 HB1 ALA 128 1HB ALA 128 7.816 -13.116 -6.308 1007 HB2 ALA 128 2HB ALA 128 8.737 -13.688 -4.918 1008 HB3 ALA 128 3HB ALA 128 7.450 -14.685 -5.593 1009 H ALA 129 HN ALA 129 10.144 -14.896 -4.398 1010 HA ALA 129 HA ALA 129 11.414 -17.440 -4.735 1011 HB1 ALA 129 1HB ALA 129 10.740 -15.968 -2.187 1012 HB2 ALA 129 2HB ALA 129 12.235 -15.789 -3.105 1013 HB3 ALA 129 3HB ALA 129 11.848 -17.330 -2.339 1014 H GLN 130 HN GLN 130 9.981 -18.992 -5.349 1015 HA GLN 130 HA GLN 130 7.376 -19.172 -4.133 1016 HB2 GLN 130 2HB GLN 130 8.092 -19.777 -6.580 1017 HB3 GLN 130 1HB GLN 130 8.546 -21.321 -5.875 1018 HG2 GLN 130 2HG GLN 130 5.798 -20.121 -5.613 1019 HG3 GLN 130 1HG GLN 130 6.260 -21.214 -6.912 1020 HE21 GLN 130 1HE2 GLN 130 4.237 -21.485 -4.804 1021 HE22 GLN 130 2HE2 GLN 130 4.618 -22.957 -3.979 1022 H GLU 131 HN GLU 131 7.474 -19.726 -2.047 1023 HA GLU 131 HA GLU 131 8.852 -22.210 -1.334 1024 HB2 GLU 131 2HB GLU 131 9.177 -20.245 0.143 1025 HB3 GLU 131 1HB GLU 131 7.444 -20.197 0.438 1026 HG2 GLU 131 2HG GLU 131 7.522 -22.331 1.541 1027 HG3 GLU 131 1HG GLU 131 9.227 -22.520 1.130 1028 H THR 132 HN THR 132 7.692 -23.972 -1.693 1029 HA THR 132 HA THR 132 4.880 -23.935 -2.097 1030 HB THR 132 HB THR 132 6.611 -26.367 -1.611 1031 HG1 THR 132 1HG THR 132 6.584 -24.542 -3.704 1032 HG21 THR 132 3HG2 THR 132 4.092 -25.967 -3.236 1033 HG22 THR 132 1HG2 THR 132 4.197 -26.789 -1.680 1034 HG23 THR 132 2HG2 THR 132 5.000 -27.473 -3.095 1035 H VAL 133 HN VAL 133 6.964 -24.522 0.599 1036 HA VAL 133 HA VAL 133 6.605 -24.711 2.826 1037 HB VAL 133 HB VAL 133 3.669 -24.279 2.241 1038 HG11 VAL 133 1HG1 VAL 133 4.068 -25.219 4.448 1039 HG12 VAL 133 2HG1 VAL 133 3.561 -23.536 4.579 1040 HG13 VAL 133 3HG1 VAL 133 5.258 -23.963 4.788 1041 HG21 VAL 133 3HG2 VAL 133 5.783 -22.254 2.981 1042 HG22 VAL 133 1HG2 VAL 133 4.062 -21.932 2.761 1043 HG23 VAL 133 2HG2 VAL 133 5.051 -22.435 1.389 1044 H GLN 134 HN GLN 134 6.669 -26.500 3.998 1045 HA GLN 134 HA GLN 134 5.722 -28.943 2.779 1046 HB2 GLN 134 2HB GLN 134 7.973 -28.647 3.914 1047 HB3 GLN 134 1HB GLN 134 7.108 -28.641 5.445 1048 HG2 GLN 134 2HG GLN 134 6.312 -30.884 5.051 1049 HG3 GLN 134 1HG GLN 134 7.050 -30.893 3.451 1050 HE21 GLN 134 1HE2 GLN 134 9.287 -31.020 3.268 1051 HE22 GLN 134 2HE2 GLN 134 10.282 -31.582 4.576 1052 H LEU 135 HN LEU 135 4.409 -26.713 4.881 1053 HA LEU 135 HA LEU 135 2.638 -28.725 6.104 1054 HG LEU 135 HG LEU 135 1.150 -26.814 7.983 1055 HB2 LEU 135 2HB LEU 135 4.082 -27.483 7.706 1056 HB3 LEU 135 1HB LEU 135 3.348 -25.986 7.166 1057 HD11 LEU 135 1HD1 LEU 135 1.557 -29.198 7.853 1058 HD12 LEU 135 2HD1 LEU 135 1.122 -28.746 9.500 1059 HD13 LEU 135 3HD1 LEU 135 2.804 -29.079 9.091 1060 HD21 LEU 135 3HD2 LEU 135 2.540 -25.344 9.350 1061 HD22 LEU 135 1HD2 LEU 135 3.353 -26.747 10.043 1062 HD23 LEU 135 2HD2 LEU 135 1.634 -26.480 10.349 1063 H GLU 136 HN GLU 136 0.417 -28.276 6.163 1064 HA GLU 136 HA GLU 136 -0.560 -26.673 3.997 1065 HB2 GLU 136 2HB GLU 136 -2.031 -28.178 6.166 1066 HB3 GLU 136 1HB GLU 136 -2.791 -27.433 4.767 1067 HG2 GLU 136 2HG GLU 136 -1.520 -28.919 3.295 1068 HG3 GLU 136 1HG GLU 136 -0.785 -29.672 4.711 1069 H HIS 137 HN HIS 137 -2.347 -25.097 4.303 1070 HA HIS 137 HA HIS 137 -1.714 -23.245 6.466 1071 HD1 HIS 137 1HD HIS 137 -5.019 -20.776 4.915 1072 HD2 HIS 137 2HD HIS 137 -1.019 -20.582 6.063 1073 HE1 HIS 137 1HE HIS 137 -4.706 -18.494 5.923 1074 HE2 HIS 137 2HE HIS 137 -2.329 -18.456 6.758 1075 HB2 HIS 137 2HB HIS 137 -2.046 -22.550 4.018 1076 HB3 HIS 137 1HB HIS 137 -3.763 -22.832 4.281 1077 H HIS 138 HN HIS 138 -3.296 -25.887 6.600 1078 HA HIS 138 HA HIS 138 -4.898 -26.762 7.940 1079 HD1 HIS 138 1HD HIS 138 -5.246 -27.250 10.780 1080 HD2 HIS 138 2HD HIS 138 -7.753 -24.014 10.040 1081 HE1 HIS 138 1HE HIS 138 -7.268 -27.608 12.229 1082 HE2 HIS 138 2HE HIS 138 -8.688 -25.553 11.891 1083 HB2 HIS 138 2HB HIS 138 -4.128 -25.102 9.599 1084 HB3 HIS 138 1HB HIS 138 -5.260 -23.929 8.945 1085 H HIS 139 HN HIS 139 -5.421 -24.970 5.360 1086 HA HIS 139 HA HIS 139 -8.164 -25.802 5.150 1087 HD1 HIS 139 1HD HIS 139 -9.317 -21.583 3.676 1088 HD2 HIS 139 2HD HIS 139 -10.663 -25.295 4.992 1089 HE1 HIS 139 1HE HIS 139 -11.652 -21.817 2.778 1090 HE2 HIS 139 2HE HIS 139 -12.496 -24.010 3.701 1091 HB2 HIS 139 2HB HIS 139 -8.321 -23.568 6.290 1092 HB3 HIS 139 1HB HIS 139 -7.538 -22.850 4.887 1093 H HIS 140 HN HIS 140 -8.729 -26.177 3.053 1094 HA HIS 140 HA HIS 140 -6.708 -25.516 1.008 1095 HD1 HIS 140 1HD HIS 140 -6.603 -29.453 -0.512 1096 HD2 HIS 140 2HD HIS 140 -6.317 -27.698 3.252 1097 HE1 HIS 140 1HE HIS 140 -4.868 -30.790 0.740 1098 HE2 HIS 140 2HE HIS 140 -4.730 -29.727 3.028 1099 HB2 HIS 140 2HB HIS 140 -8.832 -27.671 1.093 1100 HB3 HIS 140 1HB HIS 140 -7.883 -27.305 -0.341 1101 H HIS 141 HN HIS 141 -7.544 -24.946 -1.145 1102 HA HIS 141 HA HIS 141 -10.315 -24.429 -1.509 1103 HD1 HIS 141 1HD HIS 141 -8.105 -21.125 -3.255 1104 HD2 HIS 141 2HD HIS 141 -7.463 -21.662 0.813 1105 HE1 HIS 141 1HE HIS 141 -6.006 -19.848 -2.732 1106 HE2 HIS 141 2HE HIS 141 -5.797 -19.979 -0.226 1107 HB2 HIS 141 2HB HIS 141 -10.177 -21.985 -1.896 1108 HB3 HIS 141 1HB HIS 141 -9.901 -22.430 -0.221 1109 H HIS 142 HN HIS 142 -8.637 -26.038 -2.863 1110 HA HIS 142 HA HIS 142 -8.612 -24.746 -5.488 1111 HD1 HIS 142 1HD HIS 142 -6.336 -27.767 -6.842 1112 HD2 HIS 142 2HD HIS 142 -5.877 -23.640 -7.083 1113 HE1 HIS 142 1HE HIS 142 -5.538 -27.308 -9.180 1114 HE2 HIS 142 2HE HIS 142 -5.145 -24.822 -9.271 1115 HB2 HIS 142 2HB HIS 142 -6.265 -24.772 -4.572 1116 HB3 HIS 142 1HB HIS 142 -6.357 -26.530 -4.536 Start of MODEL 17 1 HA MET 1 HA MET 1 -17.380 19.054 1.682 2 H1 MET 1 1HT MET 1 -18.194 17.804 -0.203 3 H2 MET 1 2HT MET 1 -17.434 16.400 0.369 4 H3 MET 1 3HT MET 1 -16.503 17.739 -0.099 5 HB2 MET 1 2HB MET 1 -19.596 18.013 1.806 6 HB3 MET 1 1HB MET 1 -18.878 16.533 2.430 7 HG2 MET 1 2HG MET 1 -18.157 17.695 4.432 8 HG3 MET 1 1HG MET 1 -18.799 19.211 3.805 9 HE1 MET 1 3HE MET 1 -21.379 19.709 3.482 10 HE2 MET 1 1HE MET 1 -22.651 18.524 3.783 11 HE3 MET 1 2HE MET 1 -21.518 18.284 2.450 12 H ALA 2 HN ALA 2 -16.527 15.605 1.833 13 HA ALA 2 HA ALA 2 -14.694 16.208 4.047 14 HB1 ALA 2 1HB ALA 2 -14.590 13.800 4.400 15 HB2 ALA 2 2HB ALA 2 -15.593 13.535 2.973 16 HB3 ALA 2 3HB ALA 2 -16.264 14.352 4.383 17 H ASN 3 HN ASN 3 -12.597 16.430 3.664 18 HA ASN 3 HA ASN 3 -11.467 16.047 1.077 19 HB2 ASN 3 2HB ASN 3 -10.701 17.710 2.840 20 HB3 ASN 3 1HB ASN 3 -9.955 16.352 3.675 21 HD21 ASN 3 1HD2 ASN 3 -8.105 15.416 2.837 22 HD22 ASN 3 2HD2 ASN 3 -7.205 16.145 1.551 23 H ASP 4 HN ASP 4 -10.517 14.545 4.160 24 HA ASP 4 HA ASP 4 -10.196 11.977 2.730 25 HB2 ASP 4 2HB ASP 4 -8.815 12.513 5.343 26 HB3 ASP 4 1HB ASP 4 -8.368 11.393 4.066 27 H THR 5 HN THR 5 -10.204 12.879 6.117 28 HA THR 5 HA THR 5 -12.858 11.750 6.526 29 HB THR 5 HB THR 5 -11.894 10.648 8.670 30 HG1 THR 5 1HG THR 5 -9.540 10.387 7.136 31 HG21 THR 5 3HG2 THR 5 -12.833 9.359 6.822 32 HG22 THR 5 1HG2 THR 5 -11.409 8.556 7.482 33 HG23 THR 5 2HG2 THR 5 -11.295 9.448 5.965 34 HA PRO 6 HA PRO 6 -13.044 15.615 8.712 35 HB2 PRO 6 2HB PRO 6 -15.324 15.041 10.161 36 HB3 PRO 6 1HB PRO 6 -15.309 15.642 8.500 37 HG2 PRO 6 2HG PRO 6 -15.614 12.841 9.501 38 HG3 PRO 6 1HG PRO 6 -16.467 13.657 8.177 39 HD2 PRO 6 2HD PRO 6 -14.474 11.932 7.704 40 HD3 PRO 6 1HD PRO 6 -14.690 13.384 6.704 41 H PHE 7 HN PHE 7 -13.257 12.525 10.388 42 HA PHE 7 HA PHE 7 -12.142 13.815 12.786 43 HD1 PHE 7 1HD PHE 7 -13.815 14.833 14.374 44 HD2 PHE 7 2HD PHE 7 -16.161 12.173 12.019 45 HE1 PHE 7 1HE PHE 7 -15.679 16.435 14.426 46 HE2 PHE 7 2HE PHE 7 -18.028 13.771 12.068 47 HZ PHE 7 HZ PHE 7 -17.789 15.908 13.271 48 HB2 PHE 7 2HB PHE 7 -14.084 11.499 12.732 49 HB3 PHE 7 1HB PHE 7 -13.400 12.246 14.173 50 H SER 8 HN SER 8 -10.602 12.674 13.945 51 HA SER 8 HA SER 8 -8.855 11.076 12.425 52 HG SER 8 HG SER 8 -8.620 11.322 16.436 53 HB2 SER 8 2HB SER 8 -7.680 10.738 14.628 54 HB3 SER 8 1HB SER 8 -7.988 12.426 14.220 55 H ALA 9 HN ALA 9 -11.428 10.266 14.666 56 HA ALA 9 HA ALA 9 -10.767 7.620 15.249 57 HB1 ALA 9 1HB ALA 9 -12.522 8.863 16.405 58 HB2 ALA 9 2HB ALA 9 -13.121 7.317 15.801 59 HB3 ALA 9 3HB ALA 9 -13.522 8.808 14.952 60 H LEU 10 HN LEU 10 -12.212 8.987 12.381 61 HA LEU 10 HA LEU 10 -13.197 6.539 11.306 62 HG LEU 10 HG LEU 10 -14.231 9.556 11.526 63 HB2 LEU 10 2HB LEU 10 -12.481 9.104 9.882 64 HB3 LEU 10 1HB LEU 10 -13.429 7.791 9.212 65 HD11 LEU 10 1HD1 LEU 10 -15.284 9.367 8.708 66 HD12 LEU 10 2HD1 LEU 10 -14.328 10.689 9.376 67 HD13 LEU 10 3HD1 LEU 10 -15.948 10.373 9.994 68 HD21 LEU 10 3HD2 LEU 10 -16.375 8.400 11.421 69 HD22 LEU 10 1HD2 LEU 10 -15.070 7.280 11.802 70 HD23 LEU 10 2HD2 LEU 10 -15.745 7.325 10.173 71 H TRP 11 HN TRP 11 -10.215 8.359 10.992 72 HA TRP 11 HA TRP 11 -9.036 6.602 9.055 73 HD1 TRP 11 1HD TRP 11 -5.638 8.543 11.593 74 HE1 TRP 11 1HE TRP 11 -3.440 7.700 10.571 75 HE3 TRP 11 3HE TRP 11 -7.404 6.936 7.068 76 HZ2 TRP 11 2HZ TRP 11 -2.562 6.509 8.174 77 HZ3 TRP 11 3HZ TRP 11 -5.807 5.956 5.467 78 HH2 TRP 11 2HH TRP 11 -3.436 5.750 6.015 79 HB2 TRP 11 2HB TRP 11 -8.248 8.831 9.047 80 HB3 TRP 11 1HB TRP 11 -8.026 8.845 10.788 81 H GLN 12 HN GLN 12 -8.673 7.161 12.508 82 HA GLN 12 HA GLN 12 -6.812 5.348 13.296 83 HB2 GLN 12 2HB GLN 12 -7.790 6.778 14.911 84 HB3 GLN 12 1HB GLN 12 -9.404 6.164 14.591 85 HG2 GLN 12 2HG GLN 12 -8.736 3.994 15.545 86 HG3 GLN 12 1HG GLN 12 -7.159 4.678 15.930 87 HE21 GLN 12 1HE2 GLN 12 -7.524 4.238 18.124 88 HE22 GLN 12 2HE2 GLN 12 -8.574 5.234 19.085 89 H ARG 13 HN ARG 13 -10.140 4.576 12.330 90 HA ARG 13 HA ARG 13 -10.218 1.988 13.419 91 HE ARG 13 HE ARG 13 -12.452 2.206 8.033 92 HB2 ARG 13 2HB ARG 13 -12.200 1.655 12.268 93 HB3 ARG 13 1HB ARG 13 -12.133 3.408 12.366 94 HG2 ARG 13 2HG ARG 13 -11.417 3.582 10.100 95 HG3 ARG 13 1HG ARG 13 -11.201 1.835 9.981 96 HD2 ARG 13 2HD ARG 13 -13.703 1.690 10.521 97 HD3 ARG 13 1HD ARG 13 -13.748 3.412 10.135 98 HH11 ARG 13 1HH1 ARG 13 -15.627 2.025 9.491 99 HH12 ARG 13 2HH1 ARG 13 -16.403 1.489 8.033 100 HH21 ARG 13 1HH2 ARG 13 -13.467 1.462 6.125 101 HH22 ARG 13 2HH2 ARG 13 -15.174 1.143 6.124 102 H LEU 14 HN LEU 14 -8.803 3.187 10.440 103 HA LEU 14 HA LEU 14 -8.454 0.600 9.260 104 HG LEU 14 HG LEU 14 -8.370 2.935 6.423 105 HB2 LEU 14 2HB LEU 14 -7.180 3.268 8.651 106 HB3 LEU 14 1HB LEU 14 -6.825 1.810 7.751 107 HD11 LEU 14 1HD1 LEU 14 -8.961 0.591 6.723 108 HD12 LEU 14 2HD1 LEU 14 -10.388 1.589 6.440 109 HD13 LEU 14 3HD1 LEU 14 -10.014 1.025 8.070 110 HD21 LEU 14 3HD2 LEU 14 -9.975 3.496 8.909 111 HD22 LEU 14 1HD2 LEU 14 -10.483 3.887 7.266 112 HD23 LEU 14 2HD2 LEU 14 -9.053 4.658 7.954 113 H LEU 15 HN LEU 15 -6.465 2.792 11.157 114 HA LEU 15 HA LEU 15 -4.060 1.320 11.046 115 HG LEU 15 HG LEU 15 -5.150 4.406 11.279 116 HB2 LEU 15 2HB LEU 15 -5.029 3.069 13.309 117 HB3 LEU 15 1HB LEU 15 -3.369 2.638 12.954 118 HD11 LEU 15 1HD1 LEU 15 -2.691 5.021 12.912 119 HD12 LEU 15 2HD1 LEU 15 -4.349 5.450 13.335 120 HD13 LEU 15 3HD1 LEU 15 -3.587 6.166 11.913 121 HD21 LEU 15 3HD2 LEU 15 -2.279 3.590 10.846 122 HD22 LEU 15 1HD2 LEU 15 -3.174 4.777 9.895 123 HD23 LEU 15 2HD2 LEU 15 -3.661 3.082 9.873 124 H THR 16 HN THR 16 -6.818 1.263 13.211 125 HA THR 16 HA THR 16 -5.777 -0.547 15.112 126 HB THR 16 HB THR 16 -8.692 -0.131 14.433 127 HG1 THR 16 1HG THR 16 -7.787 1.899 14.790 128 HG21 THR 16 3HG2 THR 16 -9.024 -0.599 16.828 129 HG22 THR 16 1HG2 THR 16 -7.293 -0.895 17.002 130 HG23 THR 16 2HG2 THR 16 -8.274 -1.958 15.991 131 H ARG 17 HN ARG 17 -7.195 -0.992 11.972 132 HA ARG 17 HA ARG 17 -7.989 -3.712 12.426 133 HE ARG 17 HE ARG 17 -10.078 -5.685 8.161 134 HB2 ARG 17 2HB ARG 17 -9.083 -2.113 10.788 135 HB3 ARG 17 1HB ARG 17 -7.682 -2.348 9.751 136 HG2 ARG 17 2HG ARG 17 -8.180 -4.646 9.450 137 HG3 ARG 17 1HG ARG 17 -9.396 -4.618 10.726 138 HD2 ARG 17 2HD ARG 17 -10.754 -3.084 9.359 139 HD3 ARG 17 1HD ARG 17 -9.550 -3.180 8.074 140 HH11 ARG 17 1HH1 ARG 17 -12.445 -3.198 8.927 141 HH12 ARG 17 2HH1 ARG 17 -13.778 -4.120 8.304 142 HH21 ARG 17 1HH2 ARG 17 -11.848 -6.876 7.355 143 HH22 ARG 17 2HH2 ARG 17 -13.449 -6.188 7.401 144 H GLY 18 HN GLY 18 -5.005 -2.264 11.937 145 HA2 GLY 18 2HA GLY 18 -3.164 -3.844 12.326 146 HA3 GLY 18 1HA GLY 18 -3.931 -4.907 11.161 147 H TRP 19 HN TRP 19 -3.967 -1.604 10.279 148 HA TRP 19 HA TRP 19 -1.829 -2.098 8.343 149 HD1 TRP 19 1HD TRP 19 -3.490 -3.497 7.701 150 HE1 TRP 19 1HE TRP 19 -5.382 -4.336 6.190 151 HE3 TRP 19 3HE TRP 19 -5.434 1.005 6.265 152 HZ2 TRP 19 2HZ TRP 19 -7.438 -3.239 4.592 153 HZ3 TRP 19 3HZ TRP 19 -7.359 1.022 4.737 154 HH2 TRP 19 2HH TRP 19 -8.336 -1.053 3.916 155 HB2 TRP 19 2HB TRP 19 -3.915 0.087 8.457 156 HB3 TRP 19 1HB TRP 19 -2.709 -0.092 7.185 157 H GLN 20 HN GLN 20 0.063 -1.046 8.384 158 HA GLN 20 HA GLN 20 0.596 0.712 10.625 159 HB2 GLN 20 2HB GLN 20 2.389 -0.612 8.585 160 HB3 GLN 20 1HB GLN 20 2.967 0.461 9.835 161 HG2 GLN 20 2HG GLN 20 3.369 -1.647 10.693 162 HG3 GLN 20 1HG GLN 20 1.872 -1.158 11.484 163 HE21 GLN 20 1HE2 GLN 20 2.101 -2.203 8.152 164 HE22 GLN 20 2HE2 GLN 20 1.222 -3.675 8.354 165 HA PRO 21 HA PRO 21 0.496 4.204 7.794 166 HB2 PRO 21 2HB PRO 21 0.713 6.131 9.656 167 HB3 PRO 21 1HB PRO 21 -0.794 5.247 9.405 168 HG2 PRO 21 2HG PRO 21 1.270 4.903 11.536 169 HG3 PRO 21 1HG PRO 21 -0.496 4.813 11.658 170 HD2 PRO 21 2HD PRO 21 1.185 2.625 11.493 171 HD3 PRO 21 1HD PRO 21 -0.535 2.612 11.059 172 H VAL 22 HN VAL 22 2.374 4.185 6.676 173 HA VAL 22 HA VAL 22 4.897 4.316 8.130 174 HB VAL 22 HB VAL 22 5.946 3.781 5.948 175 HG11 VAL 22 1HG1 VAL 22 5.148 1.465 5.832 176 HG12 VAL 22 2HG1 VAL 22 3.752 1.902 6.818 177 HG13 VAL 22 3HG1 VAL 22 5.376 1.996 7.498 178 HG21 VAL 22 3HG2 VAL 22 3.103 3.549 4.974 179 HG22 VAL 22 1HG2 VAL 22 4.548 3.089 4.073 180 HG23 VAL 22 2HG2 VAL 22 4.266 4.781 4.486 181 H GLU 23 HN GLU 23 6.678 5.458 6.750 182 HA GLU 23 HA GLU 23 5.755 8.210 6.264 183 HB2 GLU 23 2HB GLU 23 8.460 7.258 7.237 184 HB3 GLU 23 1HB GLU 23 8.003 8.930 6.962 185 HG2 GLU 23 2HG GLU 23 6.356 8.788 8.751 186 HG3 GLU 23 1HG GLU 23 6.787 7.099 9.016 187 H ALA 24 HN ALA 24 7.522 9.405 4.870 188 HA ALA 24 HA ALA 24 7.659 7.977 2.376 189 HB1 ALA 24 1HB ALA 24 8.594 10.040 1.483 190 HB2 ALA 24 2HB ALA 24 8.762 10.684 3.116 191 HB3 ALA 24 3HB ALA 24 7.159 10.373 2.450 192 H SER 25 HN SER 25 9.708 8.409 5.059 193 HA SER 25 HA SER 25 12.152 7.870 3.605 194 HG SER 25 HG SER 25 11.429 7.955 7.436 195 HB2 SER 25 2HB SER 25 13.034 7.868 6.066 196 HB3 SER 25 1HB SER 25 12.505 9.388 5.341 197 H THR 26 HN THR 26 10.251 6.303 6.172 198 HA THR 26 HA THR 26 11.931 4.013 6.297 199 HB THR 26 HB THR 26 10.605 4.807 8.222 200 HG1 THR 26 1HG THR 26 9.941 2.739 8.910 201 HG21 THR 26 3HG2 THR 26 8.234 3.771 6.672 202 HG22 THR 26 1HG2 THR 26 8.573 5.461 7.047 203 HG23 THR 26 2HG2 THR 26 8.213 4.326 8.348 204 H VAL 27 HN VAL 27 9.257 4.855 4.269 205 HA VAL 27 HA VAL 27 8.157 2.305 3.850 206 HB VAL 27 HB VAL 27 7.018 4.418 3.248 207 HG11 VAL 27 1HG1 VAL 27 8.915 4.445 0.904 208 HG12 VAL 27 2HG1 VAL 27 8.866 5.615 2.223 209 HG13 VAL 27 3HG1 VAL 27 7.510 5.493 1.102 210 HG21 VAL 27 3HG2 VAL 27 6.200 2.308 2.376 211 HG22 VAL 27 1HG2 VAL 27 7.297 2.428 1.001 212 HG23 VAL 27 2HG2 VAL 27 5.982 3.590 1.182 213 H ASP 28 HN ASP 28 10.899 3.915 2.340 214 HA ASP 28 HA ASP 28 11.078 2.253 0.060 215 HB2 ASP 28 2HB ASP 28 12.191 4.494 0.352 216 HB3 ASP 28 1HB ASP 28 13.348 3.714 1.427 217 H ASP 29 HN ASP 29 12.825 2.198 3.160 218 HA ASP 29 HA ASP 29 14.256 -0.188 2.606 219 HB2 ASP 29 2HB ASP 29 15.023 1.406 4.292 220 HB3 ASP 29 1HB ASP 29 13.585 1.108 5.257 221 H TRP 30 HN TRP 30 11.222 0.518 4.218 222 HA TRP 30 HA TRP 30 10.630 -1.972 5.296 223 HD1 TRP 30 1HD TRP 30 8.461 -1.841 7.431 224 HE1 TRP 30 1HE TRP 30 6.293 -3.229 7.461 225 HE3 TRP 30 3HE TRP 30 6.955 -1.092 2.603 226 HZ2 TRP 30 2HZ TRP 30 4.222 -3.904 5.677 227 HZ3 TRP 30 3HZ TRP 30 4.863 -2.145 1.847 228 HH2 TRP 30 2HH TRP 30 3.528 -3.522 3.357 229 HB2 TRP 30 2HB TRP 30 9.303 0.085 5.700 230 HB3 TRP 30 1HB TRP 30 8.684 -0.009 4.056 231 H ILE 31 HN ILE 31 9.855 -0.711 2.060 232 HA ILE 31 HA ILE 31 8.572 -3.041 1.124 233 HB ILE 31 HB ILE 31 9.963 -0.841 -0.403 234 HG12 ILE 31 2HG1 ILE 31 7.029 -1.350 0.126 235 HG13 ILE 31 1HG1 ILE 31 8.018 -0.182 0.994 236 HG21 ILE 31 1HG2 ILE 31 8.710 -1.631 -2.361 237 HG22 ILE 31 2HG2 ILE 31 8.132 -3.011 -1.428 238 HG23 ILE 31 3HG2 ILE 31 9.852 -2.843 -1.781 239 HD11 ILE 31 3HD1 ILE 31 8.374 1.057 -1.062 240 HD12 ILE 31 1HD1 ILE 31 6.657 0.884 -0.707 241 HD13 ILE 31 2HD1 ILE 31 7.407 -0.121 -1.946 242 H LYS 32 HN LYS 32 11.925 -1.940 0.894 243 HA LYS 32 HA LYS 32 12.931 -4.051 -0.659 244 HB2 LYS 32 2HB LYS 32 14.116 -1.912 -0.063 245 HB3 LYS 32 1HB LYS 32 14.367 -2.555 1.549 246 HG2 LYS 32 2HG LYS 32 15.372 -4.007 -0.871 247 HG3 LYS 32 1HG LYS 32 16.284 -2.690 -0.144 248 HD2 LYS 32 2HD LYS 32 15.433 -5.232 1.223 249 HD3 LYS 32 1HD LYS 32 17.064 -4.830 0.694 250 HE2 LYS 32 2HE LYS 32 17.039 -2.895 2.240 251 HE3 LYS 32 1HE LYS 32 15.454 -3.411 2.813 252 HZ1 LYS 32 3HZ LYS 32 18.019 -4.880 3.068 253 HZ2 LYS 32 1HZ LYS 32 16.510 -5.553 3.457 254 HZ3 LYS 32 2HZ LYS 32 17.090 -4.214 4.320 255 H ARG 33 HN ARG 33 12.324 -3.738 2.772 256 HA ARG 33 HA ARG 33 13.682 -6.077 3.634 257 HE ARG 33 HE ARG 33 11.300 -6.920 8.445 258 HB2 ARG 33 2HB ARG 33 13.214 -4.304 5.171 259 HB3 ARG 33 1HB ARG 33 11.503 -4.376 4.832 260 HG2 ARG 33 2HG ARG 33 11.522 -6.698 5.802 261 HG3 ARG 33 1HG ARG 33 13.157 -6.347 6.375 262 HD2 ARG 33 2HD ARG 33 12.434 -4.758 7.871 263 HD3 ARG 33 1HD ARG 33 10.974 -4.401 6.949 264 HH11 ARG 33 1HH1 ARG 33 9.504 -4.011 7.706 265 HH12 ARG 33 2HH1 ARG 33 8.080 -4.508 8.564 266 HH21 ARG 33 1HH2 ARG 33 9.429 -7.591 9.571 267 HH22 ARG 33 2HH2 ARG 33 8.029 -6.563 9.608 268 H VAL 34 HN VAL 34 10.288 -5.341 3.006 269 HA VAL 34 HA VAL 34 9.473 -8.024 3.659 270 HB VAL 34 HB VAL 34 7.205 -7.336 3.064 271 HG11 VAL 34 1HG1 VAL 34 8.680 -5.313 4.745 272 HG12 VAL 34 2HG1 VAL 34 8.025 -6.854 5.295 273 HG13 VAL 34 3HG1 VAL 34 6.936 -5.576 4.754 274 HG21 VAL 34 3HG2 VAL 34 6.710 -5.053 2.368 275 HG22 VAL 34 1HG2 VAL 34 7.718 -5.869 1.173 276 HG23 VAL 34 2HG2 VAL 34 8.434 -4.693 2.276 277 H GLY 35 HN GLY 35 9.917 -6.178 0.678 278 HA2 GLY 35 2HA GLY 35 10.307 -6.989 -1.452 279 HA3 GLY 35 1HA GLY 35 10.113 -8.626 -0.836 280 H ASP 36 HN ASP 36 7.650 -8.649 0.186 281 HA ASP 36 HA ASP 36 5.923 -8.008 -2.101 282 HB2 ASP 36 2HB ASP 36 5.656 -10.325 -0.169 283 HB3 ASP 36 1HB ASP 36 4.650 -10.011 -1.571 284 H GLY 37 HN GLY 37 4.140 -6.812 -1.678 285 HA2 GLY 37 2HA GLY 37 2.580 -6.842 0.604 286 HA3 GLY 37 1HA GLY 37 3.830 -5.642 0.905 287 H VAL 38 HN VAL 38 1.487 -4.563 0.980 288 HA VAL 38 HA VAL 38 1.204 -3.212 -1.606 289 HB VAL 38 HB VAL 38 -1.287 -3.121 -1.247 290 HG11 VAL 38 1HG1 VAL 38 -0.324 -4.572 -2.926 291 HG12 VAL 38 2HG1 VAL 38 -1.689 -5.377 -2.151 292 HG13 VAL 38 3HG1 VAL 38 -0.039 -5.825 -1.719 293 HG21 VAL 38 3HG2 VAL 38 -2.309 -4.853 0.151 294 HG22 VAL 38 1HG2 VAL 38 -1.346 -3.731 1.113 295 HG23 VAL 38 2HG2 VAL 38 -0.712 -5.333 0.727 296 H ILE 39 HN ILE 39 1.056 -1.075 -1.476 297 HA ILE 39 HA ILE 39 0.751 0.122 1.200 298 HB ILE 39 HB ILE 39 2.165 1.199 -1.255 299 HG12 ILE 39 2HG1 ILE 39 4.091 1.310 0.450 300 HG13 ILE 39 1HG1 ILE 39 3.106 0.246 1.445 301 HG21 ILE 39 1HG2 ILE 39 2.744 3.155 0.141 302 HG22 ILE 39 2HG2 ILE 39 1.641 2.560 1.382 303 HG23 ILE 39 3HG2 ILE 39 1.018 3.033 -0.197 304 HD11 ILE 39 3HD1 ILE 39 3.121 -1.422 -0.344 305 HD12 ILE 39 1HD1 ILE 39 4.750 -1.009 0.195 306 HD13 ILE 39 2HD1 ILE 39 4.130 -0.354 -1.321 307 H LEU 40 HN LEU 40 -0.980 1.343 1.574 308 HA LEU 40 HA LEU 40 -2.704 2.062 -0.702 309 HG LEU 40 HG LEU 40 -5.184 0.287 1.392 310 HB2 LEU 40 2HB LEU 40 -3.236 1.550 2.205 311 HB3 LEU 40 1HB LEU 40 -4.348 2.532 1.276 312 HD11 LEU 40 1HD1 LEU 40 -5.365 -0.232 -0.998 313 HD12 LEU 40 2HD1 LEU 40 -4.062 0.909 -1.332 314 HD13 LEU 40 3HD1 LEU 40 -5.591 1.486 -0.667 315 HD21 LEU 40 3HD2 LEU 40 -3.955 -1.608 0.416 316 HD22 LEU 40 1HD2 LEU 40 -3.139 -0.928 1.823 317 HD23 LEU 40 2HD2 LEU 40 -2.549 -0.564 0.202 318 H LEU 41 HN LEU 41 -3.010 4.164 -1.229 319 HA LEU 41 HA LEU 41 -1.707 6.157 0.453 320 HG LEU 41 HG LEU 41 -0.738 5.263 -2.368 321 HB2 LEU 41 2HB LEU 41 -2.917 6.307 -2.301 322 HB3 LEU 41 1HB LEU 41 -2.269 7.699 -1.458 323 HD11 LEU 41 1HD1 LEU 41 -0.561 8.155 -3.195 324 HD12 LEU 41 2HD1 LEU 41 -1.308 6.862 -4.133 325 HD13 LEU 41 3HD1 LEU 41 0.426 6.828 -3.810 326 HD21 LEU 41 3HD2 LEU 41 1.256 6.436 -1.529 327 HD22 LEU 41 1HD2 LEU 41 0.142 5.998 -0.235 328 HD23 LEU 41 2HD2 LEU 41 0.213 7.662 -0.810 329 H SER 42 HN SER 42 -2.918 8.278 0.722 330 HA SER 42 HA SER 42 -5.022 7.729 2.456 331 HG SER 42 HG SER 42 -5.107 10.447 3.786 332 HB2 SER 42 2HB SER 42 -3.534 9.664 2.669 333 HB3 SER 42 1HB SER 42 -4.250 10.386 1.231 334 H SER 43 HN SER 43 -5.583 10.105 -0.157 335 HA SER 43 HA SER 43 -7.897 8.653 -1.096 336 HG SER 43 HG SER 43 -7.749 11.419 1.479 337 HB2 SER 43 2HB SER 43 -9.504 10.427 -0.436 338 HB3 SER 43 1HB SER 43 -8.782 9.628 0.962 339 H ASP 44 HN ASP 44 -9.287 10.444 -2.439 340 HA ASP 44 HA ASP 44 -7.483 12.296 -3.808 341 HB2 ASP 44 2HB ASP 44 -7.606 10.210 -5.186 342 HB3 ASP 44 1HB ASP 44 -9.348 10.430 -5.299 343 HA PRO 45 HA PRO 45 -11.438 14.399 -3.144 344 HB2 PRO 45 2HB PRO 45 -10.412 16.581 -1.912 345 HB3 PRO 45 1HB PRO 45 -10.738 15.072 -1.057 346 HG2 PRO 45 2HG PRO 45 -8.171 16.288 -1.776 347 HG3 PRO 45 1HG PRO 45 -8.520 15.026 -0.584 348 HD2 PRO 45 2HD PRO 45 -7.500 14.740 -3.279 349 HD3 PRO 45 1HD PRO 45 -7.712 13.493 -2.035 350 H ARG 46 HN ARG 46 -9.934 14.349 -5.604 351 HA ARG 46 HA ARG 46 -10.410 17.127 -6.452 352 HE ARG 46 HE ARG 46 -5.898 18.640 -5.160 353 HB2 ARG 46 2HB ARG 46 -8.100 15.342 -7.182 354 HB3 ARG 46 1HB ARG 46 -8.567 16.710 -8.185 355 HG2 ARG 46 2HG ARG 46 -8.289 18.174 -6.190 356 HG3 ARG 46 1HG ARG 46 -7.652 16.776 -5.321 357 HD2 ARG 46 2HD ARG 46 -5.794 16.614 -6.802 358 HD3 ARG 46 1HD ARG 46 -6.490 17.808 -7.900 359 HH11 ARG 46 1HH1 ARG 46 -5.022 18.683 -8.541 360 HH12 ARG 46 2HH1 ARG 46 -4.054 20.119 -8.413 361 HH21 ARG 46 1HH2 ARG 46 -4.613 20.519 -4.966 362 HH22 ARG 46 2HH2 ARG 46 -3.836 21.176 -6.380 363 H ARG 47 HN ARG 47 -10.283 13.713 -7.409 364 HA ARG 47 HA ARG 47 -11.749 14.195 -9.831 365 HE ARG 47 HE ARG 47 -13.356 11.594 -12.646 366 HB2 ARG 47 2HB ARG 47 -10.279 12.165 -9.358 367 HB3 ARG 47 1HB ARG 47 -11.585 11.572 -8.337 368 HG2 ARG 47 2HG ARG 47 -11.721 10.567 -10.528 369 HG3 ARG 47 1HG ARG 47 -13.103 11.638 -10.272 370 HD2 ARG 47 2HD ARG 47 -11.445 13.387 -11.398 371 HD3 ARG 47 1HD ARG 47 -10.782 11.915 -12.105 372 HH11 ARG 47 1HH1 ARG 47 -11.243 14.356 -13.045 373 HH12 ARG 47 2HH1 ARG 47 -12.225 15.099 -14.274 374 HH21 ARG 47 1HH2 ARG 47 -14.675 12.578 -14.263 375 HH22 ARG 47 2HH2 ARG 47 -14.173 14.100 -14.955 376 H THR 48 HN THR 48 -12.454 13.807 -6.522 377 HA THR 48 HA THR 48 -14.335 13.691 -5.261 378 HB THR 48 HB THR 48 -15.579 15.375 -7.435 379 HG1 THR 48 1HG THR 48 -14.511 17.034 -5.835 380 HG21 THR 48 3HG2 THR 48 -17.037 14.744 -5.560 381 HG22 THR 48 1HG2 THR 48 -16.681 16.471 -5.537 382 HG23 THR 48 2HG2 THR 48 -15.854 15.386 -4.421 383 HA PRO 49 HA PRO 49 -16.434 10.496 -7.962 384 HB2 PRO 49 2HB PRO 49 -15.671 8.594 -5.879 385 HB3 PRO 49 1HB PRO 49 -15.329 8.545 -7.609 386 HG2 PRO 49 2HG PRO 49 -13.406 8.984 -5.752 387 HG3 PRO 49 1HG PRO 49 -13.339 9.670 -7.387 388 HD2 PRO 49 2HD PRO 49 -14.156 10.967 -4.813 389 HD3 PRO 49 1HD PRO 49 -13.179 11.622 -6.145 390 H GLU 50 HN GLU 50 -16.344 11.156 -4.538 391 HA GLU 50 HA GLU 50 -17.825 11.078 -2.843 392 HB2 GLU 50 2HB GLU 50 -19.245 12.415 -4.396 393 HB3 GLU 50 1HB GLU 50 -19.967 10.918 -4.970 394 HG2 GLU 50 2HG GLU 50 -21.354 12.090 -3.310 395 HG3 GLU 50 1HG GLU 50 -20.884 10.469 -2.796 396 H VAL 51 HN VAL 51 -18.453 9.493 -1.501 397 HA VAL 51 HA VAL 51 -18.399 7.351 -0.732 398 HB VAL 51 HB VAL 51 -19.966 6.645 -3.223 399 HG11 VAL 51 1HG1 VAL 51 -19.851 5.370 -0.491 400 HG12 VAL 51 2HG1 VAL 51 -19.186 4.711 -1.985 401 HG13 VAL 51 3HG1 VAL 51 -20.931 4.885 -1.799 402 HG21 VAL 51 3HG2 VAL 51 -21.993 7.093 -1.921 403 HG22 VAL 51 1HG2 VAL 51 -21.017 8.548 -2.119 404 HG23 VAL 51 2HG2 VAL 51 -21.002 7.679 -0.586 405 H SER 52 HN SER 52 -16.091 7.622 -1.319 406 HA SER 52 HA SER 52 -15.082 6.548 -3.750 407 HG SER 52 HG SER 52 -13.606 6.711 -0.362 408 HB2 SER 52 2HB SER 52 -12.864 6.747 -2.461 409 HB3 SER 52 1HB SER 52 -13.772 8.233 -2.747 410 H ASP 53 HN ASP 53 -13.790 4.692 -4.029 411 HA ASP 53 HA ASP 53 -14.701 2.350 -2.777 412 HB2 ASP 53 2HB ASP 53 -12.145 2.790 -4.345 413 HB3 ASP 53 1HB ASP 53 -12.877 1.228 -3.993 414 H ASN 54 HN ASN 54 -14.390 1.934 -0.697 415 HA ASN 54 HA ASN 54 -12.054 2.895 0.702 416 HB2 ASN 54 2HB ASN 54 -14.405 2.886 1.663 417 HB3 ASN 54 1HB ASN 54 -14.263 1.138 1.792 418 HD21 ASN 54 1HD2 ASN 54 -14.536 3.358 3.777 419 HD22 ASN 54 2HD2 ASN 54 -13.244 3.101 4.897 420 HA PRO 55 HA PRO 55 -9.879 -0.821 -0.376 421 HB2 PRO 55 2HB PRO 55 -7.555 -0.234 0.862 422 HB3 PRO 55 1HB PRO 55 -8.066 0.563 -0.629 423 HG2 PRO 55 2HG PRO 55 -8.267 1.532 2.198 424 HG3 PRO 55 1HG PRO 55 -7.753 2.415 0.749 425 HD2 PRO 55 2HD PRO 55 -10.243 2.633 1.797 426 HD3 PRO 55 1HD PRO 55 -9.914 2.791 0.061 427 H VAL 56 HN VAL 56 -11.352 -0.369 2.447 428 HA VAL 56 HA VAL 56 -9.825 -1.939 4.251 429 HB VAL 56 HB VAL 56 -11.594 -0.329 4.927 430 HG11 VAL 56 1HG1 VAL 56 -13.304 -0.871 3.311 431 HG12 VAL 56 2HG1 VAL 56 -13.931 -1.050 4.948 432 HG13 VAL 56 3HG1 VAL 56 -13.490 -2.478 4.009 433 HG21 VAL 56 3HG2 VAL 56 -12.477 -1.699 6.777 434 HG22 VAL 56 1HG2 VAL 56 -10.743 -1.901 6.530 435 HG23 VAL 56 2HG2 VAL 56 -11.863 -3.139 5.964 436 H MET 57 HN MET 57 -11.920 -2.697 1.642 437 HA MET 57 HA MET 57 -12.351 -5.444 2.435 438 HB2 MET 57 2HB MET 57 -12.985 -3.918 -0.084 439 HB3 MET 57 1HB MET 57 -13.238 -5.651 0.049 440 HG2 MET 57 2HG MET 57 -15.317 -4.767 0.506 441 HG3 MET 57 1HG MET 57 -14.654 -5.084 2.107 442 HE1 MET 57 3HE MET 57 -16.805 -1.867 2.662 443 HE2 MET 57 1HE MET 57 -16.571 -3.565 3.076 444 HE3 MET 57 2HE MET 57 -17.175 -3.121 1.479 445 H ILE 58 HN ILE 58 -9.635 -3.949 1.432 446 HA ILE 58 HA ILE 58 -8.758 -5.486 -0.768 447 HB ILE 58 HB ILE 58 -7.741 -3.309 0.108 448 HG12 ILE 58 2HG1 ILE 58 -5.431 -3.959 -0.626 449 HG13 ILE 58 1HG1 ILE 58 -5.962 -5.638 -0.642 450 HG21 ILE 58 1HG2 ILE 58 -7.410 -3.985 2.427 451 HG22 ILE 58 2HG2 ILE 58 -5.882 -3.519 1.682 452 HG23 ILE 58 3HG2 ILE 58 -6.265 -5.224 1.913 453 HD11 ILE 58 3HD1 ILE 58 -5.984 -4.663 -2.869 454 HD12 ILE 58 1HD1 ILE 58 -7.108 -3.419 -2.320 455 HD13 ILE 58 2HD1 ILE 58 -7.610 -5.111 -2.349 456 H ALA 59 HN ALA 59 -9.044 -6.221 2.554 457 HA ALA 59 HA ALA 59 -6.980 -8.075 2.926 458 HB1 ALA 59 1HB ALA 59 -8.256 -7.106 4.767 459 HB2 ALA 59 2HB ALA 59 -8.275 -8.867 4.835 460 HB3 ALA 59 3HB ALA 59 -9.690 -7.991 4.249 461 H GLU 60 HN GLU 60 -10.300 -8.524 1.726 462 HA GLU 60 HA GLU 60 -10.117 -11.371 1.717 463 HB2 GLU 60 2HB GLU 60 -12.235 -11.351 0.529 464 HB3 GLU 60 1HB GLU 60 -12.283 -10.224 1.877 465 HG2 GLU 60 2HG GLU 60 -11.940 -8.363 0.335 466 HG3 GLU 60 1HG GLU 60 -11.878 -9.495 -1.015 467 H LEU 61 HN LEU 61 -9.353 -8.865 -0.561 468 HA LEU 61 HA LEU 61 -9.202 -10.434 -2.909 469 HG LEU 61 HG LEU 61 -8.239 -7.354 -4.653 470 HB2 LEU 61 2HB LEU 61 -9.173 -7.855 -2.544 471 HB3 LEU 61 1HB LEU 61 -7.448 -8.064 -2.364 472 HD11 LEU 61 1HD1 LEU 61 -6.684 -9.929 -4.490 473 HD12 LEU 61 2HD1 LEU 61 -6.022 -8.305 -4.306 474 HD13 LEU 61 3HD1 LEU 61 -6.699 -8.810 -5.855 475 HD21 LEU 61 3HD2 LEU 61 -9.132 -9.078 -6.127 476 HD22 LEU 61 1HD2 LEU 61 -10.225 -8.761 -4.779 477 HD23 LEU 61 2HD2 LEU 61 -9.210 -10.203 -4.770 478 H LEU 62 HN LEU 62 -6.765 -9.364 -0.587 479 HA LEU 62 HA LEU 62 -4.560 -10.684 -1.713 480 HG LEU 62 HG LEU 62 -2.772 -9.095 -0.785 481 HB2 LEU 62 2HB LEU 62 -5.187 -9.560 0.974 482 HB3 LEU 62 1HB LEU 62 -3.785 -10.599 0.821 483 HD11 LEU 62 1HD1 LEU 62 -5.257 -7.413 -0.503 484 HD12 LEU 62 2HD1 LEU 62 -4.781 -8.330 -1.933 485 HD13 LEU 62 3HD1 LEU 62 -3.798 -6.970 -1.392 486 HD21 LEU 62 3HD2 LEU 62 -2.395 -8.640 1.566 487 HD22 LEU 62 1HD2 LEU 62 -3.843 -7.633 1.622 488 HD23 LEU 62 2HD2 LEU 62 -2.460 -7.133 0.649 489 H ARG 63 HN ARG 63 -7.186 -11.916 0.147 490 HA ARG 63 HA ARG 63 -5.891 -14.245 1.156 491 HE ARG 63 HE ARG 63 -8.722 -15.551 3.720 492 HB2 ARG 63 2HB ARG 63 -8.809 -13.609 0.733 493 HB3 ARG 63 1HB ARG 63 -8.235 -15.083 1.500 494 HG2 ARG 63 2HG ARG 63 -7.135 -13.709 3.232 495 HG3 ARG 63 1HG ARG 63 -7.826 -12.269 2.482 496 HD2 ARG 63 2HD ARG 63 -9.172 -13.003 4.379 497 HD3 ARG 63 1HD ARG 63 -10.072 -13.128 2.868 498 HH11 ARG 63 1HH1 ARG 63 -11.698 -13.695 3.777 499 HH12 ARG 63 2HH1 ARG 63 -12.705 -15.074 4.092 500 HH21 ARG 63 1HH2 ARG 63 -10.028 -17.362 4.137 501 HH22 ARG 63 2HH2 ARG 63 -11.753 -17.172 4.295 502 H GLU 64 HN GLU 64 -6.875 -13.374 -1.963 503 HA GLU 64 HA GLU 64 -7.368 -16.088 -2.843 504 HB2 GLU 64 2HB GLU 64 -7.360 -13.405 -4.211 505 HB3 GLU 64 1HB GLU 64 -7.500 -14.908 -5.106 506 HG2 GLU 64 2HG GLU 64 -9.357 -14.209 -2.862 507 HG3 GLU 64 1HG GLU 64 -9.650 -13.691 -4.521 508 H PHE 65 HN PHE 65 -4.726 -14.166 -2.206 509 HA PHE 65 HA PHE 65 -3.033 -15.824 -3.960 510 HD1 PHE 65 1HD PHE 65 -3.485 -15.019 -6.072 511 HD2 PHE 65 2HD PHE 65 -3.308 -11.191 -4.226 512 HE1 PHE 65 1HE PHE 65 -4.796 -14.072 -7.924 513 HE2 PHE 65 2HE PHE 65 -4.628 -10.240 -6.070 514 HZ PHE 65 HZ PHE 65 -5.374 -11.679 -7.920 515 HB2 PHE 65 2HB PHE 65 -2.393 -12.980 -3.146 516 HB3 PHE 65 1HB PHE 65 -1.513 -13.983 -4.289 517 HA PRO 66 HA PRO 66 -2.022 -16.066 0.606 518 HB2 PRO 66 2HB PRO 66 -2.336 -18.708 0.992 519 HB3 PRO 66 1HB PRO 66 -3.714 -17.599 0.970 520 HG2 PRO 66 2HG PRO 66 -2.700 -19.417 -1.178 521 HG3 PRO 66 1HG PRO 66 -4.372 -19.091 -0.687 522 HD2 PRO 66 2HD PRO 66 -3.154 -17.927 -2.853 523 HD3 PRO 66 1HD PRO 66 -4.502 -17.197 -1.963 524 H GLN 67 HN GLN 67 -0.548 -16.872 -2.153 525 HA GLN 67 HA GLN 67 1.461 -18.708 -1.364 526 HB2 GLN 67 2HB GLN 67 1.363 -16.680 -3.594 527 HB3 GLN 67 1HB GLN 67 2.645 -17.865 -3.410 528 HG2 GLN 67 2HG GLN 67 1.002 -19.662 -3.642 529 HG3 GLN 67 1HG GLN 67 -0.270 -18.457 -3.847 530 HE21 GLN 67 1HE2 GLN 67 2.550 -19.918 -5.266 531 HE22 GLN 67 2HE2 GLN 67 2.276 -19.344 -6.881 532 H PHE 68 HN PHE 68 1.316 -15.182 -1.510 533 HA PHE 68 HA PHE 68 4.056 -15.013 -0.497 534 HD1 PHE 68 2HD PHE 68 4.869 -14.839 -2.864 535 HD2 PHE 68 1HD PHE 68 1.396 -12.451 -3.284 536 HE1 PHE 68 2HE PHE 68 4.825 -15.339 -5.278 537 HE2 PHE 68 1HE PHE 68 1.331 -12.931 -5.686 538 HZ PHE 68 HZ PHE 68 3.044 -14.384 -6.693 539 HB2 PHE 68 2HB PHE 68 2.322 -12.662 -1.226 540 HB3 PHE 68 1HB PHE 68 4.079 -12.771 -1.226 541 H ASP 69 HN ASP 69 4.508 -13.497 1.281 542 HA ASP 69 HA ASP 69 2.349 -13.464 3.255 543 HB2 ASP 69 2HB ASP 69 4.465 -14.330 4.086 544 HB3 ASP 69 1HB ASP 69 5.305 -12.876 3.553 545 H TRP 70 HN TRP 70 1.119 -11.851 2.287 546 HA TRP 70 HA TRP 70 2.206 -9.360 1.469 547 HD1 TRP 70 1HD TRP 70 -0.288 -12.480 0.811 548 HE1 TRP 70 1HE TRP 70 -0.321 -13.028 -1.702 549 HE3 TRP 70 3HE TRP 70 0.407 -7.767 -1.063 550 HZ2 TRP 70 2HZ TRP 70 -0.102 -11.647 -4.145 551 HZ3 TRP 70 3HZ TRP 70 0.480 -7.473 -3.505 552 HH2 TRP 70 2HH TRP 70 0.232 -9.383 -5.014 553 HB2 TRP 70 2HB TRP 70 -0.663 -10.060 2.080 554 HB3 TRP 70 1HB TRP 70 -0.113 -8.642 1.201 555 H GLN 71 HN GLN 71 2.294 -7.458 2.463 556 HA GLN 71 HA GLN 71 1.236 -7.231 5.179 557 HB2 GLN 71 2HB GLN 71 4.006 -6.595 4.220 558 HB3 GLN 71 1HB GLN 71 3.329 -5.792 5.634 559 HG2 GLN 71 2HG GLN 71 3.308 -7.705 6.886 560 HG3 GLN 71 1HG GLN 71 3.190 -8.754 5.476 561 HE21 GLN 71 1HE2 GLN 71 5.024 -9.277 4.328 562 HE22 GLN 71 2HE2 GLN 71 6.600 -9.069 4.989 563 H VAL 72 HN VAL 72 -0.024 -5.503 5.426 564 HA VAL 72 HA VAL 72 -0.203 -3.649 3.171 565 HB VAL 72 HB VAL 72 -2.124 -3.954 5.484 566 HG11 VAL 72 1HG1 VAL 72 -3.706 -2.826 3.989 567 HG12 VAL 72 2HG1 VAL 72 -2.434 -2.660 2.776 568 HG13 VAL 72 3HG1 VAL 72 -2.294 -1.821 4.323 569 HG21 VAL 72 3HG2 VAL 72 -3.505 -5.300 3.998 570 HG22 VAL 72 1HG2 VAL 72 -1.932 -6.057 4.244 571 HG23 VAL 72 2HG2 VAL 72 -2.272 -5.199 2.740 572 H ALA 73 HN ALA 73 0.488 -1.633 3.286 573 HA ALA 73 HA ALA 73 0.746 -0.377 5.939 574 HB1 ALA 73 1HB ALA 73 2.972 -0.924 5.087 575 HB2 ALA 73 2HB ALA 73 2.724 0.822 5.132 576 HB3 ALA 73 3HB ALA 73 2.623 -0.044 3.597 577 H VAL 74 HN VAL 74 0.337 1.880 5.991 578 HA VAL 74 HA VAL 74 -1.077 2.916 3.624 579 HB VAL 74 HB VAL 74 -2.751 3.965 5.136 580 HG11 VAL 74 1HG1 VAL 74 -4.025 1.898 5.584 581 HG12 VAL 74 2HG1 VAL 74 -2.577 0.956 5.225 582 HG13 VAL 74 3HG1 VAL 74 -3.328 1.936 3.966 583 HG21 VAL 74 3HG2 VAL 74 -1.518 2.181 7.238 584 HG22 VAL 74 1HG2 VAL 74 -2.992 3.132 7.425 585 HG23 VAL 74 2HG2 VAL 74 -1.442 3.944 7.201 586 H ALA 75 HN ALA 75 -1.405 5.277 3.708 587 HA ALA 75 HA ALA 75 0.732 6.648 5.207 588 HB1 ALA 75 1HB ALA 75 0.992 8.163 3.300 589 HB2 ALA 75 2HB ALA 75 -0.226 7.254 2.410 590 HB3 ALA 75 3HB ALA 75 1.305 6.490 2.836 591 H ASP 76 HN ASP 76 0.092 8.335 6.413 592 HA ASP 76 HA ASP 76 -2.621 8.770 6.939 593 HB2 ASP 76 2HB ASP 76 -0.237 10.503 7.615 594 HB3 ASP 76 1HB ASP 76 -1.850 10.720 8.284 595 H LEU 77 HN LEU 77 -0.551 11.496 6.012 596 HA LEU 77 HA LEU 77 -2.581 12.273 4.034 597 HG LEU 77 HG LEU 77 -4.192 13.105 5.719 598 HB2 LEU 77 2HB LEU 77 -1.392 14.089 6.133 599 HB3 LEU 77 1HB LEU 77 -2.319 14.650 4.759 600 HD11 LEU 77 1HD1 LEU 77 -2.831 12.021 7.423 601 HD12 LEU 77 2HD1 LEU 77 -4.143 12.939 8.159 602 HD13 LEU 77 3HD1 LEU 77 -2.502 13.585 8.169 603 HD21 LEU 77 3HD2 LEU 77 -3.400 15.692 7.042 604 HD22 LEU 77 1HD2 LEU 77 -5.006 14.963 7.081 605 HD23 LEU 77 2HD2 LEU 77 -4.329 15.528 5.552 606 H GLU 78 HN GLU 78 0.315 13.911 5.272 607 HA GLU 78 HA GLU 78 1.170 14.775 2.754 608 HB2 GLU 78 2HB GLU 78 3.301 15.284 3.955 609 HB3 GLU 78 1HB GLU 78 1.867 15.949 4.703 610 HG2 GLU 78 2HG GLU 78 2.789 13.310 5.662 611 HG3 GLU 78 1HG GLU 78 3.776 14.711 6.076 612 H GLN 79 HN GLN 79 1.863 11.895 4.589 613 HA GLN 79 HA GLN 79 4.137 10.991 3.267 614 HB2 GLN 79 2HB GLN 79 1.880 9.316 4.384 615 HB3 GLN 79 1HB GLN 79 3.486 8.726 3.979 616 HG2 GLN 79 2HG GLN 79 3.755 9.006 6.208 617 HG3 GLN 79 1HG GLN 79 4.210 10.623 5.672 618 HE21 GLN 79 1HE2 GLN 79 3.123 9.704 8.227 619 HE22 GLN 79 2HE2 GLN 79 1.677 10.614 8.488 620 H SER 80 HN SER 80 0.731 10.719 2.374 621 HA SER 80 HA SER 80 1.038 8.927 0.229 622 HG SER 80 HG SER 80 -1.644 9.843 2.142 623 HB2 SER 80 2HB SER 80 -1.025 11.116 0.592 624 HB3 SER 80 1HB SER 80 -1.147 9.770 -0.542 625 H GLU 81 HN GLU 81 1.367 12.406 0.462 626 HA GLU 81 HA GLU 81 1.482 12.955 -2.314 627 HB2 GLU 81 2HB GLU 81 1.046 14.598 -0.435 628 HB3 GLU 81 1HB GLU 81 2.768 14.543 -0.093 629 HG2 GLU 81 2HG GLU 81 2.267 16.480 -1.408 630 HG3 GLU 81 1HG GLU 81 3.213 15.349 -2.375 631 H ALA 82 HN ALA 82 3.914 12.284 0.147 632 HA ALA 82 HA ALA 82 6.133 12.672 -1.630 633 HB1 ALA 82 1HB ALA 82 6.082 11.348 1.074 634 HB2 ALA 82 2HB ALA 82 6.262 13.081 0.798 635 HB3 ALA 82 3HB ALA 82 7.498 11.962 0.221 636 H ILE 83 HN ILE 83 4.498 9.849 -0.217 637 HA ILE 83 HA ILE 83 6.235 7.906 -1.301 638 HB ILE 83 HB ILE 83 3.376 7.684 -0.369 639 HG12 ILE 83 2HG1 ILE 83 5.990 6.861 0.925 640 HG13 ILE 83 1HG1 ILE 83 5.031 8.272 1.363 641 HG21 ILE 83 1HG2 ILE 83 3.820 5.906 -1.968 642 HG22 ILE 83 2HG2 ILE 83 3.701 5.256 -0.333 643 HG23 ILE 83 3HG2 ILE 83 5.282 5.459 -1.090 644 HD11 ILE 83 3HD1 ILE 83 4.686 6.471 2.938 645 HD12 ILE 83 1HD1 ILE 83 4.187 5.394 1.631 646 HD13 ILE 83 2HD1 ILE 83 3.200 6.797 2.045 647 H GLY 84 HN GLY 84 3.183 9.276 -2.460 648 HA2 GLY 84 2HA GLY 84 2.804 7.637 -4.687 649 HA3 GLY 84 1HA GLY 84 2.238 9.296 -4.548 650 H ASP 85 HN ASP 85 4.458 10.784 -4.502 651 HA ASP 85 HA ASP 85 5.230 10.790 -7.222 652 HB2 ASP 85 2HB ASP 85 5.120 12.808 -5.744 653 HB3 ASP 85 1HB ASP 85 6.595 12.250 -4.967 654 H ARG 86 HN ARG 86 6.708 9.528 -4.324 655 HA ARG 86 HA ARG 86 9.295 9.011 -5.196 656 HE ARG 86 HE ARG 86 11.725 5.617 -2.792 657 HB2 ARG 86 2HB ARG 86 8.613 8.641 -2.894 658 HB3 ARG 86 1HB ARG 86 7.518 7.362 -3.389 659 HG2 ARG 86 2HG ARG 86 9.479 6.394 -2.408 660 HG3 ARG 86 1HG ARG 86 9.455 6.031 -4.134 661 HD2 ARG 86 2HD ARG 86 11.097 7.721 -4.575 662 HD3 ARG 86 1HD ARG 86 11.016 8.301 -2.910 663 HH11 ARG 86 1HH1 ARG 86 13.089 8.566 -4.115 664 HH12 ARG 86 2HH1 ARG 86 14.732 8.051 -3.883 665 HH21 ARG 86 1HH2 ARG 86 13.872 4.943 -2.477 666 HH22 ARG 86 2HH2 ARG 86 15.181 6.011 -2.933 667 H PHE 87 HN PHE 87 6.332 7.146 -5.730 668 HA PHE 87 HA PHE 87 7.823 5.310 -7.470 669 HD1 PHE 87 1HD PHE 87 8.337 3.725 -6.049 670 HD2 PHE 87 2HD PHE 87 4.458 4.443 -4.465 671 HE1 PHE 87 1HE PHE 87 9.056 2.801 -3.887 672 HE2 PHE 87 2HE PHE 87 5.167 3.517 -2.301 673 HZ PHE 87 HZ PHE 87 7.471 2.698 -2.007 674 HB2 PHE 87 2HB PHE 87 4.938 5.152 -6.586 675 HB3 PHE 87 1HB PHE 87 5.848 3.899 -7.426 676 H ASN 88 HN ASN 88 6.437 8.192 -7.777 677 HA ASN 88 HA ASN 88 5.788 9.478 -9.517 678 HB2 ASN 88 2HB ASN 88 6.587 7.053 -11.121 679 HB3 ASN 88 1HB ASN 88 5.929 8.500 -11.873 680 HD21 ASN 88 1HD2 ASN 88 8.055 8.447 -9.073 681 HD22 ASN 88 2HD2 ASN 88 9.393 9.214 -9.852 682 H VAL 89 HN VAL 89 4.027 7.630 -8.043 683 HA VAL 89 HA VAL 89 1.804 7.280 -9.904 684 HB VAL 89 HB VAL 89 2.020 6.616 -6.956 685 HG11 VAL 89 1HG1 VAL 89 -0.142 5.915 -8.938 686 HG12 VAL 89 2HG1 VAL 89 -0.286 7.060 -7.603 687 HG13 VAL 89 3HG1 VAL 89 -0.043 5.345 -7.272 688 HG21 VAL 89 3HG2 VAL 89 3.486 5.225 -8.282 689 HG22 VAL 89 1HG2 VAL 89 2.171 4.849 -9.395 690 HG23 VAL 89 2HG2 VAL 89 2.108 4.276 -7.727 691 H ARG 90 HN ARG 90 0.836 9.156 -10.346 692 HA ARG 90 HA ARG 90 0.220 10.961 -8.100 693 HE ARG 90 HE ARG 90 3.650 12.938 -9.981 694 HB2 ARG 90 2HB ARG 90 0.605 12.861 -9.727 695 HB3 ARG 90 1HB ARG 90 2.045 12.003 -9.193 696 HG2 ARG 90 2HG ARG 90 1.975 10.693 -11.300 697 HG3 ARG 90 1HG ARG 90 0.628 11.701 -11.832 698 HD2 ARG 90 2HD ARG 90 2.751 12.483 -12.758 699 HD3 ARG 90 1HD ARG 90 2.032 13.681 -11.686 700 HH11 ARG 90 1HH1 ARG 90 4.298 12.140 -13.329 701 HH12 ARG 90 2HH1 ARG 90 6.027 12.168 -13.138 702 HH21 ARG 90 1HH2 ARG 90 5.939 12.924 -9.700 703 HH22 ARG 90 2HH2 ARG 90 6.957 12.586 -11.072 704 H ARG 91 HN ARG 91 -0.883 9.232 -10.782 705 HA ARG 91 HA ARG 91 -3.358 10.813 -10.902 706 HE ARG 91 HE ARG 91 -1.287 12.370 -15.115 707 HB2 ARG 91 2HB ARG 91 -2.294 8.695 -12.783 708 HB3 ARG 91 1HB ARG 91 -3.833 9.526 -12.973 709 HG2 ARG 91 2HG ARG 91 -2.704 11.639 -13.253 710 HG3 ARG 91 1HG ARG 91 -1.144 10.877 -12.943 711 HD2 ARG 91 2HD ARG 91 -1.370 9.537 -14.951 712 HD3 ARG 91 1HD ARG 91 -2.976 10.203 -15.242 713 HH11 ARG 91 1HH1 ARG 91 -1.540 9.489 -17.086 714 HH12 ARG 91 2HH1 ARG 91 -0.848 10.241 -18.495 715 HH21 ARG 91 1HH2 ARG 91 -0.397 13.372 -16.964 716 HH22 ARG 91 2HH2 ARG 91 -0.208 12.451 -18.429 717 H PHE 92 HN PHE 92 -4.588 10.137 -9.262 718 HA PHE 92 HA PHE 92 -5.867 8.845 -7.918 719 HD1 PHE 92 2HD PHE 92 -8.320 8.115 -8.236 720 HD2 PHE 92 1HD PHE 92 -6.315 7.558 -11.950 721 HE1 PHE 92 2HE PHE 92 -10.271 9.030 -9.425 722 HE2 PHE 92 1HE PHE 92 -8.263 8.469 -13.142 723 HZ PHE 92 HZ PHE 92 -10.246 9.206 -11.880 724 HB2 PHE 92 2HB PHE 92 -5.361 6.736 -10.019 725 HB3 PHE 92 1HB PHE 92 -6.360 6.458 -8.597 726 HA PRO 93 HA PRO 93 -2.596 7.513 -5.223 727 HB2 PRO 93 2HB PRO 93 -4.335 6.619 -3.246 728 HB3 PRO 93 1HB PRO 93 -3.728 8.266 -3.405 729 HG2 PRO 93 2HG PRO 93 -6.335 7.110 -4.276 730 HG3 PRO 93 1HG PRO 93 -5.988 8.708 -3.588 731 HD2 PRO 93 2HD PRO 93 -6.446 8.376 -6.210 732 HD3 PRO 93 1HD PRO 93 -5.256 9.558 -5.619 733 H ALA 94 HN ALA 94 -5.093 5.295 -4.168 734 HA ALA 94 HA ALA 94 -5.731 3.202 -4.852 735 HB1 ALA 94 1HB ALA 94 -4.808 2.150 -6.835 736 HB2 ALA 94 2HB ALA 94 -3.587 3.419 -6.953 737 HB3 ALA 94 3HB ALA 94 -5.292 3.814 -7.168 738 H THR 95 HN THR 95 -4.660 0.952 -5.140 739 HA THR 95 HA THR 95 -2.854 0.607 -2.915 740 HB THR 95 HB THR 95 -3.834 -1.554 -4.778 741 HG1 THR 95 1HG THR 95 -5.210 -0.312 -2.616 742 HG21 THR 95 3HG2 THR 95 -2.131 -2.191 -3.145 743 HG22 THR 95 1HG2 THR 95 -3.679 -2.944 -2.760 744 HG23 THR 95 2HG2 THR 95 -3.126 -1.543 -1.843 745 H LEU 96 HN LEU 96 -0.685 0.527 -3.145 746 HA LEU 96 HA LEU 96 0.430 0.116 -5.810 747 HG LEU 96 HG LEU 96 2.560 2.812 -4.417 748 HB2 LEU 96 2HB LEU 96 1.707 0.815 -3.165 749 HB3 LEU 96 1HB LEU 96 2.632 0.458 -4.609 750 HD11 LEU 96 1HD1 LEU 96 2.233 1.975 -6.674 751 HD12 LEU 96 2HD1 LEU 96 1.385 3.503 -6.433 752 HD13 LEU 96 3HD1 LEU 96 0.486 1.986 -6.434 753 HD21 LEU 96 3HD2 LEU 96 -0.432 2.605 -4.117 754 HD22 LEU 96 1HD2 LEU 96 0.499 4.101 -4.206 755 HD23 LEU 96 2HD2 LEU 96 0.715 3.006 -2.839 756 H VAL 97 HN VAL 97 1.125 -1.778 -6.485 757 HA VAL 97 HA VAL 97 1.057 -3.995 -4.566 758 HB VAL 97 HB VAL 97 1.047 -4.151 -7.584 759 HG11 VAL 97 1HG1 VAL 97 0.280 -6.446 -7.217 760 HG12 VAL 97 2HG1 VAL 97 0.425 -6.214 -5.475 761 HG13 VAL 97 3HG1 VAL 97 1.866 -6.172 -6.491 762 HG21 VAL 97 3HG2 VAL 97 -0.957 -3.012 -6.817 763 HG22 VAL 97 1HG2 VAL 97 -1.258 -4.293 -5.645 764 HG23 VAL 97 2HG2 VAL 97 -1.353 -4.637 -7.372 765 H PHE 98 HN PHE 98 2.961 -4.426 -3.720 766 HA PHE 98 HA PHE 98 5.291 -4.453 -5.504 767 HD1 PHE 98 2HD PHE 98 7.834 -3.372 -4.882 768 HD2 PHE 98 1HD PHE 98 4.463 -1.548 -3.041 769 HE1 PHE 98 2HE PHE 98 8.610 -1.180 -5.655 770 HE2 PHE 98 1HE PHE 98 5.235 0.658 -3.810 771 HZ PHE 98 HZ PHE 98 7.313 0.848 -5.116 772 HB2 PHE 98 2HB PHE 98 4.992 -3.817 -2.603 773 HB3 PHE 98 1HB PHE 98 6.506 -4.524 -3.163 774 H THR 99 HN THR 99 6.308 -6.253 -5.879 775 HA THR 99 HA THR 99 6.108 -8.527 -4.084 776 HB THR 99 HB THR 99 5.662 -9.934 -6.307 777 HG1 THR 99 1HG THR 99 4.291 -7.473 -6.728 778 HG21 THR 99 3HG2 THR 99 3.460 -8.621 -4.705 779 HG22 THR 99 1HG2 THR 99 4.327 -10.091 -4.259 780 HG23 THR 99 2HG2 THR 99 3.294 -10.076 -5.689 781 H ASP 100 HN ASP 100 7.973 -9.635 -4.060 782 HA ASP 100 HA ASP 100 10.149 -10.192 -4.498 783 HB2 ASP 100 2HB ASP 100 9.155 -10.990 -6.645 784 HB3 ASP 100 1HB ASP 100 9.487 -9.422 -7.353 785 H GLY 101 HN GLY 101 9.242 -7.383 -3.938 786 HA2 GLY 101 2HA GLY 101 10.274 -5.338 -3.648 787 HA3 GLY 101 1HA GLY 101 11.740 -6.037 -4.326 788 H LYS 102 HN LYS 102 9.195 -6.595 -6.402 789 HA LYS 102 HA LYS 102 10.040 -4.382 -8.126 790 HB2 LYS 102 2HB LYS 102 8.317 -6.777 -8.793 791 HB3 LYS 102 1HB LYS 102 8.996 -5.629 -9.937 792 HG2 LYS 102 2HG LYS 102 10.590 -7.501 -8.198 793 HG3 LYS 102 1HG LYS 102 10.209 -7.756 -9.902 794 HD2 LYS 102 2HD LYS 102 11.429 -5.725 -10.486 795 HD3 LYS 102 1HD LYS 102 11.795 -5.449 -8.780 796 HE2 LYS 102 2HE LYS 102 12.657 -7.840 -10.403 797 HE3 LYS 102 1HE LYS 102 13.681 -6.473 -9.973 798 HZ1 LYS 102 3HZ LYS 102 12.465 -8.458 -8.121 799 HZ2 LYS 102 1HZ LYS 102 13.253 -7.041 -7.608 800 HZ3 LYS 102 2HZ LYS 102 14.112 -8.229 -8.454 801 H LEU 103 HN LEU 103 8.601 -2.877 -8.929 802 HA LEU 103 HA LEU 103 6.022 -2.716 -7.579 803 HG LEU 103 HG LEU 103 5.122 -0.264 -9.539 804 HB2 LEU 103 2HB LEU 103 7.375 -0.702 -7.570 805 HB3 LEU 103 1HB LEU 103 7.506 -0.742 -9.317 806 HD11 LEU 103 1HD1 LEU 103 4.315 -1.399 -7.549 807 HD12 LEU 103 2HD1 LEU 103 3.768 0.277 -7.574 808 HD13 LEU 103 3HD1 LEU 103 5.104 -0.200 -6.526 809 HD21 LEU 103 3HD2 LEU 103 6.697 1.607 -9.382 810 HD22 LEU 103 1HD2 LEU 103 6.491 1.631 -7.630 811 HD23 LEU 103 2HD2 LEU 103 5.130 2.019 -8.682 812 H ARG 104 HN ARG 104 4.427 -3.759 -8.514 813 HA ARG 104 HA ARG 104 4.486 -4.343 -11.340 814 HE ARG 104 HE ARG 104 5.388 -8.191 -8.715 815 HB2 ARG 104 2HB ARG 104 2.272 -4.897 -9.365 816 HB3 ARG 104 1HB ARG 104 2.516 -5.663 -10.926 817 HG2 ARG 104 2HG ARG 104 4.274 -5.936 -8.499 818 HG3 ARG 104 1HG ARG 104 3.171 -7.152 -9.140 819 HD2 ARG 104 2HD ARG 104 4.512 -7.250 -11.208 820 HD3 ARG 104 1HD ARG 104 5.627 -6.064 -10.522 821 HH11 ARG 104 1HH1 ARG 104 6.787 -7.513 -11.868 822 HH12 ARG 104 2HH1 ARG 104 7.921 -8.829 -11.776 823 HH21 ARG 104 1HH2 ARG 104 6.915 -9.853 -8.574 824 HH22 ARG 104 2HH2 ARG 104 8.013 -10.147 -9.885 825 H GLY 105 HN GLY 105 2.847 -2.179 -9.164 826 HA2 GLY 105 2HA GLY 105 2.384 -0.044 -10.577 827 HA3 GLY 105 1HA GLY 105 1.224 -1.111 -11.356 828 H ALA 106 HN ALA 106 -0.102 0.812 -10.511 829 HA ALA 106 HA ALA 106 -0.930 0.381 -7.728 830 HB1 ALA 106 1HB ALA 106 -1.692 2.558 -9.677 831 HB2 ALA 106 2HB ALA 106 -0.500 2.690 -8.384 832 HB3 ALA 106 3HB ALA 106 -2.203 2.461 -7.993 833 H LEU 107 HN LEU 107 -3.451 0.661 -7.458 834 HA LEU 107 HA LEU 107 -4.720 -1.063 -9.489 835 HG LEU 107 HG LEU 107 -5.971 -3.500 -7.038 836 HB2 LEU 107 2HB LEU 107 -4.168 -1.889 -7.003 837 HB3 LEU 107 1HB LEU 107 -5.700 -1.102 -6.681 838 HD11 LEU 107 1HD1 LEU 107 -7.156 -1.826 -9.245 839 HD12 LEU 107 2HD1 LEU 107 -7.831 -2.081 -7.635 840 HD13 LEU 107 3HD1 LEU 107 -7.713 -3.430 -8.768 841 HD21 LEU 107 3HD2 LEU 107 -5.570 -4.499 -9.222 842 HD22 LEU 107 1HD2 LEU 107 -4.079 -3.862 -8.530 843 HD23 LEU 107 2HD2 LEU 107 -4.910 -2.973 -9.808 844 H SER 108 HN SER 108 -5.685 0.581 -10.620 845 HA SER 108 HA SER 108 -7.401 2.440 -9.130 846 HG SER 108 HG SER 108 -5.003 2.873 -10.120 847 HB2 SER 108 2HB SER 108 -6.584 2.524 -12.047 848 HB3 SER 108 1HB SER 108 -7.422 3.792 -11.150 849 H GLY 109 HN GLY 109 -9.291 1.434 -8.741 850 HA2 GLY 109 2HA GLY 109 -10.544 -0.328 -10.619 851 HA3 GLY 109 1HA GLY 109 -11.236 0.264 -9.117 852 H ILE 110 HN ILE 110 -11.092 0.636 -12.518 853 HA ILE 110 HA ILE 110 -12.397 3.183 -12.635 854 HB ILE 110 HB ILE 110 -12.790 2.623 -15.032 855 HG12 ILE 110 2HG1 ILE 110 -11.301 0.085 -14.314 856 HG13 ILE 110 1HG1 ILE 110 -12.989 0.185 -14.801 857 HG21 ILE 110 1HG2 ILE 110 -9.976 2.275 -14.008 858 HG22 ILE 110 2HG2 ILE 110 -10.791 3.802 -14.340 859 HG23 ILE 110 3HG2 ILE 110 -10.415 2.699 -15.663 860 HD11 ILE 110 3HD1 ILE 110 -10.605 0.865 -16.504 861 HD12 ILE 110 1HD1 ILE 110 -12.292 1.010 -16.998 862 HD13 ILE 110 2HD1 ILE 110 -11.614 -0.575 -16.633 863 H HIS 111 HN HIS 111 -13.402 0.096 -11.882 864 HA HIS 111 HA HIS 111 -16.168 0.997 -11.749 865 HD1 HIS 111 1HD HIS 111 -15.089 -1.087 -15.505 866 HD2 HIS 111 2HD HIS 111 -18.143 1.107 -13.709 867 HE1 HIS 111 1HE HIS 111 -16.165 0.236 -17.355 868 HE2 HIS 111 2HE HIS 111 -18.130 1.402 -16.280 869 HB2 HIS 111 2HB HIS 111 -15.288 -1.573 -13.086 870 HB3 HIS 111 1HB HIS 111 -16.912 -1.345 -12.451 871 HA PRO 112 HA PRO 112 -15.779 -0.446 -7.613 872 HB2 PRO 112 2HB PRO 112 -18.332 -1.558 -7.322 873 HB3 PRO 112 1HB PRO 112 -17.886 0.122 -7.012 874 HG2 PRO 112 2HG PRO 112 -19.157 -1.088 -9.419 875 HG3 PRO 112 1HG PRO 112 -19.434 0.499 -8.678 876 HD2 PRO 112 2HD PRO 112 -18.000 0.246 -10.924 877 HD3 PRO 112 1HD PRO 112 -17.557 1.431 -9.676 878 H TRP 113 HN TRP 113 -14.507 -2.099 -7.242 879 HA TRP 113 HA TRP 113 -13.628 -4.164 -7.093 880 HD1 TRP 113 1HD TRP 113 -15.852 -7.626 -8.157 881 HE1 TRP 113 1HE TRP 113 -14.603 -9.578 -7.026 882 HE3 TRP 113 3HE TRP 113 -13.755 -5.076 -4.257 883 HZ2 TRP 113 2HZ TRP 113 -12.936 -9.965 -4.773 884 HZ3 TRP 113 3HZ TRP 113 -12.350 -6.306 -2.658 885 HH2 TRP 113 2HH TRP 113 -11.949 -8.702 -2.911 886 HB2 TRP 113 2HB TRP 113 -15.763 -4.607 -5.880 887 HB3 TRP 113 1HB TRP 113 -16.466 -5.179 -7.385 888 H ALA 114 HN ALA 114 -16.118 -5.569 -9.060 889 HA ALA 114 HA ALA 114 -15.898 -6.743 -11.048 890 HB1 ALA 114 1HB ALA 114 -15.713 -3.880 -11.930 891 HB2 ALA 114 2HB ALA 114 -17.176 -4.657 -11.324 892 HB3 ALA 114 3HB ALA 114 -16.424 -5.231 -12.813 893 H GLU 115 HN GLU 115 -13.801 -4.015 -11.842 894 HA GLU 115 HA GLU 115 -12.422 -5.402 -13.855 895 HB2 GLU 115 2HB GLU 115 -11.258 -3.029 -12.438 896 HB3 GLU 115 1HB GLU 115 -11.170 -3.444 -14.142 897 HG2 GLU 115 2HG GLU 115 -13.632 -2.486 -12.696 898 HG3 GLU 115 1HG GLU 115 -12.594 -1.509 -13.727 899 H LEU 116 HN LEU 116 -11.909 -5.206 -10.457 900 HA LEU 116 HA LEU 116 -9.158 -5.520 -10.221 901 HG LEU 116 HG LEU 116 -8.926 -4.695 -7.918 902 HB2 LEU 116 2HB LEU 116 -11.250 -5.341 -8.496 903 HB3 LEU 116 1HB LEU 116 -10.811 -7.026 -8.297 904 HD11 LEU 116 1HD1 LEU 116 -10.356 -6.420 -5.909 905 HD12 LEU 116 2HD1 LEU 116 -10.612 -4.698 -6.196 906 HD13 LEU 116 3HD1 LEU 116 -9.080 -5.265 -5.530 907 HD21 LEU 116 3HD2 LEU 116 -7.793 -6.749 -8.627 908 HD22 LEU 116 1HD2 LEU 116 -8.570 -7.629 -7.310 909 HD23 LEU 116 2HD2 LEU 116 -7.416 -6.345 -6.951 910 H LEU 117 HN LEU 117 -11.665 -7.941 -10.787 911 HA LEU 117 HA LEU 117 -10.232 -10.271 -10.330 912 HG LEU 117 HG LEU 117 -13.792 -11.183 -10.919 913 HB2 LEU 117 2HB LEU 117 -12.438 -9.636 -12.271 914 HB3 LEU 117 1HB LEU 117 -11.746 -11.241 -12.175 915 HD11 LEU 117 1HD1 LEU 117 -12.044 -12.579 -10.012 916 HD12 LEU 117 2HD1 LEU 117 -13.007 -11.880 -8.711 917 HD13 LEU 117 3HD1 LEU 117 -11.413 -11.221 -9.079 918 HD21 LEU 117 3HD2 LEU 117 -13.890 -8.784 -10.475 919 HD22 LEU 117 1HD2 LEU 117 -12.587 -8.951 -9.298 920 HD23 LEU 117 2HD2 LEU 117 -14.142 -9.732 -9.009 921 H THR 118 HN THR 118 -10.445 -8.359 -13.305 922 HA THR 118 HA THR 118 -8.709 -10.093 -14.782 923 HB THR 118 HB THR 118 -9.449 -7.235 -15.438 924 HG1 THR 118 1HG THR 118 -10.868 -9.298 -16.636 925 HG21 THR 118 3HG2 THR 118 -9.119 -7.950 -17.750 926 HG22 THR 118 1HG2 THR 118 -8.700 -9.573 -17.200 927 HG23 THR 118 2HG2 THR 118 -7.654 -8.209 -16.805 928 H LEU 119 HN LEU 119 -8.375 -6.993 -13.111 929 HA LEU 119 HA LEU 119 -5.776 -6.371 -13.967 930 HG LEU 119 HG LEU 119 -6.746 -3.196 -12.509 931 HB2 LEU 119 2HB LEU 119 -7.677 -5.379 -12.014 932 HB3 LEU 119 1HB LEU 119 -6.030 -5.264 -11.427 933 HD11 LEU 119 1HD1 LEU 119 -4.854 -2.936 -14.038 934 HD12 LEU 119 2HD1 LEU 119 -4.641 -4.687 -14.071 935 HD13 LEU 119 3HD1 LEU 119 -4.389 -3.796 -12.571 936 HD21 LEU 119 3HD2 LEU 119 -7.166 -3.112 -14.908 937 HD22 LEU 119 1HD2 LEU 119 -8.343 -4.148 -14.100 938 HD23 LEU 119 2HD2 LEU 119 -7.011 -4.865 -15.007 939 H MET 120 HN MET 120 -6.882 -8.020 -11.010 940 HA MET 120 HA MET 120 -4.369 -8.111 -9.773 941 HB2 MET 120 2HB MET 120 -5.314 -9.696 -8.233 942 HB3 MET 120 1HB MET 120 -6.528 -8.479 -8.601 943 HG2 MET 120 2HG MET 120 -7.603 -10.032 -10.158 944 HG3 MET 120 1HG MET 120 -6.387 -11.250 -9.766 945 HE1 MET 120 3HE MET 120 -8.144 -13.058 -9.099 946 HE2 MET 120 1HE MET 120 -9.432 -11.948 -9.563 947 HE3 MET 120 2HE MET 120 -9.494 -12.764 -8.002 948 H ARG 121 HN ARG 121 -5.907 -10.343 -12.028 949 HA ARG 121 HA ARG 121 -4.044 -12.442 -11.713 950 HE ARG 121 HE ARG 121 -8.198 -15.024 -11.615 951 HB2 ARG 121 2HB ARG 121 -6.118 -11.720 -13.746 952 HB3 ARG 121 1HB ARG 121 -5.015 -13.048 -14.036 953 HG2 ARG 121 2HG ARG 121 -5.761 -14.117 -11.958 954 HG3 ARG 121 1HG ARG 121 -6.899 -12.789 -11.709 955 HD2 ARG 121 2HD ARG 121 -8.114 -13.366 -13.676 956 HD3 ARG 121 1HD ARG 121 -6.884 -14.532 -14.161 957 HH11 ARG 121 1HH1 ARG 121 -8.081 -15.710 -15.049 958 HH12 ARG 121 2HH1 ARG 121 -8.889 -17.239 -14.890 959 HH21 ARG 121 1HH2 ARG 121 -9.275 -17.014 -11.410 960 HH22 ARG 121 2HH2 ARG 121 -9.569 -17.983 -12.825 961 H SER 122 HN SER 122 -4.269 -9.677 -13.879 962 HA SER 122 HA SER 122 -2.102 -10.381 -15.552 963 HG SER 122 HG SER 122 -1.131 -7.855 -16.230 964 HB2 SER 122 2HB SER 122 -3.858 -8.634 -16.054 965 HB3 SER 122 1HB SER 122 -3.041 -7.578 -14.905 966 H ILE 123 HN ILE 123 -2.333 -8.883 -12.428 967 HA ILE 123 HA ILE 123 0.345 -7.884 -12.340 968 HB ILE 123 HB ILE 123 -1.649 -8.408 -10.132 969 HG12 ILE 123 2HG1 ILE 123 -0.779 -5.840 -11.479 970 HG13 ILE 123 1HG1 ILE 123 -2.303 -6.672 -11.760 971 HG21 ILE 123 1HG2 ILE 123 -0.212 -7.039 -8.710 972 HG22 ILE 123 2HG2 ILE 123 0.975 -6.928 -10.011 973 HG23 ILE 123 3HG2 ILE 123 0.627 -8.488 -9.265 974 HD11 ILE 123 3HD1 ILE 123 -1.421 -5.478 -9.144 975 HD12 ILE 123 1HD1 ILE 123 -2.963 -6.280 -9.458 976 HD13 ILE 123 2HD1 ILE 123 -2.571 -4.765 -10.276 977 H VAL 124 HN VAL 124 -1.286 -10.760 -11.003 978 HA VAL 124 HA VAL 124 1.226 -11.751 -9.932 979 HB VAL 124 HB VAL 124 -0.083 -13.636 -9.062 980 HG11 VAL 124 1HG1 VAL 124 -1.475 -12.366 -7.494 981 HG12 VAL 124 2HG1 VAL 124 -1.330 -10.942 -8.525 982 HG13 VAL 124 3HG1 VAL 124 0.100 -11.607 -7.735 983 HG21 VAL 124 3HG2 VAL 124 -1.714 -13.852 -10.856 984 HG22 VAL 124 1HG2 VAL 124 -2.431 -12.303 -10.410 985 HG23 VAL 124 2HG2 VAL 124 -2.521 -13.670 -9.298 986 H ASP 125 HN ASP 125 0.752 -11.507 -12.864 987 HA ASP 125 HA ASP 125 0.511 -14.047 -14.053 988 HB2 ASP 125 2HB ASP 125 0.299 -11.970 -15.330 989 HB3 ASP 125 1HB ASP 125 1.989 -11.588 -15.022 990 H THR 126 HN THR 126 3.144 -12.432 -12.483 991 HA THR 126 HA THR 126 5.359 -13.808 -13.431 992 HB THR 126 HB THR 126 4.883 -12.894 -10.586 993 HG1 THR 126 1HG THR 126 5.862 -11.508 -12.890 994 HG21 THR 126 3HG2 THR 126 6.857 -14.312 -10.815 995 HG22 THR 126 1HG2 THR 126 7.330 -12.637 -10.522 996 HG23 THR 126 2HG2 THR 126 7.436 -13.313 -12.147 997 HA PRO 127 HA PRO 127 4.272 -17.971 -12.183 998 HB2 PRO 127 2HB PRO 127 7.074 -18.531 -12.939 999 HB3 PRO 127 1HB PRO 127 5.581 -19.234 -13.565 1000 HG2 PRO 127 2HG PRO 127 7.022 -17.521 -15.024 1001 HG3 PRO 127 1HG PRO 127 5.249 -17.513 -15.075 1002 HD2 PRO 127 2HD PRO 127 7.112 -15.676 -13.612 1003 HD3 PRO 127 1HD PRO 127 5.632 -15.290 -14.517 1004 H ALA 128 HN ALA 128 7.061 -16.172 -11.118 1005 HA ALA 128 HA ALA 128 8.212 -16.066 -9.171 1006 HB1 ALA 128 1HB ALA 128 7.295 -17.052 -7.129 1007 HB2 ALA 128 2HB ALA 128 6.097 -17.921 -8.085 1008 HB3 ALA 128 3HB ALA 128 6.068 -16.159 -8.027 1009 H ALA 129 HN ALA 129 7.072 -19.445 -9.245 1010 HA ALA 129 HA ALA 129 9.680 -20.475 -8.656 1011 HB1 ALA 129 1HB ALA 129 7.237 -21.942 -9.662 1012 HB2 ALA 129 2HB ALA 129 7.610 -21.639 -7.964 1013 HB3 ALA 129 3HB ALA 129 8.671 -22.667 -8.931 1014 H GLN 130 HN GLN 130 11.255 -20.886 -10.045 1015 HA GLN 130 HA GLN 130 12.464 -20.927 -11.951 1016 HB2 GLN 130 2HB GLN 130 11.103 -22.890 -12.576 1017 HB3 GLN 130 1HB GLN 130 9.903 -21.826 -13.296 1018 HG2 GLN 130 2HG GLN 130 11.587 -21.025 -14.891 1019 HG3 GLN 130 1HG GLN 130 12.760 -22.134 -14.190 1020 HE21 GLN 130 1HE2 GLN 130 13.063 -23.186 -16.124 1021 HE22 GLN 130 2HE2 GLN 130 11.868 -24.244 -16.814 1022 H GLU 131 HN GLU 131 12.692 -18.703 -11.749 1023 HA GLU 131 HA GLU 131 10.906 -16.945 -13.215 1024 HB2 GLU 131 2HB GLU 131 12.121 -16.527 -10.926 1025 HB3 GLU 131 1HB GLU 131 13.491 -16.099 -11.935 1026 HG2 GLU 131 2HG GLU 131 10.788 -14.806 -12.161 1027 HG3 GLU 131 1HG GLU 131 12.089 -14.187 -11.148 1028 H THR 132 HN THR 132 11.149 -17.072 -15.366 1029 HA THR 132 HA THR 132 13.503 -17.950 -16.647 1030 HB THR 132 HB THR 132 11.174 -16.470 -17.884 1031 HG1 THR 132 1HG THR 132 11.564 -19.169 -17.109 1032 HG21 THR 132 3HG2 THR 132 13.137 -16.660 -19.350 1033 HG22 THR 132 1HG2 THR 132 11.811 -17.675 -19.922 1034 HG23 THR 132 2HG2 THR 132 13.175 -18.402 -19.071 1035 H VAL 133 HN VAL 133 11.928 -14.742 -16.831 1036 HA VAL 133 HA VAL 133 14.311 -13.303 -16.429 1037 HB VAL 133 HB VAL 133 14.949 -14.131 -18.630 1038 HG11 VAL 133 1HG1 VAL 133 13.711 -13.488 -20.649 1039 HG12 VAL 133 2HG1 VAL 133 12.434 -12.811 -19.639 1040 HG13 VAL 133 3HG1 VAL 133 12.766 -14.544 -19.597 1041 HG21 VAL 133 3HG2 VAL 133 15.420 -11.989 -19.717 1042 HG22 VAL 133 1HG2 VAL 133 15.688 -11.909 -17.977 1043 HG23 VAL 133 2HG2 VAL 133 14.232 -11.204 -18.676 1044 H GLN 134 HN GLN 134 13.763 -11.365 -15.741 1045 HA GLN 134 HA GLN 134 11.369 -10.066 -16.834 1046 HB2 GLN 134 2HB GLN 134 12.145 -10.352 -13.934 1047 HB3 GLN 134 1HB GLN 134 11.091 -9.057 -14.488 1048 HG2 GLN 134 2HG GLN 134 9.487 -10.692 -15.299 1049 HG3 GLN 134 1HG GLN 134 10.555 -12.002 -14.787 1050 HE21 GLN 134 1HE2 GLN 134 10.798 -12.442 -12.620 1051 HE22 GLN 134 2HE2 GLN 134 9.732 -11.807 -11.409 1052 H LEU 135 HN LEU 135 11.732 -8.044 -17.504 1053 HA LEU 135 HA LEU 135 14.327 -6.845 -16.965 1054 HG LEU 135 HG LEU 135 12.884 -7.860 -19.666 1055 HB2 LEU 135 2HB LEU 135 12.030 -5.816 -18.639 1056 HB3 LEU 135 1HB LEU 135 13.649 -5.145 -18.589 1057 HD11 LEU 135 1HD1 LEU 135 12.194 -6.048 -21.120 1058 HD12 LEU 135 2HD1 LEU 135 13.567 -6.905 -21.820 1059 HD13 LEU 135 3HD1 LEU 135 13.808 -5.342 -21.040 1060 HD21 LEU 135 3HD2 LEU 135 15.573 -6.495 -19.579 1061 HD22 LEU 135 1HD2 LEU 135 15.210 -8.021 -20.386 1062 HD23 LEU 135 2HD2 LEU 135 15.094 -7.903 -18.629 1063 H GLU 136 HN GLU 136 10.902 -6.158 -16.553 1064 HA GLU 136 HA GLU 136 9.755 -4.596 -15.361 1065 HB2 GLU 136 2HB GLU 136 10.582 -6.455 -13.734 1066 HB3 GLU 136 1HB GLU 136 11.615 -5.191 -13.085 1067 HG2 GLU 136 2HG GLU 136 9.611 -5.307 -11.772 1068 HG3 GLU 136 1HG GLU 136 9.606 -3.801 -12.689 1069 H HIS 137 HN HIS 137 10.488 -2.815 -16.584 1070 HA HIS 137 HA HIS 137 12.853 -1.395 -16.051 1071 HD1 HIS 137 1HD HIS 137 10.457 1.946 -18.212 1072 HD2 HIS 137 2HD HIS 137 14.195 0.375 -17.271 1073 HE1 HIS 137 1HE HIS 137 12.097 3.822 -18.566 1074 HE2 HIS 137 2HE HIS 137 14.331 2.888 -17.861 1075 HB2 HIS 137 2HB HIS 137 11.573 -1.250 -18.171 1076 HB3 HIS 137 1HB HIS 137 10.308 -0.373 -17.322 1077 H HIS 138 HN HIS 138 13.269 -0.576 -14.098 1078 HA HIS 138 HA HIS 138 11.357 0.515 -12.336 1079 HD1 HIS 138 1HD HIS 138 15.427 -0.954 -12.909 1080 HD2 HIS 138 2HD HIS 138 15.070 3.187 -12.698 1081 HE1 HIS 138 1HE HIS 138 17.528 -0.035 -13.947 1082 HE2 HIS 138 2HE HIS 138 17.381 2.457 -13.612 1083 HB2 HIS 138 2HB HIS 138 13.317 1.543 -11.168 1084 HB3 HIS 138 1HB HIS 138 13.489 -0.182 -11.452 1085 H HIS 139 HN HIS 139 10.381 2.450 -12.265 1086 HA HIS 139 HA HIS 139 10.786 4.209 -14.504 1087 HD1 HIS 139 1HD HIS 139 6.971 4.790 -14.999 1088 HD2 HIS 139 2HD HIS 139 9.841 7.383 -13.471 1089 HE1 HIS 139 1HE HIS 139 6.495 7.028 -16.045 1090 HE2 HIS 139 2HE HIS 139 8.375 8.517 -15.271 1091 HB2 HIS 139 2HB HIS 139 8.536 3.630 -13.488 1092 HB3 HIS 139 1HB HIS 139 8.961 4.688 -12.148 1093 H HIS 140 HN HIS 140 11.012 4.600 -10.962 1094 HA HIS 140 HA HIS 140 11.790 7.331 -11.219 1095 HD1 HIS 140 1HD HIS 140 13.192 7.335 -7.111 1096 HD2 HIS 140 2HD HIS 140 12.416 3.597 -8.776 1097 HE1 HIS 140 1HE HIS 140 14.509 5.688 -5.736 1098 HE2 HIS 140 2HE HIS 140 14.176 3.468 -6.881 1099 HB2 HIS 140 2HB HIS 140 11.571 7.483 -8.949 1100 HB3 HIS 140 1HB HIS 140 10.634 6.020 -9.208 1101 H HIS 141 HN HIS 141 13.753 8.272 -10.498 1102 HA HIS 141 HA HIS 141 16.071 6.735 -11.383 1103 HD1 HIS 141 1HD HIS 141 17.801 8.433 -13.574 1104 HD2 HIS 141 2HD HIS 141 18.379 9.885 -9.716 1105 HE1 HIS 141 1HE HIS 141 20.250 9.011 -13.421 1106 HE2 HIS 141 2HE HIS 141 20.521 10.083 -11.151 1107 HB2 HIS 141 2HB HIS 141 15.634 8.973 -12.335 1108 HB3 HIS 141 1HB HIS 141 15.753 9.676 -10.729 1109 H HIS 142 HN HIS 142 17.704 6.116 -10.062 1110 HA HIS 142 HA HIS 142 17.449 6.814 -7.217 1111 HD1 HIS 142 1HD HIS 142 20.650 3.654 -6.856 1112 HD2 HIS 142 2HD HIS 142 17.423 5.385 -4.883 1113 HE1 HIS 142 1HE HIS 142 21.177 3.477 -4.408 1114 HE2 HIS 142 2HE HIS 142 19.327 4.746 -3.261 1115 HB2 HIS 142 2HB HIS 142 17.295 4.388 -7.758 1116 HB3 HIS 142 1HB HIS 142 18.916 4.461 -8.440 Start of MODEL 18 1 HA MET 1 HA MET 1 -9.654 23.053 3.361 2 H1 MET 1 1HT MET 1 -10.896 23.324 6.031 3 H2 MET 1 2HT MET 1 -10.484 21.888 5.227 4 H3 MET 1 3HT MET 1 -11.730 22.869 4.629 5 HB2 MET 1 2HB MET 1 -10.768 25.450 4.797 6 HB3 MET 1 1HB MET 1 -9.487 25.615 3.606 7 HG2 MET 1 2HG MET 1 -12.168 24.359 3.083 8 HG3 MET 1 1HG MET 1 -11.736 26.024 2.696 9 HE1 MET 1 3HE MET 1 -10.013 26.725 0.844 10 HE2 MET 1 1HE MET 1 -9.003 25.584 -0.044 11 HE3 MET 1 2HE MET 1 -8.765 25.809 1.689 12 H ALA 2 HN ALA 2 -7.645 22.448 3.722 13 HA ALA 2 HA ALA 2 -5.475 22.540 4.340 14 HB1 ALA 2 1HB ALA 2 -5.735 24.972 3.994 15 HB2 ALA 2 2HB ALA 2 -4.537 24.563 5.224 16 HB3 ALA 2 3HB ALA 2 -6.133 25.142 5.704 17 H ASN 3 HN ASN 3 -5.048 20.926 5.655 18 HA ASN 3 HA ASN 3 -4.404 19.859 7.547 19 HB2 ASN 3 2HB ASN 3 -3.427 22.132 8.083 20 HB3 ASN 3 1HB ASN 3 -4.875 22.449 9.028 21 HD21 ASN 3 1HD2 ASN 3 -3.294 19.320 8.810 22 HD22 ASN 3 2HD2 ASN 3 -2.755 19.275 10.456 23 H ASP 4 HN ASP 4 -7.320 20.361 6.759 24 HA ASP 4 HA ASP 4 -8.652 19.854 9.292 25 HB2 ASP 4 2HB ASP 4 -10.726 19.795 8.023 26 HB3 ASP 4 1HB ASP 4 -9.805 21.227 7.585 27 H THR 5 HN THR 5 -10.022 17.938 9.532 28 HA THR 5 HA THR 5 -10.371 15.698 9.579 29 HB THR 5 HB THR 5 -8.841 15.511 6.977 30 HG1 THR 5 1HG THR 5 -10.476 16.950 6.572 31 HG21 THR 5 3HG2 THR 5 -10.986 13.768 8.204 32 HG22 THR 5 1HG2 THR 5 -9.276 13.364 8.065 33 HG23 THR 5 2HG2 THR 5 -10.263 13.534 6.613 34 HA PRO 6 HA PRO 6 -6.174 15.138 11.243 35 HB2 PRO 6 2HB PRO 6 -6.829 14.888 13.804 36 HB3 PRO 6 1HB PRO 6 -6.913 16.464 13.009 37 HG2 PRO 6 2HG PRO 6 -9.112 14.574 13.708 38 HG3 PRO 6 1HG PRO 6 -9.089 16.345 13.779 39 HD2 PRO 6 2HD PRO 6 -10.169 14.790 11.713 40 HD3 PRO 6 1HD PRO 6 -9.797 16.523 11.626 41 H PHE 7 HN PHE 7 -5.772 13.431 13.350 42 HA PHE 7 HA PHE 7 -6.192 10.870 12.066 43 HD1 PHE 7 1HD PHE 7 -3.604 10.096 11.431 44 HD2 PHE 7 2HD PHE 7 -3.355 13.285 14.241 45 HE1 PHE 7 1HE PHE 7 -1.684 11.030 10.205 46 HE2 PHE 7 2HE PHE 7 -1.437 14.219 13.019 47 HZ PHE 7 HZ PHE 7 -0.595 13.090 10.996 48 HB2 PHE 7 2HB PHE 7 -4.768 11.469 14.669 49 HB3 PHE 7 1HB PHE 7 -4.660 9.986 13.725 50 H SER 8 HN SER 8 -6.187 11.205 15.551 51 HA SER 8 HA SER 8 -7.654 10.583 17.167 52 HG SER 8 HG SER 8 -7.974 12.812 16.827 53 HB2 SER 8 2HB SER 8 -9.678 11.488 15.103 54 HB3 SER 8 1HB SER 8 -10.016 11.224 16.813 55 H ALA 9 HN ALA 9 -10.213 9.421 17.034 56 HA ALA 9 HA ALA 9 -9.621 6.709 16.485 57 HB1 ALA 9 1HB ALA 9 -12.311 8.015 16.890 58 HB2 ALA 9 2HB ALA 9 -11.268 7.384 18.163 59 HB3 ALA 9 3HB ALA 9 -11.973 6.286 16.976 60 H LEU 10 HN LEU 10 -10.977 9.288 14.623 61 HA LEU 10 HA LEU 10 -12.376 8.013 12.619 62 HG LEU 10 HG LEU 10 -10.913 9.666 10.223 63 HB2 LEU 10 2HB LEU 10 -12.351 10.397 12.777 64 HB3 LEU 10 1HB LEU 10 -10.614 10.456 12.558 65 HD11 LEU 10 1HD1 LEU 10 -13.018 8.486 10.478 66 HD12 LEU 10 2HD1 LEU 10 -13.151 9.728 9.232 67 HD13 LEU 10 3HD1 LEU 10 -13.846 10.003 10.829 68 HD21 LEU 10 3HD2 LEU 10 -11.836 11.781 9.369 69 HD22 LEU 10 1HD2 LEU 10 -10.688 12.032 10.685 70 HD23 LEU 10 2HD2 LEU 10 -12.420 12.162 10.989 71 H TRP 11 HN TRP 11 -8.910 8.796 12.652 72 HA TRP 11 HA TRP 11 -8.424 7.286 10.245 73 HD1 TRP 11 1HD TRP 11 -4.453 7.748 12.564 74 HE1 TRP 11 1HE TRP 11 -2.632 6.719 11.081 75 HE3 TRP 11 3HE TRP 11 -6.925 7.802 8.088 76 HZ2 TRP 11 2HZ TRP 11 -2.279 6.007 8.371 77 HZ3 TRP 11 3HZ TRP 11 -5.769 6.925 6.097 78 HH2 TRP 11 2HH TRP 11 -3.496 6.050 6.240 79 HB2 TRP 11 2HB TRP 11 -7.115 9.231 10.507 80 HB3 TRP 11 1HB TRP 11 -6.711 8.844 12.171 81 H GLN 12 HN GLN 12 -7.612 7.004 13.663 82 HA GLN 12 HA GLN 12 -6.027 4.764 13.675 83 HB2 GLN 12 2HB GLN 12 -6.543 6.236 15.618 84 HB3 GLN 12 1HB GLN 12 -8.108 5.449 15.751 85 HG2 GLN 12 2HG GLN 12 -6.949 3.301 16.123 86 HG3 GLN 12 1HG GLN 12 -5.411 4.163 16.110 87 HE21 GLN 12 1HE2 GLN 12 -4.881 3.683 18.209 88 HE22 GLN 12 2HE2 GLN 12 -5.735 4.328 19.568 89 H ARG 13 HN ARG 13 -9.556 4.877 13.416 90 HA ARG 13 HA ARG 13 -9.993 2.182 14.104 91 HE ARG 13 HE ARG 13 -13.409 5.564 10.465 92 HB2 ARG 13 2HB ARG 13 -12.226 2.420 13.127 93 HB3 ARG 13 1HB ARG 13 -11.819 3.738 14.208 94 HG2 ARG 13 2HG ARG 13 -12.575 5.076 12.610 95 HG3 ARG 13 1HG ARG 13 -11.078 4.716 11.749 96 HD2 ARG 13 2HD ARG 13 -12.096 3.185 10.350 97 HD3 ARG 13 1HD ARG 13 -13.421 2.883 11.473 98 HH11 ARG 13 1HH1 ARG 13 -14.313 2.271 9.694 99 HH12 ARG 13 2HH1 ARG 13 -15.676 2.739 8.711 100 HH21 ARG 13 1HH2 ARG 13 -15.206 6.187 9.164 101 HH22 ARG 13 2HH2 ARG 13 -16.160 4.953 8.391 102 H LEU 14 HN LEU 14 -8.976 3.612 11.099 103 HA LEU 14 HA LEU 14 -9.508 1.260 9.535 104 HG LEU 14 HG LEU 14 -9.285 3.950 7.039 105 HB2 LEU 14 2HB LEU 14 -7.771 3.673 9.045 106 HB3 LEU 14 1HB LEU 14 -7.843 2.332 7.924 107 HD11 LEU 14 1HD1 LEU 14 -10.249 1.719 7.018 108 HD12 LEU 14 2HD1 LEU 14 -11.505 2.948 7.164 109 HD13 LEU 14 3HD1 LEU 14 -11.011 2.021 8.580 110 HD21 LEU 14 3HD2 LEU 14 -11.040 5.075 8.312 111 HD22 LEU 14 1HD2 LEU 14 -9.442 5.407 8.978 112 HD23 LEU 14 2HD2 LEU 14 -10.508 4.250 9.777 113 H LEU 15 HN LEU 15 -6.941 2.392 11.573 114 HA LEU 15 HA LEU 15 -4.896 0.698 10.507 115 HG LEU 15 HG LEU 15 -5.127 3.773 11.339 116 HB2 LEU 15 2HB LEU 15 -5.003 2.141 13.152 117 HB3 LEU 15 1HB LEU 15 -3.575 1.427 12.431 118 HD11 LEU 15 1HD1 LEU 15 -2.397 3.596 12.606 119 HD12 LEU 15 2HD1 LEU 15 -3.834 4.325 13.323 120 HD13 LEU 15 3HD1 LEU 15 -3.105 5.041 11.884 121 HD21 LEU 15 3HD2 LEU 15 -2.585 2.500 10.327 122 HD22 LEU 15 1HD2 LEU 15 -3.376 3.932 9.665 123 HD23 LEU 15 2HD2 LEU 15 -4.171 2.361 9.567 124 H THR 16 HN THR 16 -7.375 0.315 12.872 125 HA THR 16 HA THR 16 -6.190 -1.473 14.644 126 HB THR 16 HB THR 16 -8.400 -0.315 14.970 127 HG1 THR 16 1HG THR 16 -7.602 -2.149 16.261 128 HG21 THR 16 3HG2 THR 16 -9.413 -2.596 13.270 129 HG22 THR 16 1HG2 THR 16 -9.476 -0.882 12.861 130 HG23 THR 16 2HG2 THR 16 -10.422 -1.502 14.215 131 H ARG 17 HN ARG 17 -7.321 -2.043 11.414 132 HA ARG 17 HA ARG 17 -7.764 -4.850 11.678 133 HE ARG 17 HE ARG 17 -10.315 -5.294 9.928 134 HB2 ARG 17 2HB ARG 17 -8.815 -3.486 9.914 135 HB3 ARG 17 1HB ARG 17 -7.239 -3.213 9.190 136 HG2 ARG 17 2HG ARG 17 -7.159 -5.270 8.253 137 HG3 ARG 17 1HG ARG 17 -8.034 -6.031 9.584 138 HD2 ARG 17 2HD ARG 17 -9.277 -4.246 7.496 139 HD3 ARG 17 1HD ARG 17 -9.312 -6.011 7.464 140 HH11 ARG 17 1HH1 ARG 17 -11.193 -4.658 6.590 141 HH12 ARG 17 2HH1 ARG 17 -12.892 -4.529 6.936 142 HH21 ARG 17 1HH2 ARG 17 -12.540 -5.122 10.373 143 HH22 ARG 17 2HH2 ARG 17 -13.654 -4.797 9.080 144 H GLY 18 HN GLY 18 -4.939 -3.072 11.740 145 HA2 GLY 18 2HA GLY 18 -2.915 -4.287 12.272 146 HA3 GLY 18 1HA GLY 18 -3.407 -5.514 11.117 147 H TRP 19 HN TRP 19 -3.919 -2.302 10.121 148 HA TRP 19 HA TRP 19 -1.818 -2.552 8.136 149 HD1 TRP 19 1HD TRP 19 -3.463 -3.985 7.532 150 HE1 TRP 19 1HE TRP 19 -5.311 -4.814 5.949 151 HE3 TRP 19 3HE TRP 19 -5.538 0.512 6.285 152 HZ2 TRP 19 2HZ TRP 19 -7.376 -3.708 4.378 153 HZ3 TRP 19 3HZ TRP 19 -7.441 0.542 4.732 154 HH2 TRP 19 2HH TRP 19 -8.335 -1.524 3.795 155 HB2 TRP 19 2HB TRP 19 -4.015 -0.505 8.499 156 HB3 TRP 19 1HB TRP 19 -2.846 -0.482 7.183 157 H GLN 20 HN GLN 20 -0.019 -1.340 8.035 158 HA GLN 20 HA GLN 20 0.606 0.276 10.384 159 HB2 GLN 20 2HB GLN 20 2.215 -1.261 8.385 160 HB3 GLN 20 1HB GLN 20 2.965 0.066 9.243 161 HG2 GLN 20 2HG GLN 20 3.412 -2.092 10.298 162 HG3 GLN 20 1HG GLN 20 2.529 -1.005 11.366 163 HE21 GLN 20 1HE2 GLN 20 2.354 -3.876 9.408 164 HE22 GLN 20 2HE2 GLN 20 0.872 -4.479 10.072 165 HA PRO 21 HA PRO 21 0.465 3.875 7.690 166 HB2 PRO 21 2HB PRO 21 0.850 5.708 9.632 167 HB3 PRO 21 1HB PRO 21 -0.711 4.926 9.373 168 HG2 PRO 21 2HG PRO 21 1.380 4.344 11.425 169 HG3 PRO 21 1HG PRO 21 -0.384 4.369 11.596 170 HD2 PRO 21 2HD PRO 21 1.100 2.078 11.308 171 HD3 PRO 21 1HD PRO 21 -0.605 2.221 10.840 172 H VAL 22 HN VAL 22 2.217 4.168 6.482 173 HA VAL 22 HA VAL 22 4.855 4.209 7.763 174 HB VAL 22 HB VAL 22 5.758 3.835 5.480 175 HG11 VAL 22 1HG1 VAL 22 5.015 1.496 5.274 176 HG12 VAL 22 2HG1 VAL 22 3.704 1.828 6.408 177 HG13 VAL 22 3HG1 VAL 22 5.381 1.936 6.943 178 HG21 VAL 22 3HG2 VAL 22 2.852 3.583 4.706 179 HG22 VAL 22 1HG2 VAL 22 4.224 3.175 3.679 180 HG23 VAL 22 2HG2 VAL 22 3.965 4.845 4.179 181 H GLU 23 HN GLU 23 6.470 5.660 6.789 182 HA GLU 23 HA GLU 23 5.311 8.321 6.442 183 HB2 GLU 23 2HB GLU 23 8.190 7.549 6.920 184 HB3 GLU 23 1HB GLU 23 7.521 9.171 6.969 185 HG2 GLU 23 2HG GLU 23 6.176 8.552 8.913 186 HG3 GLU 23 1HG GLU 23 6.874 6.931 8.869 187 H ALA 24 HN ALA 24 7.083 9.716 5.080 188 HA ALA 24 HA ALA 24 6.956 8.662 2.402 189 HB1 ALA 24 1HB ALA 24 6.559 11.037 2.833 190 HB2 ALA 24 2HB ALA 24 7.926 10.809 1.743 191 HB3 ALA 24 3HB ALA 24 8.206 11.208 3.437 192 H SER 25 HN SER 25 9.236 8.746 4.956 193 HA SER 25 HA SER 25 11.505 8.196 3.219 194 HG SER 25 HG SER 25 11.534 8.736 7.223 195 HB2 SER 25 2HB SER 25 12.692 8.188 5.524 196 HB3 SER 25 1HB SER 25 12.075 9.723 4.909 197 H THR 26 HN THR 26 10.038 6.733 6.123 198 HA THR 26 HA THR 26 11.616 4.398 5.988 199 HB THR 26 HB THR 26 10.565 5.272 8.079 200 HG1 THR 26 1HG THR 26 11.322 3.083 7.947 201 HG21 THR 26 3HG2 THR 26 8.348 5.779 7.192 202 HG22 THR 26 1HG2 THR 26 8.240 4.690 8.576 203 HG23 THR 26 2HG2 THR 26 8.048 4.061 6.938 204 H VAL 27 HN VAL 27 8.856 5.282 4.182 205 HA VAL 27 HA VAL 27 7.586 2.779 3.922 206 HB VAL 27 HB VAL 27 6.495 4.861 3.225 207 HG11 VAL 27 1HG1 VAL 27 8.403 6.014 2.246 208 HG12 VAL 27 2HG1 VAL 27 7.067 5.930 1.099 209 HG13 VAL 27 3HG1 VAL 27 8.447 4.847 0.926 210 HG21 VAL 27 3HG2 VAL 27 6.810 2.832 1.016 211 HG22 VAL 27 1HG2 VAL 27 5.527 4.038 1.106 212 HG23 VAL 27 2HG2 VAL 27 5.644 2.781 2.338 213 H ASP 28 HN ASP 28 10.282 4.240 2.177 214 HA ASP 28 HA ASP 28 10.415 2.272 0.131 215 HB2 ASP 28 2HB ASP 28 11.429 4.591 0.051 216 HB3 ASP 28 1HB ASP 28 12.679 4.004 1.142 217 H ASP 29 HN ASP 29 12.064 2.743 3.201 218 HA ASP 29 HA ASP 29 13.743 0.471 3.068 219 HB2 ASP 29 2HB ASP 29 14.194 2.317 4.594 220 HB3 ASP 29 1HB ASP 29 12.691 2.010 5.452 221 H TRP 30 HN TRP 30 10.546 1.042 4.415 222 HA TRP 30 HA TRP 30 10.072 -1.408 5.640 223 HD1 TRP 30 1HD TRP 30 7.776 -1.206 7.676 224 HE1 TRP 30 1HE TRP 30 5.696 -2.721 7.732 225 HE3 TRP 30 3HE TRP 30 6.505 -1.015 2.725 226 HZ2 TRP 30 2HZ TRP 30 3.767 -3.709 5.907 227 HZ3 TRP 30 3HZ TRP 30 4.533 -2.274 1.961 228 HH2 TRP 30 2HH TRP 30 3.192 -3.593 3.519 229 HB2 TRP 30 2HB TRP 30 8.606 0.589 5.825 230 HB3 TRP 30 1HB TRP 30 8.073 0.332 4.169 231 H ILE 31 HN ILE 31 9.307 -0.397 2.313 232 HA ILE 31 HA ILE 31 8.267 -2.860 1.448 233 HB ILE 31 HB ILE 31 9.613 -0.687 -0.163 234 HG12 ILE 31 2HG1 ILE 31 6.677 -1.277 0.244 235 HG13 ILE 31 1HG1 ILE 31 7.574 -0.059 1.150 236 HG21 ILE 31 1HG2 ILE 31 8.451 -1.654 -2.105 237 HG22 ILE 31 2HG2 ILE 31 7.907 -2.995 -1.096 238 HG23 ILE 31 3HG2 ILE 31 9.627 -2.771 -1.412 239 HD11 ILE 31 3HD1 ILE 31 8.052 1.118 -0.937 240 HD12 ILE 31 1HD1 ILE 31 6.321 0.955 -0.645 241 HD13 ILE 31 2HD1 ILE 31 7.119 -0.088 -1.823 242 H LYS 32 HN LYS 32 11.534 -1.542 1.351 243 HA LYS 32 HA LYS 32 12.775 -3.635 -0.036 244 HB2 LYS 32 2HB LYS 32 13.852 -1.499 0.295 245 HB3 LYS 32 1HB LYS 32 13.823 -1.700 2.037 246 HG2 LYS 32 2HG LYS 32 15.296 -3.705 0.414 247 HG3 LYS 32 1HG LYS 32 16.003 -2.106 0.626 248 HD2 LYS 32 2HD LYS 32 15.698 -2.386 3.092 249 HD3 LYS 32 1HD LYS 32 15.213 -4.049 2.776 250 HE2 LYS 32 2HE LYS 32 17.375 -4.494 1.746 251 HE3 LYS 32 1HE LYS 32 17.863 -2.826 2.040 252 HZ1 LYS 32 3HZ LYS 32 17.255 -4.891 4.085 253 HZ2 LYS 32 1HZ LYS 32 17.549 -3.257 4.442 254 HZ3 LYS 32 2HZ LYS 32 18.768 -4.211 3.743 255 H ARG 33 HN ARG 33 11.813 -3.313 3.303 256 HA ARG 33 HA ARG 33 13.323 -5.592 4.221 257 HE ARG 33 HE ARG 33 11.799 -6.945 9.075 258 HB2 ARG 33 2HB ARG 33 12.670 -3.544 5.594 259 HB3 ARG 33 1HB ARG 33 11.047 -4.198 5.636 260 HG2 ARG 33 2HG ARG 33 13.404 -5.780 6.613 261 HG3 ARG 33 1HG ARG 33 12.550 -4.636 7.648 262 HD2 ARG 33 2HD ARG 33 10.502 -5.856 7.407 263 HD3 ARG 33 1HD ARG 33 11.216 -6.910 6.190 264 HH11 ARG 33 1HH1 ARG 33 12.021 -8.395 5.900 265 HH12 ARG 33 2HH1 ARG 33 12.594 -9.930 6.481 266 HH21 ARG 33 1HH2 ARG 33 12.564 -8.953 9.871 267 HH22 ARG 33 2HH2 ARG 33 12.911 -10.247 8.763 268 H VAL 34 HN VAL 34 9.936 -4.861 3.507 269 HA VAL 34 HA VAL 34 9.060 -7.471 4.344 270 HB VAL 34 HB VAL 34 6.829 -6.789 3.726 271 HG11 VAL 34 1HG1 VAL 34 7.659 -6.055 5.861 272 HG12 VAL 34 2HG1 VAL 34 6.627 -4.801 5.169 273 HG13 VAL 34 3HG1 VAL 34 8.383 -4.623 5.128 274 HG21 VAL 34 3HG2 VAL 34 6.366 -4.583 2.763 275 HG22 VAL 34 1HG2 VAL 34 7.305 -5.588 1.659 276 HG23 VAL 34 2HG2 VAL 34 8.097 -4.303 2.573 277 H GLY 35 HN GLY 35 9.571 -5.872 1.224 278 HA2 GLY 35 2HA GLY 35 10.000 -6.842 -0.822 279 HA3 GLY 35 1HA GLY 35 9.833 -8.423 -0.078 280 H ASP 36 HN ASP 36 7.290 -8.307 0.898 281 HA ASP 36 HA ASP 36 5.698 -8.148 -1.582 282 HB2 ASP 36 2HB ASP 36 6.190 -10.461 -1.022 283 HB3 ASP 36 1HB ASP 36 5.611 -10.232 0.614 284 H GLY 37 HN GLY 37 3.914 -6.921 -1.464 285 HA2 GLY 37 2HA GLY 37 2.042 -6.786 0.508 286 HA3 GLY 37 1HA GLY 37 3.264 -5.641 1.031 287 H VAL 38 HN VAL 38 0.926 -4.579 0.689 288 HA VAL 38 HA VAL 38 1.156 -3.111 -1.843 289 HB VAL 38 HB VAL 38 -1.333 -2.916 -1.920 290 HG11 VAL 38 1HG1 VAL 38 -1.732 -5.173 -2.820 291 HG12 VAL 38 2HG1 VAL 38 -0.215 -5.711 -2.099 292 HG13 VAL 38 3HG1 VAL 38 -0.201 -4.489 -3.370 293 HG21 VAL 38 3HG2 VAL 38 -2.684 -4.548 -0.668 294 HG22 VAL 38 1HG2 VAL 38 -1.838 -3.432 0.405 295 HG23 VAL 38 2HG2 VAL 38 -1.234 -5.074 0.191 296 H ILE 39 HN ILE 39 0.796 -0.939 -1.725 297 HA ILE 39 HA ILE 39 0.466 0.140 0.995 298 HB ILE 39 HB ILE 39 1.948 1.308 -1.370 299 HG12 ILE 39 2HG1 ILE 39 3.824 1.350 0.391 300 HG13 ILE 39 1HG1 ILE 39 2.812 0.250 1.319 301 HG21 ILE 39 1HG2 ILE 39 1.389 2.574 1.309 302 HG22 ILE 39 2HG2 ILE 39 0.755 3.094 -0.252 303 HG23 ILE 39 3HG2 ILE 39 2.482 3.218 0.083 304 HD11 ILE 39 3HD1 ILE 39 2.878 -1.353 -0.521 305 HD12 ILE 39 1HD1 ILE 39 4.498 -0.948 0.048 306 HD13 ILE 39 2HD1 ILE 39 3.886 -0.240 -1.448 307 H LEU 40 HN LEU 40 -1.289 1.283 1.403 308 HA LEU 40 HA LEU 40 -2.983 2.161 -0.819 309 HG LEU 40 HG LEU 40 -3.575 -0.241 1.185 310 HB2 LEU 40 2HB LEU 40 -3.535 1.986 2.144 311 HB3 LEU 40 1HB LEU 40 -4.684 2.554 0.951 312 HD11 LEU 40 1HD1 LEU 40 -6.353 0.849 1.593 313 HD12 LEU 40 2HD1 LEU 40 -5.244 0.343 2.870 314 HD13 LEU 40 3HD1 LEU 40 -5.864 -0.843 1.719 315 HD21 LEU 40 3HD2 LEU 40 -5.530 0.899 -0.807 316 HD22 LEU 40 1HD2 LEU 40 -5.090 -0.802 -0.647 317 HD23 LEU 40 2HD2 LEU 40 -3.882 0.378 -1.155 318 H LEU 41 HN LEU 41 -2.881 4.207 -1.452 319 HA LEU 41 HA LEU 41 -1.746 6.253 0.268 320 HG LEU 41 HG LEU 41 -0.820 5.109 -2.530 321 HB2 LEU 41 2HB LEU 41 -2.885 6.437 -2.526 322 HB3 LEU 41 1HB LEU 41 -2.057 7.730 -1.683 323 HD11 LEU 41 1HD1 LEU 41 0.466 6.516 -4.085 324 HD12 LEU 41 2HD1 LEU 41 -0.510 7.906 -3.609 325 HD13 LEU 41 3HD1 LEU 41 -1.264 6.538 -4.428 326 HD21 LEU 41 3HD2 LEU 41 0.417 7.535 -1.238 327 HD22 LEU 41 1HD2 LEU 41 1.285 6.114 -1.818 328 HD23 LEU 41 2HD2 LEU 41 0.160 5.971 -0.469 329 H SER 42 HN SER 42 -2.918 8.265 0.670 330 HA SER 42 HA SER 42 -5.508 7.894 1.678 331 HG SER 42 HG SER 42 -5.876 11.402 1.678 332 HB2 SER 42 2HB SER 42 -3.994 9.688 2.459 333 HB3 SER 42 1HB SER 42 -4.157 10.495 0.898 334 H SER 43 HN SER 43 -7.477 8.090 0.802 335 HA SER 43 HA SER 43 -7.761 8.215 -2.026 336 HG SER 43 HG SER 43 -10.805 6.932 -1.830 337 HB2 SER 43 2HB SER 43 -9.234 6.910 -0.393 338 HB3 SER 43 1HB SER 43 -9.992 8.452 0.004 339 H ASP 44 HN ASP 44 -8.298 10.407 0.660 340 HA ASP 44 HA ASP 44 -8.558 12.655 0.819 341 HB2 ASP 44 2HB ASP 44 -7.238 12.360 -1.842 342 HB3 ASP 44 1HB ASP 44 -7.885 13.932 -1.400 343 HA PRO 45 HA PRO 45 -12.232 13.947 -1.557 344 HB2 PRO 45 2HB PRO 45 -11.560 16.741 -1.219 345 HB3 PRO 45 1HB PRO 45 -12.841 15.824 -0.424 346 HG2 PRO 45 2HG PRO 45 -10.647 16.816 0.881 347 HG3 PRO 45 1HG PRO 45 -11.564 15.403 1.425 348 HD2 PRO 45 2HD PRO 45 -8.977 15.521 -0.070 349 HD3 PRO 45 1HD PRO 45 -9.477 14.432 1.243 350 H ARG 46 HN ARG 46 -9.935 13.203 -2.898 351 HA ARG 46 HA ARG 46 -8.866 15.312 -4.533 352 HE ARG 46 HE ARG 46 -4.686 15.421 -5.567 353 HB2 ARG 46 2HB ARG 46 -7.909 12.919 -3.658 354 HB3 ARG 46 1HB ARG 46 -8.410 12.487 -5.285 355 HG2 ARG 46 2HG ARG 46 -6.189 13.072 -5.552 356 HG3 ARG 46 1HG ARG 46 -7.046 14.541 -6.024 357 HD2 ARG 46 2HD ARG 46 -6.626 15.533 -3.862 358 HD3 ARG 46 1HD ARG 46 -5.903 14.034 -3.275 359 HH11 ARG 46 1HH1 ARG 46 -4.491 14.393 -2.202 360 HH12 ARG 46 2HH1 ARG 46 -2.787 14.708 -2.096 361 HH21 ARG 46 1HH2 ARG 46 -2.456 15.814 -5.399 362 HH22 ARG 46 2HH2 ARG 46 -1.624 15.496 -3.903 363 H ARG 47 HN ARG 47 -11.021 12.562 -4.933 364 HA ARG 47 HA ARG 47 -12.010 13.691 -7.443 365 HE ARG 47 HE ARG 47 -10.523 7.972 -6.228 366 HB2 ARG 47 2HB ARG 47 -11.957 11.446 -8.505 367 HB3 ARG 47 1HB ARG 47 -10.346 12.055 -8.144 368 HG2 ARG 47 2HG ARG 47 -10.284 10.659 -6.126 369 HG3 ARG 47 1HG ARG 47 -11.883 10.033 -6.522 370 HD2 ARG 47 2HD ARG 47 -11.019 9.078 -8.583 371 HD3 ARG 47 1HD ARG 47 -9.424 9.754 -8.246 372 HH11 ARG 47 1HH1 ARG 47 -8.446 8.303 -9.037 373 HH12 ARG 47 2HH1 ARG 47 -7.494 6.903 -8.637 374 HH21 ARG 47 1HH2 ARG 47 -9.294 6.148 -5.716 375 HH22 ARG 47 2HH2 ARG 47 -7.967 5.681 -6.744 376 H THR 48 HN THR 48 -14.169 13.267 -7.823 377 HA THR 48 HA THR 48 -16.313 12.609 -7.469 378 HB THR 48 HB THR 48 -15.134 10.573 -5.563 379 HG1 THR 48 1HG THR 48 -14.600 10.532 -7.929 380 HG21 THR 48 3HG2 THR 48 -17.270 9.392 -5.842 381 HG22 THR 48 1HG2 THR 48 -17.884 10.731 -6.811 382 HG23 THR 48 2HG2 THR 48 -17.504 10.976 -5.105 383 HA PRO 49 HA PRO 49 -17.135 15.304 -3.968 384 HB2 PRO 49 2HB PRO 49 -19.846 15.372 -4.386 385 HB3 PRO 49 1HB PRO 49 -18.692 16.403 -5.241 386 HG2 PRO 49 2HG PRO 49 -19.978 13.852 -6.132 387 HG3 PRO 49 1HG PRO 49 -19.694 15.344 -7.049 388 HD2 PRO 49 2HD PRO 49 -18.108 13.194 -7.333 389 HD3 PRO 49 1HD PRO 49 -17.459 14.846 -7.411 390 H GLU 50 HN GLU 50 -18.443 15.152 -2.022 391 HA GLU 50 HA GLU 50 -19.466 14.107 -0.270 392 HB2 GLU 50 2HB GLU 50 -21.045 13.062 -1.792 393 HB3 GLU 50 1HB GLU 50 -19.873 11.821 -2.205 394 HG2 GLU 50 2HG GLU 50 -19.922 11.185 0.258 395 HG3 GLU 50 1HG GLU 50 -21.359 12.204 0.366 396 H VAL 51 HN VAL 51 -17.574 11.730 -2.109 397 HA VAL 51 HA VAL 51 -15.802 10.424 -1.588 398 HB VAL 51 HB VAL 51 -15.276 12.344 0.686 399 HG11 VAL 51 1HG1 VAL 51 -13.997 10.297 0.877 400 HG12 VAL 51 2HG1 VAL 51 -12.935 11.622 0.405 401 HG13 VAL 51 3HG1 VAL 51 -13.459 10.444 -0.796 402 HG21 VAL 51 3HG2 VAL 51 -14.347 12.463 -2.183 403 HG22 VAL 51 1HG2 VAL 51 -13.781 13.512 -0.883 404 HG23 VAL 51 2HG2 VAL 51 -15.467 13.575 -1.397 405 H SER 52 HN SER 52 -17.275 8.751 -1.020 406 HA SER 52 HA SER 52 -17.125 8.071 1.843 407 HG SER 52 HG SER 52 -20.124 8.934 0.404 408 HB2 SER 52 2HB SER 52 -19.174 7.161 -0.200 409 HB3 SER 52 1HB SER 52 -19.108 6.635 1.480 410 H ASP 53 HN ASP 53 -15.205 7.727 -0.348 411 HA ASP 53 HA ASP 53 -15.167 4.951 -1.059 412 HB2 ASP 53 2HB ASP 53 -14.219 6.680 -2.539 413 HB3 ASP 53 1HB ASP 53 -13.022 7.077 -1.310 414 H ASN 54 HN ASN 54 -14.963 3.595 0.622 415 HA ASN 54 HA ASN 54 -12.824 4.096 2.577 416 HB2 ASN 54 2HB ASN 54 -15.336 2.428 2.722 417 HB3 ASN 54 1HB ASN 54 -14.031 2.256 3.889 418 HD21 ASN 54 1HD2 ASN 54 -16.602 4.287 2.737 419 HD22 ASN 54 2HD2 ASN 54 -16.583 5.392 4.063 420 HA PRO 55 HA PRO 55 -10.916 0.742 0.195 421 HB2 PRO 55 2HB PRO 55 -8.406 1.703 1.258 422 HB3 PRO 55 1HB PRO 55 -8.987 1.759 -0.406 423 HG2 PRO 55 2HG PRO 55 -8.640 3.977 1.149 424 HG3 PRO 55 1HG PRO 55 -9.807 3.885 -0.183 425 HD2 PRO 55 2HD PRO 55 -10.262 3.595 2.765 426 HD3 PRO 55 1HD PRO 55 -11.247 4.439 1.549 427 H VAL 56 HN VAL 56 -12.100 0.256 2.706 428 HA VAL 56 HA VAL 56 -10.008 -1.004 4.331 429 HB VAL 56 HB VAL 56 -11.698 0.492 5.418 430 HG11 VAL 56 1HG1 VAL 56 -13.623 -1.712 4.715 431 HG12 VAL 56 2HG1 VAL 56 -13.651 -0.055 4.113 432 HG13 VAL 56 3HG1 VAL 56 -13.959 -0.379 5.820 433 HG21 VAL 56 3HG2 VAL 56 -10.479 -1.175 6.714 434 HG22 VAL 56 1HG2 VAL 56 -11.722 -2.373 6.356 435 HG23 VAL 56 2HG2 VAL 56 -12.116 -0.961 7.337 436 H MET 57 HN MET 57 -12.377 -1.686 2.022 437 HA MET 57 HA MET 57 -12.822 -4.431 2.864 438 HB2 MET 57 2HB MET 57 -13.813 -2.919 0.440 439 HB3 MET 57 1HB MET 57 -14.286 -4.559 0.869 440 HG2 MET 57 2HG MET 57 -15.258 -3.721 2.956 441 HG3 MET 57 1HG MET 57 -14.805 -2.080 2.499 442 HE1 MET 57 3HE MET 57 -17.039 -5.183 1.654 443 HE2 MET 57 1HE MET 57 -16.135 -4.942 0.159 444 HE3 MET 57 2HE MET 57 -17.872 -4.642 0.197 445 H ILE 58 HN ILE 58 -10.456 -2.814 1.219 446 HA ILE 58 HA ILE 58 -9.903 -4.632 -0.886 447 HB ILE 58 HB ILE 58 -8.982 -2.293 -0.695 448 HG12 ILE 58 2HG1 ILE 58 -6.939 -4.485 -1.124 449 HG13 ILE 58 1HG1 ILE 58 -8.130 -3.976 -2.316 450 HG21 ILE 58 1HG2 ILE 58 -6.901 -1.990 0.572 451 HG22 ILE 58 2HG2 ILE 58 -7.095 -3.606 1.252 452 HG23 ILE 58 3HG2 ILE 58 -8.274 -2.345 1.621 453 HD11 ILE 58 3HD1 ILE 58 -5.950 -2.248 -1.173 454 HD12 ILE 58 1HD1 ILE 58 -7.117 -1.775 -2.407 455 HD13 ILE 58 2HD1 ILE 58 -5.927 -3.029 -2.755 456 H ALA 59 HN ALA 59 -9.615 -4.865 2.459 457 HA ALA 59 HA ALA 59 -7.400 -6.512 2.824 458 HB1 ALA 59 1HB ALA 59 -10.018 -6.568 4.320 459 HB2 ALA 59 2HB ALA 59 -8.652 -5.506 4.666 460 HB3 ALA 59 3HB ALA 59 -8.489 -7.250 4.876 461 H GLU 60 HN GLU 60 -10.772 -7.375 2.056 462 HA GLU 60 HA GLU 60 -10.281 -10.175 2.027 463 HB2 GLU 60 2HB GLU 60 -12.497 -10.378 1.007 464 HB3 GLU 60 1HB GLU 60 -12.526 -9.314 2.403 465 HG2 GLU 60 2HG GLU 60 -12.504 -7.374 0.908 466 HG3 GLU 60 1HG GLU 60 -12.521 -8.462 -0.479 467 H LEU 61 HN LEU 61 -10.029 -7.646 -0.338 468 HA LEU 61 HA LEU 61 -9.859 -9.132 -2.701 469 HG LEU 61 HG LEU 61 -8.881 -5.978 -4.365 470 HB2 LEU 61 2HB LEU 61 -9.839 -6.574 -2.293 471 HB3 LEU 61 1HB LEU 61 -8.117 -6.757 -2.091 472 HD11 LEU 61 1HD1 LEU 61 -6.653 -6.893 -3.997 473 HD12 LEU 61 2HD1 LEU 61 -7.279 -7.349 -5.581 474 HD13 LEU 61 3HD1 LEU 61 -7.272 -8.522 -4.265 475 HD21 LEU 61 3HD2 LEU 61 -9.715 -7.648 -5.921 476 HD22 LEU 61 1HD2 LEU 61 -10.830 -7.441 -4.568 477 HD23 LEU 61 2HD2 LEU 61 -9.765 -8.847 -4.627 478 H LEU 62 HN LEU 62 -7.296 -8.091 -0.482 479 HA LEU 62 HA LEU 62 -5.198 -9.483 -1.751 480 HG LEU 62 HG LEU 62 -3.484 -7.072 0.415 481 HB2 LEU 62 2HB LEU 62 -5.568 -8.265 0.943 482 HB3 LEU 62 1HB LEU 62 -4.213 -9.349 0.703 483 HD11 LEU 62 1HD1 LEU 62 -2.404 -8.720 -0.978 484 HD12 LEU 62 2HD1 LEU 62 -2.555 -7.198 -1.857 485 HD13 LEU 62 3HD1 LEU 62 -3.648 -8.535 -2.213 486 HD21 LEU 62 3HD2 LEU 62 -5.621 -6.057 -0.192 487 HD22 LEU 62 1HD2 LEU 62 -5.552 -6.847 -1.768 488 HD23 LEU 62 2HD2 LEU 62 -4.353 -5.627 -1.340 489 H ARG 63 HN ARG 63 -7.703 -10.581 0.337 490 HA ARG 63 HA ARG 63 -6.364 -12.977 1.196 491 HE ARG 63 HE ARG 63 -8.756 -13.114 5.236 492 HB2 ARG 63 2HB ARG 63 -9.315 -12.308 1.230 493 HB3 ARG 63 1HB ARG 63 -8.553 -13.650 2.074 494 HG2 ARG 63 2HG ARG 63 -7.344 -12.137 3.495 495 HG3 ARG 63 1HG ARG 63 -7.944 -10.747 2.587 496 HD2 ARG 63 2HD ARG 63 -9.322 -10.817 4.461 497 HD3 ARG 63 1HD ARG 63 -10.280 -11.599 3.208 498 HH11 ARG 63 1HH1 ARG 63 -11.620 -12.657 3.262 499 HH12 ARG 63 2HH1 ARG 63 -12.509 -13.935 4.039 500 HH21 ARG 63 1HH2 ARG 63 -9.927 -14.780 6.258 501 HH22 ARG 63 2HH2 ARG 63 -11.551 -15.125 5.753 502 H GLU 64 HN GLU 64 -7.470 -12.026 -1.749 503 HA GLU 64 HA GLU 64 -8.545 -14.541 -2.666 504 HB2 GLU 64 2HB GLU 64 -8.595 -11.931 -3.604 505 HB3 GLU 64 1HB GLU 64 -7.470 -12.718 -4.700 506 HG2 GLU 64 2HG GLU 64 -10.286 -13.610 -4.133 507 HG3 GLU 64 1HG GLU 64 -9.751 -12.722 -5.557 508 H PHE 65 HN PHE 65 -5.503 -13.154 -2.079 509 HA PHE 65 HA PHE 65 -4.180 -15.321 -3.571 510 HD1 PHE 65 1HD PHE 65 -4.595 -14.417 -5.897 511 HD2 PHE 65 2HD PHE 65 -3.717 -10.733 -3.967 512 HE1 PHE 65 1HE PHE 65 -5.882 -13.215 -7.617 513 HE2 PHE 65 2HE PHE 65 -5.007 -9.525 -5.673 514 HZ PHE 65 HZ PHE 65 -6.093 -10.761 -7.504 515 HB2 PHE 65 2HB PHE 65 -2.868 -12.655 -3.092 516 HB3 PHE 65 1HB PHE 65 -2.453 -13.892 -4.273 517 HA PRO 66 HA PRO 66 -2.887 -15.138 0.947 518 HB2 PRO 66 2HB PRO 66 -4.059 -17.348 1.919 519 HB3 PRO 66 1HB PRO 66 -4.943 -15.826 1.765 520 HG2 PRO 66 2HG PRO 66 -5.035 -18.255 0.042 521 HG3 PRO 66 1HG PRO 66 -6.345 -17.161 0.516 522 HD2 PRO 66 2HD PRO 66 -4.998 -17.107 -1.914 523 HD3 PRO 66 1HD PRO 66 -5.958 -15.778 -1.242 524 H GLN 67 HN GLN 67 -1.535 -16.047 -1.356 525 HA GLN 67 HA GLN 67 -0.371 -18.623 -0.603 526 HB2 GLN 67 2HB GLN 67 0.057 -16.877 -3.042 527 HB3 GLN 67 1HB GLN 67 0.765 -18.470 -2.795 528 HG2 GLN 67 2HG GLN 67 -1.380 -19.511 -2.882 529 HG3 GLN 67 1HG GLN 67 -2.195 -17.949 -2.872 530 HE21 GLN 67 1HE2 GLN 67 -3.271 -18.347 -4.775 531 HE22 GLN 67 2HE2 GLN 67 -2.470 -18.361 -6.314 532 H PHE 68 HN PHE 68 0.546 -15.277 -1.327 533 HA PHE 68 HA PHE 68 3.118 -15.613 -0.033 534 HD1 PHE 68 2HD PHE 68 4.481 -15.352 -2.228 535 HD2 PHE 68 1HD PHE 68 1.088 -12.957 -3.067 536 HE1 PHE 68 2HE PHE 68 4.713 -15.879 -4.623 537 HE2 PHE 68 1HE PHE 68 1.299 -13.455 -5.460 538 HZ PHE 68 HZ PHE 68 3.116 -14.930 -6.242 539 HB2 PHE 68 2HB PHE 68 1.883 -13.018 -0.947 540 HB3 PHE 68 1HB PHE 68 3.586 -13.380 -0.706 541 H ASP 69 HN ASP 69 -0.045 -14.303 0.620 542 HA ASP 69 HA ASP 69 -0.996 -13.127 2.304 543 HB2 ASP 69 2HB ASP 69 -0.287 -15.183 3.591 544 HB3 ASP 69 1HB ASP 69 1.141 -14.291 4.103 545 H TRP 70 HN TRP 70 -0.641 -11.052 1.734 546 HA TRP 70 HA TRP 70 2.093 -10.066 1.739 547 HD1 TRP 70 1HD TRP 70 -0.311 -11.876 0.225 548 HE1 TRP 70 1HE TRP 70 -0.479 -12.714 -2.191 549 HE3 TRP 70 3HE TRP 70 1.243 -7.656 -2.219 550 HZ2 TRP 70 2HZ TRP 70 -0.035 -11.738 -4.781 551 HZ3 TRP 70 3HZ TRP 70 1.340 -7.706 -4.680 552 HH2 TRP 70 2HH TRP 70 0.715 -9.714 -5.929 553 HB2 TRP 70 2HB TRP 70 -0.281 -8.570 0.666 554 HB3 TRP 70 1HB TRP 70 1.390 -8.418 0.201 555 H GLN 71 HN GLN 71 2.566 -7.882 2.526 556 HA GLN 71 HA GLN 71 1.027 -7.307 4.950 557 HB2 GLN 71 2HB GLN 71 3.722 -6.262 4.067 558 HB3 GLN 71 1HB GLN 71 2.954 -5.930 5.614 559 HG2 GLN 71 2HG GLN 71 2.997 -8.371 6.085 560 HG3 GLN 71 1HG GLN 71 3.916 -8.592 4.598 561 HE21 GLN 71 1HE2 GLN 71 4.316 -5.841 6.723 562 HE22 GLN 71 2HE2 GLN 71 5.895 -6.259 7.285 563 H VAL 72 HN VAL 72 -0.347 -5.648 5.022 564 HA VAL 72 HA VAL 72 -0.392 -3.788 2.766 565 HB VAL 72 HB VAL 72 -2.463 -4.152 4.938 566 HG11 VAL 72 1HG1 VAL 72 -2.621 -2.769 2.259 567 HG12 VAL 72 2HG1 VAL 72 -2.559 -1.977 3.833 568 HG13 VAL 72 3HG1 VAL 72 -3.952 -2.966 3.399 569 HG21 VAL 72 3HG2 VAL 72 -3.741 -5.428 3.272 570 HG22 VAL 72 1HG2 VAL 72 -2.216 -6.215 3.681 571 HG23 VAL 72 2HG2 VAL 72 -2.372 -5.333 2.163 572 H ALA 73 HN ALA 73 0.256 -1.749 2.955 573 HA ALA 73 HA ALA 73 0.474 -0.584 5.658 574 HB1 ALA 73 1HB ALA 73 2.403 0.689 4.873 575 HB2 ALA 73 2HB ALA 73 2.284 -0.089 3.296 576 HB3 ALA 73 3HB ALA 73 2.683 -1.045 4.723 577 H VAL 74 HN VAL 74 0.108 1.689 5.795 578 HA VAL 74 HA VAL 74 -1.324 2.848 3.493 579 HB VAL 74 HB VAL 74 -2.911 3.923 5.059 580 HG11 VAL 74 1HG1 VAL 74 -4.260 1.946 5.561 581 HG12 VAL 74 2HG1 VAL 74 -2.861 0.914 5.260 582 HG13 VAL 74 3HG1 VAL 74 -3.562 1.856 3.944 583 HG21 VAL 74 3HG2 VAL 74 -1.635 2.143 7.133 584 HG22 VAL 74 1HG2 VAL 74 -3.083 3.122 7.367 585 HG23 VAL 74 2HG2 VAL 74 -1.531 3.903 7.066 586 H ALA 75 HN ALA 75 -1.499 5.259 3.686 587 HA ALA 75 HA ALA 75 0.791 6.373 5.168 588 HB1 ALA 75 1HB ALA 75 1.256 6.337 2.772 589 HB2 ALA 75 2HB ALA 75 1.082 7.993 3.355 590 HB3 ALA 75 3HB ALA 75 -0.233 7.230 2.462 591 H ASP 76 HN ASP 76 0.427 8.204 6.337 592 HA ASP 76 HA ASP 76 -2.215 8.720 7.160 593 HB2 ASP 76 2HB ASP 76 0.268 10.384 7.635 594 HB3 ASP 76 1HB ASP 76 -1.244 10.528 8.521 595 H LEU 77 HN LEU 77 -0.181 11.455 6.232 596 HA LEU 77 HA LEU 77 -2.304 12.310 4.379 597 HG LEU 77 HG LEU 77 -3.877 13.213 5.987 598 HB2 LEU 77 2HB LEU 77 -1.029 13.968 6.548 599 HB3 LEU 77 1HB LEU 77 -1.888 14.676 5.198 600 HD11 LEU 77 1HD1 LEU 77 -3.922 12.781 8.389 601 HD12 LEU 77 2HD1 LEU 77 -2.242 13.300 8.519 602 HD13 LEU 77 3HD1 LEU 77 -2.651 11.854 7.595 603 HD21 LEU 77 3HD2 LEU 77 -2.946 15.595 7.586 604 HD22 LEU 77 1HD2 LEU 77 -4.599 14.984 7.512 605 HD23 LEU 77 2HD2 LEU 77 -3.837 15.645 6.065 606 H GLU 78 HN GLU 78 0.610 14.004 5.457 607 HA GLU 78 HA GLU 78 1.345 14.873 2.921 608 HB2 GLU 78 2HB GLU 78 3.472 15.478 4.005 609 HB3 GLU 78 1HB GLU 78 2.085 15.982 4.945 610 HG2 GLU 78 2HG GLU 78 2.393 13.997 6.378 611 HG3 GLU 78 1HG GLU 78 3.848 13.599 5.465 612 H GLN 79 HN GLN 79 2.106 11.996 4.695 613 HA GLN 79 HA GLN 79 4.287 10.990 3.328 614 HB2 GLN 79 2HB GLN 79 1.918 9.514 4.494 615 HB3 GLN 79 1HB GLN 79 3.393 8.734 3.955 616 HG2 GLN 79 2HG GLN 79 3.492 8.917 6.313 617 HG3 GLN 79 1HG GLN 79 4.642 10.069 5.644 618 HE21 GLN 79 1HE2 GLN 79 4.626 11.226 7.599 619 HE22 GLN 79 2HE2 GLN 79 3.298 12.246 8.040 620 H SER 80 HN SER 80 0.827 10.559 2.590 621 HA SER 80 HA SER 80 1.042 8.846 0.422 622 HG SER 80 HG SER 80 -1.638 9.809 2.404 623 HB2 SER 80 2HB SER 80 -0.995 11.046 0.845 624 HB3 SER 80 1HB SER 80 -1.177 9.683 -0.254 625 H GLU 81 HN GLU 81 1.169 12.370 0.494 626 HA GLU 81 HA GLU 81 1.075 12.849 -2.263 627 HB2 GLU 81 2HB GLU 81 0.830 14.495 -0.324 628 HB3 GLU 81 1HB GLU 81 2.585 14.530 -0.273 629 HG2 GLU 81 2HG GLU 81 1.847 16.405 -1.519 630 HG3 GLU 81 1HG GLU 81 2.575 15.262 -2.648 631 H ALA 82 HN ALA 82 3.828 12.356 -0.084 632 HA ALA 82 HA ALA 82 5.773 12.777 -2.155 633 HB1 ALA 82 1HB ALA 82 6.141 11.617 0.603 634 HB2 ALA 82 2HB ALA 82 6.247 13.326 0.189 635 HB3 ALA 82 3HB ALA 82 7.418 12.186 -0.471 636 H ILE 83 HN ILE 83 4.188 10.012 -0.704 637 HA ILE 83 HA ILE 83 5.959 8.029 -1.675 638 HB ILE 83 HB ILE 83 3.079 7.878 -0.792 639 HG12 ILE 83 2HG1 ILE 83 5.663 6.980 0.511 640 HG13 ILE 83 1HG1 ILE 83 4.750 8.423 0.940 641 HG21 ILE 83 1HG2 ILE 83 3.494 6.081 -2.384 642 HG22 ILE 83 2HG2 ILE 83 3.327 5.444 -0.749 643 HG23 ILE 83 3HG2 ILE 83 4.927 5.594 -1.479 644 HD11 ILE 83 3HD1 ILE 83 4.356 6.625 2.517 645 HD12 ILE 83 1HD1 ILE 83 3.794 5.583 1.208 646 HD13 ILE 83 2HD1 ILE 83 2.878 7.027 1.642 647 H GLY 84 HN GLY 84 2.949 9.405 -2.995 648 HA2 GLY 84 2HA GLY 84 2.795 7.761 -5.285 649 HA3 GLY 84 1HA GLY 84 2.116 9.377 -5.148 650 H ASP 85 HN ASP 85 4.558 10.728 -4.648 651 HA ASP 85 HA ASP 85 5.563 11.130 -7.262 652 HB2 ASP 85 2HB ASP 85 5.566 12.919 -5.602 653 HB3 ASP 85 1HB ASP 85 6.646 11.989 -4.573 654 H ARG 86 HN ARG 86 6.840 9.499 -4.399 655 HA ARG 86 HA ARG 86 9.364 8.792 -5.338 656 HE ARG 86 HE ARG 86 11.509 5.083 -3.024 657 HB2 ARG 86 2HB ARG 86 8.825 8.549 -3.015 658 HB3 ARG 86 1HB ARG 86 7.519 7.432 -3.369 659 HG2 ARG 86 2HG ARG 86 9.410 6.245 -2.452 660 HG3 ARG 86 1HG ARG 86 9.161 5.770 -4.132 661 HD2 ARG 86 2HD ARG 86 10.960 7.263 -4.825 662 HD3 ARG 86 1HD ARG 86 11.193 7.774 -3.154 663 HH11 ARG 86 1HH1 ARG 86 12.929 7.570 -5.049 664 HH12 ARG 86 2HH1 ARG 86 14.448 6.736 -5.219 665 HH21 ARG 86 1HH2 ARG 86 13.473 3.990 -3.226 666 HH22 ARG 86 2HH2 ARG 86 14.758 4.672 -4.200 667 H PHE 87 HN PHE 87 6.276 7.103 -5.695 668 HA PHE 87 HA PHE 87 7.567 4.879 -7.041 669 HD1 PHE 87 2HD PHE 87 7.841 3.938 -5.434 670 HD2 PHE 87 1HD PHE 87 3.680 4.197 -4.606 671 HE1 PHE 87 2HE PHE 87 8.226 2.940 -3.220 672 HE2 PHE 87 1HE PHE 87 4.054 3.199 -2.392 673 HZ PHE 87 HZ PHE 87 6.328 2.567 -1.697 674 HB2 PHE 87 2HB PHE 87 4.653 5.414 -6.432 675 HB3 PHE 87 1HB PHE 87 5.257 3.954 -7.205 676 H ASN 88 HN ASN 88 6.520 7.887 -7.948 677 HA ASN 88 HA ASN 88 6.142 8.919 -9.933 678 HB2 ASN 88 2HB ASN 88 7.379 6.369 -10.981 679 HB3 ASN 88 1HB ASN 88 6.972 7.740 -12.010 680 HD21 ASN 88 1HD2 ASN 88 9.043 6.592 -9.448 681 HD22 ASN 88 2HD2 ASN 88 10.204 7.876 -9.545 682 H VAL 89 HN VAL 89 4.008 7.562 -8.721 683 HA VAL 89 HA VAL 89 2.495 6.420 -10.965 684 HB VAL 89 HB VAL 89 2.585 5.223 -8.752 685 HG11 VAL 89 1HG1 VAL 89 2.523 7.086 -7.242 686 HG12 VAL 89 2HG1 VAL 89 1.130 6.045 -6.943 687 HG13 VAL 89 3HG1 VAL 89 0.927 7.557 -7.828 688 HG21 VAL 89 3HG2 VAL 89 0.826 4.729 -10.345 689 HG22 VAL 89 1HG2 VAL 89 -0.148 6.056 -9.712 690 HG23 VAL 89 2HG2 VAL 89 0.201 4.658 -8.697 691 H ARG 90 HN ARG 90 3.214 9.308 -9.925 692 HA ARG 90 HA ARG 90 2.376 11.396 -10.093 693 HE ARG 90 HE ARG 90 -0.537 14.452 -12.550 694 HB2 ARG 90 2HB ARG 90 1.290 10.442 -12.200 695 HB3 ARG 90 1HB ARG 90 -0.167 10.234 -11.238 696 HG2 ARG 90 2HG ARG 90 -0.264 12.617 -10.821 697 HG3 ARG 90 1HG ARG 90 1.237 12.853 -11.715 698 HD2 ARG 90 2HD ARG 90 0.194 12.142 -13.760 699 HD3 ARG 90 1HD ARG 90 -1.280 11.692 -12.898 700 HH11 ARG 90 1HH1 ARG 90 -2.208 12.190 -14.650 701 HH12 ARG 90 2HH1 ARG 90 -3.302 13.386 -15.269 702 HH21 ARG 90 1HH2 ARG 90 -1.990 16.020 -13.359 703 HH22 ARG 90 2HH2 ARG 90 -3.195 15.552 -14.525 704 H ARG 91 HN ARG 91 0.192 12.667 -9.383 705 HA ARG 91 HA ARG 91 -0.072 11.808 -6.620 706 HE ARG 91 HE ARG 91 0.457 15.738 -5.083 707 HB2 ARG 91 2HB ARG 91 -0.961 14.388 -7.923 708 HB3 ARG 91 1HB ARG 91 -0.874 14.064 -6.195 709 HG2 ARG 91 2HG ARG 91 1.506 13.924 -6.264 710 HG3 ARG 91 1HG ARG 91 1.510 13.977 -8.026 711 HD2 ARG 91 2HD ARG 91 2.132 16.133 -7.253 712 HD3 ARG 91 1HD ARG 91 0.486 16.251 -7.874 713 HH11 ARG 91 1HH1 ARG 91 1.118 18.261 -7.419 714 HH12 ARG 91 2HH1 ARG 91 0.717 19.557 -6.336 715 HH21 ARG 91 1HH2 ARG 91 -0.052 17.447 -3.634 716 HH22 ARG 91 2HH2 ARG 91 0.072 19.097 -4.177 717 H PHE 92 HN PHE 92 -1.469 10.008 -7.321 718 HA PHE 92 HA PHE 92 -4.269 10.823 -7.112 719 HD1 PHE 92 1HD PHE 92 -6.283 10.952 -8.970 720 HD2 PHE 92 2HD PHE 92 -2.441 10.686 -10.786 721 HE1 PHE 92 1HE PHE 92 -6.889 12.774 -10.510 722 HE2 PHE 92 2HE PHE 92 -3.038 12.510 -12.322 723 HZ PHE 92 HZ PHE 92 -5.259 13.556 -12.186 724 HB2 PHE 92 2HB PHE 92 -3.129 9.042 -9.264 725 HB3 PHE 92 1HB PHE 92 -4.812 8.918 -8.764 726 HA PRO 93 HA PRO 93 -4.346 7.492 -4.190 727 HB2 PRO 93 2HB PRO 93 -7.166 7.050 -4.787 728 HB3 PRO 93 1HB PRO 93 -6.424 7.670 -3.310 729 HG2 PRO 93 2HG PRO 93 -7.898 9.221 -4.973 730 HG3 PRO 93 1HG PRO 93 -6.560 9.853 -3.999 731 HD2 PRO 93 2HD PRO 93 -6.628 9.153 -6.905 732 HD3 PRO 93 1HD PRO 93 -5.823 10.512 -6.092 733 H ALA 94 HN ALA 94 -3.439 5.639 -4.717 734 HA ALA 94 HA ALA 94 -4.849 3.700 -6.358 735 HB1 ALA 94 1HB ALA 94 -2.062 4.613 -7.074 736 HB2 ALA 94 2HB ALA 94 -3.527 4.965 -7.993 737 HB3 ALA 94 3HB ALA 94 -2.963 3.302 -7.838 738 H THR 95 HN THR 95 -4.243 1.599 -5.937 739 HA THR 95 HA THR 95 -2.664 1.177 -3.543 740 HB THR 95 HB THR 95 -4.015 -0.877 -5.308 741 HG1 THR 95 1HG THR 95 -5.236 0.977 -4.038 742 HG21 THR 95 3HG2 THR 95 -2.356 -1.835 -3.811 743 HG22 THR 95 1HG2 THR 95 -3.976 -2.256 -3.259 744 HG23 THR 95 2HG2 THR 95 -3.070 -0.983 -2.442 745 H LEU 96 HN LEU 96 -0.519 0.813 -3.649 746 HA LEU 96 HA LEU 96 0.637 0.109 -6.235 747 HG LEU 96 HG LEU 96 2.894 2.804 -5.102 748 HB2 LEU 96 2HB LEU 96 1.856 1.063 -3.653 749 HB3 LEU 96 1HB LEU 96 2.833 0.426 -4.962 750 HD11 LEU 96 1HD1 LEU 96 1.986 3.209 -7.320 751 HD12 LEU 96 2HD1 LEU 96 0.996 1.757 -7.192 752 HD13 LEU 96 3HD1 LEU 96 2.753 1.624 -7.226 753 HD21 LEU 96 3HD2 LEU 96 0.868 4.173 -5.366 754 HD22 LEU 96 1HD2 LEU 96 0.935 3.363 -3.799 755 HD23 LEU 96 2HD2 LEU 96 -0.119 2.740 -5.070 756 H VAL 97 HN VAL 97 1.270 -1.833 -6.743 757 HA VAL 97 HA VAL 97 1.115 -3.925 -4.693 758 HB VAL 97 HB VAL 97 1.166 -4.216 -7.702 759 HG11 VAL 97 1HG1 VAL 97 0.388 -6.498 -7.268 760 HG12 VAL 97 2HG1 VAL 97 0.527 -6.212 -5.533 761 HG13 VAL 97 3HG1 VAL 97 1.970 -6.199 -6.546 762 HG21 VAL 97 3HG2 VAL 97 -0.837 -3.027 -6.929 763 HG22 VAL 97 1HG2 VAL 97 -1.186 -4.349 -5.816 764 HG23 VAL 97 2HG2 VAL 97 -1.227 -4.628 -7.555 765 H PHE 98 HN PHE 98 2.959 -4.607 -3.841 766 HA PHE 98 HA PHE 98 5.372 -4.597 -5.527 767 HD1 PHE 98 2HD PHE 98 7.905 -3.508 -4.818 768 HD2 PHE 98 1HD PHE 98 4.464 -1.662 -3.133 769 HE1 PHE 98 2HE PHE 98 8.720 -1.323 -5.570 770 HE2 PHE 98 1HE PHE 98 5.273 0.539 -3.881 771 HZ PHE 98 HZ PHE 98 7.406 0.713 -5.100 772 HB2 PHE 98 2HB PHE 98 4.976 -3.927 -2.645 773 HB3 PHE 98 1HB PHE 98 6.506 -4.644 -3.147 774 H THR 99 HN THR 99 6.436 -6.434 -5.812 775 HA THR 99 HA THR 99 5.801 -8.723 -4.074 776 HB THR 99 HB THR 99 5.914 -10.189 -6.142 777 HG1 THR 99 1HG THR 99 6.765 -8.262 -7.400 778 HG21 THR 99 3HG2 THR 99 3.581 -9.775 -6.802 779 HG22 THR 99 1HG2 THR 99 3.630 -8.218 -5.975 780 HG23 THR 99 2HG2 THR 99 3.782 -9.712 -5.051 781 H ASP 100 HN ASP 100 7.610 -9.496 -3.252 782 HA ASP 100 HA ASP 100 9.779 -10.086 -2.920 783 HB2 ASP 100 2HB ASP 100 9.202 -11.329 -5.107 784 HB3 ASP 100 1HB ASP 100 10.181 -10.106 -5.897 785 H GLY 101 HN GLY 101 9.039 -7.216 -3.373 786 HA2 GLY 101 2HA GLY 101 10.386 -5.312 -3.060 787 HA3 GLY 101 1HA GLY 101 11.760 -6.202 -3.696 788 H LYS 102 HN LYS 102 9.555 -6.945 -5.903 789 HA LYS 102 HA LYS 102 10.386 -4.722 -7.624 790 HB2 LYS 102 2HB LYS 102 9.066 -7.361 -8.299 791 HB3 LYS 102 1HB LYS 102 9.456 -6.121 -9.478 792 HG2 LYS 102 2HG LYS 102 11.193 -7.649 -9.666 793 HG3 LYS 102 1HG LYS 102 11.870 -6.366 -8.663 794 HD2 LYS 102 2HD LYS 102 11.526 -7.670 -6.671 795 HD3 LYS 102 1HD LYS 102 10.665 -8.910 -7.583 796 HE2 LYS 102 2HE LYS 102 12.924 -9.643 -7.123 797 HE3 LYS 102 1HE LYS 102 12.719 -9.373 -8.852 798 HZ1 LYS 102 3HZ LYS 102 14.016 -7.494 -6.947 799 HZ2 LYS 102 1HZ LYS 102 13.820 -7.233 -8.612 800 HZ3 LYS 102 2HZ LYS 102 14.818 -8.487 -8.062 801 H LEU 103 HN LEU 103 8.934 -3.409 -8.717 802 HA LEU 103 HA LEU 103 6.317 -3.214 -7.460 803 HG LEU 103 HG LEU 103 5.316 -1.083 -9.647 804 HB2 LEU 103 2HB LEU 103 7.611 -1.172 -7.681 805 HB3 LEU 103 1HB LEU 103 7.755 -1.412 -9.410 806 HD11 LEU 103 1HD1 LEU 103 5.408 -0.420 -6.707 807 HD12 LEU 103 2HD1 LEU 103 4.627 -1.827 -7.427 808 HD13 LEU 103 3HD1 LEU 103 4.023 -0.208 -7.776 809 HD21 LEU 103 3HD2 LEU 103 6.763 1.139 -8.209 810 HD22 LEU 103 1HD2 LEU 103 5.317 1.324 -9.203 811 HD23 LEU 103 2HD2 LEU 103 6.831 0.797 -9.938 812 H ARG 104 HN ARG 104 4.479 -3.867 -8.371 813 HA ARG 104 HA ARG 104 4.563 -4.875 -11.106 814 HE ARG 104 HE ARG 104 6.071 -6.427 -10.607 815 HB2 ARG 104 2HB ARG 104 2.461 -5.084 -8.947 816 HB3 ARG 104 1HB ARG 104 2.260 -5.732 -10.568 817 HG2 ARG 104 2HG ARG 104 4.444 -6.545 -8.660 818 HG3 ARG 104 1HG ARG 104 2.935 -7.425 -8.894 819 HD2 ARG 104 2HD ARG 104 4.697 -8.468 -10.187 820 HD3 ARG 104 1HD ARG 104 3.518 -7.739 -11.275 821 HH11 ARG 104 1HH1 ARG 104 3.758 -7.587 -12.975 822 HH12 ARG 104 2HH1 ARG 104 4.479 -6.708 -14.286 823 HH21 ARG 104 1HH2 ARG 104 6.997 -5.252 -12.325 824 HH22 ARG 104 2HH2 ARG 104 6.317 -5.372 -13.922 825 H GLY 105 HN GLY 105 3.267 -2.263 -9.245 826 HA2 GLY 105 2HA GLY 105 2.999 -0.249 -10.766 827 HA3 GLY 105 1HA GLY 105 1.852 -1.266 -11.628 828 H ALA 106 HN ALA 106 0.353 0.485 -11.170 829 HA ALA 106 HA ALA 106 -0.582 0.591 -8.395 830 HB1 ALA 106 1HB ALA 106 -1.882 2.536 -9.098 831 HB2 ALA 106 2HB ALA 106 -1.338 2.311 -10.758 832 HB3 ALA 106 3HB ALA 106 -0.178 2.738 -9.501 833 H LEU 107 HN LEU 107 -2.825 0.278 -7.922 834 HA LEU 107 HA LEU 107 -4.092 -1.522 -9.875 835 HG LEU 107 HG LEU 107 -5.168 -3.873 -7.252 836 HB2 LEU 107 2HB LEU 107 -3.397 -2.275 -7.462 837 HB3 LEU 107 1HB LEU 107 -4.855 -1.437 -6.978 838 HD11 LEU 107 1HD1 LEU 107 -6.736 -2.188 -9.198 839 HD12 LEU 107 2HD1 LEU 107 -7.092 -2.414 -7.485 840 HD13 LEU 107 3HD1 LEU 107 -7.211 -3.777 -8.600 841 HD21 LEU 107 3HD2 LEU 107 -5.197 -4.842 -9.495 842 HD22 LEU 107 1HD2 LEU 107 -3.594 -4.238 -9.072 843 HD23 LEU 107 2HD2 LEU 107 -4.626 -3.313 -10.165 844 H SER 108 HN SER 108 -5.438 -0.340 -11.037 845 HA SER 108 HA SER 108 -7.645 0.954 -9.654 846 HG SER 108 HG SER 108 -5.869 2.331 -9.084 847 HB2 SER 108 2HB SER 108 -5.998 2.363 -11.775 848 HB3 SER 108 1HB SER 108 -7.501 2.969 -11.078 849 H GLY 109 HN GLY 109 -9.173 -0.395 -10.373 850 HA2 GLY 109 2HA GLY 109 -9.266 -0.992 -13.249 851 HA3 GLY 109 1HA GLY 109 -10.089 -1.907 -11.991 852 H ILE 110 HN ILE 110 -12.181 -1.517 -11.695 853 HA ILE 110 HA ILE 110 -13.277 0.974 -12.816 854 HB ILE 110 HB ILE 110 -14.878 -1.519 -12.215 855 HG12 ILE 110 2HG1 ILE 110 -14.862 -1.600 -14.860 856 HG13 ILE 110 1HG1 ILE 110 -13.319 -0.778 -14.663 857 HG21 ILE 110 1HG2 ILE 110 -16.519 -0.482 -13.726 858 HG22 ILE 110 2HG2 ILE 110 -15.458 0.917 -13.902 859 HG23 ILE 110 3HG2 ILE 110 -16.161 0.537 -12.330 860 HD11 ILE 110 3HD1 ILE 110 -14.053 -3.448 -13.485 861 HD12 ILE 110 1HD1 ILE 110 -12.503 -2.628 -13.299 862 HD13 ILE 110 2HD1 ILE 110 -13.023 -3.178 -14.891 863 H HIS 111 HN HIS 111 -14.744 -1.289 -10.570 864 HA HIS 111 HA HIS 111 -14.281 0.160 -8.198 865 HD1 HIS 111 1HD HIS 111 -15.874 3.318 -10.066 866 HD2 HIS 111 2HD HIS 111 -15.387 2.015 -6.146 867 HE1 HIS 111 1HE HIS 111 -15.111 5.334 -8.769 868 HE2 HIS 111 2HE HIS 111 -14.636 4.473 -6.448 869 HB2 HIS 111 2HB HIS 111 -16.618 0.981 -9.768 870 HB3 HIS 111 1HB HIS 111 -17.019 0.507 -8.121 871 HA PRO 112 HA PRO 112 -17.247 -3.536 -7.431 872 HB2 PRO 112 2HB PRO 112 -17.883 -4.724 -10.010 873 HB3 PRO 112 1HB PRO 112 -18.977 -4.158 -8.747 874 HG2 PRO 112 2HG PRO 112 -18.733 -2.908 -11.135 875 HG3 PRO 112 1HG PRO 112 -19.126 -2.048 -9.633 876 HD2 PRO 112 2HD PRO 112 -16.486 -2.302 -11.040 877 HD3 PRO 112 1HD PRO 112 -17.233 -0.868 -10.300 878 H TRP 113 HN TRP 113 -17.242 -6.047 -8.210 879 HA TRP 113 HA TRP 113 -14.440 -6.765 -8.036 880 HD1 TRP 113 1HD TRP 113 -14.875 -10.731 -8.184 881 HE1 TRP 113 1HE TRP 113 -13.196 -11.636 -6.463 882 HE3 TRP 113 3HE TRP 113 -15.002 -6.868 -4.836 883 HZ2 TRP 113 2HZ TRP 113 -12.064 -10.809 -4.013 884 HZ3 TRP 113 3HZ TRP 113 -13.594 -7.007 -2.826 885 HH2 TRP 113 2HH TRP 113 -12.155 -8.940 -2.422 886 HB2 TRP 113 2HB TRP 113 -16.599 -7.680 -6.748 887 HB3 TRP 113 1HB TRP 113 -16.647 -8.779 -8.117 888 H ALA 114 HN ALA 114 -15.404 -9.451 -9.234 889 HA ALA 114 HA ALA 114 -15.518 -10.593 -11.171 890 HB1 ALA 114 1HB ALA 114 -16.366 -7.979 -12.402 891 HB2 ALA 114 2HB ALA 114 -17.437 -9.154 -11.639 892 HB3 ALA 114 3HB ALA 114 -16.562 -9.582 -13.109 893 H GLU 115 HN GLU 115 -14.533 -7.565 -12.715 894 HA GLU 115 HA GLU 115 -12.651 -9.089 -14.272 895 HB2 GLU 115 2HB GLU 115 -13.370 -6.157 -14.356 896 HB3 GLU 115 1HB GLU 115 -12.330 -6.973 -15.516 897 HG2 GLU 115 2HG GLU 115 -15.241 -7.546 -15.013 898 HG3 GLU 115 1HG GLU 115 -14.554 -6.727 -16.416 899 H LEU 116 HN LEU 116 -12.466 -7.342 -11.407 900 HA LEU 116 HA LEU 116 -9.923 -6.170 -11.546 901 HG LEU 116 HG LEU 116 -9.221 -5.159 -9.441 902 HB2 LEU 116 2HB LEU 116 -11.691 -5.950 -9.719 903 HB3 LEU 116 1HB LEU 116 -11.107 -7.477 -9.095 904 HD11 LEU 116 1HD1 LEU 116 -11.116 -4.320 -8.140 905 HD12 LEU 116 2HD1 LEU 116 -9.683 -4.510 -7.129 906 HD13 LEU 116 3HD1 LEU 116 -10.982 -5.699 -7.049 907 HD21 LEU 116 3HD2 LEU 116 -8.035 -6.269 -7.619 908 HD22 LEU 116 1HD2 LEU 116 -8.276 -7.373 -8.973 909 HD23 LEU 116 2HD2 LEU 116 -9.293 -7.502 -7.536 910 H LEU 117 HN LEU 117 -10.926 -9.469 -10.830 911 HA LEU 117 HA LEU 117 -8.447 -10.471 -10.003 912 HG LEU 117 HG LEU 117 -11.017 -12.999 -9.196 913 HB2 LEU 117 2HB LEU 117 -10.757 -11.821 -11.397 914 HB3 LEU 117 1HB LEU 117 -9.344 -12.691 -10.834 915 HD11 LEU 117 1HD1 LEU 117 -8.813 -12.564 -8.285 916 HD12 LEU 117 2HD1 LEU 117 -10.066 -11.945 -7.210 917 HD13 LEU 117 3HD1 LEU 117 -9.157 -10.835 -8.237 918 HD21 LEU 117 3HD2 LEU 117 -11.404 -10.012 -9.146 919 HD22 LEU 117 1HD2 LEU 117 -12.240 -11.191 -8.134 920 HD23 LEU 117 2HD2 LEU 117 -12.503 -11.181 -9.878 921 H THR 118 HN THR 118 -9.938 -10.428 -13.221 922 HA THR 118 HA THR 118 -7.889 -11.711 -14.606 923 HB THR 118 HB THR 118 -9.695 -9.563 -15.732 924 HG1 THR 118 1HG THR 118 -11.110 -11.397 -16.154 925 HG21 THR 118 3HG2 THR 118 -9.502 -10.876 -17.804 926 HG22 THR 118 1HG2 THR 118 -8.399 -11.986 -16.994 927 HG23 THR 118 2HG2 THR 118 -7.927 -10.307 -17.255 928 H LEU 119 HN LEU 119 -8.431 -8.236 -14.061 929 HA LEU 119 HA LEU 119 -6.189 -7.407 -15.588 930 HG LEU 119 HG LEU 119 -8.313 -4.417 -15.412 931 HB2 LEU 119 2HB LEU 119 -8.025 -6.092 -13.641 932 HB3 LEU 119 1HB LEU 119 -6.519 -5.286 -14.036 933 HD11 LEU 119 1HD1 LEU 119 -7.350 -4.794 -17.632 934 HD12 LEU 119 2HD1 LEU 119 -6.418 -6.147 -16.989 935 HD13 LEU 119 3HD1 LEU 119 -6.111 -4.509 -16.409 936 HD21 LEU 119 3HD2 LEU 119 -9.798 -6.355 -15.377 937 HD22 LEU 119 1HD2 LEU 119 -8.674 -7.239 -16.410 938 HD23 LEU 119 2HD2 LEU 119 -9.499 -5.806 -17.027 939 H MET 120 HN MET 120 -6.672 -7.776 -12.068 940 HA MET 120 HA MET 120 -4.069 -6.853 -11.429 941 HB2 MET 120 2HB MET 120 -5.956 -6.851 -9.832 942 HB3 MET 120 1HB MET 120 -5.866 -8.604 -9.755 943 HG2 MET 120 2HG MET 120 -3.659 -8.498 -8.803 944 HG3 MET 120 1HG MET 120 -3.626 -6.747 -8.993 945 HE1 MET 120 3HE MET 120 -3.813 -7.114 -5.117 946 HE2 MET 120 1HE MET 120 -2.962 -6.379 -6.476 947 HE3 MET 120 2HE MET 120 -2.918 -8.127 -6.248 948 H ARG 121 HN ARG 121 -5.363 -10.162 -11.810 949 HA ARG 121 HA ARG 121 -3.057 -11.469 -10.872 950 HE ARG 121 HE ARG 121 -7.210 -14.086 -8.936 951 HB2 ARG 121 2HB ARG 121 -5.386 -12.291 -12.566 952 HB3 ARG 121 1HB ARG 121 -4.056 -13.386 -12.272 953 HG2 ARG 121 2HG ARG 121 -4.441 -13.170 -9.846 954 HG3 ARG 121 1HG ARG 121 -5.830 -12.136 -10.195 955 HD2 ARG 121 2HD ARG 121 -6.935 -13.931 -11.356 956 HD3 ARG 121 1HD ARG 121 -5.513 -14.959 -11.195 957 HH11 ARG 121 1HH1 ARG 121 -5.095 -16.428 -10.461 958 HH12 ARG 121 2HH1 ARG 121 -5.241 -17.579 -9.170 959 HH21 ARG 121 1HH2 ARG 121 -7.428 -15.624 -7.250 960 HH22 ARG 121 2HH2 ARG 121 -6.555 -17.132 -7.364 961 H SER 122 HN SER 122 -4.053 -10.388 -14.052 962 HA SER 122 HA SER 122 -2.089 -11.630 -15.594 963 HG SER 122 HG SER 122 -2.226 -10.966 -17.749 964 HB2 SER 122 2HB SER 122 -4.134 -10.384 -16.418 965 HB3 SER 122 1HB SER 122 -3.252 -8.886 -16.117 966 H ILE 123 HN ILE 123 -1.982 -8.710 -13.647 967 HA ILE 123 HA ILE 123 0.549 -7.832 -14.691 968 HB ILE 123 HB ILE 123 -0.968 -6.917 -12.239 969 HG12 ILE 123 2HG1 ILE 123 -0.777 -5.697 -15.005 970 HG13 ILE 123 1HG1 ILE 123 -2.173 -6.563 -14.374 971 HG21 ILE 123 1HG2 ILE 123 1.389 -6.383 -12.049 972 HG22 ILE 123 2HG2 ILE 123 0.460 -4.917 -12.358 973 HG23 ILE 123 3HG2 ILE 123 1.382 -5.668 -13.661 974 HD11 ILE 123 3HD1 ILE 123 -2.520 -4.173 -14.269 975 HD12 ILE 123 1HD1 ILE 123 -1.053 -3.983 -13.308 976 HD13 ILE 123 2HD1 ILE 123 -2.435 -4.854 -12.643 977 H VAL 124 HN VAL 124 -0.558 -9.616 -11.854 978 HA VAL 124 HA VAL 124 2.111 -9.605 -10.691 979 HB VAL 124 HB VAL 124 1.121 -10.836 -8.814 980 HG11 VAL 124 1HG1 VAL 124 -0.473 -8.408 -9.639 981 HG12 VAL 124 2HG1 VAL 124 1.077 -8.401 -8.798 982 HG13 VAL 124 3HG1 VAL 124 -0.356 -9.055 -8.003 983 HG21 VAL 124 3HG2 VAL 124 -0.550 -12.121 -10.065 984 HG22 VAL 124 1HG2 VAL 124 -1.470 -10.644 -10.352 985 HG23 VAL 124 2HG2 VAL 124 -1.277 -11.259 -8.709 986 H ASP 125 HN ASP 125 0.968 -11.218 -13.167 987 HA ASP 125 HA ASP 125 1.419 -13.944 -12.520 988 HB2 ASP 125 2HB ASP 125 0.092 -13.283 -14.474 989 HB3 ASP 125 1HB ASP 125 1.517 -12.557 -15.208 990 H THR 126 HN THR 126 3.469 -11.345 -13.651 991 HA THR 126 HA THR 126 5.781 -13.094 -13.202 992 HB THR 126 HB THR 126 5.658 -12.907 -15.589 993 HG1 THR 126 1HG THR 126 7.568 -11.006 -15.475 994 HG21 THR 126 3HG2 THR 126 5.654 -10.732 -16.753 995 HG22 THR 126 1HG2 THR 126 5.464 -9.917 -15.200 996 HG23 THR 126 2HG2 THR 126 4.191 -10.982 -15.798 997 HA PRO 127 HA PRO 127 6.896 -9.578 -10.642 998 HB2 PRO 127 2HB PRO 127 8.968 -10.742 -9.396 999 HB3 PRO 127 1HB PRO 127 7.298 -11.166 -9.008 1000 HG2 PRO 127 2HG PRO 127 9.287 -12.636 -10.683 1001 HG3 PRO 127 1HG PRO 127 8.090 -13.273 -9.542 1002 HD2 PRO 127 2HD PRO 127 7.769 -13.208 -12.289 1003 HD3 PRO 127 1HD PRO 127 6.441 -13.308 -11.118 1004 H ALA 128 HN ALA 128 8.737 -11.227 -13.028 1005 HA ALA 128 HA ALA 128 11.030 -9.454 -12.832 1006 HB1 ALA 128 1HB ALA 128 12.006 -10.837 -14.583 1007 HB2 ALA 128 2HB ALA 128 10.480 -11.706 -14.764 1008 HB3 ALA 128 3HB ALA 128 11.398 -11.836 -13.262 1009 H ALA 129 HN ALA 129 10.802 -7.506 -13.665 1010 HA ALA 129 HA ALA 129 10.015 -7.214 -16.435 1011 HB1 ALA 129 1HB ALA 129 8.550 -5.717 -14.263 1012 HB2 ALA 129 2HB ALA 129 7.876 -7.019 -15.242 1013 HB3 ALA 129 3HB ALA 129 8.344 -5.497 -16.000 1014 H GLN 130 HN GLN 130 9.934 -4.499 -16.638 1015 HA GLN 130 HA GLN 130 12.715 -3.876 -16.051 1016 HB2 GLN 130 2HB GLN 130 12.323 -1.951 -17.611 1017 HB3 GLN 130 1HB GLN 130 12.101 -3.544 -18.322 1018 HG2 GLN 130 2HG GLN 130 9.689 -3.312 -18.119 1019 HG3 GLN 130 1HG GLN 130 9.895 -1.733 -17.364 1020 HE21 GLN 130 1HE2 GLN 130 10.516 0.011 -18.612 1021 HE22 GLN 130 2HE2 GLN 130 10.459 -0.020 -20.345 1022 H GLU 131 HN GLU 131 10.261 -3.624 -14.150 1023 HA GLU 131 HA GLU 131 10.945 -0.913 -13.240 1024 HB2 GLU 131 2HB GLU 131 8.541 -1.230 -13.650 1025 HB3 GLU 131 1HB GLU 131 8.525 -2.586 -12.532 1026 HG2 GLU 131 2HG GLU 131 7.623 -0.600 -11.489 1027 HG3 GLU 131 1HG GLU 131 9.120 -1.088 -10.697 1028 H THR 132 HN THR 132 12.649 -1.134 -11.959 1029 HA THR 132 HA THR 132 12.538 -3.157 -9.832 1030 HB THR 132 HB THR 132 13.989 -3.985 -11.649 1031 HG1 THR 132 1HG THR 132 16.056 -3.764 -10.098 1032 HG21 THR 132 3HG2 THR 132 15.644 -1.523 -11.095 1033 HG22 THR 132 1HG2 THR 132 14.706 -1.828 -12.557 1034 HG23 THR 132 2HG2 THR 132 16.093 -2.848 -12.170 1035 H VAL 133 HN VAL 133 14.016 -2.689 -8.035 1036 HA VAL 133 HA VAL 133 14.604 0.183 -7.740 1037 HB VAL 133 HB VAL 133 13.505 -1.648 -5.583 1038 HG11 VAL 133 1HG1 VAL 133 14.180 1.290 -5.497 1039 HG12 VAL 133 2HG1 VAL 133 15.055 -0.004 -4.680 1040 HG13 VAL 133 3HG1 VAL 133 13.399 0.378 -4.208 1041 HG21 VAL 133 3HG2 VAL 133 11.513 -0.216 -5.658 1042 HG22 VAL 133 1HG2 VAL 133 11.789 -1.032 -7.196 1043 HG23 VAL 133 2HG2 VAL 133 12.208 0.671 -7.015 1044 H GLN 134 HN GLN 134 16.636 0.604 -7.077 1045 HA GLN 134 HA GLN 134 18.523 -1.504 -6.847 1046 HB2 GLN 134 2HB GLN 134 18.704 1.464 -6.376 1047 HB3 GLN 134 1HB GLN 134 20.064 0.399 -6.056 1048 HG2 GLN 134 2HG GLN 134 20.374 1.329 -8.211 1049 HG3 GLN 134 1HG GLN 134 19.934 -0.362 -8.425 1050 HE21 GLN 134 1HE2 GLN 134 19.217 -0.060 -10.513 1051 HE22 GLN 134 2HE2 GLN 134 17.749 0.787 -10.877 1052 H LEU 135 HN LEU 135 19.379 -2.484 -5.105 1053 HA LEU 135 HA LEU 135 17.808 -2.429 -2.731 1054 HG LEU 135 HG LEU 135 18.826 -5.942 -3.132 1055 HB2 LEU 135 2HB LEU 135 20.265 -3.948 -3.543 1056 HB3 LEU 135 1HB LEU 135 19.623 -4.056 -1.915 1057 HD11 LEU 135 1HD1 LEU 135 17.215 -4.940 -1.629 1058 HD12 LEU 135 2HD1 LEU 135 16.404 -5.636 -3.033 1059 HD13 LEU 135 3HD1 LEU 135 16.634 -3.891 -2.921 1060 HD21 LEU 135 3HD2 LEU 135 19.178 -5.086 -5.395 1061 HD22 LEU 135 1HD2 LEU 135 17.780 -4.027 -5.211 1062 HD23 LEU 135 2HD2 LEU 135 17.566 -5.778 -5.205 1063 H GLU 136 HN GLU 136 17.984 -0.547 -1.657 1064 HA GLU 136 HA GLU 136 20.629 0.365 -0.842 1065 HB2 GLU 136 2HB GLU 136 18.997 2.020 -1.704 1066 HB3 GLU 136 1HB GLU 136 17.917 1.619 -0.376 1067 HG2 GLU 136 2HG GLU 136 19.212 3.700 -0.030 1068 HG3 GLU 136 1HG GLU 136 19.448 2.491 1.233 1069 H HIS 137 HN HIS 137 21.390 0.167 1.173 1070 HA HIS 137 HA HIS 137 20.123 -1.663 2.961 1071 HD1 HIS 137 1HD HIS 137 23.338 0.086 5.730 1072 HD2 HIS 137 2HD HIS 137 21.188 -3.349 4.781 1073 HE1 HIS 137 1HE HIS 137 23.316 -1.307 7.830 1074 HE2 HIS 137 2HE HIS 137 22.000 -3.379 7.236 1075 HB2 HIS 137 2HB HIS 137 22.584 -1.481 2.723 1076 HB3 HIS 137 1HB HIS 137 22.518 0.135 3.413 1077 H HIS 138 HN HIS 138 20.210 1.754 2.568 1078 HA HIS 138 HA HIS 138 19.178 3.482 3.579 1079 HD1 HIS 138 1HD HIS 138 16.764 4.676 3.134 1080 HD2 HIS 138 2HD HIS 138 16.224 0.660 2.187 1081 HE1 HIS 138 1HE HIS 138 15.376 4.653 1.038 1082 HE2 HIS 138 2HE HIS 138 14.949 2.224 0.545 1083 HB2 HIS 138 2HB HIS 138 17.455 1.224 4.549 1084 HB3 HIS 138 1HB HIS 138 17.183 2.865 5.123 1085 H HIS 139 HN HIS 139 21.115 3.926 4.644 1086 HA HIS 139 HA HIS 139 22.220 4.736 6.452 1087 HD1 HIS 139 1HD HIS 139 17.845 4.827 7.290 1088 HD2 HIS 139 2HD HIS 139 21.158 7.343 7.215 1089 HE1 HIS 139 1HE HIS 139 16.969 7.081 6.601 1090 HE2 HIS 139 2HE HIS 139 18.955 8.627 6.778 1091 HB2 HIS 139 2HB HIS 139 19.896 3.693 8.090 1092 HB3 HIS 139 1HB HIS 139 21.173 4.755 8.677 1093 H HIS 140 HN HIS 140 23.891 3.963 7.638 1094 HA HIS 140 HA HIS 140 24.341 1.143 7.708 1095 HD1 HIS 140 1HD HIS 140 27.049 2.341 10.994 1096 HD2 HIS 140 2HD HIS 140 27.032 -0.102 7.628 1097 HE1 HIS 140 1HE HIS 140 28.525 0.384 11.568 1098 HE2 HIS 140 2HE HIS 140 28.304 -1.186 9.608 1099 HB2 HIS 140 2HB HIS 140 26.205 2.741 7.505 1100 HB3 HIS 140 1HB HIS 140 25.838 3.381 9.104 1101 H HIS 141 HN HIS 141 23.312 3.581 10.018 1102 HA HIS 141 HA HIS 141 22.765 1.447 11.962 1103 HD1 HIS 141 1HD HIS 141 21.675 3.300 15.197 1104 HD2 HIS 141 2HD HIS 141 25.278 1.938 13.630 1105 HE1 HIS 141 1HE HIS 141 22.836 2.115 17.091 1106 HE2 HIS 141 2HE HIS 141 24.902 1.108 16.052 1107 HB2 HIS 141 2HB HIS 141 23.723 4.062 12.307 1108 HB3 HIS 141 1HB HIS 141 22.055 4.104 12.874 1109 H HIS 142 HN HIS 142 20.914 0.499 11.433 1110 HA HIS 142 HA HIS 142 18.870 1.819 9.948 1111 HD1 HIS 142 1HD HIS 142 16.359 -1.472 11.463 1112 HD2 HIS 142 2HD HIS 142 17.327 0.446 7.899 1113 HE1 HIS 142 1HE HIS 142 14.267 -1.533 10.064 1114 HE2 HIS 142 2HE HIS 142 14.827 -0.231 7.974 1115 HB2 HIS 142 2HB HIS 142 19.403 -0.603 9.731 1116 HB3 HIS 142 1HB HIS 142 18.762 -0.862 11.350 Start of MODEL 19 1 HA MET 1 HA MET 1 4.804 20.816 18.503 2 H1 MET 1 1HT MET 1 6.141 21.593 16.665 3 H2 MET 1 2HT MET 1 6.988 21.680 18.127 4 H3 MET 1 3HT MET 1 6.366 23.090 17.429 5 HB2 MET 1 2HB MET 1 4.023 22.391 20.204 6 HB3 MET 1 1HB MET 1 5.766 22.195 20.272 7 HG2 MET 1 2HG MET 1 4.428 24.492 18.877 8 HG3 MET 1 1HG MET 1 4.886 24.529 20.579 9 HE1 MET 1 3HE MET 1 7.370 24.420 21.450 10 HE2 MET 1 1HE MET 1 8.776 24.218 20.402 11 HE3 MET 1 2HE MET 1 7.618 22.901 20.589 12 H ALA 2 HN ALA 2 4.898 23.633 16.482 13 HA ALA 2 HA ALA 2 2.030 23.856 16.263 14 HB1 ALA 2 1HB ALA 2 3.474 25.817 15.953 15 HB2 ALA 2 2HB ALA 2 2.494 25.496 14.522 16 HB3 ALA 2 3HB ALA 2 4.201 25.052 14.540 17 H ASN 3 HN ASN 3 0.784 22.621 15.033 18 HA ASN 3 HA ASN 3 1.985 21.236 12.730 19 HB2 ASN 3 2HB ASN 3 0.367 19.954 14.942 20 HB3 ASN 3 1HB ASN 3 0.642 19.188 13.383 21 HD21 ASN 3 1HD2 ASN 3 2.080 20.189 16.381 22 HD22 ASN 3 2HD2 ASN 3 3.537 19.270 16.217 23 H ASP 4 HN ASP 4 -0.993 21.981 14.483 24 HA ASP 4 HA ASP 4 -3.142 22.277 13.872 25 HB2 ASP 4 2HB ASP 4 -2.128 24.111 12.471 26 HB3 ASP 4 1HB ASP 4 -2.121 22.983 11.116 27 H THR 5 HN THR 5 -4.118 20.404 13.969 28 HA THR 5 HA THR 5 -5.175 18.495 13.323 29 HB THR 5 HB THR 5 -4.348 19.029 10.468 30 HG1 THR 5 1HG THR 5 -5.261 20.952 11.219 31 HG21 THR 5 3HG2 THR 5 -6.480 17.942 9.955 32 HG22 THR 5 1HG2 THR 5 -6.806 17.752 11.679 33 HG23 THR 5 2HG2 THR 5 -5.460 16.888 10.936 34 HA PRO 6 HA PRO 6 -0.923 16.551 13.092 35 HB2 PRO 6 2HB PRO 6 -1.585 15.382 15.685 36 HB3 PRO 6 1HB PRO 6 -0.218 16.402 15.239 37 HG2 PRO 6 2HG PRO 6 -2.211 17.269 16.848 38 HG3 PRO 6 1HG PRO 6 -1.324 18.349 15.754 39 HD2 PRO 6 2HD PRO 6 -4.024 17.093 15.403 40 HD3 PRO 6 1HD PRO 6 -3.496 18.749 15.031 41 H PHE 7 HN PHE 7 -3.979 15.193 14.265 42 HA PHE 7 HA PHE 7 -3.541 12.856 12.589 43 HD1 PHE 7 1HD PHE 7 -6.084 12.137 15.946 44 HD2 PHE 7 2HD PHE 7 -2.085 13.529 16.374 45 HE1 PHE 7 1HE PHE 7 -6.620 12.983 18.192 46 HE2 PHE 7 2HE PHE 7 -2.617 14.381 18.619 47 HZ PHE 7 HZ PHE 7 -4.889 14.107 19.532 48 HB2 PHE 7 2HB PHE 7 -4.282 11.346 14.485 49 HB3 PHE 7 1HB PHE 7 -2.660 12.010 14.624 50 H SER 8 HN SER 8 -5.533 11.536 12.368 51 HA SER 8 HA SER 8 -7.928 13.223 12.664 52 HG SER 8 HG SER 8 -6.552 13.980 10.881 53 HB2 SER 8 2HB SER 8 -7.301 11.419 10.317 54 HB3 SER 8 1HB SER 8 -8.677 12.514 10.475 55 H ALA 9 HN ALA 9 -9.960 12.067 12.694 56 HA ALA 9 HA ALA 9 -9.924 9.910 14.508 57 HB1 ALA 9 1HB ALA 9 -12.348 9.867 14.223 58 HB2 ALA 9 2HB ALA 9 -12.206 10.923 12.816 59 HB3 ALA 9 3HB ALA 9 -11.755 11.518 14.416 60 H LEU 10 HN LEU 10 -10.938 9.986 11.072 61 HA LEU 10 HA LEU 10 -11.445 7.236 10.885 62 HG LEU 10 HG LEU 10 -10.352 10.315 9.136 63 HB2 LEU 10 2HB LEU 10 -11.285 7.548 8.426 64 HB3 LEU 10 1HB LEU 10 -12.360 8.671 9.226 65 HD11 LEU 10 1HD1 LEU 10 -8.652 8.730 8.432 66 HD12 LEU 10 2HD1 LEU 10 -8.882 9.977 7.207 67 HD13 LEU 10 3HD1 LEU 10 -9.567 8.369 6.970 68 HD21 LEU 10 3HD2 LEU 10 -11.052 11.062 6.917 69 HD22 LEU 10 1HD2 LEU 10 -12.436 10.591 7.904 70 HD23 LEU 10 2HD2 LEU 10 -11.845 9.510 6.642 71 H TRP 11 HN TRP 11 -8.497 9.009 10.742 72 HA TRP 11 HA TRP 11 -6.885 7.062 9.484 73 HD1 TRP 11 1HD TRP 11 -4.048 9.333 12.504 74 HE1 TRP 11 1HE TRP 11 -1.762 8.230 12.125 75 HE3 TRP 11 3HE TRP 11 -5.051 6.852 8.144 76 HZ2 TRP 11 2HZ TRP 11 -0.534 6.526 10.233 77 HZ3 TRP 11 3HZ TRP 11 -3.266 5.503 7.117 78 HH2 TRP 11 2HH TRP 11 -1.054 5.347 8.143 79 HB2 TRP 11 2HB TRP 11 -6.079 9.295 9.561 80 HB3 TRP 11 1HB TRP 11 -6.276 9.388 11.306 81 H GLN 12 HN GLN 12 -7.291 7.885 12.935 82 HA GLN 12 HA GLN 12 -5.774 5.779 13.946 83 HB2 GLN 12 2HB GLN 12 -8.015 7.399 15.111 84 HB3 GLN 12 1HB GLN 12 -7.198 6.147 16.025 85 HG2 GLN 12 2HG GLN 12 -5.067 7.292 15.670 86 HG3 GLN 12 1HG GLN 12 -5.923 8.581 14.822 87 HE21 GLN 12 1HE2 GLN 12 -5.226 7.126 17.880 88 HE22 GLN 12 2HE2 GLN 12 -5.914 8.370 18.869 89 H ARG 13 HN ARG 13 -9.076 5.851 12.798 90 HA ARG 13 HA ARG 13 -9.992 3.443 13.908 91 HE ARG 13 HE ARG 13 -14.047 6.085 13.950 92 HB2 ARG 13 2HB ARG 13 -10.626 4.542 11.160 93 HB3 ARG 13 1HB ARG 13 -11.555 3.329 12.025 94 HG2 ARG 13 2HG ARG 13 -11.181 6.197 12.855 95 HG3 ARG 13 1HG ARG 13 -12.624 5.506 12.116 96 HD2 ARG 13 2HD ARG 13 -12.726 3.932 14.096 97 HD3 ARG 13 1HD ARG 13 -11.480 4.937 14.842 98 HH11 ARG 13 1HH1 ARG 13 -11.663 5.523 16.479 99 HH12 ARG 13 2HH1 ARG 13 -12.440 6.611 17.598 100 HH21 ARG 13 1HH2 ARG 13 -15.055 7.467 15.439 101 HH22 ARG 13 2HH2 ARG 13 -14.360 7.698 17.016 102 H LEU 14 HN LEU 14 -8.161 4.106 10.959 103 HA LEU 14 HA LEU 14 -8.056 1.447 10.016 104 HG LEU 14 HG LEU 14 -8.273 4.456 8.838 105 HB2 LEU 14 2HB LEU 14 -6.073 3.674 9.532 106 HB3 LEU 14 1HB LEU 14 -6.259 2.226 8.564 107 HD11 LEU 14 1HD1 LEU 14 -6.298 4.982 7.463 108 HD12 LEU 14 2HD1 LEU 14 -7.784 4.908 6.519 109 HD13 LEU 14 3HD1 LEU 14 -6.640 3.568 6.465 110 HD21 LEU 14 3HD2 LEU 14 -9.371 2.282 8.626 111 HD22 LEU 14 1HD2 LEU 14 -8.403 1.928 7.196 112 HD23 LEU 14 2HD2 LEU 14 -9.574 3.249 7.166 113 H LEU 15 HN LEU 15 -5.780 3.388 11.920 114 HA LEU 15 HA LEU 15 -3.753 1.479 12.202 115 HG LEU 15 HG LEU 15 -4.060 4.645 12.024 116 HB2 LEU 15 2HB LEU 15 -4.591 3.605 14.177 117 HB3 LEU 15 1HB LEU 15 -3.049 2.771 14.163 118 HD11 LEU 15 1HD1 LEU 15 -3.444 5.794 14.076 119 HD12 LEU 15 2HD1 LEU 15 -2.265 6.112 12.804 120 HD13 LEU 15 3HD1 LEU 15 -1.888 4.965 14.090 121 HD21 LEU 15 3HD2 LEU 15 -1.857 4.408 11.031 122 HD22 LEU 15 1HD2 LEU 15 -2.664 2.843 11.116 123 HD23 LEU 15 2HD2 LEU 15 -1.398 3.247 12.277 124 H THR 16 HN THR 16 -6.653 2.079 14.088 125 HA THR 16 HA THR 16 -6.101 0.240 16.163 126 HB THR 16 HB THR 16 -8.733 1.385 15.199 127 HG1 THR 16 1HG THR 16 -7.466 3.036 15.914 128 HG21 THR 16 3HG2 THR 16 -9.593 0.821 17.429 129 HG22 THR 16 1HG2 THR 16 -8.066 0.029 17.817 130 HG23 THR 16 2HG2 THR 16 -9.101 -0.627 16.550 131 H ARG 17 HN ARG 17 -7.447 -0.093 12.964 132 HA ARG 17 HA ARG 17 -8.491 -2.737 13.384 133 HE ARG 17 HE ARG 17 -6.663 -2.960 9.197 134 HB2 ARG 17 2HB ARG 17 -9.245 -1.093 11.581 135 HB3 ARG 17 1HB ARG 17 -7.760 -1.499 10.729 136 HG2 ARG 17 2HG ARG 17 -8.964 -3.941 11.407 137 HG3 ARG 17 1HG ARG 17 -10.253 -2.900 10.804 138 HD2 ARG 17 2HD ARG 17 -9.310 -4.136 8.968 139 HD3 ARG 17 1HD ARG 17 -8.885 -2.435 8.797 140 HH11 ARG 17 1HH1 ARG 17 -8.680 -5.787 9.648 141 HH12 ARG 17 2HH1 ARG 17 -7.352 -6.907 9.577 142 HH21 ARG 17 1HH2 ARG 17 -4.904 -4.440 9.115 143 HH22 ARG 17 2HH2 ARG 17 -5.207 -6.139 9.315 144 H GLY 18 HN GLY 18 -5.559 -1.337 11.955 145 HA2 GLY 18 2HA GLY 18 -3.646 -3.001 12.734 146 HA3 GLY 18 1HA GLY 18 -4.430 -3.990 11.510 147 H TRP 19 HN TRP 19 -2.667 -4.019 10.165 148 HA TRP 19 HA TRP 19 -1.419 -3.409 8.388 149 HD1 TRP 19 1HD TRP 19 -2.725 -4.519 7.084 150 HE1 TRP 19 1HE TRP 19 -4.854 -5.199 5.797 151 HE3 TRP 19 3HE TRP 19 -5.153 -0.035 7.149 152 HZ2 TRP 19 2HZ TRP 19 -7.243 -3.975 4.927 153 HZ3 TRP 19 3HZ TRP 19 -7.356 0.138 6.056 154 HH2 TRP 19 2HH TRP 19 -8.371 -1.797 4.962 155 HB2 TRP 19 2HB TRP 19 -3.179 -0.959 8.417 156 HB3 TRP 19 1HB TRP 19 -1.990 -1.308 7.165 157 H GLN 20 HN GLN 20 0.381 -2.124 7.757 158 HA GLN 20 HA GLN 20 1.675 -0.944 10.073 159 HB2 GLN 20 2HB GLN 20 2.599 -2.027 7.439 160 HB3 GLN 20 1HB GLN 20 3.634 -0.934 8.332 161 HG2 GLN 20 2HG GLN 20 4.310 -3.134 8.858 162 HG3 GLN 20 1HG GLN 20 3.483 -2.493 10.273 163 HE21 GLN 20 1HE2 GLN 20 1.530 -3.382 10.909 164 HE22 GLN 20 2HE2 GLN 20 0.934 -4.876 10.257 165 HA PRO 21 HA PRO 21 1.012 3.131 8.290 166 HB2 PRO 21 2HB PRO 21 2.320 4.231 10.607 167 HB3 PRO 21 1HB PRO 21 0.600 4.251 10.214 168 HG2 PRO 21 2HG PRO 21 1.699 2.834 12.304 169 HG3 PRO 21 1HG PRO 21 0.159 2.440 11.524 170 HD2 PRO 21 2HD PRO 21 2.855 1.201 11.143 171 HD3 PRO 21 1HD PRO 21 1.252 0.434 11.174 172 H VAL 22 HN VAL 22 2.410 3.604 6.674 173 HA VAL 22 HA VAL 22 5.285 3.562 7.294 174 HB VAL 22 HB VAL 22 5.651 3.393 4.841 175 HG11 VAL 22 1HG1 VAL 22 4.948 1.043 4.650 176 HG12 VAL 22 2HG1 VAL 22 3.932 1.246 6.078 177 HG13 VAL 22 3HG1 VAL 22 5.685 1.401 6.211 178 HG21 VAL 22 3HG2 VAL 22 2.654 3.047 4.731 179 HG22 VAL 22 1HG2 VAL 22 3.771 2.777 3.394 180 HG23 VAL 22 2HG2 VAL 22 3.572 4.396 4.063 181 H GLU 23 HN GLU 23 6.649 5.154 6.328 182 HA GLU 23 HA GLU 23 5.332 7.776 6.139 183 HB2 GLU 23 2HB GLU 23 8.249 7.167 6.655 184 HB3 GLU 23 1HB GLU 23 7.469 8.736 6.768 185 HG2 GLU 23 2HG GLU 23 6.249 8.057 8.712 186 HG3 GLU 23 1HG GLU 23 6.819 6.395 8.542 187 H ALA 24 HN ALA 24 6.892 9.326 4.776 188 HA ALA 24 HA ALA 24 7.119 8.184 2.142 189 HB1 ALA 24 1HB ALA 24 6.393 10.507 2.462 190 HB2 ALA 24 2HB ALA 24 7.843 10.411 1.461 191 HB3 ALA 24 3HB ALA 24 7.969 10.899 3.151 192 H SER 25 HN SER 25 9.040 8.219 4.856 193 HA SER 25 HA SER 25 11.567 8.200 3.385 194 HG SER 25 HG SER 25 13.139 8.035 6.545 195 HB2 SER 25 2HB SER 25 11.389 9.639 5.401 196 HB3 SER 25 1HB SER 25 11.065 8.206 6.375 197 H THR 26 HN THR 26 9.974 6.270 5.937 198 HA THR 26 HA THR 26 11.847 4.116 5.540 199 HB THR 26 HB THR 26 11.006 4.796 7.794 200 HG1 THR 26 1HG THR 26 11.852 2.791 7.820 201 HG21 THR 26 3HG2 THR 26 8.671 5.209 7.222 202 HG22 THR 26 1HG2 THR 26 8.797 4.015 8.512 203 HG23 THR 26 2HG2 THR 26 8.442 3.497 6.863 204 H VAL 27 HN VAL 27 9.395 4.953 3.656 205 HA VAL 27 HA VAL 27 7.660 2.737 3.660 206 HB VAL 27 HB VAL 27 6.949 4.816 2.676 207 HG11 VAL 27 1HG1 VAL 27 9.037 4.352 0.550 208 HG12 VAL 27 2HG1 VAL 27 9.059 5.616 1.779 209 HG13 VAL 27 3HG1 VAL 27 7.815 5.620 0.531 210 HG21 VAL 27 3HG2 VAL 27 5.865 2.811 1.867 211 HG22 VAL 27 1HG2 VAL 27 7.109 2.600 0.635 212 HG23 VAL 27 2HG2 VAL 27 6.010 3.977 0.553 213 H ASP 28 HN ASP 28 10.437 3.457 1.496 214 HA ASP 28 HA ASP 28 10.147 0.946 0.150 215 HB2 ASP 28 2HB ASP 28 12.363 1.520 -0.890 216 HB3 ASP 28 1HB ASP 28 11.089 2.707 -1.138 217 H ASP 29 HN ASP 29 11.670 1.936 3.036 218 HA ASP 29 HA ASP 29 13.558 -0.214 3.188 219 HB2 ASP 29 2HB ASP 29 13.832 1.861 4.502 220 HB3 ASP 29 1HB ASP 29 12.373 1.471 5.407 221 H TRP 30 HN TRP 30 10.283 0.379 4.293 222 HA TRP 30 HA TRP 30 9.887 -2.084 5.620 223 HD1 TRP 30 1HD TRP 30 7.404 -2.326 7.432 224 HE1 TRP 30 1HE TRP 30 5.270 -3.724 7.100 225 HE3 TRP 30 3HE TRP 30 6.404 -1.145 2.558 226 HZ2 TRP 30 2HZ TRP 30 3.406 -4.258 5.041 227 HZ3 TRP 30 3HZ TRP 30 4.427 -2.138 1.482 228 HH2 TRP 30 2HH TRP 30 2.959 -3.664 2.700 229 HB2 TRP 30 2HB TRP 30 8.369 -0.223 5.979 230 HB3 TRP 30 1HB TRP 30 7.943 -0.190 4.273 231 H ILE 31 HN ILE 31 9.230 -0.990 2.317 232 HA ILE 31 HA ILE 31 8.033 -3.301 1.319 233 HB ILE 31 HB ILE 31 9.712 -1.255 -0.130 234 HG12 ILE 31 2HG1 ILE 31 6.709 -1.523 0.105 235 HG13 ILE 31 1HG1 ILE 31 7.685 -0.411 1.058 236 HG21 ILE 31 1HG2 ILE 31 8.597 -2.030 -2.169 237 HG22 ILE 31 2HG2 ILE 31 7.810 -3.313 -1.249 238 HG23 ILE 31 3HG2 ILE 31 9.565 -3.308 -1.431 239 HD11 ILE 31 3HD1 ILE 31 8.362 0.744 -0.970 240 HD12 ILE 31 1HD1 ILE 31 6.606 0.705 -0.810 241 HD13 ILE 31 2HD1 ILE 31 7.413 -0.386 -1.935 242 H LYS 32 HN LYS 32 11.480 -2.402 1.396 243 HA LYS 32 HA LYS 32 12.370 -4.557 -0.178 244 HB2 LYS 32 2HB LYS 32 14.596 -4.020 0.546 245 HB3 LYS 32 1HB LYS 32 13.720 -2.518 0.318 246 HG2 LYS 32 2HG LYS 32 14.830 -2.094 2.274 247 HG3 LYS 32 1HG LYS 32 13.303 -2.712 2.891 248 HD2 LYS 32 2HD LYS 32 14.369 -4.969 3.052 249 HD3 LYS 32 1HD LYS 32 15.899 -4.208 2.629 250 HE2 LYS 32 2HE LYS 32 14.209 -3.455 5.004 251 HE3 LYS 32 1HE LYS 32 15.583 -4.554 5.069 252 HZ1 LYS 32 3HZ LYS 32 15.634 -1.667 4.384 253 HZ2 LYS 32 1HZ LYS 32 16.969 -2.700 4.213 254 HZ3 LYS 32 2HZ LYS 32 16.308 -2.410 5.744 255 H ARG 33 HN ARG 33 11.460 -4.358 3.145 256 HA ARG 33 HA ARG 33 12.861 -6.748 3.952 257 HE ARG 33 HE ARG 33 11.960 -7.635 8.956 258 HB2 ARG 33 2HB ARG 33 12.335 -4.756 5.436 259 HB3 ARG 33 1HB ARG 33 10.671 -5.309 5.442 260 HG2 ARG 33 2HG ARG 33 11.317 -7.384 6.484 261 HG3 ARG 33 1HG ARG 33 13.020 -6.931 6.395 262 HD2 ARG 33 2HD ARG 33 12.524 -4.973 7.829 263 HD3 ARG 33 1HD ARG 33 10.865 -5.551 7.988 264 HH11 ARG 33 1HH1 ARG 33 13.345 -4.427 9.208 265 HH12 ARG 33 2HH1 ARG 33 14.191 -4.769 10.687 266 HH21 ARG 33 1HH2 ARG 33 13.061 -8.088 10.912 267 HH22 ARG 33 2HH2 ARG 33 14.011 -6.844 11.668 268 H VAL 34 HN VAL 34 9.511 -5.797 3.351 269 HA VAL 34 HA VAL 34 8.513 -8.429 3.939 270 HB VAL 34 HB VAL 34 6.319 -7.571 3.240 271 HG11 VAL 34 1HG1 VAL 34 7.858 -5.718 5.055 272 HG12 VAL 34 2HG1 VAL 34 7.054 -7.217 5.522 273 HG13 VAL 34 3HG1 VAL 34 6.101 -5.840 4.971 274 HG21 VAL 34 3HG2 VAL 34 7.803 -5.030 2.571 275 HG22 VAL 34 1HG2 VAL 34 6.050 -5.213 2.613 276 HG23 VAL 34 2HG2 VAL 34 7.003 -6.100 1.423 277 H GLY 35 HN GLY 35 9.103 -6.561 1.001 278 HA2 GLY 35 2HA GLY 35 9.723 -7.404 -1.072 279 HA3 GLY 35 1HA GLY 35 9.345 -9.023 -0.501 280 H ASP 36 HN ASP 36 6.859 -9.044 0.179 281 HA ASP 36 HA ASP 36 5.409 -8.243 -2.251 282 HB2 ASP 36 2HB ASP 36 4.835 -10.588 -0.423 283 HB3 ASP 36 1HB ASP 36 4.010 -10.207 -1.923 284 H GLY 37 HN GLY 37 4.163 -6.525 -1.779 285 HA2 GLY 37 2HA GLY 37 2.346 -6.664 0.448 286 HA3 GLY 37 1HA GLY 37 3.626 -5.483 0.673 287 H VAL 38 HN VAL 38 1.066 -4.663 0.695 288 HA VAL 38 HA VAL 38 0.927 -3.115 -1.791 289 HB VAL 38 HB VAL 38 -1.602 -3.177 -1.596 290 HG11 VAL 38 1HG1 VAL 38 -0.194 -5.765 -2.245 291 HG12 VAL 38 2HG1 VAL 38 -0.377 -4.388 -3.331 292 HG13 VAL 38 3HG1 VAL 38 -1.798 -5.288 -2.804 293 HG21 VAL 38 3HG2 VAL 38 -1.003 -5.570 0.147 294 HG22 VAL 38 1HG2 VAL 38 -2.592 -5.103 -0.460 295 HG23 VAL 38 2HG2 VAL 38 -1.744 -4.062 0.684 296 H ILE 39 HN ILE 39 0.819 -1.009 -1.460 297 HA ILE 39 HA ILE 39 0.357 -0.064 1.271 298 HB ILE 39 HB ILE 39 1.507 1.374 -1.132 299 HG12 ILE 39 2HG1 ILE 39 3.509 1.521 0.529 300 HG13 ILE 39 1HG1 ILE 39 2.711 0.188 1.355 301 HG21 ILE 39 1HG2 ILE 39 1.973 3.237 0.400 302 HG22 ILE 39 2HG2 ILE 39 1.077 2.402 1.669 303 HG23 ILE 39 3HG2 ILE 39 0.245 2.943 0.211 304 HD11 ILE 39 3HD1 ILE 39 2.845 -1.146 -0.687 305 HD12 ILE 39 1HD1 ILE 39 4.436 -0.618 -0.138 306 HD13 ILE 39 2HD1 ILE 39 3.660 0.191 -1.500 307 H LEU 40 HN LEU 40 -1.651 0.522 1.757 308 HA LEU 40 HA LEU 40 -3.507 1.412 -0.280 309 HG LEU 40 HG LEU 40 -3.862 -1.045 1.718 310 HB2 LEU 40 2HB LEU 40 -3.763 1.154 2.721 311 HB3 LEU 40 1HB LEU 40 -5.052 1.731 1.685 312 HD11 LEU 40 1HD1 LEU 40 -5.386 -0.567 3.548 313 HD12 LEU 40 2HD1 LEU 40 -6.104 -1.705 2.407 314 HD13 LEU 40 3HD1 LEU 40 -6.606 -0.013 2.402 315 HD21 LEU 40 3HD2 LEU 40 -5.981 0.122 -0.085 316 HD22 LEU 40 1HD2 LEU 40 -5.549 -1.587 0.018 317 HD23 LEU 40 2HD2 LEU 40 -4.371 -0.414 -0.573 318 H LEU 41 HN LEU 41 -3.468 3.473 -0.971 319 HA LEU 41 HA LEU 41 -2.291 5.583 0.521 320 HG LEU 41 HG LEU 41 -1.969 4.785 -2.438 321 HB2 LEU 41 2HB LEU 41 -4.186 5.632 -1.830 322 HB3 LEU 41 1HB LEU 41 -3.458 7.070 -1.142 323 HD11 LEU 41 1HD1 LEU 41 -1.440 6.413 -4.173 324 HD12 LEU 41 2HD1 LEU 41 -2.423 7.622 -3.347 325 HD13 LEU 41 3HD1 LEU 41 -3.184 6.184 -4.028 326 HD21 LEU 41 3HD2 LEU 41 0.010 6.213 -2.188 327 HD22 LEU 41 1HD2 LEU 41 -0.670 5.754 -0.626 328 HD23 LEU 41 2HD2 LEU 41 -0.950 7.372 -1.269 329 H SER 42 HN SER 42 -3.554 7.552 1.172 330 HA SER 42 HA SER 42 -5.214 6.907 3.291 331 HG SER 42 HG SER 42 -6.600 8.893 3.780 332 HB2 SER 42 2HB SER 42 -3.944 8.999 3.152 333 HB3 SER 42 1HB SER 42 -4.984 9.553 1.842 334 H SER 43 HN SER 43 -6.023 7.378 -0.034 335 HA SER 43 HA SER 43 -7.953 7.181 -1.210 336 HG SER 43 HG SER 43 -7.132 4.797 0.641 337 HB2 SER 43 2HB SER 43 -8.986 5.857 1.313 338 HB3 SER 43 1HB SER 43 -9.661 5.686 -0.309 339 H ASP 44 HN ASP 44 -7.474 9.563 0.255 340 HA ASP 44 HA ASP 44 -9.577 10.657 1.663 341 HB2 ASP 44 2HB ASP 44 -7.348 11.713 1.284 342 HB3 ASP 44 1HB ASP 44 -7.833 12.073 -0.368 343 HA PRO 45 HA PRO 45 -12.707 10.717 -1.477 344 HB2 PRO 45 2HB PRO 45 -14.528 12.019 0.270 345 HB3 PRO 45 1HB PRO 45 -14.405 10.292 -0.064 346 HG2 PRO 45 2HG PRO 45 -13.819 11.541 2.365 347 HG3 PRO 45 1HG PRO 45 -13.361 9.896 1.902 348 HD2 PRO 45 2HD PRO 45 -11.738 12.383 1.924 349 HD3 PRO 45 1HD PRO 45 -11.236 10.700 2.190 350 H ARG 46 HN ARG 46 -11.075 12.556 -2.264 351 HA ARG 46 HA ARG 46 -11.868 15.244 -2.049 352 HE ARG 46 HE ARG 46 -9.078 15.046 -0.195 353 HB2 ARG 46 2HB ARG 46 -10.494 13.789 -4.319 354 HB3 ARG 46 1HB ARG 46 -10.675 15.536 -4.240 355 HG2 ARG 46 2HG ARG 46 -9.252 13.896 -2.158 356 HG3 ARG 46 1HG ARG 46 -8.453 14.682 -3.520 357 HD2 ARG 46 2HD ARG 46 -8.581 16.721 -2.572 358 HD3 ARG 46 1HD ARG 46 -10.211 16.438 -1.959 359 HH11 ARG 46 1HH1 ARG 46 -7.417 17.743 -1.736 360 HH12 ARG 46 2HH1 ARG 46 -6.379 18.026 -0.371 361 HH21 ARG 46 1HH2 ARG 46 -7.724 15.417 1.571 362 HH22 ARG 46 2HH2 ARG 46 -6.551 16.706 1.509 363 H ARG 47 HN ARG 47 -12.667 12.789 -4.491 364 HA ARG 47 HA ARG 47 -14.972 14.417 -5.287 365 HE ARG 47 HE ARG 47 -12.275 9.564 -7.525 366 HB2 ARG 47 2HB ARG 47 -15.097 12.933 -7.268 367 HB3 ARG 47 1HB ARG 47 -13.568 13.791 -7.155 368 HG2 ARG 47 2HG ARG 47 -12.493 11.792 -6.285 369 HG3 ARG 47 1HG ARG 47 -14.031 10.929 -6.349 370 HD2 ARG 47 2HD ARG 47 -14.105 11.214 -8.766 371 HD3 ARG 47 1HD ARG 47 -12.593 12.119 -8.717 372 HH11 ARG 47 1HH1 ARG 47 -12.664 11.084 -10.661 373 HH12 ARG 47 2HH1 ARG 47 -11.710 9.889 -11.500 374 HH21 ARG 47 1HH2 ARG 47 -11.044 7.992 -8.619 375 HH22 ARG 47 2HH2 ARG 47 -10.769 8.134 -10.331 376 H THR 48 HN THR 48 -16.987 13.765 -4.912 377 HA THR 48 HA THR 48 -18.716 12.674 -3.936 378 HB THR 48 HB THR 48 -17.245 10.167 -4.770 379 HG1 THR 48 1HG THR 48 -18.793 12.070 -6.164 380 HG21 THR 48 3HG2 THR 48 -19.450 9.144 -4.843 381 HG22 THR 48 1HG2 THR 48 -20.200 10.663 -4.353 382 HG23 THR 48 2HG2 THR 48 -19.153 9.794 -3.230 383 HA PRO 49 HA PRO 49 -16.503 11.747 -0.002 384 HB2 PRO 49 2HB PRO 49 -17.597 14.088 1.190 385 HB3 PRO 49 1HB PRO 49 -15.928 13.828 0.683 386 HG2 PRO 49 2HG PRO 49 -17.691 15.645 -0.464 387 HG3 PRO 49 1HG PRO 49 -16.206 15.038 -1.218 388 HD2 PRO 49 2HD PRO 49 -19.039 14.172 -1.633 389 HD3 PRO 49 1HD PRO 49 -17.720 14.330 -2.814 390 H GLU 50 HN GLU 50 -18.715 10.388 -0.715 391 HA GLU 50 HA GLU 50 -20.885 11.016 1.121 392 HB2 GLU 50 2HB GLU 50 -20.573 8.859 -0.974 393 HB3 GLU 50 1HB GLU 50 -22.007 9.072 0.020 394 HG2 GLU 50 2HG GLU 50 -20.910 11.176 -1.822 395 HG3 GLU 50 1HG GLU 50 -22.174 10.030 -2.266 396 H VAL 51 HN VAL 51 -18.992 8.081 0.354 397 HA VAL 51 HA VAL 51 -19.764 6.856 2.844 398 HB VAL 51 HB VAL 51 -17.699 5.929 0.837 399 HG11 VAL 51 1HG1 VAL 51 -17.459 4.839 3.002 400 HG12 VAL 51 2HG1 VAL 51 -18.087 3.705 1.807 401 HG13 VAL 51 3HG1 VAL 51 -19.172 4.421 2.999 402 HG21 VAL 51 3HG2 VAL 51 -19.864 6.205 -0.229 403 HG22 VAL 51 1HG2 VAL 51 -20.633 5.255 1.042 404 HG23 VAL 51 2HG2 VAL 51 -19.479 4.493 -0.054 405 H SER 52 HN SER 52 -17.126 8.712 1.646 406 HA SER 52 HA SER 52 -15.385 9.738 2.657 407 HG SER 52 HG SER 52 -14.596 9.044 5.840 408 HB2 SER 52 2HB SER 52 -16.788 10.239 4.561 409 HB3 SER 52 1HB SER 52 -16.603 8.604 5.191 410 H ASP 53 HN ASP 53 -15.542 6.900 4.793 411 HA ASP 53 HA ASP 53 -12.994 6.022 3.642 412 HB2 ASP 53 2HB ASP 53 -12.217 5.513 5.983 413 HB3 ASP 53 1HB ASP 53 -12.345 7.224 5.600 414 H ASN 54 HN ASN 54 -13.268 4.076 2.866 415 HA ASN 54 HA ASN 54 -14.220 1.978 4.622 416 HB2 ASN 54 2HB ASN 54 -16.293 2.764 3.475 417 HB3 ASN 54 1HB ASN 54 -15.546 2.380 1.929 418 HD21 ASN 54 1HD2 ASN 54 -15.320 0.240 1.313 419 HD22 ASN 54 2HD2 ASN 54 -16.142 -1.049 2.124 420 HA PRO 55 HA PRO 55 -10.943 0.486 1.789 421 HB2 PRO 55 2HB PRO 55 -8.873 0.457 3.503 422 HB3 PRO 55 1HB PRO 55 -9.372 1.933 2.672 423 HG2 PRO 55 2HG PRO 55 -9.668 1.187 5.500 424 HG3 PRO 55 1HG PRO 55 -9.685 2.791 4.752 425 HD2 PRO 55 2HD PRO 55 -11.927 1.155 5.557 426 HD3 PRO 55 1HD PRO 55 -11.942 2.800 4.894 427 H VAL 56 HN VAL 56 -12.807 -0.719 4.037 428 HA VAL 56 HA VAL 56 -11.305 -3.103 4.720 429 HB VAL 56 HB VAL 56 -13.371 -3.834 5.865 430 HG11 VAL 56 1HG1 VAL 56 -11.740 -2.486 7.070 431 HG12 VAL 56 2HG1 VAL 56 -13.377 -2.115 7.609 432 HG13 VAL 56 3HG1 VAL 56 -12.535 -1.011 6.522 433 HG21 VAL 56 3HG2 VAL 56 -15.278 -2.292 6.046 434 HG22 VAL 56 1HG2 VAL 56 -15.016 -2.819 4.383 435 HG23 VAL 56 2HG2 VAL 56 -14.502 -1.211 4.888 436 H MET 57 HN MET 57 -12.408 -5.248 4.317 437 HA MET 57 HA MET 57 -13.208 -6.843 2.913 438 HB2 MET 57 2HB MET 57 -14.586 -4.508 1.596 439 HB3 MET 57 1HB MET 57 -14.748 -6.159 1.015 440 HG2 MET 57 2HG MET 57 -15.490 -5.209 3.771 441 HG3 MET 57 1HG MET 57 -16.617 -5.454 2.438 442 HE1 MET 57 3HE MET 57 -17.006 -6.800 5.289 443 HE2 MET 57 1HE MET 57 -17.478 -8.433 4.816 444 HE3 MET 57 2HE MET 57 -18.105 -7.041 3.931 445 H ILE 58 HN ILE 58 -11.072 -4.462 2.017 446 HA ILE 58 HA ILE 58 -10.516 -5.411 -0.649 447 HB ILE 58 HB ILE 58 -10.009 -3.071 0.232 448 HG12 ILE 58 2HG1 ILE 58 -7.795 -2.935 -0.994 449 HG13 ILE 58 1HG1 ILE 58 -7.852 -4.687 -1.139 450 HG21 ILE 58 1HG2 ILE 58 -7.668 -4.493 1.491 451 HG22 ILE 58 2HG2 ILE 58 -8.992 -3.702 2.344 452 HG23 ILE 58 3HG2 ILE 58 -7.872 -2.745 1.375 453 HD11 ILE 58 3HD1 ILE 58 -9.846 -2.744 -2.281 454 HD12 ILE 58 1HD1 ILE 58 -9.935 -4.501 -2.412 455 HD13 ILE 58 2HD1 ILE 58 -8.607 -3.623 -3.176 456 H ALA 59 HN ALA 59 -9.866 -6.486 2.478 457 HA ALA 59 HA ALA 59 -7.215 -7.434 2.194 458 HB1 ALA 59 1HB ALA 59 -8.238 -6.924 4.364 459 HB2 ALA 59 2HB ALA 59 -7.576 -8.557 4.304 460 HB3 ALA 59 3HB ALA 59 -9.316 -8.309 4.169 461 H GLU 60 HN GLU 60 -10.309 -8.840 1.376 462 HA GLU 60 HA GLU 60 -9.395 -11.541 1.408 463 HB2 GLU 60 2HB GLU 60 -11.513 -11.968 0.049 464 HB3 GLU 60 1HB GLU 60 -11.696 -11.370 1.691 465 HG2 GLU 60 2HG GLU 60 -13.245 -10.192 0.431 466 HG3 GLU 60 1HG GLU 60 -11.920 -9.062 0.652 467 H LEU 61 HN LEU 61 -9.444 -9.018 -0.961 468 HA LEU 61 HA LEU 61 -9.002 -10.379 -3.305 469 HG LEU 61 HG LEU 61 -8.136 -7.153 -4.849 470 HB2 LEU 61 2HB LEU 61 -9.238 -7.900 -2.955 471 HB3 LEU 61 1HB LEU 61 -7.585 -7.865 -2.421 472 HD11 LEU 61 1HD1 LEU 61 -5.913 -9.093 -4.240 473 HD12 LEU 61 2HD1 LEU 61 -5.878 -7.345 -4.012 474 HD13 LEU 61 3HD1 LEU 61 -5.975 -8.020 -5.639 475 HD21 LEU 61 3HD2 LEU 61 -9.474 -9.097 -5.443 476 HD22 LEU 61 1HD2 LEU 61 -8.088 -10.151 -5.167 477 HD23 LEU 61 2HD2 LEU 61 -8.053 -8.970 -6.478 478 H LEU 62 HN LEU 62 -6.700 -9.315 -0.897 479 HA LEU 62 HA LEU 62 -4.345 -10.203 -2.092 480 HG LEU 62 HG LEU 62 -3.349 -7.937 0.612 481 HB2 LEU 62 2HB LEU 62 -5.041 -9.801 0.805 482 HB3 LEU 62 1HB LEU 62 -3.435 -10.263 0.280 483 HD11 LEU 62 1HD1 LEU 62 -3.769 -8.401 -2.332 484 HD12 LEU 62 2HD1 LEU 62 -2.268 -8.648 -1.436 485 HD13 LEU 62 3HD1 LEU 62 -2.933 -7.023 -1.610 486 HD21 LEU 62 3HD2 LEU 62 -5.738 -7.487 0.722 487 HD22 LEU 62 1HD2 LEU 62 -5.864 -7.681 -1.026 488 HD23 LEU 62 2HD2 LEU 62 -4.926 -6.346 -0.352 489 H ARG 63 HN ARG 63 -6.677 -12.019 -0.167 490 HA ARG 63 HA ARG 63 -4.842 -14.278 -0.052 491 HE ARG 63 HE ARG 63 -7.505 -13.016 3.664 492 HB2 ARG 63 2HB ARG 63 -6.570 -15.403 1.289 493 HB3 ARG 63 1HB ARG 63 -6.076 -13.864 1.968 494 HG2 ARG 63 2HG ARG 63 -8.106 -12.821 1.139 495 HG3 ARG 63 1HG ARG 63 -8.596 -14.345 0.392 496 HD2 ARG 63 2HD ARG 63 -9.676 -13.888 2.597 497 HD3 ARG 63 1HD ARG 63 -8.788 -15.411 2.520 498 HH11 ARG 63 1HH1 ARG 63 -8.741 -16.273 4.026 499 HH12 ARG 63 2HH1 ARG 63 -7.996 -16.526 5.572 500 HH21 ARG 63 1HH2 ARG 63 -6.509 -13.347 5.694 501 HH22 ARG 63 2HH2 ARG 63 -6.718 -14.862 6.523 502 H GLU 64 HN GLU 64 -6.435 -13.142 -2.485 503 HA GLU 64 HA GLU 64 -7.512 -15.664 -3.472 504 HB2 GLU 64 2HB GLU 64 -7.949 -12.969 -4.121 505 HB3 GLU 64 1HB GLU 64 -7.048 -13.616 -5.484 506 HG2 GLU 64 2HG GLU 64 -9.637 -14.685 -4.384 507 HG3 GLU 64 1HG GLU 64 -9.425 -13.775 -5.878 508 H PHE 65 HN PHE 65 -4.606 -14.203 -2.970 509 HA PHE 65 HA PHE 65 -3.276 -15.742 -5.097 510 HD1 PHE 65 1HD PHE 65 -3.606 -14.661 -7.059 511 HD2 PHE 65 2HD PHE 65 -3.245 -11.172 -4.663 512 HE1 PHE 65 1HE PHE 65 -4.957 -13.414 -8.691 513 HE2 PHE 65 2HE PHE 65 -4.606 -9.914 -6.283 514 HZ PHE 65 HZ PHE 65 -5.462 -11.038 -8.300 515 HB2 PHE 65 2HB PHE 65 -2.331 -13.121 -3.919 516 HB3 PHE 65 1HB PHE 65 -1.567 -14.013 -5.227 517 HA PRO 66 HA PRO 66 -1.583 -17.101 -1.012 518 HB2 PRO 66 2HB PRO 66 -1.947 -19.743 -1.303 519 HB3 PRO 66 1HB PRO 66 -3.272 -18.686 -0.800 520 HG2 PRO 66 2HG PRO 66 -2.705 -19.869 -3.485 521 HG3 PRO 66 1HG PRO 66 -4.259 -19.653 -2.659 522 HD2 PRO 66 2HD PRO 66 -3.266 -17.977 -4.624 523 HD3 PRO 66 1HD PRO 66 -4.492 -17.518 -3.428 524 H GLN 67 HN GLN 67 -0.206 -16.352 -3.360 525 HA GLN 67 HA GLN 67 1.769 -18.503 -3.718 526 HB2 GLN 67 2HB GLN 67 1.286 -16.075 -5.460 527 HB3 GLN 67 1HB GLN 67 2.367 -17.418 -5.810 528 HG2 GLN 67 2HG GLN 67 0.440 -18.927 -5.938 529 HG3 GLN 67 1HG GLN 67 -0.635 -17.568 -5.610 530 HE21 GLN 67 1HE2 GLN 67 -0.540 -19.328 -7.909 531 HE22 GLN 67 2HE2 GLN 67 -0.264 -18.320 -9.291 532 H PHE 68 HN PHE 68 1.187 -15.258 -2.721 533 HA PHE 68 HA PHE 68 3.978 -15.027 -1.804 534 HD1 PHE 68 2HD PHE 68 4.986 -13.279 -4.156 535 HD2 PHE 68 1HD PHE 68 0.769 -13.010 -3.905 536 HE1 PHE 68 2HE PHE 68 4.856 -13.157 -6.611 537 HE2 PHE 68 1HE PHE 68 0.616 -12.872 -6.348 538 HZ PHE 68 HZ PHE 68 2.657 -12.966 -7.699 539 HB2 PHE 68 2HB PHE 68 2.124 -12.680 -1.982 540 HB3 PHE 68 1HB PHE 68 3.881 -12.712 -2.072 541 H ASP 69 HN ASP 69 3.988 -13.425 0.172 542 HA ASP 69 HA ASP 69 1.608 -13.850 1.851 543 HB2 ASP 69 2HB ASP 69 3.634 -15.165 2.645 544 HB3 ASP 69 1HB ASP 69 4.420 -13.616 2.938 545 H TRP 70 HN TRP 70 0.663 -11.926 1.502 546 HA TRP 70 HA TRP 70 2.248 -9.592 0.956 547 HD1 TRP 70 1HD TRP 70 -0.378 -12.322 -0.068 548 HE1 TRP 70 1HE TRP 70 -0.436 -12.775 -2.593 549 HE3 TRP 70 3HE TRP 70 0.528 -7.579 -1.784 550 HZ2 TRP 70 2HZ TRP 70 -0.178 -11.330 -4.982 551 HZ3 TRP 70 3HZ TRP 70 0.600 -7.214 -4.220 552 HH2 TRP 70 2HH TRP 70 0.256 -9.071 -5.783 553 HB2 TRP 70 2HB TRP 70 -0.748 -9.782 1.220 554 HB3 TRP 70 1HB TRP 70 0.158 -8.499 0.442 555 H GLN 71 HN GLN 71 2.604 -7.884 2.205 556 HA GLN 71 HA GLN 71 1.162 -7.677 4.761 557 HB2 GLN 71 2HB GLN 71 3.865 -6.599 3.944 558 HB3 GLN 71 1HB GLN 71 3.024 -6.067 5.393 559 HG2 GLN 71 2HG GLN 71 4.551 -7.692 6.106 560 HG3 GLN 71 1HG GLN 71 2.981 -8.491 6.101 561 HE21 GLN 71 1HE2 GLN 71 3.809 -10.535 5.894 562 HE22 GLN 71 2HE2 GLN 71 4.550 -11.102 4.438 563 H VAL 72 HN VAL 72 -0.215 -6.018 5.002 564 HA VAL 72 HA VAL 72 -0.352 -4.084 2.803 565 HB VAL 72 HB VAL 72 -2.430 -4.581 4.938 566 HG11 VAL 72 1HG1 VAL 72 -2.591 -3.179 2.274 567 HG12 VAL 72 2HG1 VAL 72 -2.606 -2.409 3.861 568 HG13 VAL 72 3HG1 VAL 72 -3.941 -3.453 3.376 569 HG21 VAL 72 3HG2 VAL 72 -3.640 -5.891 3.244 570 HG22 VAL 72 1HG2 VAL 72 -2.095 -6.627 3.676 571 HG23 VAL 72 2HG2 VAL 72 -2.256 -5.742 2.158 572 H ALA 73 HN ALA 73 -0.063 -1.952 3.094 573 HA ALA 73 HA ALA 73 0.421 -1.004 5.841 574 HB1 ALA 73 1HB ALA 73 2.221 0.411 4.968 575 HB2 ALA 73 2HB ALA 73 1.979 -0.273 3.360 576 HB3 ALA 73 3HB ALA 73 2.545 -1.297 4.679 577 H VAL 74 HN VAL 74 0.194 1.348 6.083 578 HA VAL 74 HA VAL 74 -1.564 2.600 4.086 579 HB VAL 74 HB VAL 74 -2.895 3.612 5.971 580 HG11 VAL 74 1HG1 VAL 74 -3.799 1.808 4.618 581 HG12 VAL 74 2HG1 VAL 74 -4.310 1.633 6.298 582 HG13 VAL 74 3HG1 VAL 74 -3.020 0.616 5.659 583 HG21 VAL 74 3HG2 VAL 74 -1.546 1.450 7.586 584 HG22 VAL 74 1HG2 VAL 74 -2.891 2.451 8.129 585 HG23 VAL 74 2HG2 VAL 74 -1.325 3.188 7.788 586 H ALA 75 HN ALA 75 -1.781 4.991 4.504 587 HA ALA 75 HA ALA 75 0.588 6.137 5.791 588 HB1 ALA 75 1HB ALA 75 -0.241 6.707 2.948 589 HB2 ALA 75 2HB ALA 75 1.201 5.828 3.458 590 HB3 ALA 75 3HB ALA 75 1.035 7.543 3.832 591 H ASP 76 HN ASP 76 0.365 8.274 6.461 592 HA ASP 76 HA ASP 76 -2.186 9.113 7.280 593 HB2 ASP 76 2HB ASP 76 0.279 10.841 6.972 594 HB3 ASP 76 1HB ASP 76 -1.115 11.184 7.986 595 H LEU 77 HN LEU 77 -2.978 11.411 6.832 596 HA LEU 77 HA LEU 77 -3.805 11.746 4.192 597 HG LEU 77 HG LEU 77 -4.988 12.080 7.107 598 HB2 LEU 77 2HB LEU 77 -3.482 13.873 6.317 599 HB3 LEU 77 1HB LEU 77 -4.444 14.026 4.863 600 HD11 LEU 77 1HD1 LEU 77 -6.920 13.525 7.567 601 HD12 LEU 77 2HD1 LEU 77 -6.346 14.663 6.348 602 HD13 LEU 77 3HD1 LEU 77 -5.390 14.369 7.801 603 HD21 LEU 77 3HD2 LEU 77 -5.736 11.249 4.936 604 HD22 LEU 77 1HD2 LEU 77 -6.598 12.760 4.649 605 HD23 LEU 77 2HD2 LEU 77 -7.106 11.690 5.956 606 H GLU 78 HN GLU 78 -1.071 13.130 5.941 607 HA GLU 78 HA GLU 78 -0.173 14.710 3.723 608 HB2 GLU 78 2HB GLU 78 0.271 15.311 6.099 609 HB3 GLU 78 1HB GLU 78 1.317 13.903 6.229 610 HG2 GLU 78 2HG GLU 78 2.663 15.851 5.902 611 HG3 GLU 78 1HG GLU 78 2.751 14.842 4.459 612 H GLN 79 HN GLN 79 0.853 11.689 5.256 613 HA GLN 79 HA GLN 79 3.170 11.300 3.737 614 HB2 GLN 79 2HB GLN 79 1.487 9.601 5.489 615 HB3 GLN 79 1HB GLN 79 2.581 8.773 4.390 616 HG2 GLN 79 2HG GLN 79 3.581 9.120 6.589 617 HG3 GLN 79 1HG GLN 79 4.471 9.962 5.324 618 HE21 GLN 79 1HE2 GLN 79 2.441 10.294 8.122 619 HE22 GLN 79 2HE2 GLN 79 2.711 11.995 8.347 620 H SER 80 HN SER 80 -0.171 10.505 3.014 621 HA SER 80 HA SER 80 0.388 8.570 1.035 622 HG SER 80 HG SER 80 -2.158 10.457 2.746 623 HB2 SER 80 2HB SER 80 -2.002 9.152 0.258 624 HB3 SER 80 1HB SER 80 -1.791 8.496 1.882 625 H GLU 81 HN GLU 81 0.094 12.100 0.836 626 HA GLU 81 HA GLU 81 0.238 12.110 -2.023 627 HB2 GLU 81 2HB GLU 81 -0.728 14.033 -0.890 628 HB3 GLU 81 1HB GLU 81 0.788 14.328 -0.045 629 HG2 GLU 81 2HG GLU 81 1.894 14.887 -2.100 630 HG3 GLU 81 1HG GLU 81 0.481 14.411 -3.038 631 H ALA 82 HN ALA 82 2.546 12.511 0.608 632 HA ALA 82 HA ALA 82 4.821 13.035 -0.943 633 HB1 ALA 82 1HB ALA 82 4.662 11.621 1.716 634 HB2 ALA 82 2HB ALA 82 4.743 13.367 1.479 635 HB3 ALA 82 3HB ALA 82 6.105 12.349 1.010 636 H ILE 83 HN ILE 83 3.520 9.958 0.276 637 HA ILE 83 HA ILE 83 5.465 8.321 -0.974 638 HB ILE 83 HB ILE 83 2.680 7.700 0.013 639 HG12 ILE 83 2HG1 ILE 83 5.425 7.111 1.151 640 HG13 ILE 83 1HG1 ILE 83 4.313 8.348 1.730 641 HG21 ILE 83 1HG2 ILE 83 3.303 5.326 -0.139 642 HG22 ILE 83 2HG2 ILE 83 4.798 5.786 -0.957 643 HG23 ILE 83 3HG2 ILE 83 3.242 6.103 -1.723 644 HD11 ILE 83 3HD1 ILE 83 2.728 6.639 2.393 645 HD12 ILE 83 1HD1 ILE 83 4.299 6.360 3.143 646 HD13 ILE 83 2HD1 ILE 83 3.795 5.386 1.761 647 H GLY 84 HN GLY 84 2.335 9.576 -1.989 648 HA2 GLY 84 2HA GLY 84 2.060 8.165 -4.396 649 HA3 GLY 84 1HA GLY 84 1.389 9.758 -4.067 650 H ASP 85 HN ASP 85 3.869 11.082 -3.614 651 HA ASP 85 HA ASP 85 4.698 11.577 -6.316 652 HB2 ASP 85 2HB ASP 85 4.551 13.381 -4.652 653 HB3 ASP 85 1HB ASP 85 5.812 12.606 -3.704 654 H ARG 86 HN ARG 86 6.019 9.980 -3.508 655 HA ARG 86 HA ARG 86 8.647 9.544 -4.254 656 HE ARG 86 HE ARG 86 11.016 6.431 -1.499 657 HB2 ARG 86 2HB ARG 86 7.675 9.061 -2.037 658 HB3 ARG 86 1HB ARG 86 6.822 7.686 -2.718 659 HG2 ARG 86 2HG ARG 86 8.696 6.820 -1.601 660 HG3 ARG 86 1HG ARG 86 9.069 6.734 -3.321 661 HD2 ARG 86 2HD ARG 86 10.533 8.589 -3.195 662 HD3 ARG 86 1HD ARG 86 9.958 9.027 -1.586 663 HH11 ARG 86 1HH1 ARG 86 12.161 9.710 -1.978 664 HH12 ARG 86 2HH1 ARG 86 13.697 9.410 -1.224 665 HH21 ARG 86 1HH2 ARG 86 13.015 6.036 -0.502 666 HH22 ARG 86 2HH2 ARG 86 14.196 7.316 -0.421 667 H PHE 87 HN PHE 87 5.779 7.613 -5.068 668 HA PHE 87 HA PHE 87 7.446 5.914 -6.791 669 HD1 PHE 87 2HD PHE 87 7.949 3.958 -5.586 670 HD2 PHE 87 1HD PHE 87 4.218 4.921 -3.786 671 HE1 PHE 87 2HE PHE 87 8.689 2.906 -3.482 672 HE2 PHE 87 1HE PHE 87 4.954 3.875 -1.686 673 HZ PHE 87 HZ PHE 87 7.193 2.865 -1.534 674 HB2 PHE 87 2HB PHE 87 4.570 5.528 -5.940 675 HB3 PHE 87 1HB PHE 87 5.536 4.386 -6.868 676 H ASN 88 HN ASN 88 5.765 8.685 -7.030 677 HA ASN 88 HA ASN 88 4.792 9.889 -8.688 678 HB2 ASN 88 2HB ASN 88 6.264 7.891 -10.413 679 HB3 ASN 88 1HB ASN 88 5.482 9.343 -11.031 680 HD21 ASN 88 1HD2 ASN 88 8.126 8.073 -9.190 681 HD22 ASN 88 2HD2 ASN 88 9.055 9.530 -9.129 682 H VAL 89 HN VAL 89 2.994 8.476 -7.552 683 HA VAL 89 HA VAL 89 1.633 6.582 -9.227 684 HB VAL 89 HB VAL 89 0.552 8.002 -6.783 685 HG11 VAL 89 1HG1 VAL 89 -1.149 6.842 -8.061 686 HG12 VAL 89 2HG1 VAL 89 -0.846 6.003 -6.539 687 HG13 VAL 89 3HG1 VAL 89 -0.184 5.365 -8.044 688 HG21 VAL 89 3HG2 VAL 89 1.357 6.072 -5.491 689 HG22 VAL 89 1HG2 VAL 89 2.678 6.981 -6.226 690 HG23 VAL 89 2HG2 VAL 89 2.157 5.453 -6.936 691 H ARG 90 HN ARG 90 1.750 9.960 -9.051 692 HA ARG 90 HA ARG 90 0.736 11.613 -10.241 693 HE ARG 90 HE ARG 90 2.194 11.305 -12.858 694 HB2 ARG 90 2HB ARG 90 0.691 9.821 -12.048 695 HB3 ARG 90 1HB ARG 90 -0.964 9.496 -11.562 696 HG2 ARG 90 2HG ARG 90 -0.981 10.907 -13.487 697 HG3 ARG 90 1HG ARG 90 -1.540 11.839 -12.099 698 HD2 ARG 90 2HD ARG 90 -0.019 13.145 -13.483 699 HD3 ARG 90 1HD ARG 90 0.669 12.854 -11.886 700 HH11 ARG 90 1HH1 ARG 90 0.192 12.910 -15.232 701 HH12 ARG 90 2HH1 ARG 90 1.306 12.659 -16.539 702 HH21 ARG 90 1HH2 ARG 90 3.675 10.976 -14.554 703 HH22 ARG 90 2HH2 ARG 90 3.306 11.570 -16.157 704 H ARG 91 HN ARG 91 -0.310 10.305 -7.752 705 HA ARG 91 HA ARG 91 -1.834 10.839 -6.171 706 HE ARG 91 HE ARG 91 -1.189 15.428 -4.916 707 HB2 ARG 91 2HB ARG 91 -2.695 12.785 -8.285 708 HB3 ARG 91 1HB ARG 91 -3.641 12.580 -6.818 709 HG2 ARG 91 2HG ARG 91 -1.711 13.211 -5.469 710 HG3 ARG 91 1HG ARG 91 -0.735 13.374 -6.931 711 HD2 ARG 91 2HD ARG 91 -2.008 15.215 -7.688 712 HD3 ARG 91 1HD ARG 91 -3.276 14.922 -6.500 713 HH11 ARG 91 1HH1 ARG 91 -2.296 17.085 -7.784 714 HH12 ARG 91 2HH1 ARG 91 -1.820 18.652 -7.223 715 HH21 ARG 91 1HH2 ARG 91 -0.562 17.486 -4.157 716 HH22 ARG 91 2HH2 ARG 91 -0.831 18.887 -5.161 717 H PHE 92 HN PHE 92 -4.532 11.275 -6.248 718 HA PHE 92 HA PHE 92 -6.542 10.256 -6.357 719 HD1 PHE 92 2HD PHE 92 -8.558 10.529 -8.308 720 HD2 PHE 92 1HD PHE 92 -4.660 10.641 -10.013 721 HE1 PHE 92 2HE PHE 92 -9.219 12.460 -9.684 722 HE2 PHE 92 1HE PHE 92 -5.313 12.571 -11.391 723 HZ PHE 92 HZ PHE 92 -7.595 13.483 -11.228 724 HB2 PHE 92 2HB PHE 92 -5.340 8.784 -8.710 725 HB3 PHE 92 1HB PHE 92 -7.008 8.597 -8.185 726 HA PRO 93 HA PRO 93 -5.998 6.873 -3.600 727 HB2 PRO 93 2HB PRO 93 -8.469 5.701 -3.799 728 HB3 PRO 93 1HB PRO 93 -8.130 7.147 -2.843 729 HG2 PRO 93 2HG PRO 93 -9.313 6.919 -5.582 730 HG3 PRO 93 1HG PRO 93 -9.779 7.988 -4.246 731 HD2 PRO 93 2HD PRO 93 -8.312 8.865 -6.319 732 HD3 PRO 93 1HD PRO 93 -8.062 9.476 -4.670 733 H ALA 94 HN ALA 94 -4.894 5.081 -3.939 734 HA ALA 94 HA ALA 94 -5.847 2.955 -5.618 735 HB1 ALA 94 1HB ALA 94 -3.304 4.380 -6.415 736 HB2 ALA 94 2HB ALA 94 -4.819 4.406 -7.314 737 HB3 ALA 94 3HB ALA 94 -3.930 2.895 -7.129 738 H THR 95 HN THR 95 -4.722 1.039 -5.276 739 HA THR 95 HA THR 95 -3.064 0.970 -2.889 740 HB THR 95 HB THR 95 -3.946 -1.347 -4.622 741 HG1 THR 95 1HG THR 95 -5.356 -1.011 -2.321 742 HG21 THR 95 3HG2 THR 95 -3.680 -2.631 -2.532 743 HG22 THR 95 1HG2 THR 95 -3.090 -1.176 -1.730 744 HG23 THR 95 2HG2 THR 95 -2.169 -1.887 -3.055 745 H LEU 96 HN LEU 96 -0.860 0.660 -2.946 746 HA LEU 96 HA LEU 96 0.355 0.508 -5.594 747 HG LEU 96 HG LEU 96 2.463 3.046 -3.936 748 HB2 LEU 96 2HB LEU 96 1.474 1.035 -2.853 749 HB3 LEU 96 1HB LEU 96 2.515 0.678 -4.216 750 HD11 LEU 96 1HD1 LEU 96 2.447 2.247 -6.238 751 HD12 LEU 96 2HD1 LEU 96 1.603 3.787 -6.087 752 HD13 LEU 96 3HD1 LEU 96 0.683 2.292 -6.246 753 HD21 LEU 96 3HD2 LEU 96 0.406 3.228 -2.641 754 HD22 LEU 96 1HD2 LEU 96 -0.542 2.868 -4.083 755 HD23 LEU 96 2HD2 LEU 96 0.405 4.353 -3.999 756 H VAL 97 HN VAL 97 1.122 -1.286 -6.438 757 HA VAL 97 HA VAL 97 0.974 -3.710 -4.795 758 HB VAL 97 HB VAL 97 1.129 -3.490 -7.808 759 HG11 VAL 97 1HG1 VAL 97 0.425 -5.828 -7.794 760 HG12 VAL 97 2HG1 VAL 97 0.428 -5.829 -6.032 761 HG13 VAL 97 3HG1 VAL 97 1.939 -5.618 -6.915 762 HG21 VAL 97 3HG2 VAL 97 -0.927 -2.470 -6.961 763 HG22 VAL 97 1HG2 VAL 97 -1.289 -3.937 -6.053 764 HG23 VAL 97 2HG2 VAL 97 -1.268 -3.975 -7.817 765 H PHE 98 HN PHE 98 2.809 -4.414 -3.992 766 HA PHE 98 HA PHE 98 5.242 -4.180 -5.629 767 HD1 PHE 98 2HD PHE 98 7.790 -3.056 -4.675 768 HD2 PHE 98 1HD PHE 98 4.155 -1.501 -3.120 769 HE1 PHE 98 2HE PHE 98 8.532 -0.798 -5.241 770 HE2 PHE 98 1HE PHE 98 4.888 0.786 -3.684 771 HZ PHE 98 HZ PHE 98 7.086 1.140 -4.744 772 HB2 PHE 98 2HB PHE 98 4.809 -3.772 -2.700 773 HB3 PHE 98 1HB PHE 98 6.361 -4.391 -3.257 774 H THR 99 HN THR 99 6.425 -5.950 -5.955 775 HA THR 99 HA THR 99 5.830 -8.384 -4.436 776 HB THR 99 HB THR 99 5.838 -9.729 -6.548 777 HG1 THR 99 1HG THR 99 6.803 -7.945 -7.800 778 HG21 THR 99 3HG2 THR 99 3.609 -7.695 -6.381 779 HG22 THR 99 1HG2 THR 99 3.706 -9.195 -5.458 780 HG23 THR 99 2HG2 THR 99 3.532 -9.248 -7.211 781 H ASP 100 HN ASP 100 7.624 -9.505 -4.015 782 HA ASP 100 HA ASP 100 9.809 -9.971 -3.747 783 HB2 ASP 100 2HB ASP 100 11.015 -10.619 -5.607 784 HB3 ASP 100 1HB ASP 100 9.361 -10.745 -6.159 785 H GLY 101 HN GLY 101 8.887 -7.073 -3.733 786 HA2 GLY 101 2HA GLY 101 10.102 -5.253 -2.840 787 HA3 GLY 101 1HA GLY 101 11.576 -5.940 -3.506 788 H LYS 102 HN LYS 102 9.606 -6.287 -6.010 789 HA LYS 102 HA LYS 102 10.409 -3.682 -7.128 790 HB2 LYS 102 2HB LYS 102 9.488 -6.233 -8.445 791 HB3 LYS 102 1HB LYS 102 9.814 -4.744 -9.323 792 HG2 LYS 102 2HG LYS 102 12.116 -4.794 -8.664 793 HG3 LYS 102 1HG LYS 102 11.827 -6.176 -7.608 794 HD2 LYS 102 2HD LYS 102 11.181 -7.497 -9.609 795 HD3 LYS 102 1HD LYS 102 11.624 -6.116 -10.617 796 HE2 LYS 102 2HE LYS 102 13.392 -7.892 -10.375 797 HE3 LYS 102 1HE LYS 102 13.898 -6.252 -9.963 798 HZ1 LYS 102 3HZ LYS 102 12.916 -8.125 -7.891 799 HZ2 LYS 102 1HZ LYS 102 13.862 -6.730 -7.697 800 HZ3 LYS 102 2HZ LYS 102 14.543 -8.127 -8.376 801 H LEU 103 HN LEU 103 9.027 -2.265 -8.110 802 HA LEU 103 HA LEU 103 6.315 -2.260 -7.165 803 HG LEU 103 HG LEU 103 5.401 -0.195 -9.466 804 HB2 LEU 103 2HB LEU 103 7.518 -0.172 -7.308 805 HB3 LEU 103 1HB LEU 103 7.829 -0.417 -9.015 806 HD11 LEU 103 1HD1 LEU 103 3.937 0.691 -7.718 807 HD12 LEU 103 2HD1 LEU 103 5.236 0.499 -6.539 808 HD13 LEU 103 3HD1 LEU 103 4.534 -0.921 -7.317 809 HD21 LEU 103 3HD2 LEU 103 5.275 2.212 -9.094 810 HD22 LEU 103 1HD2 LEU 103 6.877 1.739 -9.661 811 HD23 LEU 103 2HD2 LEU 103 6.619 2.113 -7.957 812 H ARG 104 HN ARG 104 4.548 -2.936 -8.189 813 HA ARG 104 HA ARG 104 4.834 -3.845 -10.961 814 HE ARG 104 HE ARG 104 6.097 -4.679 -10.357 815 HB2 ARG 104 2HB ARG 104 2.662 -4.388 -8.936 816 HB3 ARG 104 1HB ARG 104 2.706 -5.033 -10.569 817 HG2 ARG 104 2HG ARG 104 4.743 -5.580 -8.419 818 HG3 ARG 104 1HG ARG 104 3.440 -6.664 -8.903 819 HD2 ARG 104 2HD ARG 104 5.403 -7.435 -9.986 820 HD3 ARG 104 1HD ARG 104 4.429 -6.638 -11.220 821 HH11 ARG 104 1HH1 ARG 104 6.605 -7.916 -11.566 822 HH12 ARG 104 2HH1 ARG 104 8.172 -7.559 -12.225 823 HH21 ARG 104 1HH2 ARG 104 8.121 -4.190 -11.240 824 HH22 ARG 104 2HH2 ARG 104 9.027 -5.424 -12.063 825 H GLY 105 HN GLY 105 2.981 -1.660 -8.922 826 HA2 GLY 105 2HA GLY 105 2.576 0.384 -10.566 827 HA3 GLY 105 1HA GLY 105 1.401 -0.759 -11.196 828 H ALA 106 HN ALA 106 -0.167 0.885 -10.630 829 HA ALA 106 HA ALA 106 -0.838 0.858 -7.761 830 HB1 ALA 106 1HB ALA 106 -1.915 3.030 -8.088 831 HB2 ALA 106 2HB ALA 106 -1.441 3.015 -9.787 832 HB3 ALA 106 3HB ALA 106 -0.209 3.095 -8.527 833 H LEU 107 HN LEU 107 -2.905 0.327 -7.193 834 HA LEU 107 HA LEU 107 -4.441 -0.968 -9.306 835 HG LEU 107 HG LEU 107 -6.826 -1.783 -7.491 836 HB2 LEU 107 2HB LEU 107 -3.860 -2.233 -7.255 837 HB3 LEU 107 1HB LEU 107 -4.793 -1.093 -6.310 838 HD11 LEU 107 1HD1 LEU 107 -5.838 -2.473 -9.605 839 HD12 LEU 107 2HD1 LEU 107 -6.798 -3.780 -8.908 840 HD13 LEU 107 3HD1 LEU 107 -5.038 -3.825 -8.801 841 HD21 LEU 107 3HD2 LEU 107 -5.261 -4.028 -6.233 842 HD22 LEU 107 1HD2 LEU 107 -7.007 -4.020 -6.484 843 HD23 LEU 107 2HD2 LEU 107 -6.267 -2.849 -5.392 844 H SER 108 HN SER 108 -5.140 1.051 -10.184 845 HA SER 108 HA SER 108 -7.333 2.266 -8.660 846 HG SER 108 HG SER 108 -4.617 3.857 -10.995 847 HB2 SER 108 2HB SER 108 -7.151 4.034 -10.543 848 HB3 SER 108 1HB SER 108 -5.883 4.000 -9.317 849 H GLY 109 HN GLY 109 -8.297 0.089 -9.253 850 HA2 GLY 109 2HA GLY 109 -9.058 -0.355 -11.979 851 HA3 GLY 109 1HA GLY 109 -9.617 -1.259 -10.578 852 H ILE 110 HN ILE 110 -10.490 0.872 -12.975 853 HA ILE 110 HA ILE 110 -12.651 2.159 -11.547 854 HB ILE 110 HB ILE 110 -12.144 2.040 -14.531 855 HG12 ILE 110 2HG1 ILE 110 -11.341 4.150 -12.512 856 HG13 ILE 110 1HG1 ILE 110 -10.242 3.009 -13.277 857 HG21 ILE 110 1HG2 ILE 110 -13.562 4.017 -14.638 858 HG22 ILE 110 2HG2 ILE 110 -13.802 3.957 -12.890 859 HG23 ILE 110 3HG2 ILE 110 -14.436 2.667 -13.913 860 HD11 ILE 110 3HD1 ILE 110 -10.738 3.999 -15.451 861 HD12 ILE 110 1HD1 ILE 110 -10.110 5.192 -14.317 862 HD13 ILE 110 2HD1 ILE 110 -11.836 5.144 -14.677 863 H HIS 111 HN HIS 111 -12.102 -0.654 -13.495 864 HA HIS 111 HA HIS 111 -14.922 -1.320 -13.665 865 HD1 HIS 111 1HD HIS 111 -13.751 -3.715 -17.172 866 HD2 HIS 111 2HD HIS 111 -13.871 0.176 -15.695 867 HE1 HIS 111 1HE HIS 111 -14.211 -2.247 -19.158 868 HE2 HIS 111 2HE HIS 111 -14.473 0.073 -18.208 869 HB2 HIS 111 2HB HIS 111 -12.392 -2.725 -14.515 870 HB3 HIS 111 1HB HIS 111 -13.957 -3.530 -14.559 871 HA PRO 112 HA PRO 112 -14.955 -2.985 -9.584 872 HB2 PRO 112 2HB PRO 112 -17.476 -4.274 -10.370 873 HB3 PRO 112 1HB PRO 112 -17.182 -3.021 -9.161 874 HG2 PRO 112 2HG PRO 112 -18.445 -2.476 -11.463 875 HG3 PRO 112 1HG PRO 112 -17.348 -1.308 -10.702 876 HD2 PRO 112 2HD PRO 112 -16.835 -3.168 -12.999 877 HD3 PRO 112 1HD PRO 112 -16.397 -1.453 -12.821 878 H TRP 113 HN TRP 113 -16.157 -5.262 -8.733 879 HA TRP 113 HA TRP 113 -14.091 -7.132 -9.300 880 HD1 TRP 113 1HD TRP 113 -15.819 -10.349 -8.541 881 HE1 TRP 113 1HE TRP 113 -14.150 -11.918 -7.337 882 HE3 TRP 113 3HE TRP 113 -13.299 -6.868 -5.803 883 HZ2 TRP 113 2HZ TRP 113 -12.040 -11.678 -5.467 884 HZ3 TRP 113 3HZ TRP 113 -11.464 -7.606 -4.336 885 HH2 TRP 113 2HH TRP 113 -10.850 -9.962 -4.178 886 HB2 TRP 113 2HB TRP 113 -15.338 -6.791 -7.092 887 HB3 TRP 113 1HB TRP 113 -16.613 -7.780 -7.799 888 H ALA 114 HN ALA 114 -14.059 -7.990 -11.195 889 HA ALA 114 HA ALA 114 -15.442 -10.084 -12.196 890 HB1 ALA 114 1HB ALA 114 -16.981 -9.178 -13.878 891 HB2 ALA 114 2HB ALA 114 -16.657 -7.539 -13.313 892 HB3 ALA 114 3HB ALA 114 -17.489 -8.685 -12.263 893 H GLU 115 HN GLU 115 -13.955 -7.049 -12.685 894 HA GLU 115 HA GLU 115 -12.548 -7.967 -15.106 895 HB2 GLU 115 2HB GLU 115 -12.884 -5.179 -13.984 896 HB3 GLU 115 1HB GLU 115 -12.104 -5.592 -15.505 897 HG2 GLU 115 2HG GLU 115 -14.944 -6.364 -15.008 898 HG3 GLU 115 1HG GLU 115 -14.532 -4.723 -15.511 899 H LEU 116 HN LEU 116 -12.215 -6.753 -11.864 900 HA LEU 116 HA LEU 116 -9.537 -6.019 -11.799 901 HG LEU 116 HG LEU 116 -8.897 -5.153 -9.632 902 HB2 LEU 116 2HB LEU 116 -11.395 -5.678 -10.071 903 HB3 LEU 116 1HB LEU 116 -11.011 -7.285 -9.499 904 HD11 LEU 116 1HD1 LEU 116 -10.725 -4.197 -8.358 905 HD12 LEU 116 2HD1 LEU 116 -9.397 -4.633 -7.283 906 HD13 LEU 116 3HD1 LEU 116 -10.831 -5.655 -7.372 907 HD21 LEU 116 3HD2 LEU 116 -8.143 -7.445 -9.272 908 HD22 LEU 116 1HD2 LEU 116 -9.249 -7.607 -7.907 909 HD23 LEU 116 2HD2 LEU 116 -7.903 -6.471 -7.822 910 H LEU 117 HN LEU 117 -11.031 -9.183 -11.398 911 HA LEU 117 HA LEU 117 -8.903 -10.601 -10.330 912 HG LEU 117 HG LEU 117 -12.020 -10.683 -10.265 913 HB2 LEU 117 2HB LEU 117 -10.961 -11.579 -12.312 914 HB3 LEU 117 1HB LEU 117 -9.942 -12.604 -11.320 915 HD11 LEU 117 1HD1 LEU 117 -12.063 -13.688 -10.490 916 HD12 LEU 117 2HD1 LEU 117 -13.034 -12.560 -11.436 917 HD13 LEU 117 3HD1 LEU 117 -13.284 -12.693 -9.695 918 HD21 LEU 117 3HD2 LEU 117 -11.618 -11.797 -8.122 919 HD22 LEU 117 1HD2 LEU 117 -10.166 -10.993 -8.718 920 HD23 LEU 117 2HD2 LEU 117 -10.325 -12.744 -8.856 921 H THR 118 HN THR 118 -9.770 -10.283 -13.765 922 HA THR 118 HA THR 118 -7.482 -11.603 -14.751 923 HB THR 118 HB THR 118 -9.202 -9.544 -16.152 924 HG1 THR 118 1HG THR 118 -9.460 -12.349 -15.743 925 HG21 THR 118 3HG2 THR 118 -8.478 -10.648 -18.209 926 HG22 THR 118 1HG2 THR 118 -7.454 -11.739 -17.275 927 HG23 THR 118 2HG2 THR 118 -7.091 -10.014 -17.323 928 H LEU 119 HN LEU 119 -8.194 -8.183 -14.191 929 HA LEU 119 HA LEU 119 -5.926 -7.107 -15.457 930 HG LEU 119 HG LEU 119 -7.178 -3.787 -14.437 931 HB2 LEU 119 2HB LEU 119 -8.072 -5.958 -14.604 932 HB3 LEU 119 1HB LEU 119 -7.272 -5.897 -13.051 933 HD11 LEU 119 1HD1 LEU 119 -4.528 -4.994 -13.661 934 HD12 LEU 119 2HD1 LEU 119 -5.655 -4.198 -12.564 935 HD13 LEU 119 3HD1 LEU 119 -4.883 -3.275 -13.855 936 HD21 LEU 119 3HD2 LEU 119 -5.505 -3.682 -16.211 937 HD22 LEU 119 1HD2 LEU 119 -6.800 -4.808 -16.611 938 HD23 LEU 119 2HD2 LEU 119 -5.238 -5.418 -16.066 939 H MET 120 HN MET 120 -6.524 -7.891 -12.052 940 HA MET 120 HA MET 120 -3.991 -7.093 -11.105 941 HB2 MET 120 2HB MET 120 -6.016 -7.429 -9.693 942 HB3 MET 120 1HB MET 120 -5.832 -9.165 -9.904 943 HG2 MET 120 2HG MET 120 -4.949 -8.491 -7.770 944 HG3 MET 120 1HG MET 120 -3.646 -9.060 -8.811 945 HE1 MET 120 3HE MET 120 -1.995 -6.234 -6.604 946 HE2 MET 120 1HE MET 120 -1.919 -7.932 -7.077 947 HE3 MET 120 2HE MET 120 -3.270 -7.344 -6.108 948 H ARG 121 HN ARG 121 -5.228 -10.307 -12.054 949 HA ARG 121 HA ARG 121 -2.912 -11.749 -11.393 950 HE ARG 121 HE ARG 121 -6.895 -14.442 -9.834 951 HB2 ARG 121 2HB ARG 121 -5.190 -12.262 -13.287 952 HB3 ARG 121 1HB ARG 121 -3.893 -13.408 -13.044 953 HG2 ARG 121 2HG ARG 121 -4.443 -13.541 -10.666 954 HG3 ARG 121 1HG ARG 121 -5.766 -12.399 -10.926 955 HD2 ARG 121 2HD ARG 121 -6.884 -13.932 -12.387 956 HD3 ARG 121 1HD ARG 121 -5.511 -15.032 -12.356 957 HH11 ARG 121 1HH1 ARG 121 -6.210 -16.725 -12.422 958 HH12 ARG 121 2HH1 ARG 121 -6.785 -18.095 -11.523 959 HH21 ARG 121 1HH2 ARG 121 -7.632 -16.260 -8.654 960 HH22 ARG 121 2HH2 ARG 121 -7.586 -17.838 -9.395 961 H SER 122 HN SER 122 -3.867 -9.984 -14.242 962 HA SER 122 HA SER 122 -1.903 -10.821 -16.035 963 HG SER 122 HG SER 122 -1.692 -9.437 -17.786 964 HB2 SER 122 2HB SER 122 -3.865 -9.346 -16.551 965 HB3 SER 122 1HB SER 122 -3.016 -8.020 -15.762 966 H ILE 123 HN ILE 123 -1.707 -8.674 -13.287 967 HA ILE 123 HA ILE 123 0.935 -7.719 -14.062 968 HB ILE 123 HB ILE 123 -0.654 -7.076 -11.572 969 HG12 ILE 123 2HG1 ILE 123 -0.444 -5.540 -14.178 970 HG13 ILE 123 1HG1 ILE 123 -1.863 -6.427 -13.627 971 HG21 ILE 123 1HG2 ILE 123 0.824 -5.134 -11.429 972 HG22 ILE 123 2HG2 ILE 123 1.699 -5.693 -12.853 973 HG23 ILE 123 3HG2 ILE 123 1.736 -6.643 -11.368 974 HD11 ILE 123 3HD1 ILE 123 -2.062 -4.014 -13.270 975 HD12 ILE 123 1HD1 ILE 123 -0.642 -4.061 -12.225 976 HD13 ILE 123 2HD1 ILE 123 -2.114 -4.915 -11.755 977 H VAL 124 HN VAL 124 -0.565 -9.522 -11.382 978 HA VAL 124 HA VAL 124 2.054 -10.127 -10.253 979 HB VAL 124 HB VAL 124 0.795 -11.204 -8.423 980 HG11 VAL 124 1HG1 VAL 124 -0.151 -8.428 -9.122 981 HG12 VAL 124 2HG1 VAL 124 1.343 -8.841 -8.281 982 HG13 VAL 124 3HG1 VAL 124 -0.216 -9.162 -7.520 983 HG21 VAL 124 3HG2 VAL 124 -1.137 -12.013 -9.645 984 HG22 VAL 124 1HG2 VAL 124 -1.649 -10.358 -9.981 985 HG23 VAL 124 2HG2 VAL 124 -1.656 -10.966 -8.325 986 H ASP 125 HN ASP 125 1.543 -11.228 -12.800 987 HA ASP 125 HA ASP 125 0.517 -13.811 -12.882 988 HB2 ASP 125 2HB ASP 125 1.057 -12.476 -14.879 989 HB3 ASP 125 1HB ASP 125 2.775 -12.663 -14.536 990 H THR 126 HN THR 126 3.794 -12.737 -12.077 991 HA THR 126 HA THR 126 4.634 -15.511 -11.769 992 HB THR 126 HB THR 126 6.202 -14.148 -12.976 993 HG1 THR 126 1HG THR 126 7.015 -14.863 -10.346 994 HG21 THR 126 3HG2 THR 126 7.336 -12.220 -11.942 995 HG22 THR 126 1HG2 THR 126 6.254 -12.343 -10.555 996 HG23 THR 126 2HG2 THR 126 5.609 -11.946 -12.146 997 HA PRO 127 HA PRO 127 3.945 -15.158 -7.371 998 HB2 PRO 127 2HB PRO 127 4.434 -17.713 -6.755 999 HB3 PRO 127 1HB PRO 127 2.971 -17.246 -7.633 1000 HG2 PRO 127 2HG PRO 127 5.529 -18.393 -8.688 1001 HG3 PRO 127 1HG PRO 127 3.859 -18.822 -9.103 1002 HD2 PRO 127 2HD PRO 127 5.421 -17.160 -10.619 1003 HD3 PRO 127 1HD PRO 127 3.648 -17.075 -10.576 1004 H ALA 128 HN ALA 128 5.196 -15.730 -5.380 1005 HA ALA 128 HA ALA 128 7.967 -15.050 -5.659 1006 HB1 ALA 128 1HB ALA 128 6.665 -14.252 -3.750 1007 HB2 ALA 128 2HB ALA 128 8.033 -15.230 -3.212 1008 HB3 ALA 128 3HB ALA 128 6.406 -15.916 -3.221 1009 H ALA 129 HN ALA 129 6.093 -17.936 -5.119 1010 HA ALA 129 HA ALA 129 8.394 -19.550 -5.846 1011 HB1 ALA 129 1HB ALA 129 8.528 -19.523 -3.410 1012 HB2 ALA 129 2HB ALA 129 8.063 -21.123 -3.985 1013 HB3 ALA 129 3HB ALA 129 6.848 -20.046 -3.298 1014 H GLN 130 HN GLN 130 5.593 -20.853 -4.262 1015 HA GLN 130 HA GLN 130 4.220 -21.270 -6.816 1016 HB2 GLN 130 2HB GLN 130 4.484 -23.456 -4.732 1017 HB3 GLN 130 1HB GLN 130 3.680 -23.576 -6.288 1018 HG2 GLN 130 2HG GLN 130 5.656 -24.670 -6.687 1019 HG3 GLN 130 1HG GLN 130 6.030 -23.043 -7.253 1020 HE21 GLN 130 1HE2 GLN 130 5.797 -23.996 -3.885 1021 HE22 GLN 130 2HE2 GLN 130 7.474 -23.772 -3.517 1022 H GLU 131 HN GLU 131 3.369 -22.754 -3.776 1023 HA GLU 131 HA GLU 131 1.497 -20.566 -3.193 1024 HB2 GLU 131 2HB GLU 131 0.996 -23.538 -2.970 1025 HB3 GLU 131 1HB GLU 131 0.025 -22.348 -2.121 1026 HG2 GLU 131 2HG GLU 131 -1.195 -22.900 -4.036 1027 HG3 GLU 131 1HG GLU 131 -0.471 -21.335 -4.384 1028 H THR 132 HN THR 132 2.084 -19.617 -1.372 1029 HA THR 132 HA THR 132 4.084 -20.727 0.325 1030 HB THR 132 HB THR 132 2.347 -18.310 0.860 1031 HG1 THR 132 1HG THR 132 4.935 -18.088 -0.207 1032 HG21 THR 132 3HG2 THR 132 3.606 -19.056 2.811 1033 HG22 THR 132 1HG2 THR 132 4.287 -17.554 2.184 1034 HG23 THR 132 2HG2 THR 132 5.092 -19.091 1.860 1035 H VAL 133 HN VAL 133 0.600 -20.148 0.681 1036 HA VAL 133 HA VAL 133 0.695 -21.645 3.210 1037 HB VAL 133 HB VAL 133 -0.020 -19.373 3.592 1038 HG11 VAL 133 1HG1 VAL 133 -2.044 -18.439 2.583 1039 HG12 VAL 133 2HG1 VAL 133 -2.201 -19.876 1.574 1040 HG13 VAL 133 3HG1 VAL 133 -0.816 -18.804 1.373 1041 HG21 VAL 133 3HG2 VAL 133 -1.065 -21.110 4.937 1042 HG22 VAL 133 1HG2 VAL 133 -2.359 -21.266 3.752 1043 HG23 VAL 133 2HG2 VAL 133 -2.178 -19.769 4.668 1044 H GLN 134 HN GLN 134 -0.075 -23.626 3.094 1045 HA GLN 134 HA GLN 134 -1.655 -24.429 0.797 1046 HB2 GLN 134 2HB GLN 134 -0.465 -26.056 3.050 1047 HB3 GLN 134 1HB GLN 134 -1.301 -26.730 1.662 1048 HG2 GLN 134 2HG GLN 134 0.987 -26.972 1.221 1049 HG3 GLN 134 1HG GLN 134 0.448 -25.625 0.221 1050 HE21 GLN 134 1HE2 GLN 134 2.507 -24.781 0.051 1051 HE22 GLN 134 2HE2 GLN 134 3.299 -23.985 1.368 1052 H LEU 135 HN LEU 135 -2.073 -23.977 4.234 1053 HA LEU 135 HA LEU 135 -4.555 -25.458 4.283 1054 HG LEU 135 HG LEU 135 -3.542 -22.614 6.488 1055 HB2 LEU 135 2HB LEU 135 -4.653 -24.927 6.647 1056 HB3 LEU 135 1HB LEU 135 -3.086 -25.581 6.219 1057 HD11 LEU 135 1HD1 LEU 135 -2.749 -22.765 8.771 1058 HD12 LEU 135 2HD1 LEU 135 -2.639 -24.521 8.644 1059 HD13 LEU 135 3HD1 LEU 135 -4.213 -23.729 8.579 1060 HD21 LEU 135 3HD2 LEU 135 -1.503 -23.339 5.328 1061 HD22 LEU 135 1HD2 LEU 135 -1.066 -24.331 6.720 1062 HD23 LEU 135 2HD2 LEU 135 -1.135 -22.576 6.874 1063 H GLU 136 HN GLU 136 -3.934 -22.651 2.955 1064 HA GLU 136 HA GLU 136 -6.539 -21.539 3.744 1065 HB2 GLU 136 2HB GLU 136 -4.695 -20.085 4.512 1066 HB3 GLU 136 1HB GLU 136 -4.100 -19.978 2.862 1067 HG2 GLU 136 2HG GLU 136 -5.375 -17.994 3.573 1068 HG3 GLU 136 1HG GLU 136 -6.064 -18.799 2.164 1069 H HIS 137 HN HIS 137 -7.435 -22.860 2.091 1070 HA HIS 137 HA HIS 137 -7.289 -21.527 -0.512 1071 HD1 HIS 137 1HD HIS 137 -7.872 -24.959 -2.973 1072 HD2 HIS 137 2HD HIS 137 -5.313 -21.745 -2.307 1073 HE1 HIS 137 1HE HIS 137 -7.136 -24.192 -5.252 1074 HE2 HIS 137 2HE HIS 137 -5.409 -22.403 -4.809 1075 HB2 HIS 137 2HB HIS 137 -5.969 -23.852 -0.207 1076 HB3 HIS 137 1HB HIS 137 -7.573 -24.488 -0.556 1077 H HIS 138 HN HIS 138 -9.121 -21.676 1.847 1078 HA HIS 138 HA HIS 138 -11.492 -22.879 0.597 1079 HD1 HIS 138 1HD HIS 138 -10.225 -24.104 4.849 1080 HD2 HIS 138 2HD HIS 138 -11.823 -25.224 1.173 1081 HE1 HIS 138 1HE HIS 138 -9.912 -26.593 4.699 1082 HE2 HIS 138 2HE HIS 138 -10.745 -27.223 2.405 1083 HB2 HIS 138 2HB HIS 138 -10.908 -22.142 3.468 1084 HB3 HIS 138 1HB HIS 138 -12.516 -22.581 2.904 1085 H HIS 139 HN HIS 139 -13.544 -21.684 0.867 1086 HA HIS 139 HA HIS 139 -13.122 -18.767 0.869 1087 HD1 HIS 139 1HD HIS 139 -13.070 -17.248 -1.981 1088 HD2 HIS 139 2HD HIS 139 -12.452 -21.351 -2.274 1089 HE1 HIS 139 1HE HIS 139 -11.172 -17.533 -3.603 1090 HE2 HIS 139 2HE HIS 139 -10.692 -20.010 -3.622 1091 HB2 HIS 139 2HB HIS 139 -14.820 -20.379 -1.045 1092 HB3 HIS 139 1HB HIS 139 -14.908 -18.629 -0.894 1093 H HIS 140 HN HIS 140 -14.990 -17.510 1.435 1094 HA HIS 140 HA HIS 140 -16.806 -18.999 3.213 1095 HD1 HIS 140 1HD HIS 140 -14.656 -15.434 5.443 1096 HD2 HIS 140 2HD HIS 140 -14.970 -19.510 4.659 1097 HE1 HIS 140 1HE HIS 140 -12.920 -16.545 6.888 1098 HE2 HIS 140 2HE HIS 140 -13.177 -19.017 6.458 1099 HB2 HIS 140 2HB HIS 140 -15.992 -16.079 3.250 1100 HB3 HIS 140 1HB HIS 140 -17.179 -16.800 4.332 1101 H HIS 141 HN HIS 141 -18.981 -17.760 3.446 1102 HA HIS 141 HA HIS 141 -19.928 -17.145 0.723 1103 HD1 HIS 141 1HD HIS 141 -21.191 -19.408 -0.287 1104 HD2 HIS 141 2HD HIS 141 -20.953 -20.444 3.736 1105 HE1 HIS 141 1HE HIS 141 -20.848 -21.900 -0.246 1106 HE2 HIS 141 2HE HIS 141 -20.886 -22.522 2.197 1107 HB2 HIS 141 2HB HIS 141 -21.548 -17.872 3.183 1108 HB3 HIS 141 1HB HIS 141 -22.187 -17.619 1.564 1109 H HIS 142 HN HIS 142 -20.608 -16.236 4.064 1110 HA HIS 142 HA HIS 142 -19.851 -13.570 3.859 1111 HD1 HIS 142 1HD HIS 142 -20.676 -11.231 2.268 1112 HD2 HIS 142 2HD HIS 142 -23.271 -11.651 5.495 1113 HE1 HIS 142 1HE HIS 142 -21.002 -8.910 3.184 1114 HE2 HIS 142 2HE HIS 142 -22.477 -9.205 5.213 1115 HB2 HIS 142 2HB HIS 142 -21.962 -13.528 2.396 1116 HB3 HIS 142 1HB HIS 142 -22.866 -13.847 3.874 Start of MODEL 20 1 HA MET 1 HA MET 1 8.927 10.954 13.197 2 H1 MET 1 1HT MET 1 7.021 9.453 12.668 3 H2 MET 1 2HT MET 1 8.557 8.833 12.335 4 H3 MET 1 3HT MET 1 7.587 9.407 11.066 5 HB2 MET 1 2HB MET 1 8.996 11.163 10.178 6 HB3 MET 1 1HB MET 1 9.906 12.166 11.298 7 HG2 MET 1 2HG MET 1 11.188 10.253 12.024 8 HG3 MET 1 1HG MET 1 10.221 9.188 11.003 9 HE1 MET 1 3HE MET 1 13.407 9.251 10.937 10 HE2 MET 1 1HE MET 1 13.689 9.169 9.199 11 HE3 MET 1 2HE MET 1 12.417 8.194 9.934 12 H ALA 2 HN ALA 2 6.840 11.374 10.317 13 HA ALA 2 HA ALA 2 5.741 13.783 11.612 14 HB1 ALA 2 1HB ALA 2 5.671 12.998 8.700 15 HB2 ALA 2 2HB ALA 2 6.793 14.147 9.431 16 HB3 ALA 2 3HB ALA 2 5.067 14.507 9.388 17 H ASN 3 HN ASN 3 4.257 12.693 12.933 18 HA ASN 3 HA ASN 3 1.699 12.281 11.766 19 HB2 ASN 3 2HB ASN 3 2.574 10.095 11.169 20 HB3 ASN 3 1HB ASN 3 3.157 9.841 12.810 21 HD21 ASN 3 1HD2 ASN 3 0.412 9.806 10.702 22 HD22 ASN 3 2HD2 ASN 3 -0.694 9.086 11.827 23 H ASP 4 HN ASP 4 0.512 13.308 13.227 24 HA ASP 4 HA ASP 4 0.659 12.353 15.991 25 HB2 ASP 4 2HB ASP 4 0.466 14.552 16.942 26 HB3 ASP 4 1HB ASP 4 1.860 14.542 15.874 27 H THR 5 HN THR 5 -1.314 12.604 17.164 28 HA THR 5 HA THR 5 -3.512 12.219 17.447 29 HB THR 5 HB THR 5 -5.183 13.458 16.316 30 HG1 THR 5 1HG THR 5 -3.309 13.571 14.219 31 HG21 THR 5 3HG2 THR 5 -3.759 14.816 17.745 32 HG22 THR 5 1HG2 THR 5 -4.333 15.756 16.367 33 HG23 THR 5 2HG2 THR 5 -2.681 15.140 16.387 34 HA PRO 6 HA PRO 6 -4.517 8.743 14.906 35 HB2 PRO 6 2HB PRO 6 -7.317 8.845 15.627 36 HB3 PRO 6 1HB PRO 6 -6.067 7.748 16.218 37 HG2 PRO 6 2HG PRO 6 -7.260 9.662 17.762 38 HG3 PRO 6 1HG PRO 6 -5.627 9.037 18.054 39 HD2 PRO 6 2HD PRO 6 -6.477 11.580 16.718 40 HD3 PRO 6 1HD PRO 6 -5.133 11.293 17.846 41 H PHE 7 HN PHE 7 -5.444 11.764 14.118 42 HA PHE 7 HA PHE 7 -6.521 12.796 12.405 43 HD1 PHE 7 1HD PHE 7 -5.085 13.873 10.348 44 HD2 PHE 7 2HD PHE 7 -3.331 10.232 11.675 45 HE1 PHE 7 1HE PHE 7 -2.861 14.920 10.265 46 HE2 PHE 7 2HE PHE 7 -1.102 11.272 11.595 47 HZ PHE 7 HZ PHE 7 -0.867 13.617 10.889 48 HB2 PHE 7 2HB PHE 7 -5.585 10.273 11.032 49 HB3 PHE 7 1HB PHE 7 -6.258 11.657 10.175 50 H SER 8 HN SER 8 -8.394 11.981 13.965 51 HA SER 8 HA SER 8 -10.613 11.577 14.110 52 HG SER 8 HG SER 8 -12.503 12.076 13.143 53 HB2 SER 8 2HB SER 8 -10.563 12.874 11.896 54 HB3 SER 8 1HB SER 8 -10.701 11.306 11.101 55 H ALA 9 HN ALA 9 -12.225 9.853 12.452 56 HA ALA 9 HA ALA 9 -11.436 7.375 13.699 57 HB1 ALA 9 1HB ALA 9 -13.820 8.011 11.968 58 HB2 ALA 9 2HB ALA 9 -13.768 8.070 13.729 59 HB3 ALA 9 3HB ALA 9 -13.583 6.528 12.894 60 H LEU 10 HN LEU 10 -11.507 8.704 10.467 61 HA LEU 10 HA LEU 10 -11.523 6.417 8.922 62 HG LEU 10 HG LEU 10 -11.421 6.923 6.545 63 HB2 LEU 10 2HB LEU 10 -11.624 8.874 8.229 64 HB3 LEU 10 1HB LEU 10 -9.874 8.848 8.269 65 HD11 LEU 10 1HD1 LEU 10 -11.171 8.483 4.690 66 HD12 LEU 10 2HD1 LEU 10 -10.474 9.682 5.778 67 HD13 LEU 10 3HD1 LEU 10 -12.155 9.189 5.972 68 HD21 LEU 10 3HD2 LEU 10 -9.048 6.444 6.918 69 HD22 LEU 10 1HD2 LEU 10 -8.633 8.059 6.346 70 HD23 LEU 10 2HD2 LEU 10 -9.359 6.893 5.240 71 H TRP 11 HN TRP 11 -8.640 8.122 10.167 72 HA TRP 11 HA TRP 11 -6.841 6.178 9.094 73 HD1 TRP 11 1HD TRP 11 -4.666 8.051 12.708 74 HE1 TRP 11 1HE TRP 11 -2.307 7.051 12.658 75 HE3 TRP 11 3HE TRP 11 -4.601 6.413 7.867 76 HZ2 TRP 11 2HZ TRP 11 -0.626 5.739 10.798 77 HZ3 TRP 11 3HZ TRP 11 -2.576 5.293 7.033 78 HH2 TRP 11 2HH TRP 11 -0.631 4.963 8.469 79 HB2 TRP 11 2HB TRP 11 -6.024 8.399 9.325 80 HB3 TRP 11 1HB TRP 11 -6.508 8.481 11.012 81 H GLN 12 HN GLN 12 -7.915 6.987 12.370 82 HA GLN 12 HA GLN 12 -6.704 5.087 13.894 83 HB2 GLN 12 2HB GLN 12 -8.215 6.804 14.773 84 HB3 GLN 12 1HB GLN 12 -9.593 5.962 14.075 85 HG2 GLN 12 2HG GLN 12 -9.029 4.011 15.529 86 HG3 GLN 12 1HG GLN 12 -7.816 5.025 16.311 87 HE21 GLN 12 1HE2 GLN 12 -8.837 4.911 18.295 88 HE22 GLN 12 2HE2 GLN 12 -10.309 5.767 18.628 89 H ARG 13 HN ARG 13 -9.638 4.611 11.934 90 HA ARG 13 HA ARG 13 -10.198 1.981 12.716 91 HE ARG 13 HE ARG 13 -13.078 0.774 11.132 92 HB2 ARG 13 2HB ARG 13 -10.817 3.536 10.218 93 HB3 ARG 13 1HB ARG 13 -11.294 1.852 10.379 94 HG2 ARG 13 2HG ARG 13 -12.135 4.122 12.172 95 HG3 ARG 13 1HG ARG 13 -13.130 3.318 10.955 96 HD2 ARG 13 2HD ARG 13 -11.990 2.106 13.467 97 HD3 ARG 13 1HD ARG 13 -13.687 2.448 13.130 98 HH11 ARG 13 1HH1 ARG 13 -12.420 0.584 14.575 99 HH12 ARG 13 2HH1 ARG 13 -12.489 -1.156 14.612 100 HH21 ARG 13 1HH2 ARG 13 -13.124 -1.511 11.190 101 HH22 ARG 13 2HH2 ARG 13 -12.873 -2.338 12.699 102 H LEU 14 HN LEU 14 -8.046 3.216 10.217 103 HA LEU 14 HA LEU 14 -7.491 0.713 9.012 104 HG LEU 14 HG LEU 14 -7.840 3.863 8.240 105 HB2 LEU 14 2HB LEU 14 -5.681 3.128 9.124 106 HB3 LEU 14 1HB LEU 14 -5.629 1.827 7.949 107 HD11 LEU 14 1HD1 LEU 14 -5.782 3.479 6.073 108 HD12 LEU 14 2HD1 LEU 14 -5.803 4.780 7.264 109 HD13 LEU 14 3HD1 LEU 14 -7.092 4.660 6.066 110 HD21 LEU 14 3HD2 LEU 14 -8.694 1.676 7.543 111 HD22 LEU 14 1HD2 LEU 14 -7.519 1.638 6.228 112 HD23 LEU 14 2HD2 LEU 14 -8.790 2.861 6.240 113 H LEU 15 HN LEU 15 -5.950 2.559 11.592 114 HA LEU 15 HA LEU 15 -3.769 0.852 12.070 115 HG LEU 15 HG LEU 15 -4.290 3.936 12.200 116 HB2 LEU 15 2HB LEU 15 -5.296 2.603 13.999 117 HB3 LEU 15 1HB LEU 15 -3.740 1.872 14.330 118 HD11 LEU 15 1HD1 LEU 15 -4.398 4.840 14.465 119 HD12 LEU 15 2HD1 LEU 15 -2.966 5.416 13.610 120 HD13 LEU 15 3HD1 LEU 15 -2.817 4.145 14.823 121 HD21 LEU 15 3HD2 LEU 15 -1.863 3.980 11.926 122 HD22 LEU 15 1HD2 LEU 15 -2.525 2.392 11.542 123 HD23 LEU 15 2HD2 LEU 15 -1.706 2.656 13.080 124 H THR 16 HN THR 16 -7.108 0.748 13.094 125 HA THR 16 HA THR 16 -6.883 -1.061 15.223 126 HB THR 16 HB THR 16 -9.255 -0.774 13.369 127 HG1 THR 16 1HG THR 16 -8.133 1.143 14.691 128 HG21 THR 16 3HG2 THR 16 -9.068 -1.566 16.282 129 HG22 THR 16 1HG2 THR 16 -9.421 -2.650 14.936 130 HG23 THR 16 2HG2 THR 16 -10.560 -1.373 15.362 131 H ARG 17 HN ARG 17 -6.848 -1.569 11.769 132 HA ARG 17 HA ARG 17 -7.418 -4.405 12.053 133 HE ARG 17 HE ARG 17 -8.634 -5.651 9.166 134 HB2 ARG 17 2HB ARG 17 -6.821 -2.738 9.608 135 HB3 ARG 17 1HB ARG 17 -7.174 -4.461 9.572 136 HG2 ARG 17 2HG ARG 17 -9.323 -3.703 10.894 137 HG3 ARG 17 1HG ARG 17 -8.978 -2.165 10.102 138 HD2 ARG 17 2HD ARG 17 -10.505 -3.464 8.750 139 HD3 ARG 17 1HD ARG 17 -8.950 -3.320 7.928 140 HH11 ARG 17 1HH1 ARG 17 -11.370 -4.433 7.333 141 HH12 ARG 17 2HH1 ARG 17 -11.885 -6.018 6.821 142 HH21 ARG 17 1HH2 ARG 17 -9.320 -7.722 8.494 143 HH22 ARG 17 2HH2 ARG 17 -10.726 -7.876 7.490 144 H GLY 18 HN GLY 18 -4.773 -2.644 12.640 145 HA2 GLY 18 2HA GLY 18 -2.693 -3.505 13.228 146 HA3 GLY 18 1HA GLY 18 -3.110 -5.004 12.418 147 H TRP 19 HN TRP 19 -3.459 -2.023 10.704 148 HA TRP 19 HA TRP 19 -1.372 -2.797 8.858 149 HD1 TRP 19 1HD TRP 19 -2.903 -4.119 8.241 150 HE1 TRP 19 1HE TRP 19 -4.819 -5.019 6.794 151 HE3 TRP 19 3HE TRP 19 -4.940 0.318 6.741 152 HZ2 TRP 19 2HZ TRP 19 -6.914 -3.994 5.209 153 HZ3 TRP 19 3HZ TRP 19 -6.894 0.270 5.251 154 HH2 TRP 19 2HH TRP 19 -7.848 -1.840 4.494 155 HB2 TRP 19 2HB TRP 19 -3.331 -0.503 8.880 156 HB3 TRP 19 1HB TRP 19 -2.137 -0.759 7.608 157 H GLN 20 HN GLN 20 0.503 -1.732 8.449 158 HA GLN 20 HA GLN 20 1.532 -0.155 10.644 159 HB2 GLN 20 2HB GLN 20 2.795 -1.462 8.240 160 HB3 GLN 20 1HB GLN 20 3.688 -0.429 9.330 161 HG2 GLN 20 2HG GLN 20 4.161 -2.591 10.045 162 HG3 GLN 20 1HG GLN 20 2.955 -2.003 11.186 163 HE21 GLN 20 1HE2 GLN 20 2.222 -3.030 7.922 164 HE22 GLN 20 2HE2 GLN 20 1.335 -4.449 8.361 165 HA PRO 21 HA PRO 21 1.341 3.580 8.167 166 HB2 PRO 21 2HB PRO 21 2.436 5.256 9.964 167 HB3 PRO 21 1HB PRO 21 0.792 4.636 10.148 168 HG2 PRO 21 2HG PRO 21 3.293 3.824 11.541 169 HG3 PRO 21 1HG PRO 21 1.636 3.899 12.160 170 HD2 PRO 21 2HD PRO 21 2.957 1.592 11.319 171 HD3 PRO 21 1HD PRO 21 1.204 1.762 11.530 172 H VAL 22 HN VAL 22 2.748 3.840 6.528 173 HA VAL 22 HA VAL 22 5.621 3.602 7.112 174 HB VAL 22 HB VAL 22 5.890 3.343 4.618 175 HG11 VAL 22 1HG1 VAL 22 5.180 0.994 4.612 176 HG12 VAL 22 2HG1 VAL 22 4.222 1.289 6.063 177 HG13 VAL 22 3HG1 VAL 22 5.978 1.436 6.123 178 HG21 VAL 22 3HG2 VAL 22 3.779 4.324 3.903 179 HG22 VAL 22 1HG2 VAL 22 2.887 3.041 4.721 180 HG23 VAL 22 2HG2 VAL 22 3.908 2.659 3.334 181 H GLU 23 HN GLU 23 7.094 5.029 6.040 182 HA GLU 23 HA GLU 23 5.937 7.672 5.473 183 HB2 GLU 23 2HB GLU 23 8.356 7.007 7.146 184 HB3 GLU 23 1HB GLU 23 7.989 8.627 6.578 185 HG2 GLU 23 2HG GLU 23 5.823 8.489 7.778 186 HG3 GLU 23 1HG GLU 23 6.334 6.935 8.437 187 H ALA 24 HN ALA 24 7.780 9.137 4.504 188 HA ALA 24 HA ALA 24 8.296 7.934 1.974 189 HB1 ALA 24 1HB ALA 24 9.243 10.590 3.040 190 HB2 ALA 24 2HB ALA 24 7.712 10.300 2.216 191 HB3 ALA 24 3HB ALA 24 9.233 10.088 1.351 192 H SER 25 HN SER 25 10.179 8.290 4.848 193 HA SER 25 HA SER 25 12.685 7.872 3.417 194 HG SER 25 HG SER 25 14.531 8.276 4.735 195 HB2 SER 25 2HB SER 25 12.569 9.570 5.220 196 HB3 SER 25 1HB SER 25 12.220 8.289 6.381 197 H THR 26 HN THR 26 10.307 5.982 4.928 198 HA THR 26 HA THR 26 12.265 3.813 5.321 199 HB THR 26 HB THR 26 11.433 4.526 7.482 200 HG1 THR 26 1HG THR 26 11.744 2.313 7.365 201 HG21 THR 26 3HG2 THR 26 8.669 3.906 6.441 202 HG22 THR 26 1HG2 THR 26 9.312 5.518 6.749 203 HG23 THR 26 2HG2 THR 26 9.080 4.393 8.085 204 H VAL 27 HN VAL 27 9.651 4.802 3.486 205 HA VAL 27 HA VAL 27 8.075 2.505 3.318 206 HB VAL 27 HB VAL 27 7.308 4.626 2.422 207 HG11 VAL 27 1HG1 VAL 27 9.376 4.255 0.259 208 HG12 VAL 27 2HG1 VAL 27 9.387 5.493 1.516 209 HG13 VAL 27 3HG1 VAL 27 8.126 5.499 0.284 210 HG21 VAL 27 3HG2 VAL 27 6.331 3.824 0.316 211 HG22 VAL 27 1HG2 VAL 27 6.264 2.601 1.584 212 HG23 VAL 27 2HG2 VAL 27 7.473 2.480 0.308 213 H ASP 28 HN ASP 28 10.925 3.429 1.400 214 HA ASP 28 HA ASP 28 10.761 1.160 -0.318 215 HB2 ASP 28 2HB ASP 28 12.990 1.817 -1.092 216 HB3 ASP 28 1HB ASP 28 11.921 3.212 -1.009 217 H ASP 29 HN ASP 29 12.262 1.804 2.754 218 HA ASP 29 HA ASP 29 13.949 -0.503 2.768 219 HB2 ASP 29 2HB ASP 29 14.393 1.510 4.150 220 HB3 ASP 29 1HB ASP 29 12.950 1.160 5.094 221 H TRP 30 HN TRP 30 10.735 0.275 3.953 222 HA TRP 30 HA TRP 30 10.214 -2.181 5.248 223 HD1 TRP 30 1HD TRP 30 7.985 -2.087 7.317 224 HE1 TRP 30 1HE TRP 30 5.811 -3.472 7.313 225 HE3 TRP 30 3HE TRP 30 6.559 -1.344 2.460 226 HZ2 TRP 30 2HZ TRP 30 3.772 -4.151 5.493 227 HZ3 TRP 30 3HZ TRP 30 4.483 -2.401 1.668 228 HH2 TRP 30 2HH TRP 30 3.120 -3.775 3.156 229 HB2 TRP 30 2HB TRP 30 8.848 -0.151 5.592 230 HB3 TRP 30 1HB TRP 30 8.270 -0.264 3.934 231 H ILE 31 HN ILE 31 9.586 -1.028 1.949 232 HA ILE 31 HA ILE 31 8.388 -3.343 0.921 233 HB ILE 31 HB ILE 31 10.168 -1.349 -0.501 234 HG12 ILE 31 2HG1 ILE 31 7.151 -1.505 -0.421 235 HG13 ILE 31 1HG1 ILE 31 8.099 -0.467 0.639 236 HG21 ILE 31 1HG2 ILE 31 9.986 -3.422 -1.770 237 HG22 ILE 31 2HG2 ILE 31 9.081 -2.129 -2.557 238 HG23 ILE 31 3HG2 ILE 31 8.229 -3.365 -1.635 239 HD11 ILE 31 3HD1 ILE 31 8.983 0.708 -1.309 240 HD12 ILE 31 1HD1 ILE 31 7.220 0.772 -1.244 241 HD13 ILE 31 2HD1 ILE 31 8.022 -0.330 -2.365 242 H LYS 32 HN LYS 32 11.777 -2.418 1.212 243 HA LYS 32 HA LYS 32 12.935 -4.645 -0.031 244 HB2 LYS 32 2HB LYS 32 14.333 -2.802 0.362 245 HB3 LYS 32 1HB LYS 32 13.844 -2.670 2.040 246 HG2 LYS 32 2HG LYS 32 15.320 -5.108 1.211 247 HG3 LYS 32 1HG LYS 32 16.207 -3.590 1.334 248 HD2 LYS 32 2HD LYS 32 15.343 -3.323 3.640 249 HD3 LYS 32 1HD LYS 32 14.578 -4.904 3.499 250 HE2 LYS 32 2HE LYS 32 16.670 -5.123 4.684 251 HE3 LYS 32 1HE LYS 32 16.797 -5.908 3.109 252 HZ1 LYS 32 3HZ LYS 32 18.750 -4.536 3.729 253 HZ2 LYS 32 1HZ LYS 32 17.766 -3.157 3.674 254 HZ3 LYS 32 2HZ LYS 32 18.033 -4.068 2.267 255 H ARG 33 HN ARG 33 11.560 -4.222 3.138 256 HA ARG 33 HA ARG 33 12.773 -6.582 4.262 257 HE ARG 33 HE ARG 33 8.985 -6.225 6.479 258 HB2 ARG 33 2HB ARG 33 11.982 -4.418 5.460 259 HB3 ARG 33 1HB ARG 33 10.392 -5.153 5.403 260 HG2 ARG 33 2HG ARG 33 12.746 -6.569 6.601 261 HG3 ARG 33 1HG ARG 33 11.752 -5.448 7.528 262 HD2 ARG 33 2HD ARG 33 10.730 -7.894 6.090 263 HD3 ARG 33 1HD ARG 33 11.086 -7.810 7.815 264 HH11 ARG 33 1HH1 ARG 33 10.261 -7.928 9.250 265 HH12 ARG 33 2HH1 ARG 33 8.831 -7.702 10.210 266 HH21 ARG 33 1HH2 ARG 33 7.095 -5.915 7.742 267 HH22 ARG 33 2HH2 ARG 33 7.031 -6.547 9.360 268 H VAL 34 HN VAL 34 9.580 -5.664 3.049 269 HA VAL 34 HA VAL 34 8.513 -8.283 3.698 270 HB VAL 34 HB VAL 34 6.376 -7.437 2.816 271 HG11 VAL 34 1HG1 VAL 34 6.018 -5.724 4.532 272 HG12 VAL 34 2HG1 VAL 34 7.764 -5.587 4.748 273 HG13 VAL 34 3HG1 VAL 34 6.939 -7.095 5.150 274 HG21 VAL 34 3HG2 VAL 34 7.911 -4.896 2.277 275 HG22 VAL 34 1HG2 VAL 34 6.159 -5.071 2.188 276 HG23 VAL 34 2HG2 VAL 34 7.193 -5.956 1.065 277 H GLY 35 HN GLY 35 9.330 -6.471 0.756 278 HA2 GLY 35 2HA GLY 35 9.853 -7.318 -1.329 279 HA3 GLY 35 1HA GLY 35 9.463 -8.929 -0.745 280 H ASP 36 HN ASP 36 6.945 -8.752 0.065 281 HA ASP 36 HA ASP 36 5.451 -7.917 -2.315 282 HB2 ASP 36 2HB ASP 36 5.105 -10.473 -0.728 283 HB3 ASP 36 1HB ASP 36 4.166 -9.987 -2.129 284 H GLY 37 HN GLY 37 3.578 -6.858 -1.927 285 HA2 GLY 37 2HA GLY 37 1.810 -7.092 0.152 286 HA3 GLY 37 1HA GLY 37 3.041 -5.992 0.758 287 H VAL 38 HN VAL 38 0.993 -4.615 0.825 288 HA VAL 38 HA VAL 38 0.842 -3.119 -1.691 289 HB VAL 38 HB VAL 38 -1.628 -2.785 -1.312 290 HG11 VAL 38 1HG1 VAL 38 -0.710 -5.597 -1.900 291 HG12 VAL 38 2HG1 VAL 38 -0.798 -4.265 -3.054 292 HG13 VAL 38 3HG1 VAL 38 -2.275 -4.909 -2.335 293 HG21 VAL 38 3HG2 VAL 38 -2.819 -4.459 0.012 294 HG22 VAL 38 1HG2 VAL 38 -1.734 -3.496 1.017 295 HG23 VAL 38 2HG2 VAL 38 -1.280 -5.135 0.547 296 H ILE 39 HN ILE 39 0.821 -0.976 -1.478 297 HA ILE 39 HA ILE 39 0.645 0.135 1.240 298 HB ILE 39 HB ILE 39 2.020 1.188 -1.234 299 HG12 ILE 39 2HG1 ILE 39 3.939 1.389 0.438 300 HG13 ILE 39 1HG1 ILE 39 2.947 0.447 1.543 301 HG21 ILE 39 1HG2 ILE 39 2.546 3.235 0.012 302 HG22 ILE 39 2HG2 ILE 39 1.505 2.693 1.327 303 HG23 ILE 39 3HG2 ILE 39 0.811 3.056 -0.254 304 HD11 ILE 39 3HD1 ILE 39 2.923 -1.395 -0.060 305 HD12 ILE 39 1HD1 ILE 39 4.563 -0.953 0.416 306 HD13 ILE 39 2HD1 ILE 39 3.935 -0.448 -1.154 307 H LEU 40 HN LEU 40 -1.071 1.315 1.750 308 HA LEU 40 HA LEU 40 -2.977 1.953 -0.382 309 HG LEU 40 HG LEU 40 -3.046 -0.335 1.918 310 HB2 LEU 40 2HB LEU 40 -3.364 1.975 2.614 311 HB3 LEU 40 1HB LEU 40 -4.619 2.190 1.410 312 HD11 LEU 40 1HD1 LEU 40 -4.701 0.096 3.608 313 HD12 LEU 40 2HD1 LEU 40 -5.207 -1.244 2.577 314 HD13 LEU 40 3HD1 LEU 40 -5.930 0.351 2.368 315 HD21 LEU 40 3HD2 LEU 40 -3.521 -0.068 -0.464 316 HD22 LEU 40 1HD2 LEU 40 -5.225 0.196 -0.094 317 HD23 LEU 40 2HD2 LEU 40 -4.484 -1.368 0.244 318 H LEU 41 HN LEU 41 -3.158 3.978 -1.104 319 HA LEU 41 HA LEU 41 -1.809 6.129 0.263 320 HG LEU 41 HG LEU 41 -1.321 5.014 -2.580 321 HB2 LEU 41 2HB LEU 41 -3.494 6.089 -2.237 322 HB3 LEU 41 1HB LEU 41 -2.699 7.521 -1.614 323 HD11 LEU 41 1HD1 LEU 41 -0.525 6.439 -4.399 324 HD12 LEU 41 2HD1 LEU 41 -1.485 7.780 -3.771 325 HD13 LEU 41 3HD1 LEU 41 -2.285 6.334 -4.387 326 HD21 LEU 41 3HD2 LEU 41 0.749 6.277 -2.286 327 HD22 LEU 41 1HD2 LEU 41 -0.094 6.073 -0.752 328 HD23 LEU 41 2HD2 LEU 41 -0.161 7.620 -1.595 329 H SER 42 HN SER 42 -2.870 8.157 0.756 330 HA SER 42 HA SER 42 -5.052 7.800 2.490 331 HG SER 42 HG SER 42 -4.807 10.407 3.924 332 HB2 SER 42 2HB SER 42 -3.309 9.552 2.761 333 HB3 SER 42 1HB SER 42 -3.958 10.383 1.350 334 H SER 43 HN SER 43 -7.188 8.106 2.230 335 HA SER 43 HA SER 43 -8.121 8.545 -0.508 336 HG SER 43 HG SER 43 -7.693 6.317 0.494 337 HB2 SER 43 2HB SER 43 -9.610 7.430 1.879 338 HB3 SER 43 1HB SER 43 -10.170 7.438 0.204 339 H ASP 44 HN ASP 44 -7.341 10.598 1.618 340 HA ASP 44 HA ASP 44 -9.590 12.026 2.452 341 HB2 ASP 44 2HB ASP 44 -7.357 12.511 3.314 342 HB3 ASP 44 1HB ASP 44 -6.846 13.081 1.729 343 HA PRO 45 HA PRO 45 -9.610 14.448 -1.657 344 HB2 PRO 45 2HB PRO 45 -7.891 13.903 -3.630 345 HB3 PRO 45 1HB PRO 45 -7.414 14.905 -2.252 346 HG2 PRO 45 2HG PRO 45 -6.838 12.015 -2.786 347 HG3 PRO 45 1HG PRO 45 -5.762 13.272 -2.150 348 HD2 PRO 45 2HD PRO 45 -7.083 11.421 -0.598 349 HD3 PRO 45 1HD PRO 45 -6.518 12.997 -0.016 350 H ARG 46 HN ARG 46 -11.059 12.190 -1.143 351 HA ARG 46 HA ARG 46 -11.021 10.365 -3.359 352 HE ARG 46 HE ARG 46 -14.068 6.591 -2.858 353 HB2 ARG 46 2HB ARG 46 -11.729 9.723 -1.051 354 HB3 ARG 46 1HB ARG 46 -13.176 10.701 -1.272 355 HG2 ARG 46 2HG ARG 46 -13.786 9.291 -3.208 356 HG3 ARG 46 1HG ARG 46 -12.388 8.271 -2.866 357 HD2 ARG 46 2HD ARG 46 -13.331 7.901 -0.577 358 HD3 ARG 46 1HD ARG 46 -14.788 8.742 -1.110 359 HH11 ARG 46 1HH1 ARG 46 -15.670 7.365 0.158 360 HH12 ARG 46 2HH1 ARG 46 -16.645 5.927 0.165 361 HH21 ARG 46 1HH2 ARG 46 -15.376 4.717 -2.883 362 HH22 ARG 46 2HH2 ARG 46 -16.490 4.434 -1.583 363 H ARG 47 HN ARG 47 -11.412 11.430 -5.242 364 HA ARG 47 HA ARG 47 -14.183 12.388 -5.578 365 HE ARG 47 HE ARG 47 -13.153 16.187 -3.936 366 HB2 ARG 47 2HB ARG 47 -11.641 13.228 -6.962 367 HB3 ARG 47 1HB ARG 47 -13.204 13.458 -7.731 368 HG2 ARG 47 2HG ARG 47 -12.754 15.499 -6.715 369 HG3 ARG 47 1HG ARG 47 -13.868 14.706 -5.603 370 HD2 ARG 47 2HD ARG 47 -11.840 13.928 -4.323 371 HD3 ARG 47 1HD ARG 47 -10.887 15.013 -5.335 372 HH11 ARG 47 1HH1 ARG 47 -9.687 15.774 -4.160 373 HH12 ARG 47 2HH1 ARG 47 -9.341 16.956 -2.927 374 HH21 ARG 47 1HH2 ARG 47 -12.715 17.755 -2.347 375 HH22 ARG 47 2HH2 ARG 47 -11.073 18.099 -1.905 376 H THR 48 HN THR 48 -13.034 9.697 -5.578 377 HA THR 48 HA THR 48 -13.403 8.887 -8.378 378 HB THR 48 HB THR 48 -12.068 7.202 -6.270 379 HG1 THR 48 1HG THR 48 -10.707 9.054 -7.965 380 HG21 THR 48 3HG2 THR 48 -12.620 6.173 -8.435 381 HG22 THR 48 1HG2 THR 48 -10.877 6.292 -8.199 382 HG23 THR 48 2HG2 THR 48 -11.702 7.432 -9.260 383 HA PRO 49 HA PRO 49 -17.002 6.966 -6.469 384 HB2 PRO 49 2HB PRO 49 -18.629 7.344 -8.602 385 HB3 PRO 49 1HB PRO 49 -18.202 8.629 -7.470 386 HG2 PRO 49 2HG PRO 49 -17.413 8.294 -10.253 387 HG3 PRO 49 1HG PRO 49 -17.224 9.707 -9.206 388 HD2 PRO 49 2HD PRO 49 -15.269 7.640 -9.901 389 HD3 PRO 49 1HD PRO 49 -15.005 9.223 -9.141 390 H GLU 50 HN GLU 50 -17.356 4.872 -6.306 391 HA GLU 50 HA GLU 50 -18.020 2.773 -6.765 392 HB2 GLU 50 2HB GLU 50 -18.891 4.064 -9.345 393 HB3 GLU 50 1HB GLU 50 -19.267 2.399 -8.916 394 HG2 GLU 50 2HG GLU 50 -20.258 3.412 -6.766 395 HG3 GLU 50 1HG GLU 50 -20.234 4.934 -7.659 396 H VAL 51 HN VAL 51 -15.282 3.229 -7.216 397 HA VAL 51 HA VAL 51 -14.850 0.968 -9.033 398 HB VAL 51 HB VAL 51 -12.680 1.935 -9.772 399 HG11 VAL 51 1HG1 VAL 51 -14.642 2.047 -11.221 400 HG12 VAL 51 2HG1 VAL 51 -13.605 3.455 -11.439 401 HG13 VAL 51 3HG1 VAL 51 -15.092 3.591 -10.502 402 HG21 VAL 51 3HG2 VAL 51 -13.736 4.469 -8.530 403 HG22 VAL 51 1HG2 VAL 51 -12.289 4.333 -9.529 404 HG23 VAL 51 2HG2 VAL 51 -12.359 3.528 -7.962 405 H SER 52 HN SER 52 -12.181 0.580 -8.674 406 HA SER 52 HA SER 52 -12.129 -0.371 -5.954 407 HG SER 52 HG SER 52 -12.360 -1.641 -8.087 408 HB2 SER 52 2HB SER 52 -9.948 -0.539 -8.041 409 HB3 SER 52 1HB SER 52 -10.113 -1.528 -6.591 410 H ASP 53 HN ASP 53 -12.112 1.644 -4.826 411 HA ASP 53 HA ASP 53 -9.373 2.633 -4.511 412 HB2 ASP 53 2HB ASP 53 -9.950 4.901 -4.528 413 HB3 ASP 53 1HB ASP 53 -10.909 4.254 -5.852 414 H ASN 54 HN ASN 54 -9.589 4.239 -2.399 415 HA ASN 54 HA ASN 54 -9.824 4.345 -0.141 416 HB2 ASN 54 2HB ASN 54 -12.176 2.626 -0.772 417 HB3 ASN 54 1HB ASN 54 -11.598 2.636 0.889 418 HD21 ASN 54 1HD2 ASN 54 -11.568 5.313 -1.406 419 HD22 ASN 54 2HD2 ASN 54 -12.668 6.304 -0.517 420 HA PRO 55 HA PRO 55 -7.231 1.068 1.299 421 HB2 PRO 55 2HB PRO 55 -8.032 1.544 4.058 422 HB3 PRO 55 1HB PRO 55 -6.503 1.928 3.267 423 HG2 PRO 55 2HG PRO 55 -8.259 3.830 4.075 424 HG3 PRO 55 1HG PRO 55 -7.188 4.037 2.676 425 HD2 PRO 55 2HD PRO 55 -10.091 3.289 2.751 426 HD3 PRO 55 1HD PRO 55 -9.245 4.411 1.662 427 H VAL 56 HN VAL 56 -10.584 1.118 2.080 428 HA VAL 56 HA VAL 56 -10.615 -1.440 3.397 429 HB VAL 56 HB VAL 56 -13.080 -1.230 3.299 430 HG11 VAL 56 1HG1 VAL 56 -13.256 0.719 4.784 431 HG12 VAL 56 2HG1 VAL 56 -11.640 1.227 4.293 432 HG13 VAL 56 3HG1 VAL 56 -11.858 -0.282 5.178 433 HG21 VAL 56 3HG2 VAL 56 -13.301 -0.050 1.182 434 HG22 VAL 56 1HG2 VAL 56 -12.509 1.366 1.873 435 HG23 VAL 56 2HG2 VAL 56 -14.085 0.856 2.478 436 H MET 57 HN MET 57 -11.840 -3.253 2.600 437 HA MET 57 HA MET 57 -12.576 -4.774 1.073 438 HB2 MET 57 2HB MET 57 -13.572 -2.938 -0.251 439 HB3 MET 57 1HB MET 57 -12.029 -2.694 -1.055 440 HG2 MET 57 2HG MET 57 -12.162 -4.923 -2.016 441 HG3 MET 57 1HG MET 57 -13.689 -5.201 -1.181 442 HE1 MET 57 3HE MET 57 -13.116 -2.085 -4.543 443 HE2 MET 57 1HE MET 57 -11.840 -3.167 -3.983 444 HE3 MET 57 2HE MET 57 -12.441 -1.889 -2.926 445 H ILE 58 HN ILE 58 -9.573 -3.235 1.094 446 HA ILE 58 HA ILE 58 -8.173 -4.965 -0.683 447 HB ILE 58 HB ILE 58 -7.362 -2.990 1.408 448 HG12 ILE 58 2HG1 ILE 58 -6.012 -2.115 -0.514 449 HG13 ILE 58 1HG1 ILE 58 -6.700 -3.384 -1.517 450 HG21 ILE 58 1HG2 ILE 58 -4.990 -3.528 1.104 451 HG22 ILE 58 2HG2 ILE 58 -5.439 -4.957 0.172 452 HG23 ILE 58 3HG2 ILE 58 -5.872 -4.844 1.879 453 HD11 ILE 58 3HD1 ILE 58 -8.191 -1.146 -0.171 454 HD12 ILE 58 1HD1 ILE 58 -8.938 -2.449 -1.094 455 HD13 ILE 58 2HD1 ILE 58 -7.852 -1.312 -1.894 456 H ALA 59 HN ALA 59 -9.114 -5.151 2.676 457 HA ALA 59 HA ALA 59 -7.376 -7.196 3.518 458 HB1 ALA 59 1HB ALA 59 -10.169 -6.576 4.470 459 HB2 ALA 59 2HB ALA 59 -8.678 -5.853 5.076 460 HB3 ALA 59 3HB ALA 59 -8.987 -7.573 5.320 461 H GLU 60 HN GLU 60 -10.778 -7.444 2.452 462 HA GLU 60 HA GLU 60 -10.814 -10.244 2.285 463 HB2 GLU 60 2HB GLU 60 -12.740 -9.681 0.558 464 HB3 GLU 60 1HB GLU 60 -12.941 -9.468 2.290 465 HG2 GLU 60 2HG GLU 60 -11.954 -7.180 0.671 466 HG3 GLU 60 1HG GLU 60 -13.661 -7.611 0.607 467 H LEU 61 HN LEU 61 -9.698 -7.826 0.045 468 HA LEU 61 HA LEU 61 -9.650 -9.283 -2.338 469 HG LEU 61 HG LEU 61 -7.950 -6.453 -3.846 470 HB2 LEU 61 2HB LEU 61 -9.093 -6.820 -1.860 471 HB3 LEU 61 1HB LEU 61 -7.488 -7.378 -1.478 472 HD11 LEU 61 1HD1 LEU 61 -6.563 -9.097 -3.450 473 HD12 LEU 61 2HD1 LEU 61 -5.855 -7.497 -3.226 474 HD13 LEU 61 3HD1 LEU 61 -6.346 -8.026 -4.835 475 HD21 LEU 61 3HD2 LEU 61 -9.963 -7.765 -4.267 476 HD22 LEU 61 1HD2 LEU 61 -9.024 -9.252 -4.143 477 HD23 LEU 61 2HD2 LEU 61 -8.708 -8.116 -5.455 478 H LEU 62 HN LEU 62 -7.323 -9.060 0.261 479 HA LEU 62 HA LEU 62 -5.108 -10.260 -0.798 480 HG LEU 62 HG LEU 62 -5.771 -8.169 1.410 481 HB2 LEU 62 2HB LEU 62 -6.144 -10.509 2.015 482 HB3 LEU 62 1HB LEU 62 -4.515 -10.913 1.516 483 HD11 LEU 62 1HD1 LEU 62 -3.606 -9.304 3.172 484 HD12 LEU 62 2HD1 LEU 62 -5.244 -8.886 3.674 485 HD13 LEU 62 3HD1 LEU 62 -4.135 -7.623 3.145 486 HD21 LEU 62 3HD2 LEU 62 -3.549 -7.390 0.762 487 HD22 LEU 62 1HD2 LEU 62 -4.206 -8.512 -0.431 488 HD23 LEU 62 2HD2 LEU 62 -2.976 -9.059 0.708 489 H ARG 63 HN ARG 63 -8.004 -11.940 0.276 490 HA ARG 63 HA ARG 63 -6.721 -14.493 0.520 491 HE ARG 63 HE ARG 63 -12.408 -12.376 0.504 492 HB2 ARG 63 2HB ARG 63 -8.949 -15.411 0.827 493 HB3 ARG 63 1HB ARG 63 -8.754 -13.957 1.797 494 HG2 ARG 63 2HG ARG 63 -9.999 -12.678 0.140 495 HG3 ARG 63 1HG ARG 63 -10.173 -14.126 -0.852 496 HD2 ARG 63 2HD ARG 63 -11.540 -15.180 0.777 497 HD3 ARG 63 1HD ARG 63 -11.170 -13.944 1.980 498 HH11 ARG 63 1HH1 ARG 63 -13.044 -15.819 0.277 499 HH12 ARG 63 2HH1 ARG 63 -14.678 -15.593 -0.273 500 HH21 ARG 63 1HH2 ARG 63 -14.569 -12.102 -0.215 501 HH22 ARG 63 2HH2 ARG 63 -15.538 -13.505 -0.548 502 H GLU 64 HN GLU 64 -7.374 -12.717 -2.176 503 HA GLU 64 HA GLU 64 -8.291 -14.850 -3.886 504 HB2 GLU 64 2HB GLU 64 -8.226 -12.069 -4.045 505 HB3 GLU 64 1HB GLU 64 -7.036 -12.586 -5.228 506 HG2 GLU 64 2HG GLU 64 -9.914 -13.470 -5.130 507 HG3 GLU 64 1HG GLU 64 -9.243 -12.255 -6.214 508 H PHE 65 HN PHE 65 -5.256 -13.496 -2.838 509 HA PHE 65 HA PHE 65 -3.848 -15.186 -4.799 510 HD1 PHE 65 2HD PHE 65 -4.316 -13.958 -6.679 511 HD2 PHE 65 1HD PHE 65 -3.370 -10.588 -4.266 512 HE1 PHE 65 2HE PHE 65 -5.578 -12.514 -8.214 513 HE2 PHE 65 1HE PHE 65 -4.644 -9.137 -5.791 514 HZ PHE 65 HZ PHE 65 -5.746 -10.100 -7.773 515 HB2 PHE 65 2HB PHE 65 -2.708 -12.671 -3.572 516 HB3 PHE 65 1HB PHE 65 -2.087 -13.582 -4.944 517 HA PRO 66 HA PRO 66 -2.335 -16.731 -0.771 518 HB2 PRO 66 2HB PRO 66 -2.759 -19.340 -1.211 519 HB3 PRO 66 1HB PRO 66 -4.075 -18.264 -0.727 520 HG2 PRO 66 2HG PRO 66 -3.463 -19.434 -3.386 521 HG3 PRO 66 1HG PRO 66 -5.029 -19.025 -2.671 522 HD2 PRO 66 2HD PRO 66 -3.563 -17.488 -4.532 523 HD3 PRO 66 1HD PRO 66 -4.998 -16.973 -3.628 524 H GLN 67 HN GLN 67 -0.788 -15.882 -2.946 525 HA GLN 67 HA GLN 67 0.935 -18.046 -3.808 526 HB2 GLN 67 2HB GLN 67 1.356 -15.088 -4.240 527 HB3 GLN 67 1HB GLN 67 2.012 -16.416 -5.182 528 HG2 GLN 67 2HG GLN 67 -0.891 -15.635 -5.056 529 HG3 GLN 67 1HG GLN 67 0.227 -15.216 -6.349 530 HE21 GLN 67 1HE2 GLN 67 0.974 -16.843 -7.728 531 HE22 GLN 67 2HE2 GLN 67 0.129 -18.353 -7.894 532 H PHE 68 HN PHE 68 1.044 -15.224 -1.723 533 HA PHE 68 HA PHE 68 3.210 -16.319 -0.181 534 HD1 PHE 68 1HD PHE 68 2.446 -12.349 -1.554 535 HD2 PHE 68 2HD PHE 68 4.727 -15.223 -3.689 536 HE1 PHE 68 1HE PHE 68 1.932 -11.193 -3.666 537 HE2 PHE 68 2HE PHE 68 4.225 -14.078 -5.799 538 HZ PHE 68 HZ PHE 68 2.824 -12.056 -5.789 539 HB2 PHE 68 2HB PHE 68 4.264 -13.834 -0.474 540 HB3 PHE 68 1HB PHE 68 4.800 -15.237 -1.386 541 H ASP 69 HN ASP 69 3.829 -14.365 1.499 542 HA ASP 69 HA ASP 69 1.263 -13.798 2.759 543 HB2 ASP 69 2HB ASP 69 3.008 -14.776 4.166 544 HB3 ASP 69 1HB ASP 69 4.086 -13.435 3.790 545 H TRP 70 HN TRP 70 0.293 -12.012 2.072 546 HA TRP 70 HA TRP 70 1.808 -9.702 1.229 547 HD1 TRP 70 1HD TRP 70 -0.267 -12.501 0.037 548 HE1 TRP 70 1HE TRP 70 -0.215 -12.758 -2.522 549 HE3 TRP 70 3HE TRP 70 -0.317 -7.561 -1.271 550 HZ2 TRP 70 2HZ TRP 70 -0.221 -11.086 -4.794 551 HZ3 TRP 70 3HZ TRP 70 -0.294 -6.975 -3.662 552 HH2 TRP 70 2HH TRP 70 -0.246 -8.702 -5.383 553 HB2 TRP 70 2HB TRP 70 -1.164 -10.136 1.489 554 HB3 TRP 70 1HB TRP 70 -0.422 -8.689 0.832 555 H GLN 71 HN GLN 71 2.036 -7.842 2.279 556 HA GLN 71 HA GLN 71 0.837 -7.616 4.954 557 HB2 GLN 71 2HB GLN 71 3.526 -6.478 4.183 558 HB3 GLN 71 1HB GLN 71 2.831 -6.597 5.795 559 HG2 GLN 71 2HG GLN 71 2.830 -9.187 5.123 560 HG3 GLN 71 1HG GLN 71 4.197 -8.636 4.161 561 HE21 GLN 71 1HE2 GLN 71 4.192 -10.435 6.402 562 HE22 GLN 71 2HE2 GLN 71 5.200 -9.721 7.616 563 H VAL 72 HN VAL 72 0.030 -5.591 5.517 564 HA VAL 72 HA VAL 72 -0.271 -3.796 3.198 565 HB VAL 72 HB VAL 72 -2.241 -4.150 5.461 566 HG11 VAL 72 1HG1 VAL 72 -2.468 -2.738 2.803 567 HG12 VAL 72 2HG1 VAL 72 -2.363 -1.973 4.389 568 HG13 VAL 72 3HG1 VAL 72 -3.775 -2.941 3.969 569 HG21 VAL 72 3HG2 VAL 72 -2.108 -6.215 4.192 570 HG22 VAL 72 1HG2 VAL 72 -2.300 -5.326 2.680 571 HG23 VAL 72 2HG2 VAL 72 -3.626 -5.387 3.843 572 H ALA 73 HN ALA 73 0.284 -1.733 3.409 573 HA ALA 73 HA ALA 73 0.572 -0.614 6.112 574 HB1 ALA 73 1HB ALA 73 2.574 -0.292 3.872 575 HB2 ALA 73 2HB ALA 73 2.801 -1.255 5.332 576 HB3 ALA 73 3HB ALA 73 2.646 0.497 5.446 577 H VAL 74 HN VAL 74 0.202 1.641 6.240 578 HA VAL 74 HA VAL 74 -1.041 2.826 3.844 579 HB VAL 74 HB VAL 74 -2.246 3.074 6.600 580 HG11 VAL 74 1HG1 VAL 74 -4.241 3.802 5.379 581 HG12 VAL 74 2HG1 VAL 74 -3.365 3.634 3.856 582 HG13 VAL 74 3HG1 VAL 74 -2.854 4.837 5.041 583 HG21 VAL 74 3HG2 VAL 74 -2.327 0.726 5.981 584 HG22 VAL 74 1HG2 VAL 74 -3.045 1.147 4.426 585 HG23 VAL 74 2HG2 VAL 74 -3.937 1.442 5.919 586 H ALA 75 HN ALA 75 -1.251 5.150 3.936 587 HA ALA 75 HA ALA 75 0.539 6.457 5.877 588 HB1 ALA 75 1HB ALA 75 0.056 7.212 2.995 589 HB2 ALA 75 2HB ALA 75 1.529 6.502 3.656 590 HB3 ALA 75 3HB ALA 75 1.037 8.124 4.140 591 H ASP 76 HN ASP 76 -0.197 8.401 6.777 592 HA ASP 76 HA ASP 76 -3.021 8.568 7.033 593 HB2 ASP 76 2HB ASP 76 -2.459 10.701 8.364 594 HB3 ASP 76 1HB ASP 76 -1.883 9.163 8.983 595 H LEU 77 HN LEU 77 -0.795 11.116 6.014 596 HA LEU 77 HA LEU 77 -2.223 11.684 3.623 597 HG LEU 77 HG LEU 77 -2.544 12.789 7.056 598 HB2 LEU 77 2HB LEU 77 -2.747 14.100 4.361 599 HB3 LEU 77 1HB LEU 77 -3.852 12.818 4.808 600 HD11 LEU 77 1HD1 LEU 77 -0.722 14.257 6.351 601 HD12 LEU 77 2HD1 LEU 77 -1.618 14.938 7.711 602 HD13 LEU 77 3HD1 LEU 77 -1.879 15.563 6.081 603 HD21 LEU 77 3HD2 LEU 77 -4.368 15.070 6.310 604 HD22 LEU 77 1HD2 LEU 77 -4.034 14.506 7.948 605 HD23 LEU 77 2HD2 LEU 77 -4.869 13.451 6.806 606 H GLU 78 HN GLU 78 0.149 12.558 6.028 607 HA GLU 78 HA GLU 78 1.577 14.463 4.504 608 HB2 GLU 78 2HB GLU 78 1.796 14.211 6.947 609 HB3 GLU 78 1HB GLU 78 2.526 12.629 6.714 610 HG2 GLU 78 2HG GLU 78 4.276 14.153 7.157 611 HG3 GLU 78 1HG GLU 78 4.352 13.753 5.443 612 H GLN 79 HN GLN 79 2.120 11.011 5.104 613 HA GLN 79 HA GLN 79 4.445 10.923 3.451 614 HB2 GLN 79 2HB GLN 79 2.829 8.526 4.300 615 HB3 GLN 79 1HB GLN 79 4.540 8.602 3.921 616 HG2 GLN 79 2HG GLN 79 4.522 8.436 6.223 617 HG3 GLN 79 1HG GLN 79 4.693 10.172 5.961 618 HE21 GLN 79 1HE2 GLN 79 3.803 10.669 7.968 619 HE22 GLN 79 2HE2 GLN 79 2.109 10.481 8.300 620 H SER 80 HN SER 80 1.049 10.122 3.026 621 HA SER 80 HA SER 80 1.273 8.735 0.603 622 HG SER 80 HG SER 80 -1.156 11.357 1.498 623 HB2 SER 80 2HB SER 80 -1.153 9.463 0.296 624 HB3 SER 80 1HB SER 80 -0.777 8.558 1.760 625 H GLU 81 HN GLU 81 1.013 12.184 1.284 626 HA GLU 81 HA GLU 81 0.689 13.088 -1.354 627 HB2 GLU 81 2HB GLU 81 0.337 14.535 0.579 628 HB3 GLU 81 1HB GLU 81 2.031 14.401 1.013 629 HG2 GLU 81 2HG GLU 81 1.562 16.537 -0.028 630 HG3 GLU 81 1HG GLU 81 2.665 15.580 -1.013 631 H ALA 82 HN ALA 82 3.552 12.384 0.573 632 HA ALA 82 HA ALA 82 5.416 13.185 -1.432 633 HB1 ALA 82 1HB ALA 82 5.825 11.438 0.995 634 HB2 ALA 82 2HB ALA 82 6.006 13.192 0.937 635 HB3 ALA 82 3HB ALA 82 7.098 12.161 0.012 636 H ILE 83 HN ILE 83 4.239 10.037 -0.276 637 HA ILE 83 HA ILE 83 5.844 8.422 -1.905 638 HB ILE 83 HB ILE 83 3.140 7.863 -0.680 639 HG12 ILE 83 2HG1 ILE 83 5.929 7.019 0.137 640 HG13 ILE 83 1HG1 ILE 83 5.009 8.318 0.887 641 HG21 ILE 83 1HG2 ILE 83 5.060 5.910 -1.951 642 HG22 ILE 83 2HG2 ILE 83 3.484 6.381 -2.586 643 HG23 ILE 83 3HG2 ILE 83 3.590 5.489 -1.069 644 HD11 ILE 83 3HD1 ILE 83 4.244 5.407 0.854 645 HD12 ILE 83 1HD1 ILE 83 3.328 6.710 1.613 646 HD13 ILE 83 2HD1 ILE 83 4.930 6.289 2.217 647 H GLY 84 HN GLY 84 2.524 9.614 -2.456 648 HA2 GLY 84 2HA GLY 84 2.075 8.252 -4.870 649 HA3 GLY 84 1HA GLY 84 1.270 9.735 -4.380 650 H ASP 85 HN ASP 85 3.356 11.500 -4.284 651 HA ASP 85 HA ASP 85 3.729 12.105 -7.039 652 HB2 ASP 85 2HB ASP 85 3.479 13.809 -5.248 653 HB3 ASP 85 1HB ASP 85 5.061 13.357 -4.637 654 H ARG 86 HN ARG 86 5.687 10.661 -4.548 655 HA ARG 86 HA ARG 86 8.213 10.713 -5.756 656 HE ARG 86 HE ARG 86 11.454 7.771 -3.492 657 HB2 ARG 86 2HB ARG 86 7.970 10.096 -3.446 658 HB3 ARG 86 1HB ARG 86 6.935 8.740 -3.860 659 HG2 ARG 86 2HG ARG 86 9.120 7.955 -3.230 660 HG3 ARG 86 1HG ARG 86 8.836 7.631 -4.939 661 HD2 ARG 86 2HD ARG 86 10.253 9.411 -5.603 662 HD3 ARG 86 1HD ARG 86 10.334 10.051 -3.962 663 HH11 ARG 86 1HH1 ARG 86 11.818 9.631 -6.444 664 HH12 ARG 86 2HH1 ARG 86 13.430 9.049 -6.749 665 HH21 ARG 86 1HH2 ARG 86 13.548 7.027 -3.873 666 HH22 ARG 86 2HH2 ARG 86 14.428 7.569 -5.273 667 H PHE 87 HN PHE 87 5.669 8.226 -5.905 668 HA PHE 87 HA PHE 87 7.189 6.744 -7.886 669 HD1 PHE 87 1HD PHE 87 7.423 4.073 -7.405 670 HD2 PHE 87 2HD PHE 87 5.190 5.978 -4.317 671 HE1 PHE 87 1HE PHE 87 8.688 2.813 -5.712 672 HE2 PHE 87 2HE PHE 87 6.453 4.719 -2.623 673 HZ PHE 87 HZ PHE 87 8.206 3.137 -3.318 674 HB2 PHE 87 2HB PHE 87 4.531 6.225 -6.555 675 HB3 PHE 87 1HB PHE 87 5.193 5.190 -7.814 676 H ASN 88 HN ASN 88 5.273 9.377 -7.990 677 HA ASN 88 HA ASN 88 4.363 10.586 -9.683 678 HB2 ASN 88 2HB ASN 88 5.478 8.453 -11.527 679 HB3 ASN 88 1HB ASN 88 4.970 10.070 -11.990 680 HD21 ASN 88 1HD2 ASN 88 6.182 11.296 -9.612 681 HD22 ASN 88 2HD2 ASN 88 7.890 11.292 -9.900 682 H VAL 89 HN VAL 89 2.805 8.487 -8.365 683 HA VAL 89 HA VAL 89 1.315 7.207 -10.511 684 HB VAL 89 HB VAL 89 0.940 6.912 -7.529 685 HG11 VAL 89 1HG1 VAL 89 -1.063 6.324 -8.785 686 HG12 VAL 89 2HG1 VAL 89 -0.307 4.884 -8.106 687 HG13 VAL 89 3HG1 VAL 89 -0.115 5.254 -9.819 688 HG21 VAL 89 3HG2 VAL 89 3.144 6.153 -8.192 689 HG22 VAL 89 1HG2 VAL 89 2.446 5.187 -9.493 690 HG23 VAL 89 2HG2 VAL 89 2.119 4.769 -7.812 691 H ARG 90 HN ARG 90 0.512 9.263 -11.293 692 HA ARG 90 HA ARG 90 -1.219 10.666 -11.707 693 HE ARG 90 HE ARG 90 -2.338 7.191 -14.656 694 HB2 ARG 90 2HB ARG 90 -2.765 8.576 -10.170 695 HB3 ARG 90 1HB ARG 90 -3.451 9.760 -11.274 696 HG2 ARG 90 2HG ARG 90 -1.593 7.494 -11.970 697 HG3 ARG 90 1HG ARG 90 -3.300 7.645 -12.393 698 HD2 ARG 90 2HD ARG 90 -2.796 9.605 -13.758 699 HD3 ARG 90 1HD ARG 90 -1.094 9.482 -13.317 700 HH11 ARG 90 1HH1 ARG 90 -0.082 9.875 -14.745 701 HH12 ARG 90 2HH1 ARG 90 0.595 9.411 -16.280 702 HH21 ARG 90 1HH2 ARG 90 -1.411 6.569 -16.664 703 HH22 ARG 90 2HH2 ARG 90 -0.146 7.547 -17.353 704 H ARG 91 HN ARG 91 -3.626 10.975 -10.027 705 HA ARG 91 HA ARG 91 -2.560 12.151 -7.585 706 HE ARG 91 HE ARG 91 0.076 15.377 -7.599 707 HB2 ARG 91 2HB ARG 91 -3.617 13.671 -9.889 708 HB3 ARG 91 1HB ARG 91 -4.204 14.168 -8.307 709 HG2 ARG 91 2HG ARG 91 -1.318 13.988 -9.159 710 HG3 ARG 91 1HG ARG 91 -2.258 15.467 -8.925 711 HD2 ARG 91 2HD ARG 91 -2.549 14.930 -6.570 712 HD3 ARG 91 1HD ARG 91 -1.675 13.418 -6.792 713 HH11 ARG 91 1HH1 ARG 91 -1.704 14.626 -4.678 714 HH12 ARG 91 2HH1 ARG 91 -0.515 15.304 -3.607 715 HH21 ARG 91 1HH2 ARG 91 1.648 16.305 -6.186 716 HH22 ARG 91 2HH2 ARG 91 1.361 16.291 -4.464 717 H PHE 92 HN PHE 92 -4.222 9.865 -8.056 718 HA PHE 92 HA PHE 92 -6.469 10.704 -6.393 719 HD1 PHE 92 2HD PHE 92 -7.435 6.945 -7.919 720 HD2 PHE 92 1HD PHE 92 -6.032 9.976 -10.552 721 HE1 PHE 92 2HE PHE 92 -6.812 5.225 -9.564 722 HE2 PHE 92 1HE PHE 92 -5.418 8.264 -12.204 723 HZ PHE 92 HZ PHE 92 -5.805 5.884 -11.713 724 HB2 PHE 92 2HB PHE 92 -8.054 9.286 -7.616 725 HB3 PHE 92 1HB PHE 92 -7.394 10.535 -8.662 726 HA PRO 93 HA PRO 93 -5.542 7.319 -3.751 727 HB2 PRO 93 2HB PRO 93 -7.999 6.020 -3.568 728 HB3 PRO 93 1HB PRO 93 -7.488 7.395 -2.586 729 HG2 PRO 93 2HG PRO 93 -9.195 7.344 -5.034 730 HG3 PRO 93 1HG PRO 93 -9.353 8.338 -3.573 731 HD2 PRO 93 2HD PRO 93 -8.361 9.361 -5.834 732 HD3 PRO 93 1HD PRO 93 -7.691 9.818 -4.254 733 H ALA 94 HN ALA 94 -4.458 5.526 -4.202 734 HA ALA 94 HA ALA 94 -5.575 3.471 -5.914 735 HB1 ALA 94 1HB ALA 94 -2.990 4.849 -6.640 736 HB2 ALA 94 2HB ALA 94 -4.507 4.958 -7.535 737 HB3 ALA 94 3HB ALA 94 -3.657 3.417 -7.424 738 H THR 95 HN THR 95 -4.926 1.512 -5.271 739 HA THR 95 HA THR 95 -3.098 1.244 -3.072 740 HB THR 95 HB THR 95 -4.402 -0.887 -4.780 741 HG1 THR 95 1HG THR 95 -6.021 -0.868 -3.229 742 HG21 THR 95 3HG2 THR 95 -4.004 -2.364 -2.871 743 HG22 THR 95 1HG2 THR 95 -3.195 -1.050 -2.015 744 HG23 THR 95 2HG2 THR 95 -2.486 -1.711 -3.488 745 H LEU 96 HN LEU 96 -0.949 0.817 -3.211 746 HA LEU 96 HA LEU 96 0.175 0.416 -5.874 747 HG LEU 96 HG LEU 96 2.452 2.943 -4.406 748 HB2 LEU 96 2HB LEU 96 1.465 0.976 -3.205 749 HB3 LEU 96 1HB LEU 96 2.384 0.595 -4.646 750 HD11 LEU 96 1HD1 LEU 96 2.117 2.210 -6.686 751 HD12 LEU 96 2HD1 LEU 96 1.303 3.751 -6.414 752 HD13 LEU 96 3HD1 LEU 96 0.367 2.256 -6.469 753 HD21 LEU 96 3HD2 LEU 96 0.456 4.346 -4.198 754 HD22 LEU 96 1HD2 LEU 96 0.616 3.232 -2.841 755 HD23 LEU 96 2HD2 LEU 96 -0.549 2.900 -4.121 756 H VAL 97 HN VAL 97 0.790 -1.488 -6.604 757 HA VAL 97 HA VAL 97 0.602 -3.757 -4.768 758 HB VAL 97 HB VAL 97 0.713 -3.827 -7.785 759 HG11 VAL 97 1HG1 VAL 97 -0.041 -5.912 -5.739 760 HG12 VAL 97 2HG1 VAL 97 1.407 -5.905 -6.747 761 HG13 VAL 97 3HG1 VAL 97 -0.183 -6.104 -7.485 762 HG21 VAL 97 3HG2 VAL 97 -1.278 -2.620 -7.060 763 HG22 VAL 97 1HG2 VAL 97 -1.691 -3.935 -5.961 764 HG23 VAL 97 2HG2 VAL 97 -1.715 -4.202 -7.705 765 H PHE 98 HN PHE 98 2.465 -4.181 -3.839 766 HA PHE 98 HA PHE 98 4.897 -4.109 -5.473 767 HD1 PHE 98 2HD PHE 98 7.334 -2.931 -4.586 768 HD2 PHE 98 1HD PHE 98 3.740 -1.451 -2.872 769 HE1 PHE 98 2HE PHE 98 8.020 -0.651 -5.144 770 HE2 PHE 98 1HE PHE 98 4.418 0.852 -3.424 771 HZ PHE 98 HZ PHE 98 6.566 1.257 -4.563 772 HB2 PHE 98 2HB PHE 98 4.400 -3.711 -2.549 773 HB3 PHE 98 1HB PHE 98 5.974 -4.291 -3.090 774 H THR 99 HN THR 99 6.027 -5.857 -5.844 775 HA THR 99 HA THR 99 5.687 -8.291 -4.321 776 HB THR 99 HB THR 99 5.235 -9.532 -6.594 777 HG1 THR 99 1HG THR 99 4.609 -6.885 -7.129 778 HG21 THR 99 3HG2 THR 99 3.010 -8.116 -5.118 779 HG22 THR 99 1HG2 THR 99 3.741 -9.652 -4.656 780 HG23 THR 99 2HG2 THR 99 2.826 -9.529 -6.160 781 H ASP 100 HN ASP 100 7.362 -9.768 -4.720 782 HA ASP 100 HA ASP 100 9.444 -10.461 -5.377 783 HB2 ASP 100 2HB ASP 100 8.327 -10.178 -7.674 784 HB3 ASP 100 1HB ASP 100 9.167 -8.644 -7.779 785 H GLY 101 HN GLY 101 8.874 -7.886 -3.901 786 HA2 GLY 101 2HA GLY 101 10.182 -6.306 -2.847 787 HA3 GLY 101 1HA GLY 101 11.565 -6.887 -3.763 788 H LYS 102 HN LYS 102 9.031 -6.217 -5.852 789 HA LYS 102 HA LYS 102 10.135 -3.541 -6.420 790 HB2 LYS 102 2HB LYS 102 9.529 -5.731 -8.418 791 HB3 LYS 102 1HB LYS 102 10.112 -4.118 -8.809 792 HG2 LYS 102 2HG LYS 102 12.235 -4.574 -8.159 793 HG3 LYS 102 1HG LYS 102 11.727 -5.696 -6.897 794 HD2 LYS 102 2HD LYS 102 11.056 -7.265 -8.782 795 HD3 LYS 102 1HD LYS 102 11.959 -6.189 -9.851 796 HE2 LYS 102 2HE LYS 102 13.985 -6.573 -8.649 797 HE3 LYS 102 1HE LYS 102 13.133 -7.448 -7.378 798 HZ1 LYS 102 3HZ LYS 102 12.535 -9.136 -9.061 799 HZ2 LYS 102 1HZ LYS 102 14.210 -9.004 -8.813 800 HZ3 LYS 102 2HZ LYS 102 13.507 -8.319 -10.190 801 H LEU 103 HN LEU 103 8.745 -2.295 -7.963 802 HA LEU 103 HA LEU 103 5.948 -2.587 -7.196 803 HG LEU 103 HG LEU 103 4.963 -0.403 -9.260 804 HB2 LEU 103 2HB LEU 103 6.975 -0.374 -7.005 805 HB3 LEU 103 1HB LEU 103 7.379 -0.398 -8.710 806 HD11 LEU 103 1HD1 LEU 103 3.334 0.106 -7.510 807 HD12 LEU 103 2HD1 LEU 103 4.599 -0.043 -6.290 808 HD13 LEU 103 3HD1 LEU 103 4.118 -1.451 -7.234 809 HD21 LEU 103 3HD2 LEU 103 5.821 1.856 -7.458 810 HD22 LEU 103 1HD2 LEU 103 4.555 1.922 -8.684 811 HD23 LEU 103 2HD2 LEU 103 6.236 1.689 -9.164 812 H ARG 104 HN ARG 104 4.380 -3.263 -8.539 813 HA ARG 104 HA ARG 104 5.144 -3.850 -11.313 814 HE ARG 104 HE ARG 104 6.735 -5.065 -10.477 815 HB2 ARG 104 2HB ARG 104 2.827 -4.848 -9.655 816 HB3 ARG 104 1HB ARG 104 3.100 -5.268 -11.339 817 HG2 ARG 104 2HG ARG 104 5.036 -5.865 -9.115 818 HG3 ARG 104 1HG ARG 104 3.827 -6.998 -9.717 819 HD2 ARG 104 2HD ARG 104 5.760 -7.605 -10.859 820 HD3 ARG 104 1HD ARG 104 4.896 -6.600 -12.020 821 HH11 ARG 104 1HH1 ARG 104 6.463 -7.229 -13.205 822 HH12 ARG 104 2HH1 ARG 104 7.968 -6.734 -13.916 823 HH21 ARG 104 1HH2 ARG 104 8.739 -4.394 -11.417 824 HH22 ARG 104 2HH2 ARG 104 9.262 -5.125 -12.907 825 H GLY 105 HN GLY 105 2.879 -2.045 -9.356 826 HA2 GLY 105 2HA GLY 105 2.438 0.033 -11.028 827 HA3 GLY 105 1HA GLY 105 1.306 -1.181 -11.611 828 H ALA 106 HN ALA 106 -0.125 0.707 -10.964 829 HA ALA 106 HA ALA 106 -0.813 0.528 -8.104 830 HB1 ALA 106 1HB ALA 106 -0.306 2.790 -8.909 831 HB2 ALA 106 2HB ALA 106 -1.982 2.642 -8.385 832 HB3 ALA 106 3HB ALA 106 -1.594 2.646 -10.106 833 H LEU 107 HN LEU 107 -3.111 0.444 -7.561 834 HA LEU 107 HA LEU 107 -4.474 -1.280 -9.475 835 HG LEU 107 HG LEU 107 -7.131 -1.444 -7.601 836 HB2 LEU 107 2HB LEU 107 -4.221 -2.125 -7.205 837 HB3 LEU 107 1HB LEU 107 -5.068 -0.728 -6.572 838 HD11 LEU 107 1HD1 LEU 107 -6.202 -2.406 -9.645 839 HD12 LEU 107 2HD1 LEU 107 -7.296 -3.536 -8.846 840 HD13 LEU 107 3HD1 LEU 107 -5.551 -3.755 -8.717 841 HD21 LEU 107 3HD2 LEU 107 -5.772 -3.738 -6.193 842 HD22 LEU 107 1HD2 LEU 107 -7.514 -3.513 -6.371 843 HD23 LEU 107 2HD2 LEU 107 -6.571 -2.373 -5.410 844 H SER 108 HN SER 108 -5.054 0.410 -10.900 845 HA SER 108 HA SER 108 -7.253 2.099 -9.975 846 HG SER 108 HG SER 108 -5.299 3.351 -10.422 847 HB2 SER 108 2HB SER 108 -6.000 1.944 -12.734 848 HB3 SER 108 1HB SER 108 -7.110 3.186 -12.147 849 H GLY 109 HN GLY 109 -8.612 0.278 -9.525 850 HA2 GLY 109 2HA GLY 109 -9.236 -1.551 -11.685 851 HA3 GLY 109 1HA GLY 109 -9.823 -1.644 -10.031 852 H ILE 110 HN ILE 110 -10.642 -0.986 -13.175 853 HA ILE 110 HA ILE 110 -12.809 0.813 -12.700 854 HB ILE 110 HB ILE 110 -13.619 0.041 -14.952 855 HG12 ILE 110 2HG1 ILE 110 -11.036 -1.542 -14.921 856 HG13 ILE 110 1HG1 ILE 110 -12.657 -2.227 -14.889 857 HG21 ILE 110 1HG2 ILE 110 -10.753 0.974 -14.801 858 HG22 ILE 110 2HG2 ILE 110 -12.182 1.998 -14.664 859 HG23 ILE 110 3HG2 ILE 110 -11.837 1.167 -16.180 860 HD11 ILE 110 3HD1 ILE 110 -11.443 -0.629 -17.129 861 HD12 ILE 110 1HD1 ILE 110 -13.086 -1.269 -17.103 862 HD13 ILE 110 2HD1 ILE 110 -11.709 -2.372 -17.105 863 H HIS 111 HN HIS 111 -14.945 0.361 -12.358 864 HA HIS 111 HA HIS 111 -16.753 -0.732 -11.518 865 HD1 HIS 111 1HD HIS 111 -18.832 -2.170 -13.198 866 HD2 HIS 111 2HD HIS 111 -15.144 -2.589 -15.086 867 HE1 HIS 111 1HE HIS 111 -19.288 -1.914 -15.661 868 HE2 HIS 111 2HE HIS 111 -17.072 -2.321 -16.787 869 HB2 HIS 111 2HB HIS 111 -15.318 -3.250 -12.401 870 HB3 HIS 111 1HB HIS 111 -16.935 -3.218 -11.714 871 HA PRO 112 HA PRO 112 -15.610 -1.225 -7.290 872 HB2 PRO 112 2HB PRO 112 -17.670 -2.959 -6.522 873 HB3 PRO 112 1HB PRO 112 -17.749 -1.195 -6.527 874 HG2 PRO 112 2HG PRO 112 -18.748 -3.141 -8.550 875 HG3 PRO 112 1HG PRO 112 -19.453 -1.603 -8.025 876 HD2 PRO 112 2HD PRO 112 -18.177 -1.818 -10.367 877 HD3 PRO 112 1HD PRO 112 -18.042 -0.350 -9.376 878 H TRP 113 HN TRP 113 -16.803 -4.271 -8.713 879 HA TRP 113 HA TRP 113 -14.257 -5.528 -8.138 880 HD1 TRP 113 1HD TRP 113 -15.313 -8.949 -8.448 881 HE1 TRP 113 1HE TRP 113 -13.720 -10.609 -7.258 882 HE3 TRP 113 3HE TRP 113 -14.233 -6.187 -4.315 883 HZ2 TRP 113 2HZ TRP 113 -12.201 -10.701 -4.866 884 HZ3 TRP 113 3HZ TRP 113 -12.707 -7.112 -2.617 885 HH2 TRP 113 2HH TRP 113 -11.708 -9.324 -2.895 886 HB2 TRP 113 2HB TRP 113 -15.727 -5.856 -6.098 887 HB3 TRP 113 1HB TRP 113 -16.793 -6.811 -7.124 888 H ALA 114 HN ALA 114 -13.720 -6.446 -9.937 889 HA ALA 114 HA ALA 114 -15.044 -8.475 -11.266 890 HB1 ALA 114 1HB ALA 114 -15.871 -7.421 -13.311 891 HB2 ALA 114 2HB ALA 114 -15.479 -5.830 -12.658 892 HB3 ALA 114 3HB ALA 114 -16.732 -6.809 -11.898 893 H GLU 115 HN GLU 115 -13.614 -5.599 -12.716 894 HA GLU 115 HA GLU 115 -11.771 -7.118 -14.266 895 HB2 GLU 115 2HB GLU 115 -11.927 -4.148 -13.734 896 HB3 GLU 115 1HB GLU 115 -10.828 -4.888 -14.889 897 HG2 GLU 115 2HG GLU 115 -13.831 -4.992 -14.991 898 HG3 GLU 115 1HG GLU 115 -12.794 -3.965 -15.979 899 H LEU 116 HN LEU 116 -11.655 -5.585 -11.181 900 HA LEU 116 HA LEU 116 -8.970 -5.263 -10.679 901 HG LEU 116 HG LEU 116 -8.541 -4.738 -8.266 902 HB2 LEU 116 2HB LEU 116 -10.943 -4.772 -9.167 903 HB3 LEU 116 1HB LEU 116 -10.963 -6.470 -8.752 904 HD11 LEU 116 1HD1 LEU 116 -10.824 -5.316 -6.385 905 HD12 LEU 116 2HD1 LEU 116 -10.435 -3.746 -7.089 906 HD13 LEU 116 3HD1 LEU 116 -9.316 -4.511 -5.961 907 HD21 LEU 116 3HD2 LEU 116 -8.003 -6.454 -6.624 908 HD22 LEU 116 1HD2 LEU 116 -8.190 -7.163 -8.227 909 HD23 LEU 116 2HD2 LEU 116 -9.479 -7.328 -7.035 910 H LEU 117 HN LEU 117 -10.884 -8.231 -10.583 911 HA LEU 117 HA LEU 117 -8.940 -9.976 -9.612 912 HG LEU 117 HG LEU 117 -12.048 -9.694 -9.486 913 HB2 LEU 117 2HB LEU 117 -11.130 -10.530 -11.615 914 HB3 LEU 117 1HB LEU 117 -10.231 -11.751 -10.739 915 HD11 LEU 117 1HD1 LEU 117 -12.441 -12.648 -9.949 916 HD12 LEU 117 2HD1 LEU 117 -13.295 -11.342 -10.770 917 HD13 LEU 117 3HD1 LEU 117 -13.525 -11.596 -9.039 918 HD21 LEU 117 3HD2 LEU 117 -11.736 -10.999 -7.441 919 HD22 LEU 117 1HD2 LEU 117 -10.210 -10.332 -8.022 920 HD23 LEU 117 2HD2 LEU 117 -10.581 -12.038 -8.280 921 H THR 118 HN THR 118 -9.837 -9.327 -12.991 922 HA THR 118 HA THR 118 -7.887 -10.919 -14.185 923 HB THR 118 HB THR 118 -9.021 -8.367 -15.343 924 HG1 THR 118 1HG THR 118 -10.132 -11.002 -15.215 925 HG21 THR 118 3HG2 THR 118 -7.220 -9.380 -16.651 926 HG22 THR 118 1HG2 THR 118 -8.767 -9.546 -17.481 927 HG23 THR 118 2HG2 THR 118 -8.068 -10.926 -16.635 928 H LEU 119 HN LEU 119 -7.815 -7.456 -13.371 929 HA LEU 119 HA LEU 119 -5.305 -6.971 -14.573 930 HG LEU 119 HG LEU 119 -6.815 -3.644 -14.317 931 HB2 LEU 119 2HB LEU 119 -7.076 -5.480 -12.707 932 HB3 LEU 119 1HB LEU 119 -5.409 -4.958 -12.847 933 HD11 LEU 119 1HD1 LEU 119 -5.112 -5.583 -15.871 934 HD12 LEU 119 2HD1 LEU 119 -4.553 -4.116 -15.067 935 HD13 LEU 119 3HD1 LEU 119 -5.661 -4.005 -16.436 936 HD21 LEU 119 3HD2 LEU 119 -8.634 -5.225 -14.650 937 HD22 LEU 119 1HD2 LEU 119 -7.577 -6.258 -15.611 938 HD23 LEU 119 2HD2 LEU 119 -8.010 -4.653 -16.197 939 H MET 120 HN MET 120 -6.190 -7.524 -11.137 940 HA MET 120 HA MET 120 -3.483 -7.238 -10.294 941 HB2 MET 120 2HB MET 120 -5.918 -8.307 -8.893 942 HB3 MET 120 1HB MET 120 -4.327 -8.321 -8.142 943 HG2 MET 120 2HG MET 120 -4.291 -5.805 -8.731 944 HG3 MET 120 1HG MET 120 -6.037 -5.992 -8.895 945 HE1 MET 120 3HE MET 120 -3.498 -7.733 -6.417 946 HE2 MET 120 1HE MET 120 -3.664 -6.694 -5.002 947 HE3 MET 120 2HE MET 120 -2.965 -6.054 -6.487 948 H ARG 121 HN ARG 121 -5.428 -10.036 -11.232 949 HA ARG 121 HA ARG 121 -3.628 -12.010 -10.347 950 HE ARG 121 HE ARG 121 -7.783 -14.252 -9.172 951 HB2 ARG 121 2HB ARG 121 -5.837 -11.893 -12.349 952 HB3 ARG 121 1HB ARG 121 -4.773 -13.282 -12.334 953 HG2 ARG 121 2HG ARG 121 -5.340 -13.711 -10.005 954 HG3 ARG 121 1HG ARG 121 -6.397 -12.295 -10.008 955 HD2 ARG 121 2HD ARG 121 -7.815 -13.298 -11.671 956 HD3 ARG 121 1HD ARG 121 -6.712 -14.663 -11.840 957 HH11 ARG 121 1HH1 ARG 121 -8.180 -15.867 -12.264 958 HH12 ARG 121 2HH1 ARG 121 -9.130 -17.162 -11.605 959 HH21 ARG 121 1HH2 ARG 121 -9.061 -15.925 -8.312 960 HH22 ARG 121 2HH2 ARG 121 -9.650 -17.188 -9.364 961 H SER 122 HN SER 122 -3.879 -10.152 -13.322 962 HA SER 122 HA SER 122 -1.785 -11.461 -14.701 963 HG SER 122 HG SER 122 -1.396 -10.411 -16.750 964 HB2 SER 122 2HB SER 122 -3.493 -9.966 -15.766 965 HB3 SER 122 1HB SER 122 -2.704 -8.586 -15.004 966 H ILE 123 HN ILE 123 -1.915 -8.791 -12.422 967 HA ILE 123 HA ILE 123 0.778 -7.965 -12.640 968 HB ILE 123 HB ILE 123 -1.206 -7.699 -10.382 969 HG12 ILE 123 2HG1 ILE 123 -0.198 -5.702 -12.420 970 HG13 ILE 123 1HG1 ILE 123 -1.763 -6.510 -12.471 971 HG21 ILE 123 1HG2 ILE 123 1.517 -6.445 -10.658 972 HG22 ILE 123 2HG2 ILE 123 1.004 -7.604 -9.430 973 HG23 ILE 123 3HG2 ILE 123 0.306 -5.984 -9.463 974 HD11 ILE 123 3HD1 ILE 123 -1.961 -4.239 -11.633 975 HD12 ILE 123 1HD1 ILE 123 -0.829 -4.610 -10.331 976 HD13 ILE 123 2HD1 ILE 123 -2.400 -5.413 -10.391 977 H VAL 124 HN VAL 124 -0.845 -10.239 -10.441 978 HA VAL 124 HA VAL 124 1.618 -10.855 -9.069 979 HB VAL 124 HB VAL 124 0.306 -12.454 -7.767 980 HG11 VAL 124 1HG1 VAL 124 -1.078 -9.800 -8.114 981 HG12 VAL 124 2HG1 VAL 124 0.321 -10.120 -7.091 982 HG13 VAL 124 3HG1 VAL 124 -1.231 -10.867 -6.719 983 HG21 VAL 124 3HG2 VAL 124 -1.189 -13.284 -9.493 984 HG22 VAL 124 1HG2 VAL 124 -1.982 -11.711 -9.592 985 HG23 VAL 124 2HG2 VAL 124 -2.115 -12.675 -8.122 986 H ASP 125 HN ASP 125 1.656 -11.373 -11.873 987 HA ASP 125 HA ASP 125 1.566 -14.248 -12.209 988 HB2 ASP 125 2HB ASP 125 1.038 -12.559 -14.038 989 HB3 ASP 125 1HB ASP 125 2.760 -12.201 -14.092 990 H THR 126 HN THR 126 3.491 -12.380 -10.508 991 HA THR 126 HA THR 126 6.116 -12.716 -11.246 992 HB THR 126 HB THR 126 6.597 -12.665 -8.748 993 HG1 THR 126 1HG THR 126 4.823 -12.342 -7.390 994 HG21 THR 126 3HG2 THR 126 4.749 -10.562 -9.881 995 HG22 THR 126 1HG2 THR 126 6.499 -10.631 -10.094 996 HG23 THR 126 2HG2 THR 126 5.816 -10.354 -8.492 997 HA PRO 127 HA PRO 127 6.585 -17.149 -11.005 998 HB2 PRO 127 2HB PRO 127 9.414 -16.655 -11.508 999 HB3 PRO 127 1HB PRO 127 8.221 -17.444 -12.539 1000 HG2 PRO 127 2HG PRO 127 9.284 -15.021 -13.122 1001 HG3 PRO 127 1HG PRO 127 7.636 -15.486 -13.586 1002 HD2 PRO 127 2HD PRO 127 8.552 -13.789 -11.295 1003 HD3 PRO 127 1HD PRO 127 7.172 -13.553 -12.389 1004 H ALA 128 HN ALA 128 8.113 -18.673 -9.929 1005 HA ALA 128 HA ALA 128 9.184 -19.509 -8.122 1006 HB1 ALA 128 1HB ALA 128 10.028 -16.680 -7.521 1007 HB2 ALA 128 2HB ALA 128 10.885 -17.790 -8.589 1008 HB3 ALA 128 3HB ALA 128 10.739 -18.157 -6.870 1009 H ALA 129 HN ALA 129 6.439 -18.056 -8.035 1010 HA ALA 129 HA ALA 129 6.138 -17.626 -5.186 1011 HB1 ALA 129 1HB ALA 129 4.067 -17.632 -7.382 1012 HB2 ALA 129 2HB ALA 129 4.889 -16.212 -6.734 1013 HB3 ALA 129 3HB ALA 129 3.797 -17.144 -5.709 1014 H GLN 130 HN GLN 130 6.604 -19.604 -4.286 1015 HA GLN 130 HA GLN 130 4.544 -21.629 -4.449 1016 HB2 GLN 130 2HB GLN 130 6.073 -22.208 -6.308 1017 HB3 GLN 130 1HB GLN 130 7.420 -22.245 -5.182 1018 HG2 GLN 130 2HG GLN 130 6.510 -24.155 -4.066 1019 HG3 GLN 130 1HG GLN 130 5.025 -24.053 -5.011 1020 HE21 GLN 130 1HE2 GLN 130 5.284 -26.141 -5.780 1021 HE22 GLN 130 2HE2 GLN 130 6.452 -26.535 -6.994 1022 H GLU 131 HN GLU 131 4.811 -23.250 -2.711 1023 HA GLU 131 HA GLU 131 5.783 -21.938 -0.338 1024 HB2 GLU 131 2HB GLU 131 4.371 -24.562 -0.775 1025 HB3 GLU 131 1HB GLU 131 4.875 -23.993 0.808 1026 HG2 GLU 131 2HG GLU 131 3.467 -21.992 0.495 1027 HG3 GLU 131 1HG GLU 131 2.905 -22.664 -1.035 1028 H THR 132 HN THR 132 7.697 -23.036 -2.393 1029 HA THR 132 HA THR 132 9.232 -25.029 -1.052 1030 HB THR 132 HB THR 132 11.105 -24.051 -2.544 1031 HG1 THR 132 1HG THR 132 9.988 -22.862 -4.377 1032 HG21 THR 132 3HG2 THR 132 9.884 -26.088 -3.102 1033 HG22 THR 132 1HG2 THR 132 10.174 -25.124 -4.550 1034 HG23 THR 132 2HG2 THR 132 8.578 -25.131 -3.798 1035 H VAL 133 HN VAL 133 9.296 -21.513 -1.254 1036 HA VAL 133 HA VAL 133 10.882 -21.422 1.213 1037 HB VAL 133 HB VAL 133 11.005 -18.980 0.831 1038 HG11 VAL 133 1HG1 VAL 133 11.876 -20.664 -1.518 1039 HG12 VAL 133 2HG1 VAL 133 12.793 -20.354 -0.042 1040 HG13 VAL 133 3HG1 VAL 133 12.459 -19.037 -1.166 1041 HG21 VAL 133 3HG2 VAL 133 10.270 -18.061 -1.344 1042 HG22 VAL 133 1HG2 VAL 133 8.928 -18.620 -0.347 1043 HG23 VAL 133 2HG2 VAL 133 9.487 -19.601 -1.701 1044 H GLN 134 HN GLN 134 9.996 -19.454 2.646 1045 HA GLN 134 HA GLN 134 8.370 -18.706 4.042 1046 HB2 GLN 134 2HB GLN 134 7.383 -17.710 2.052 1047 HB3 GLN 134 1HB GLN 134 6.592 -19.228 1.651 1048 HG2 GLN 134 2HG GLN 134 5.291 -19.050 3.748 1049 HG3 GLN 134 1HG GLN 134 6.022 -17.469 4.022 1050 HE21 GLN 134 1HE2 GLN 134 4.018 -16.462 3.968 1051 HE22 GLN 134 2HE2 GLN 134 3.151 -16.217 2.495 1052 H LEU 135 HN LEU 135 8.619 -20.422 5.489 1053 HA LEU 135 HA LEU 135 6.924 -22.742 5.250 1054 HG LEU 135 HG LEU 135 8.338 -20.894 8.206 1055 HB2 LEU 135 2HB LEU 135 7.788 -23.326 7.513 1056 HB3 LEU 135 1HB LEU 135 9.034 -23.116 6.303 1057 HD11 LEU 135 1HD1 LEU 135 10.313 -23.129 8.644 1058 HD12 LEU 135 2HD1 LEU 135 8.839 -22.843 9.571 1059 HD13 LEU 135 3HD1 LEU 135 10.165 -21.680 9.638 1060 HD21 LEU 135 3HD2 LEU 135 9.707 -20.308 6.275 1061 HD22 LEU 135 1HD2 LEU 135 10.835 -21.605 6.666 1062 HD23 LEU 135 2HD2 LEU 135 10.660 -20.232 7.756 1063 H GLU 136 HN GLU 136 4.831 -22.065 5.240 1064 HA GLU 136 HA GLU 136 4.010 -20.229 7.366 1065 HB2 GLU 136 2HB GLU 136 3.267 -20.540 4.563 1066 HB3 GLU 136 1HB GLU 136 1.890 -20.344 5.643 1067 HG2 GLU 136 2HG GLU 136 4.224 -18.491 5.287 1068 HG3 GLU 136 1HG GLU 136 2.530 -18.190 4.896 1069 H HIS 137 HN HIS 137 1.582 -20.397 7.770 1070 HA HIS 137 HA HIS 137 0.507 -23.057 7.998 1071 HD1 HIS 137 1HD HIS 137 0.168 -21.356 12.340 1072 HD2 HIS 137 2HD HIS 137 3.322 -20.402 9.810 1073 HE1 HIS 137 1HE HIS 137 1.254 -19.328 13.355 1074 HE2 HIS 137 2HE HIS 137 3.056 -18.679 11.716 1075 HB2 HIS 137 2HB HIS 137 0.371 -22.974 10.495 1076 HB3 HIS 137 1HB HIS 137 2.014 -23.142 9.893 1077 H HIS 138 HN HIS 138 -0.244 -20.683 6.733 1078 HA HIS 138 HA HIS 138 -2.423 -19.606 8.402 1079 HD1 HIS 138 1HD HIS 138 -0.770 -15.801 8.371 1080 HD2 HIS 138 2HD HIS 138 -4.276 -17.558 6.979 1081 HE1 HIS 138 1HE HIS 138 -2.597 -14.129 8.825 1082 HE2 HIS 138 2HE HIS 138 -4.726 -15.279 8.129 1083 HB2 HIS 138 2HB HIS 138 -0.413 -18.127 7.646 1084 HB3 HIS 138 1HB HIS 138 -1.185 -18.162 6.068 1085 H HIS 139 HN HIS 139 -4.007 -21.084 7.683 1086 HA HIS 139 HA HIS 139 -4.826 -20.659 4.878 1087 HD1 HIS 139 1HD HIS 139 -7.112 -24.507 5.709 1088 HD2 HIS 139 2HD HIS 139 -5.508 -22.164 2.665 1089 HE1 HIS 139 1HE HIS 139 -8.538 -24.946 3.685 1090 HE2 HIS 139 2HE HIS 139 -7.447 -23.654 1.816 1091 HB2 HIS 139 2HB HIS 139 -3.985 -22.967 5.209 1092 HB3 HIS 139 1HB HIS 139 -5.168 -23.204 6.491 1093 H HIS 140 HN HIS 140 -6.899 -20.025 4.567 1094 HA HIS 140 HA HIS 140 -8.374 -19.277 6.936 1095 HD1 HIS 140 1HD HIS 140 -9.920 -16.432 6.662 1096 HD2 HIS 140 2HD HIS 140 -6.492 -16.972 4.357 1097 HE1 HIS 140 1HE HIS 140 -8.578 -14.318 6.927 1098 HE2 HIS 140 2HE HIS 140 -6.620 -14.587 5.355 1099 HB2 HIS 140 2HB HIS 140 -8.680 -18.721 4.012 1100 HB3 HIS 140 1HB HIS 140 -10.038 -18.441 5.093 1101 H HIS 141 HN HIS 141 -9.651 -20.641 7.923 1102 HA HIS 141 HA HIS 141 -11.583 -22.099 6.243 1103 HD1 HIS 141 1HD HIS 141 -12.387 -23.201 10.616 1104 HD2 HIS 141 2HD HIS 141 -8.539 -22.183 9.401 1105 HE1 HIS 141 1HE HIS 141 -11.105 -22.714 12.731 1106 HE2 HIS 141 2HE HIS 141 -8.732 -22.335 11.975 1107 HB2 HIS 141 2HB HIS 141 -12.049 -23.550 8.196 1108 HB3 HIS 141 1HB HIS 141 -10.385 -23.679 7.649 1109 H HIS 142 HN HIS 142 -11.024 -19.423 7.884 1110 HA HIS 142 HA HIS 142 -13.862 -18.754 7.944 1111 HD1 HIS 142 1HD HIS 142 -15.577 -18.164 10.560 1112 HD2 HIS 142 2HD HIS 142 -12.369 -20.712 11.254 1113 HE1 HIS 142 1HE HIS 142 -16.473 -19.995 12.035 1114 HE2 HIS 142 2HE HIS 142 -14.451 -21.380 12.629 1115 HB2 HIS 142 2HB HIS 142 -11.875 -18.199 10.154 1116 HB3 HIS 142 1HB HIS 142 -13.290 -17.185 9.914