*HEADER BIOSYNTHETIC PROTEIN 30-JUN-08 2K5P *TITLE NMR SOLUTION STRUCTURE OF A THIAMINE BIOSYNTHESIS PROTEIN *TITLE 2 FROM GEOBACTER METALLIREDUCENS: NORTHEAST STRUCTURAL *TITLE 3 GENOMICS CONSORTIUM TARGET GMR137 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: THIAMINE-BIOSYNTHESIS PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: THIS PROTEIN; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER METALLIREDUCENS GS-15; *SOURCE 3 GENE: GMET_1567; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; *SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET 21-23C *KEYWDS NESG, GMR137, GEOBACTER METALLIREDUCENS, THIAMINE *KEYWDS 2 BIOSYNTHESIS, NMR, STRUCTURAL GENOMICS, PSI-2, PROTEIN *KEYWDS 3 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 4 CONSORTIUM, BIOSYNTHETIC PROTEIN *EXPDTA NMR, 20 STRUCTURES *AUTHOR R.MANI, H.WANG, M.JIANG, M.MAGLIAQUI, R.XIAO, R.NAIR, *AUTHOR 2 M.C.BARAN, S.V.T.GURLA, T.B.ACTON, B.ROST, G.T.MONTELIONE, *AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) *REVDAT 1 26-AUG-08 2K5P 0 # -- Angle constraint file built by HYPER -- DIANA | DYANA format # -- from data in file GmR137.hyp # -- Version: 3.2 2002/04/18[Linux] (Compiled on: troberto.quifis.uv.es) 3 LEU PHI -180.0 -70.0 3 LEU PSI 60.0 180.0 4 THR PHI -180.0 -70.0 4 THR PSI 60.0 180.0 5 VAL PHI -180.0 -70.0 5 VAL PSI 60.0 180.0 10 SER PHI -180.0 -70.0 10 SER PSI 60.0 180.0 11 THR PHI -180.0 -70.0 11 THR PSI 60.0 180.0 18 LEU PHI -180.0 -70.0 18 LEU PSI 60.0 180.0 19 ASN PHI -180.0 -70.0 19 ASN PSI 60.0 180.0 20 VAL PHI -100.0 -30.0 20 VAL PSI -75.0 5.0 21 THR PHI -100.0 -30.0 21 THR PSI -75.0 5.0 22 GLU PHI -100.0 -30.0 22 GLU PSI -75.0 5.0 23 LEU PHI -100.0 -30.0 23 LEU PSI -75.0 5.0 24 LEU PHI -100.0 -30.0 24 LEU PSI -75.0 5.0 25 SER PHI -100.0 -30.0 25 SER PSI -75.0 5.0 26 ALA PHI -100.0 -30.0 26 ALA PSI -75.0 5.0 53 THR PHI -180.0 -70.0 53 THR PSI 60.0 180.0 54 VAL PHI -180.0 -70.0 54 VAL PSI 60.0 180.0 59 ALA PHI -180.0 -70.0 59 ALA PSI 60.0 180.0 60 VAL PHI -180.0 -70.0 60 VAL PSI 60.0 180.0 61 GLU PHI -180.0 -70.0 61 GLU PSI 60.0 180.0 #Manual Input #Talos contraints =10 only 2 ASN PHI -139.03 -59.03 2 ASN PSI 83.39 183.39 3 LEU PHI -169.34 -89.34 3 LEU PSI 94.73 194.73 4 THR PHI -146.5 -66.5 4 THR PSI 71.39 171.39 5 VAL PHI -153.58 -73.58 5 VAL PSI 73.06 173.06 6 ASN PHI 12.34 92.34 6 ASN PSI -6.02 93.98 7 GLY PHI 38.87 118.87 7 GLY PSI -50.65 49.35 10 SER PHI -157.3 -77.3 10 SER PSI 81.38 181.38 11 THR PHI -160.11 -80.11 11 THR PSI 80.02 180.02 12 VAL PHI -147.97 -67.97 12 VAL PSI 66.94 166.94 18 LEU PHI -175.98 -95.98 18 LEU PSI 106.35 206.35 19 ASN PHI -123.27 -43.27 19 ASN PSI 119.43 219.43 20 VAL PHI -103.55 -23.55 20 VAL PSI -89.92 10.08 21 THR PHI -103.49 -23.49 21 THR PSI -93.98 6.02 22 GLU PHI -103.52 -23.52 22 GLU PSI -88.88 11.12 23 LEU PHI -104.62 -24.62 23 LEU PSI -93.18 6.82 24 LEU PHI -103.76 -23.76 24 LEU PSI -91.16 8.84 25 SER PHI -101.37 -21.37 25 SER PSI -90.87 9.13 26 ALA PHI -101.01 -21.01 26 ALA PSI -81.44 18.56 27 LEU PHI -130.21 -50.21 27 LEU PSI -49.08 50.92 29 VAL PHI -123.52 -43.52 29 VAL PSI 84.3 184.3 32 ALA PHI -99.29 -19.29 32 ALA PSI -88.65 11.35 33 GLU PHI -111.4 -31.4 33 GLU PSI -83.43 16.57 35 VAL PHI -152.36 -72.36 35 VAL PSI 78.91 178.91 36 THR PHI -153.48 -73.48 36 THR PSI 73.22 173.22 37 VAL PHI -159.81 -79.81 37 VAL PSI 82.09 182.09 38 GLU PHI -159.81 -79.81 38 GLU PSI 76.24 176.24 39 LEU PHI -159.16 -79.16 39 LEU PSI 74.14 174.14 40 ASN PHI 11.55 91.55 40 ASN PSI -6.47 93.53 41 GLY PHI 38.22 118.22 41 GLY PSI -49.15 50.85 43 VAL PHI -126.38 -46.38 43 VAL PSI 75.59 175.59 46 ARG PHI -98.51 -18.51 46 ARG PSI -87.2 12.8 47 GLU PHI -108.23 -28.23 47 GLU PSI -68.51 31.49 49 PHE PHI -102.31 -22.31 49 PHE PSI -80.18 19.82 53 THR PHI -138.33 -58.33 53 THR PSI 77.09 177.09 54 VAL PHI -152.57 -72.57 54 VAL PSI 80.22 180.22 60 VAL PHI -150.03 -70.03 60 VAL PSI 82.66 182.66 61 GLU PHI -164.05 -84.05 61 GLU PSI 85.57 185.57 62 PHE PHI -158.46 -78.46 62 PHE PSI 76.95 176.95 63 LEU PHI -154.29 -74.29 63 LEU PSI 94.34 194.34 77 HIS PHI -181.88 -101.88 77 HIS PSI 105.7 205.7 78 HIS PHI -167.89 -87.89 78 HIS PSI 99.56 199.56 #END Manual Input #------------------------------------------------------------------------------------------------------------ #NOE constraints # created by AutoStructure/RPF Version 2.2.1 Copyright(C) 2007 #M1 # 1 MET HA 1 MET HB2 5.00 # # 1 MET HA 1 MET HB3 5.00 # 1 MET HA 1 MET HG2 5.00 # 1 MET HA 1 MET HG3 5.00 # 1 MET HA 2 ASN H 2.90 # 1 MET HA 2 ASN QB 5.00 # 1 MET HA 56 ASP HB2 5.00 # 1 MET HA 56 ASP HB3 5.00 # 1 MET HB2 2 ASN H 5.00 # 1 MET HB3 2 ASN H 5.00 # 1 MET HB2 3 LEU QD1 5.00 # 1 MET HB2 3 LEU QD2 5.00 # 1 MET HB3 3 LEU QD1 5.00 # 1 MET HB3 3 LEU QD2 5.00 # 1 MET QB 55 LYS HA 5.00 # 1 MET HB2 56 ASP H 5.00 # 1 MET HB3 56 ASP H 5.00 # 1 MET HB2 56 ASP HA 5.00 # 1 MET HB3 56 ASP HA 5.00 # 1 MET HB2 56 ASP HB2 5.00 # 1 MET HB2 56 ASP HB3 5.00 # 1 MET HB3 56 ASP HB2 5.00 # 1 MET HB3 56 ASP HB3 5.00 # 1 MET QB 57 GLY H 5.00 # 1 MET HG2 2 ASN H 5.00 # 1 MET HG3 2 ASN H 5.00 # 1 MET HG2 3 LEU HG 5.00 # 1 MET HG3 3 LEU HG 5.00 # 1 MET QG 3 LEU QD1 5.00 # 1 MET QG 3 LEU QD1 5.00 # 1 MET QG 3 LEU QD2 5.00 # 1 MET HG2 12 VAL H 5.00 # 1 MET HG3 12 VAL H 5.00 # 1 MET QG 12 VAL HB 5.00 # 1 MET HG2 12 VAL QG1 5.00 # 1 MET HG2 12 VAL QG2 5.00 # 1 MET HG3 12 VAL QG1 5.00 # 1 MET HG3 12 VAL QG2 5.00 # 1 MET QG 15 ALA QB 5.00 # 1 MET HG2 55 LYS HA 5.00 # 1 MET HG3 55 LYS HA 5.00 # 1 MET QG 57 GLY H 5.00 # #N2 2 ASN H 2 ASN HA 5.00 # 2 ASN H 2 ASN QB 3.50 # 2 ASN H 2 ASN HD21 5.00 # 2 ASN H 2 ASN HD22 5.00 # 2 ASN H 3 LEU H 5.00 # 2 ASN H 3 LEU QQD 5.00 # 2 ASN H 56 ASP H 5.00 # 2 ASN H 56 ASP HA 5.00 # 2 ASN H 56 ASP HB2 5.00 # 2 ASN H 56 ASP HB3 5.00 # 2 ASN H 57 GLY H 5.00 # # 2 ASN HA 2 ASN QB 3.50 # 2 ASN HA 2 ASN QD2 5.00 # 2 ASN HA 3 LEU H 2.90 # 2 ASN HA 3 LEU QQD 5.00 # 2 ASN HA 11 THR HA 3.50 # 2 ASN HA 11 THR QG2 5.00 # 2 ASN HA 12 VAL H 5.00 # 2 ASN QB 2 ASN HD21 5.00 # 2 ASN QB 2 ASN HD22 5.00 # 2 ASN QB 3 LEU H 3.50 # 2 ASN QB 57 GLY H 5.00 # 2 ASN HD21 11 THR QG2 5.00 # 2 ASN HD22 11 THR QG2 5.00 # #L3 3 LEU H 3 LEU HA 5.00 # 3 LEU H 3 LEU HB2 5.00 # 3 LEU H 3 LEU HB3 5.00 # 3 LEU H 3 LEU HG 5.00 # 3 LEU H 3 LEU QD1 5.00 # 3 LEU H 3 LEU QQD 5.00 # # 3 LEU H 4 THR H 5.00 # 3 LEU H 10 SER H 5.00 # 3 LEU H 10 SER QB 5.00 # 3 LEU H 11 THR HA 5.00 # 3 LEU H 11 THR QG2 5.00 # 3 LEU H 12 VAL H 5.00 # # 3 LEU HA 3 LEU HB2 5.00 # # 3 LEU HA 3 LEU HB3 5.00 # 3 LEU HA 3 LEU HG 5.00 # 3 LEU HA 3 LEU QD1 5.00 # 3 LEU HA 3 LEU QD2 5.00 # 3 LEU HA 4 THR H 3.50 # 3 LEU HA 57 GLY H 5.00 # 3 LEU HA 58 ASP H 5.00 # # 3 LEU HB2 3 LEU HG 5.00 # # 3 LEU HB3 3 LEU HG 5.00 # 3 LEU HB2 3 LEU QD1 5.00 # 3 LEU HB2 3 LEU QD2 5.00 # 3 LEU HB3 3 LEU QD1 5.00 # 3 LEU HB3 3 LEU QD2 5.00 # 3 LEU HB2 4 THR H 5.00 # 3 LEU HB3 4 THR H 5.00 # 3 LEU QB 5 VAL QQG 5.00 # 3 LEU HB2 10 SER QB 5.00 # 3 LEU HB3 10 SER QB 5.00 # 3 LEU HB2 12 VAL QQG 5.00 # 3 LEU HB3 12 VAL QQG 5.00 # 3 LEU QB 57 GLY H 5.00 # 3 LEU HB2 58 ASP H 5.00 # 3 LEU HB3 58 ASP H 5.00 # 3 LEU QB 60 VAL H 3.50 # 3 LEU QB 60 VAL QG1 5.00 # # 3 LEU HG 3 LEU QD1 5.00 # # 3 LEU HG 3 LEU QD2 5.00 # 3 LEU HG 4 THR H 5.00 # 3 LEU HG 12 VAL QG1 5.00 # 3 LEU HG 12 VAL QG2 5.00 # 3 LEU HG 58 ASP H 5.00 # # 3 LEU QQD 3 LEU QQD 5.00 # 3 LEU QD1 4 THR H 5.00 # 3 LEU QQD 4 THR H 5.00 # 3 LEU QQD 11 THR HA 5.00 # 3 LEU QQD 54 VAL QQG 5.00 # 3 LEU QQD 56 ASP H 5.00 # 3 LEU QD1 56 ASP HA 5.00 # 3 LEU QD2 56 ASP HA 5.00 # 3 LEU QQD 57 GLY H 5.00 # 3 LEU QD1 58 ASP H 5.00 # 3 LEU QD2 58 ASP H 5.00 # 3 LEU QQD 58 ASP HB2 5.00 # 3 LEU QQD 58 ASP HB3 5.00 # #T4 4 THR H 4 THR HA 5.00 # 4 THR H 4 THR HB 3.50 # 4 THR H 4 THR QG2 5.00 # # 4 THR H 5 VAL H 5.00 # 4 THR H 58 ASP H 5.00 # 4 THR H 59 ALA HA 5.00 # 4 THR H 60 VAL H 5.00 # # 4 THR HA 4 THR HB 5.00 # 4 THR HA 4 THR QG2 5.00 # 4 THR HA 5 VAL H 2.90 # 4 THR HA 10 SER H 3.50 # # 4 THR HB 4 THR QG2 5.00 # 4 THR HB 5 VAL H 5.00 # 4 THR HB 7 GLY H 5.00 # 4 THR HB 8 LYS H 5.00 # 4 THR HB 59 ALA HA 5.00 # 4 THR HB 59 ALA QB 5.00 # 4 THR HB 60 VAL H 5.00 # 4 THR QG2 5 VAL H 5.00 # 4 THR QG2 6 ASN H 5.00 # 4 THR QG2 7 GLY H 5.00 # 4 THR QG2 7 GLY HA2 5.00 # 4 THR QG2 7 GLY HA3 5.00 # 4 THR QG2 8 LYS H 5.00 # 4 THR QG2 8 LYS HA 5.00 # 4 THR QG2 9 PRO HA 5.00 # 4 THR QG2 10 SER H 5.00 # 4 THR QG2 59 ALA HA 5.00 # 4 THR QG2 59 ALA QB 5.00 # #V5 5 VAL H 5 VAL HA 5.00 # 5 VAL H 5 VAL HB 5.00 # 5 VAL H 5 VAL QQG 5.00 # 5 VAL H 6 ASN H 5.00 # 5 VAL H 8 LYS H 3.50 # 5 VAL H 8 LYS HB2 5.00 # 5 VAL H 8 LYS HB3 5.00 # 5 VAL H 10 SER QB 5.00 # # 5 VAL HA 5 VAL HB 5.00 # 5 VAL HA 5 VAL QQG 5.00 # 5 VAL HA 6 ASN H 3.50 # 5 VAL HA 60 VAL H 5.00 # 5 VAL HA 60 VAL QG1 5.00 # 5 VAL HA 62 PHE H 5.00 # # 5 VAL HB 5 VAL QQG 5.00 # 5 VAL HB 6 ASN H 5.00 # 5 VAL HB 10 SER QB 5.00 # 5 VAL QQG 6 ASN H 5.00 # 5 VAL QQG 8 LYS H 5.00 # 5 VAL QQG 10 SER H 5.00 # 5 VAL QQG 10 SER QB 5.00 # #N6 6 ASN H 6 ASN HA 3.50 # 6 ASN H 6 ASN HB2 5.00 # 6 ASN H 6 ASN HB3 5.00 # 6 ASN H 7 GLY H 5.00 # 6 ASN H 8 LYS H 5.00 # 6 ASN H 61 GLU HA 5.00 # 6 ASN H 61 GLU QG 5.00 # 6 ASN H 62 PHE H 5.00 # # 6 ASN HA 6 ASN HB2 5.00 # # 6 ASN HA 6 ASN HB3 5.00 # 6 ASN HA 6 ASN QD2 5.00 # 6 ASN HA 7 GLY H 3.50 # 6 ASN HB2 6 ASN HD21 5.00 # 6 ASN HB2 6 ASN HD22 5.00 # 6 ASN HB3 6 ASN HD21 5.00 # 6 ASN HB3 6 ASN HD22 5.00 # 6 ASN QB 7 GLY H 5.00 # 6 ASN QB 7 GLY H 5.00 # 6 ASN QB 8 LYS H 5.00 # 6 ASN QB 8 LYS HG2 5.00 # 6 ASN QB 8 LYS HG3 5.00 # 6 ASN QB 8 LYS QD 5.00 # 6 ASN HD21 62 PHE H 5.00 # 6 ASN HD22 62 PHE H 5.00 # 6 ASN HD21 62 PHE HB2 5.00 # 6 ASN HD21 62 PHE HB3 5.00 # 6 ASN HD22 62 PHE HB2 5.00 # 6 ASN HD22 62 PHE HB3 5.00 # 6 ASN HD21 62 PHE QD 5.00 # 6 ASN HD22 62 PHE QD 5.00 # 6 ASN HD21 63 LEU QQD 5.00 # 6 ASN HD22 63 LEU QQD 5.00 # #G7 7 GLY H 7 GLY HA2 3.50 # 7 GLY H 7 GLY HA3 5.00 # 7 GLY H 8 LYS H 3.50 # 7 GLY H 61 GLU HG2 5.00 # 7 GLY H 61 GLU HG3 5.00 # 7 GLY HA2 8 LYS H 5.00 # 7 GLY HA3 8 LYS H 5.00 # #K8 8 LYS H 8 LYS HA 5.00 # 8 LYS H 8 LYS HB2 5.00 # 8 LYS H 8 LYS HB3 5.00 # 8 LYS H 8 LYS HG2 5.00 # 8 LYS H 8 LYS HG3 5.00 # 8 LYS H 9 PRO HD2 5.00 # 8 LYS H 9 PRO HD3 5.00 # # 8 LYS HA 8 LYS HB2 5.00 # # 8 LYS HA 8 LYS HB3 5.00 # 8 LYS HA 8 LYS HG2 5.00 # 8 LYS HA 8 LYS HG3 5.00 # 8 LYS HA 8 LYS QD 5.00 # 8 LYS HA 9 PRO HG2 5.00 # 8 LYS HA 9 PRO HG3 5.00 # 8 LYS HA 9 PRO HD2 5.00 # 8 LYS HA 9 PRO HD3 5.00 # # 8 LYS HB2 8 LYS HG2 5.00 # # 8 LYS HB2 8 LYS HG3 5.00 # # 8 LYS HB3 8 LYS HG2 5.00 # # 8 LYS HB3 8 LYS HG3 5.00 # 8 LYS HB2 9 PRO HD2 5.00 # 8 LYS HB2 9 PRO HD3 5.00 # 8 LYS HB3 9 PRO HD2 5.00 # 8 LYS HB3 9 PRO HD3 5.00 # # 8 LYS HG2 8 LYS QD 5.00 # # 8 LYS HG3 8 LYS QD 5.00 # 8 LYS QG 8 LYS QE 5.00 # 8 LYS HG2 9 PRO HD2 5.00 # 8 LYS HG2 9 PRO HD3 5.00 # 8 LYS HG3 9 PRO HD2 5.00 # 8 LYS HG3 9 PRO HD3 5.00 # # 8 LYS QD 8 LYS QE 5.00 # 8 LYS QD 9 PRO QD 5.00 # #P9 # 9 PRO HA 9 PRO HB2 5.00 # # 9 PRO HA 9 PRO HB3 5.00 # # 9 PRO HA 9 PRO HG2 5.00 # # 9 PRO HA 9 PRO HG3 5.00 # # 9 PRO HA 9 PRO HD2 5.00 # # 9 PRO HA 9 PRO HD3 5.00 # 9 PRO HA 10 SER H 2.90 # 9 PRO HA 10 SER QB 5.00 # # 9 PRO HB2 9 PRO HG2 5.00 # # 9 PRO HB2 9 PRO HG3 5.00 # # 9 PRO HB3 9 PRO HG2 5.00 # # 9 PRO HB3 9 PRO HG3 5.00 # # 9 PRO HB2 9 PRO HD2 5.00 # # 9 PRO HB2 9 PRO HD3 5.00 # # 9 PRO HB3 9 PRO HD2 5.00 # # 9 PRO HB3 9 PRO HD3 5.00 # 9 PRO HB2 10 SER H 5.00 # 9 PRO HB3 10 SER H 5.00 # # 9 PRO HG2 9 PRO HD2 5.00 # # 9 PRO HG2 9 PRO HD3 5.00 # # 9 PRO HG3 9 PRO HD2 5.00 # # 9 PRO HG3 9 PRO HD3 5.00 # #S10 10 SER H 10 SER HA 5.00 # 10 SER H 10 SER QB 3.50 # # 10 SER H 11 THR H 5.00 # # 10 SER HA 10 SER QB 3.50 # 10 SER HA 11 THR H 3.50 # 10 SER HA 11 THR HB 5.00 # 10 SER QB 11 THR H 3.50 # #T11 11 THR H 11 THR HA 3.50 # 11 THR H 11 THR HB 3.50 # 11 THR H 11 THR QG2 5.00 # 11 THR H 12 VAL QG1 5.00 # 11 THR H 12 VAL QG2 5.00 # # 11 THR HA 11 THR HB 3.50 # 11 THR HA 11 THR QG2 5.00 # 11 THR HA 12 VAL H 2.90 # 11 THR HA 12 VAL HA 5.00 # 11 THR HA 12 VAL QQG 5.00 # # 11 THR HB 11 THR QG2 5.00 # 11 THR HB 12 VAL H 5.00 # 11 THR QG2 12 VAL H 5.00 # 11 THR QG2 12 VAL HA 5.00 # 11 THR QG2 13 ASP H 5.00 # 11 THR QG2 13 ASP HA 5.00 # #V12 12 VAL H 12 VAL HA 5.00 # 12 VAL H 12 VAL HB 5.00 # 12 VAL H 12 VAL QG1 5.00 # 12 VAL H 12 VAL QQG 5.00 # 12 VAL H 13 ASP H 5.00 # # 12 VAL HA 12 VAL HB 5.00 # 12 VAL HA 12 VAL QG1 5.00 # 12 VAL HA 12 VAL QG2 5.00 # 12 VAL HA 13 ASP H 2.90 # 12 VAL HA 13 ASP HB2 5.00 # 12 VAL HA 13 ASP HB3 5.00 # # 12 VAL HB 12 VAL QG1 5.00 # # 12 VAL HB 12 VAL QG2 5.00 # 12 VAL HB 13 ASP H 5.00 # 12 VAL QG1 13 ASP H 5.00 # 12 VAL QQG 13 ASP H 5.00 # 12 VAL QG1 15 ALA QB 5.00 # 12 VAL QG2 15 ALA QB 5.00 # #D13 13 ASP H 13 ASP HA 5.00 # 13 ASP H 13 ASP HB2 3.50 # 13 ASP H 13 ASP HB3 3.50 # 13 ASP H 14 GLY H 5.00 # # 13 ASP HA 13 ASP HB2 3.50 # # 13 ASP HA 13 ASP HB3 3.50 # 13 ASP HA 14 GLY H 2.90 # 13 ASP HA 14 GLY QA 5.00 # 13 ASP HA 15 ALA H 5.00 # 13 ASP HB2 14 GLY H 5.00 # 13 ASP HB3 14 GLY H 5.00 # #G14 14 GLY H 14 GLY HA2 5.00 # 14 GLY H 14 GLY HA3 5.00 # 14 GLY H 15 ALA H 5.00 # 14 GLY HA2 15 ALA H 5.00 # 14 GLY HA3 15 ALA H 5.00 # #A15 15 ALA H 15 ALA HA 5.00 # 15 ALA H 15 ALA QB 5.00 # 15 ALA H 16 GLU H 5.00 # # 15 ALA HA 15 ALA QB 5.00 # 15 ALA HA 16 GLU H 5.00 # 15 ALA HA 16 GLU HA 5.00 # 15 ALA HA 17 SER H 5.00 # 15 ALA QB 16 GLU H 5.00 # 15 ALA QB 16 GLU HA 5.00 # 15 ALA QB 17 SER H 5.00 # 15 ALA QB 18 LEU QD1 5.00 # 15 ALA QB 18 LEU QD2 5.00 # #E16 16 GLU H 16 GLU HA 5.00 # 16 GLU H 16 GLU HB2 5.00 # 16 GLU H 16 GLU HB3 5.00 # 16 GLU H 17 SER H 3.50 # # 16 GLU HA 16 GLU HB2 5.00 # # 16 GLU HA 16 GLU HB3 5.00 # 16 GLU HA 16 GLU HG2 5.00 # 16 GLU HA 16 GLU HG3 5.00 # 16 GLU HA 17 SER H 5.00 # # 16 GLU HB2 16 GLU QG 5.00 # # 16 GLU HB3 16 GLU QG 5.00 # # 16 GLU HB3 16 GLU QG 5.00 # 16 GLU HB2 17 SER H 5.00 # 16 GLU HB3 17 SER H 5.00 # 16 GLU QG 17 SER H 5.00 # #S17 17 SER H 17 SER HA 5.00 # 17 SER H 17 SER QB 5.00 # 17 SER H 18 LEU H 5.00 # 17 SER H 18 LEU QB 5.00 # 17 SER H 18 LEU HG 5.00 # 17 SER H 18 LEU QD1 5.00 # 17 SER H 18 LEU QD2 5.00 # # 17 SER HA 17 SER QB 3.50 # 17 SER HA 18 LEU H 3.50 # 17 SER QB 18 LEU H 3.50 # 17 SER QB 53 THR QG2 5.00 # #L18 18 LEU H 18 LEU HA 5.00 # 18 LEU H 18 LEU HB2 5.00 # 18 LEU H 18 LEU HB3 5.00 # 18 LEU H 18 LEU QD1 5.00 # 18 LEU H 18 LEU QQD 5.00 # # 18 LEU H 19 ASN H 5.00 # 18 LEU H 53 THR QG2 5.00 # 18 LEU H 54 VAL H 5.00 # 18 LEU H 54 VAL HB 5.00 # 18 LEU H 54 VAL QQG 5.00 # # 18 LEU HA 18 LEU HB2 5.00 # # 18 LEU HA 18 LEU HB3 5.00 # 18 LEU HA 18 LEU HG 5.00 # 18 LEU HA 18 LEU QD1 5.00 # 18 LEU HA 18 LEU QD2 5.00 # 18 LEU HA 19 ASN H 2.90 # 18 LEU HA 22 GLU QB 5.00 # # 18 LEU HB2 18 LEU HG 5.00 # # 18 LEU HB3 18 LEU HG 5.00 # 18 LEU HB2 18 LEU QD1 5.00 # 18 LEU HB2 18 LEU QD2 5.00 # 18 LEU HB3 18 LEU QD1 5.00 # 18 LEU HB3 18 LEU QD2 5.00 # 18 LEU HB2 19 ASN H 5.00 # 18 LEU HB3 19 ASN H 5.00 # 18 LEU QB 22 GLU H 5.00 # 18 LEU HB2 22 GLU QB 5.00 # 18 LEU HB3 22 GLU QB 5.00 # 18 LEU HB3 22 GLU QB 5.00 # 18 LEU QB 22 GLU QG 5.00 # 18 LEU HB2 23 LEU H 5.00 # 18 LEU HB3 23 LEU H 5.00 # 18 LEU QB 54 VAL HB 5.00 # # 18 LEU HG 18 LEU QD1 5.00 # # 18 LEU HG 18 LEU QD2 5.00 # 18 LEU HG 19 ASN H 5.00 # # 18 LEU QQD 18 LEU QQD 5.00 # 18 LEU QQD 19 ASN H 5.00 # 18 LEU QD2 19 ASN H 5.00 # 18 LEU QD1 22 GLU QB 5.00 # 18 LEU QD1 22 GLU QB 5.00 # 18 LEU QD2 22 GLU QB 5.00 # 18 LEU QQD 22 GLU QG 5.00 # 18 LEU QD1 23 LEU H 5.00 # 18 LEU QD2 23 LEU H 5.00 # 18 LEU QD1 23 LEU HA 5.00 # 18 LEU QD2 23 LEU HA 5.00 # 18 LEU QQD 23 LEU HB2 5.00 # 18 LEU QQD 23 LEU HB3 5.00 # 18 LEU QQD 23 LEU HG 5.00 # 18 LEU QQD 26 ALA QB 5.00 # #N19 19 ASN H 19 ASN HA 5.00 # 19 ASN H 19 ASN HB2 5.00 # 19 ASN H 19 ASN HB3 5.00 # 19 ASN H 19 ASN HD21 5.00 # 19 ASN H 19 ASN HD22 5.00 # 19 ASN H 20 VAL H 5.00 # 19 ASN H 22 GLU HB2 5.00 # 19 ASN H 22 GLU HB3 5.00 # 19 ASN H 22 GLU QG 5.00 # 19 ASN H 23 LEU H 5.00 # 19 ASN H 53 THR HA 5.00 # 19 ASN H 53 THR QG2 5.00 # 19 ASN H 54 VAL H 5.00 # # 19 ASN HA 19 ASN HB2 5.00 # # 19 ASN HA 19 ASN HB3 5.00 # 19 ASN HA 19 ASN HD21 5.00 # 19 ASN HA 19 ASN HD22 5.00 # 19 ASN HA 20 VAL H 3.50 # 19 ASN HA 20 VAL QQG 5.00 # 19 ASN HA 21 THR H 5.00 # 19 ASN HA 53 THR HA 3.50 # 19 ASN HA 53 THR QG2 5.00 # 19 ASN HA 54 VAL H 5.00 # 19 ASN HA 54 VAL HB 5.00 # 19 ASN HA 54 VAL QQG 5.00 # 19 ASN HB2 19 ASN HD21 5.00 # 19 ASN HB2 19 ASN HD22 5.00 # 19 ASN HB3 19 ASN HD21 5.00 # 19 ASN HB3 19 ASN HD22 5.00 # 19 ASN HB2 20 VAL H 5.00 # 19 ASN HB3 20 VAL H 5.00 # 19 ASN HB2 21 THR H 5.00 # 19 ASN HB3 21 THR H 5.00 # 19 ASN QB 22 GLU H 5.00 # 19 ASN QB 50 ASP HA 5.00 # 19 ASN HB2 52 THR H 5.00 # 19 ASN HB3 52 THR H 5.00 # 19 ASN HB2 53 THR HA 5.00 # 19 ASN HB3 53 THR HA 5.00 # 19 ASN HD21 21 THR HB 5.00 # 19 ASN HD22 21 THR HB 5.00 # 19 ASN HD21 22 GLU H 5.00 # 19 ASN HD22 22 GLU H 5.00 # 19 ASN HD21 22 GLU QG 5.00 # 19 ASN HD22 22 GLU QG 5.00 # 19 ASN HD21 50 ASP HA 5.00 # 19 ASN HD22 50 ASP HA 5.00 # #V20 20 VAL H 20 VAL HA 5.00 # 20 VAL H 20 VAL HB 5.00 # 20 VAL H 20 VAL QG1 5.00 # 20 VAL H 20 VAL QG2 5.00 # 20 VAL H 21 THR H 3.50 # # 20 VAL H 22 GLU H 5.00 # 20 VAL H 23 LEU H 5.00 # 20 VAL H 49 PHE HA 5.00 # 20 VAL H 52 THR HB 5.00 # 20 VAL H 52 THR QG2 5.00 # 20 VAL H 53 THR HA 5.00 # 20 VAL H 54 VAL QQG 5.00 # # 20 VAL HA 20 VAL HB 5.00 # 20 VAL HA 20 VAL QG1 5.00 # 20 VAL HA 20 VAL QG2 5.00 # 20 VAL HA 21 THR H 5.00 # 20 VAL HA 22 GLU H 5.00 # 20 VAL HA 23 LEU H 5.00 # 20 VAL HA 23 LEU HB2 5.00 # 20 VAL HA 23 LEU HB3 5.00 # 20 VAL HA 23 LEU QQD 5.00 # 20 VAL HA 24 LEU H 5.00 # 20 VAL HA 54 VAL QG1 5.00 # 20 VAL HA 54 VAL QG2 5.00 # # 20 VAL HB 20 VAL QG1 5.00 # # 20 VAL HB 20 VAL QG2 5.00 # 20 VAL HB 21 THR H 5.00 # 20 VAL HB 49 PHE H 5.00 # 20 VAL HB 49 PHE HA 5.00 # 20 VAL HB 49 PHE HB3 5.00 # 20 VAL HB 49 PHE QD 5.00 # 20 VAL HB 52 THR HB 5.00 # 20 VAL HB 52 THR QG2 5.00 # # 20 VAL QQG 20 VAL QQG 5.00 # 20 VAL QG1 21 THR H 5.00 # 20 VAL QG2 21 THR H 5.00 # 20 VAL QQG 21 THR HA 5.00 # 20 VAL QQG 23 LEU H 5.00 # 20 VAL QQG 24 LEU H 5.00 # 20 VAL QQG 24 LEU HG 5.00 # 20 VAL QQG 24 LEU QD1 5.00 # 20 VAL QQG 24 LEU QD2 5.00 # 20 VAL QQG 35 VAL QG1 5.00 # 20 VAL QQG 35 VAL QG2 5.00 # 20 VAL QQG 37 VAL QG2 5.00 # 20 VAL QQG 44 LEU HG 5.00 # 20 VAL QG1 49 PHE H 5.00 # 20 VAL QG2 49 PHE H 5.00 # 20 VAL QG1 49 PHE HA 5.00 # 20 VAL QG2 49 PHE HA 5.00 # 20 VAL QG1 49 PHE HB2 5.00 # 20 VAL QG1 49 PHE HB3 5.00 # 20 VAL QG2 49 PHE HB2 5.00 # 20 VAL QG2 49 PHE HB3 5.00 # 20 VAL QG1 49 PHE QD 5.00 # 20 VAL QQG 49 PHE QD 5.00 # 20 VAL QG1 49 PHE QE 5.00 # 20 VAL QG2 49 PHE QE 5.00 # 20 VAL QQG 52 THR H 5.00 # 20 VAL QQG 52 THR HB 5.00 # 20 VAL QQG 52 THR QG2 5.00 # 20 VAL QQG 53 THR H 5.00 # 20 VAL QQG 53 THR HA 5.00 # #T21 21 THR H 21 THR HA 3.50 # 21 THR H 21 THR HB 3.50 # 21 THR H 21 THR QG2 5.00 # 21 THR H 22 GLU H 5.00 # 21 THR H 22 GLU QB 5.00 # # 21 THR H 23 LEU H 5.00 # 21 THR H 49 PHE HA 5.00 # 21 THR H 49 PHE HB2 5.00 # 21 THR H 49 PHE HB3 5.00 # 21 THR H 49 PHE QD 5.00 # 21 THR H 50 ASP HA 5.00 # # 21 THR HA 21 THR HB 5.00 # 21 THR HA 21 THR QG2 5.00 # 21 THR HA 22 GLU H 5.00 # 21 THR HA 23 LEU H 5.00 # 21 THR HA 24 LEU H 5.00 # 21 THR HA 24 LEU HB2 5.00 # 21 THR HA 24 LEU HB3 5.00 # 21 THR HA 24 LEU HG 5.00 # 21 THR HA 24 LEU QQD 5.00 # 21 THR HA 25 SER H 5.00 # 21 THR HA 49 PHE QD 5.00 # # 21 THR HB 21 THR QG2 5.00 # 21 THR HB 22 GLU H 3.50 # 21 THR HB 22 GLU QG 5.00 # 21 THR QG2 22 GLU H 5.00 # 21 THR QG2 22 GLU HA 5.00 # 21 THR QG2 22 GLU QG 5.00 # 21 THR QG2 25 SER QB 5.00 # 21 THR QG2 49 PHE QD 5.00 # 21 THR QG2 50 ASP QB 5.00 # #E22 22 GLU H 22 GLU HA 3.50 # 22 GLU H 22 GLU HB2 3.50 # 22 GLU H 22 GLU HB3 3.50 # 22 GLU H 22 GLU HG2 5.00 # 22 GLU H 22 GLU HG3 5.00 # 22 GLU H 23 LEU H 2.90 # # 22 GLU H 24 LEU H 5.00 # 22 GLU H 25 SER QB 5.00 # # 22 GLU HA 22 GLU HB2 5.00 # # 22 GLU HA 22 GLU HB3 5.00 # 22 GLU HA 22 GLU HG2 5.00 # 22 GLU HA 22 GLU HG3 5.00 # 22 GLU HA 23 LEU H 5.00 # 22 GLU HA 25 SER H 5.00 # 22 GLU HA 26 ALA H 5.00 # # 22 GLU HB2 22 GLU QG 5.00 # # 22 GLU HB3 22 GLU QG 5.00 # 22 GLU HB2 23 LEU H 5.00 # 22 GLU HB3 23 LEU H 5.00 # 22 GLU QB 25 SER QB 5.00 # 22 GLU QG 23 LEU H 5.00 # #L23 23 LEU H 23 LEU HA 3.50 # 23 LEU H 23 LEU HB2 5.00 # 23 LEU H 23 LEU HB3 5.00 # 23 LEU H 23 LEU HG 5.00 # 23 LEU H 23 LEU QD1 5.00 # 23 LEU H 23 LEU QD2 5.00 # 23 LEU H 24 LEU H 5.00 # # 23 LEU H 25 SER H 5.00 # # 23 LEU HA 23 LEU HB2 5.00 # # 23 LEU HA 23 LEU HB3 5.00 # 23 LEU HA 23 LEU HG 5.00 # 23 LEU HA 23 LEU QQD 5.00 # 23 LEU HA 24 LEU H 5.00 # 23 LEU HA 25 SER H 5.00 # 23 LEU HA 26 ALA H 5.00 # 23 LEU HA 26 ALA QB 5.00 # 23 LEU HA 27 LEU H 5.00 # # 23 LEU HB2 23 LEU HG 5.00 # # 23 LEU HB3 23 LEU HG 5.00 # 23 LEU QB 23 LEU QD1 5.00 # 23 LEU QB 23 LEU QD2 5.00 # 23 LEU QB 23 LEU QD1 5.00 # 23 LEU HB2 24 LEU H 5.00 # 23 LEU HB3 24 LEU H 5.00 # 23 LEU QB 54 VAL HB 5.00 # 23 LEU HB2 54 VAL QG1 5.00 # 23 LEU HB2 54 VAL QG2 5.00 # 23 LEU HB3 54 VAL QG1 5.00 # 23 LEU HB3 54 VAL QG2 5.00 # # 23 LEU HG 23 LEU QQD 5.00 # 23 LEU HG 24 LEU H 5.00 # #L24 24 LEU H 24 LEU HA 5.00 # 24 LEU H 24 LEU HB2 5.00 # 24 LEU H 24 LEU HB3 5.00 # 24 LEU H 24 LEU HG 5.00 # 24 LEU H 24 LEU QD1 5.00 # 24 LEU H 24 LEU QD2 5.00 # 24 LEU H 25 SER H 3.50 # 24 LEU H 25 SER QB 5.00 # # 24 LEU H 26 ALA H 5.00 # 24 LEU H 26 ALA QB 5.00 # # 24 LEU HA 24 LEU HB2 5.00 # # 24 LEU HA 24 LEU HB3 5.00 # 24 LEU HA 24 LEU HG 5.00 # 24 LEU HA 24 LEU QD1 5.00 # 24 LEU HA 24 LEU QD2 5.00 # 24 LEU HA 25 SER H 5.00 # 24 LEU HA 26 ALA H 5.00 # 24 LEU HA 27 LEU H 5.00 # 24 LEU HA 27 LEU QB 5.00 # 24 LEU HA 29 VAL H 5.00 # 24 LEU HA 29 VAL HB 5.00 # 24 LEU HA 62 PHE QE 5.00 # # 24 LEU QB 24 LEU HG 5.00 # 24 LEU HB2 24 LEU QD1 5.00 # 24 LEU HB2 24 LEU QD2 5.00 # 24 LEU HB3 24 LEU QD1 5.00 # 24 LEU HB3 24 LEU QD2 5.00 # 24 LEU HB2 25 SER H 5.00 # 24 LEU HB3 25 SER H 5.00 # 24 LEU QB 25 SER QB 5.00 # 24 LEU QB 32 ALA QB 5.00 # # 24 LEU HG 24 LEU QD1 5.00 # # 24 LEU HG 24 LEU QD2 5.00 # 24 LEU HG 25 SER H 5.00 # # 24 LEU QQD 24 LEU QQD 5.00 # 24 LEU QD1 25 SER H 5.00 # 24 LEU QD2 25 SER H 5.00 # 24 LEU QQD 29 VAL H 5.00 # 24 LEU QQD 29 VAL QG1 5.00 # 24 LEU QQD 32 ALA HA 5.00 # 24 LEU QD1 32 ALA QB 5.00 # 24 LEU QD2 32 ALA QB 5.00 # 24 LEU QD1 49 PHE QD 5.00 # 24 LEU QQD 49 PHE QD 5.00 # 24 LEU QD1 49 PHE QE 5.00 # 24 LEU QD2 49 PHE QE 5.00 # #S25 25 SER H 25 SER HA 3.50 # 25 SER H 25 SER QB 2.90 # 25 SER H 26 ALA H 3.50 # 25 SER H 26 ALA QB 5.00 # 25 SER H 27 LEU H 5.00 # # 25 SER HA 25 SER QB 2.90 # 25 SER HA 26 ALA H 5.00 # 25 SER HA 28 LYS H 5.00 # 25 SER HA 28 LYS HA 5.00 # 25 SER HA 29 VAL H 5.00 # 25 SER QB 26 ALA H 3.50 # 25 SER QB 26 ALA HA 5.00 # 25 SER QB 26 ALA QB 5.00 # #A26 26 ALA H 26 ALA HA 5.00 # 26 ALA H 26 ALA QB 5.00 # 26 ALA H 27 LEU H 3.50 # 26 ALA H 27 LEU QB 5.00 # 26 ALA H 28 LYS H 5.00 # # 26 ALA HA 26 ALA QB 5.00 # 26 ALA HA 27 LEU H 5.00 # 26 ALA HA 28 LYS H 5.00 # 26 ALA QB 27 LEU H 5.00 # 26 ALA QB 28 LYS H 5.00 # #L27 27 LEU H 27 LEU HA 5.00 # 27 LEU H 27 LEU QB 3.50 # 27 LEU H 27 LEU HG 5.00 # 27 LEU H 27 LEU QQD 5.00 # 27 LEU H 27 LEU QD2 5.00 # 27 LEU H 28 LYS H 3.50 # 27 LEU H 28 LYS HA 5.00 # 27 LEU H 29 VAL H 5.00 # # 27 LEU HA 27 LEU QB 5.00 # 27 LEU HA 27 LEU HG 5.00 # 27 LEU HA 27 LEU QD1 5.00 # 27 LEU HA 27 LEU QD2 5.00 # 27 LEU HA 28 LYS H 5.00 # # 27 LEU QB 27 LEU HG 5.00 # 27 LEU QB 27 LEU QD1 5.00 # 27 LEU QB 27 LEU QD2 5.00 # 27 LEU QB 28 LYS H 5.00 # 27 LEU QB 29 VAL H 5.00 # # 27 LEU HG 27 LEU QD1 5.00 # # 27 LEU HG 27 LEU QD2 5.00 # # 27 LEU QQD 27 LEU QQD 5.00 # 27 LEU QQD 28 LYS H 5.00 # 27 LEU QD2 28 LYS H 5.00 # 27 LEU QQD 29 VAL H 5.00 # 27 LEU QQD 62 PHE QE 5.00 # 27 LEU QQD 62 PHE QE 5.00 # #K28 28 LYS H 28 LYS HA 2.90 # 28 LYS H 28 LYS HB2 5.00 # 28 LYS H 28 LYS HB3 5.00 # 28 LYS H 28 LYS QG 5.00 # 28 LYS H 29 VAL H 3.50 # # 28 LYS HA 28 LYS HB2 5.00 # # 28 LYS HA 28 LYS HB3 5.00 # 28 LYS HA 28 LYS QG 5.00 # 28 LYS HA 29 VAL H 3.50 # # 28 LYS HB2 28 LYS QG 5.00 # # 28 LYS HB3 28 LYS QG 5.00 # 28 LYS HB2 29 VAL H 5.00 # 28 LYS HB3 29 VAL H 5.00 # # 28 LYS QG 28 LYS QD 5.00 # 28 LYS QG 28 LYS QE 5.00 # 28 LYS QG 29 VAL H 5.00 # # 28 LYS QD 28 LYS QE 5.00 # #V29 29 VAL H 29 VAL HA 5.00 # 29 VAL H 29 VAL HB 3.50 # 29 VAL H 29 VAL QG1 5.00 # 29 VAL H 29 VAL QG2 5.00 # 29 VAL H 30 ALA H 5.00 # # 29 VAL HA 29 VAL HB 5.00 # 29 VAL HA 29 VAL QG1 5.00 # 29 VAL HA 29 VAL QG2 5.00 # 29 VAL HA 30 ALA H 2.90 # 29 VAL HA 30 ALA HA 5.00 # 29 VAL HA 30 ALA QB 5.00 # # 29 VAL HB 29 VAL QG1 5.00 # # 29 VAL HB 29 VAL QG2 5.00 # 29 VAL HB 30 ALA H 5.00 # # 29 VAL QG1 29 VAL QG2 5.00 # 29 VAL QG1 30 ALA H 5.00 # 29 VAL QG2 30 ALA H 5.00 # 29 VAL QG1 30 ALA HA 5.00 # 29 VAL QG1 30 ALA QB 5.00 # 29 VAL QG1 31 GLN H 5.00 # 29 VAL QG1 32 ALA H 5.00 # 29 VAL QG1 32 ALA HA 5.00 # 29 VAL QG1 32 ALA QB 5.00 # 29 VAL QG1 35 VAL QG1 5.00 # 29 VAL QG1 35 VAL QG2 5.00 # 29 VAL QG2 62 PHE QE 5.00 # 29 VAL QG1 62 PHE HZ 5.00 # 29 VAL QG2 62 PHE HZ 5.00 # #A30 30 ALA H 30 ALA HA 5.00 # 30 ALA H 30 ALA QB 5.00 # 30 ALA H 31 GLN H 5.00 # # 30 ALA HA 30 ALA QB 5.00 # 30 ALA HA 31 GLN H 5.00 # 30 ALA HA 31 GLN QG 5.00 # 30 ALA QB 31 GLN H 5.00 # 30 ALA QB 31 GLN HA 5.00 # 30 ALA QB 31 GLN HB2 5.00 # 30 ALA QB 31 GLN HB3 5.00 # 30 ALA QB 31 GLN QG 5.00 # 30 ALA QB 31 GLN HE21 5.00 # 30 ALA QB 31 GLN HE22 5.00 # #Q31 31 GLN H 31 GLN HA 3.50 # 31 GLN H 31 GLN HB2 5.00 # 31 GLN H 31 GLN HB3 5.00 # 31 GLN H 31 GLN QG 5.00 # 31 GLN H 32 ALA H 5.00 # # 31 GLN HA 31 GLN HB2 5.00 # # 31 GLN HA 31 GLN HB3 5.00 # 31 GLN HA 31 GLN QG 5.00 # 31 GLN HA 32 ALA H 3.50 # 31 GLN HA 32 ALA HA 5.00 # 31 GLN HA 32 ALA QB 5.00 # 31 GLN HA 33 GLU H 5.00 # 31 GLN HA 34 TYR H 5.00 # 31 GLN HA 34 TYR QD 5.00 # 31 GLN HA 34 TYR QE 5.00 # # 31 GLN HB2 31 GLN QG 5.00 # # 31 GLN HB3 31 GLN QG 5.00 # 31 GLN QB 31 GLN QE2 5.00 # 31 GLN HB2 32 ALA H 5.00 # 31 GLN HB3 32 ALA H 5.00 # 31 GLN HB2 34 TYR H 5.00 # 31 GLN HB3 34 TYR H 5.00 # 31 GLN HB2 34 TYR HB2 5.00 # 31 GLN HB2 34 TYR HB3 5.00 # 31 GLN HB3 34 TYR HB2 5.00 # 31 GLN HB3 34 TYR HB3 5.00 # 31 GLN HB2 34 TYR QD 5.00 # 31 GLN HB3 34 TYR QD 5.00 # 31 GLN QB 34 TYR QE 5.00 # 31 GLN QG 31 GLN HE21 5.00 # 31 GLN QG 31 GLN HE22 5.00 # 31 GLN QG 32 ALA H 5.00 # 31 GLN QG 34 TYR H 5.00 # 31 GLN QG 34 TYR QD 5.00 # 31 GLN QG 34 TYR QE 5.00 # 31 GLN QE2 34 TYR QB 5.00 # #A32 32 ALA H 32 ALA HA 5.00 # 32 ALA H 32 ALA QB 5.00 # 32 ALA H 33 GLU H 5.00 # 32 ALA H 34 TYR QE 5.00 # 32 ALA H 35 VAL QQG 5.00 # # 32 ALA HA 32 ALA QB 5.00 # 32 ALA HA 33 GLU H 5.00 # 32 ALA HA 34 TYR H 5.00 # 32 ALA HA 35 VAL HB 5.00 # 32 ALA HA 35 VAL QQG 5.00 # 32 ALA QB 33 GLU H 5.00 # 32 ALA QB 34 TYR H 5.00 # #E33 33 GLU H 33 GLU HA 5.00 # 33 GLU H 33 GLU QB 5.00 # 33 GLU H 33 GLU HG2 5.00 # 33 GLU H 33 GLU HG3 5.00 # 33 GLU H 34 TYR H 5.00 # # 33 GLU HA 33 GLU QB 3.50 # 33 GLU HA 33 GLU HG2 5.00 # 33 GLU HA 33 GLU HG3 5.00 # 33 GLU HA 34 TYR H 5.00 # # 33 GLU QB 33 GLU QG 5.00 # 33 GLU QB 34 TYR H 5.00 # 33 GLU QB 34 TYR QD 5.00 # 33 GLU QB 34 TYR QE 5.00 # 33 GLU HG2 34 TYR H 5.00 # 33 GLU HG3 34 TYR H 5.00 # 33 GLU HG2 34 TYR QD 5.00 # 33 GLU HG3 34 TYR QD 5.00 # 33 GLU HG2 34 TYR QE 5.00 # 33 GLU HG3 34 TYR QE 5.00 # #Y34 34 TYR H 34 TYR HA 5.00 # 34 TYR H 34 TYR HB2 5.00 # 34 TYR H 34 TYR HB3 5.00 # 34 TYR H 34 TYR QD 5.00 # 34 TYR H 34 TYR QE 5.00 # 34 TYR H 35 VAL H 5.00 # 34 TYR H 35 VAL HB 5.00 # 34 TYR H 35 VAL QQG 5.00 # # 34 TYR HA 34 TYR HB2 5.00 # # 34 TYR HA 34 TYR HB3 5.00 # 34 TYR HA 34 TYR QD 5.00 # 34 TYR HA 35 VAL H 5.00 # 34 TYR HA 35 VAL QQG 5.00 # 34 TYR HB2 34 TYR QD 5.00 # 34 TYR HB3 34 TYR QD 5.00 # 34 TYR QB 34 TYR QE 5.00 # 34 TYR QB 34 TYR QE 5.00 # 34 TYR QB 35 VAL H 5.00 # # 34 TYR QD 34 TYR QE 5.00 # #V35 35 VAL H 35 VAL HB 5.00 # 35 VAL H 35 VAL QQG 5.00 # 35 VAL H 36 THR HA 5.00 # # 35 VAL HA 35 VAL HB 5.00 # 35 VAL HA 35 VAL QG1 5.00 # 35 VAL HA 35 VAL QG2 5.00 # 35 VAL HA 36 THR H 3.50 # 35 VAL HA 65 PHE QE 5.00 # 35 VAL HA 65 PHE HZ 5.00 # # 35 VAL HB 35 VAL QG1 5.00 # # 35 VAL HB 35 VAL QG2 5.00 # 35 VAL HB 36 THR H 5.00 # 35 VAL HB 37 VAL QG1 5.00 # 35 VAL HB 62 PHE HZ 5.00 # # 35 VAL QQG 35 VAL QQG 5.00 # 35 VAL QG1 36 THR H 5.00 # 35 VAL QG2 36 THR H 5.00 # 35 VAL QQG 36 THR HA 5.00 # 35 VAL QG1 37 VAL H 5.00 # 35 VAL QQG 37 VAL H 5.00 # 35 VAL QQG 37 VAL HA 5.00 # 35 VAL QQG 37 VAL QG1 5.00 # 35 VAL QQG 62 PHE QD 5.00 # 35 VAL QQG 62 PHE QE 5.00 # 35 VAL QQG 62 PHE QE 5.00 # 35 VAL QQG 62 PHE HZ 5.00 # 35 VAL QQG 65 PHE HZ 5.00 # #T36 36 THR H 36 THR HA 5.00 # 36 THR H 36 THR HB 5.00 # 36 THR H 36 THR QG2 5.00 # 36 THR H 37 VAL H 5.00 # 36 THR H 37 VAL QG1 5.00 # 36 THR H 65 PHE QE 5.00 # # 36 THR HA 36 THR HB 5.00 # 36 THR HA 36 THR QG2 5.00 # 36 THR HA 37 VAL H 3.50 # 36 THR HA 37 VAL QG1 5.00 # 36 THR HA 37 VAL QG2 5.00 # 36 THR HA 65 PHE HZ 5.00 # # 36 THR HB 36 THR QG2 5.00 # 36 THR HB 37 VAL H 5.00 # 36 THR HB 63 LEU H 5.00 # 36 THR HB 63 LEU HG 5.00 # 36 THR QG2 37 VAL H 5.00 # 36 THR QG2 43 VAL HA 5.00 # 36 THR QG2 43 VAL HB 5.00 # 36 THR QG2 43 VAL QG1 5.00 # 36 THR QG2 43 VAL QG2 5.00 # 36 THR QG2 65 PHE QD 5.00 # #V37 37 VAL H 37 VAL QG1 5.00 # 37 VAL H 37 VAL QG2 5.00 # 37 VAL H 44 LEU H 5.00 # 37 VAL H 49 PHE QE 5.00 # # 37 VAL HA 37 VAL HB 5.00 # 37 VAL HA 37 VAL QG1 5.00 # 37 VAL HA 37 VAL QG2 5.00 # 37 VAL HA 38 GLU H 2.90 # 37 VAL HA 43 VAL QQG 5.00 # 37 VAL HA 61 GLU H 5.00 # # 37 VAL HB 37 VAL QG1 5.00 # # 37 VAL HB 37 VAL QG2 5.00 # 37 VAL HB 38 GLU H 5.00 # 37 VAL HB 61 GLU H 5.00 # # 37 VAL QG1 37 VAL QG2 5.00 # 37 VAL QG1 38 GLU H 5.00 # 37 VAL QG2 38 GLU H 5.00 # 37 VAL QG2 39 LEU H 5.00 # 37 VAL QG2 44 LEU H 5.00 # 37 VAL QG2 44 LEU HG 5.00 # 37 VAL QG1 62 PHE QD 5.00 # 37 VAL QG1 62 PHE QE 5.00 # #E38 38 GLU H 38 GLU HA 5.00 # 38 GLU H 38 GLU HB2 5.00 # 38 GLU H 38 GLU HB3 5.00 # 38 GLU H 38 GLU HG2 5.00 # 38 GLU H 38 GLU HG3 5.00 # 38 GLU H 39 LEU QQD 5.00 # 38 GLU H 43 VAL QQG 5.00 # 38 GLU H 61 GLU HB2 5.00 # 38 GLU H 61 GLU HB3 5.00 # # 38 GLU HA 38 GLU HB2 5.00 # # 38 GLU HA 38 GLU HB3 5.00 # 38 GLU HA 38 GLU HG2 5.00 # 38 GLU HA 38 GLU HG3 5.00 # 38 GLU HA 39 LEU H 3.50 # 38 GLU HA 39 LEU QQD 5.00 # 38 GLU HA 42 GLU H 5.00 # 38 GLU HA 43 VAL HA 3.50 # 38 GLU HA 43 VAL QQG 5.00 # 38 GLU HA 44 LEU H 5.00 # 38 GLU HA 44 LEU QQD 5.00 # # 38 GLU QB 38 GLU QG 5.00 # 38 GLU HB2 39 LEU H 5.00 # 38 GLU HB3 39 LEU H 5.00 # 38 GLU QB 41 GLY H 5.00 # 38 GLU HB2 42 GLU H 5.00 # 38 GLU HB3 42 GLU H 5.00 # 38 GLU HB2 43 VAL H 5.00 # 38 GLU HB3 43 VAL H 5.00 # 38 GLU HB2 43 VAL HA 5.00 # 38 GLU HB3 43 VAL HA 5.00 # 38 GLU HB2 43 VAL QG1 5.00 # 38 GLU HB2 43 VAL QG2 5.00 # 38 GLU HB3 43 VAL QG1 5.00 # 38 GLU HB3 43 VAL QG2 5.00 # 38 GLU HB2 44 LEU H 5.00 # 38 GLU HB3 44 LEU H 5.00 # 38 GLU HG2 41 GLY H 5.00 # 38 GLU HG3 41 GLY H 5.00 # 38 GLU HG2 41 GLY QA 5.00 # 38 GLU HG3 41 GLY QA 5.00 # 38 GLU HG3 41 GLY QA 5.00 # 38 GLU HG2 42 GLU H 5.00 # 38 GLU HG3 42 GLU H 5.00 # #L39 39 LEU H 39 LEU HA 5.00 # 39 LEU H 39 LEU HB2 5.00 # 39 LEU H 39 LEU HB3 5.00 # 39 LEU H 39 LEU QQD 5.00 # 39 LEU H 40 ASN H 5.00 # 39 LEU H 42 GLU H 5.00 # 39 LEU H 42 GLU QB 5.00 # 39 LEU H 43 VAL HA 5.00 # 39 LEU H 44 LEU QQD 5.00 # # 39 LEU HA 39 LEU HB2 5.00 # # 39 LEU HA 39 LEU HB3 5.00 # 39 LEU HA 39 LEU QD1 5.00 # 39 LEU HA 39 LEU QD2 5.00 # 39 LEU HA 40 ASN H 3.50 # 39 LEU HA 40 ASN HA 5.00 # 39 LEU HA 41 GLY H 5.00 # 39 LEU HA 42 GLU H 5.00 # 39 LEU HA 59 ALA H 5.00 # 39 LEU HA 59 ALA QB 5.00 # 39 LEU QB 39 LEU QD1 5.00 # 39 LEU QB 39 LEU QD2 5.00 # 39 LEU HB2 40 ASN H 5.00 # 39 LEU HB3 40 ASN H 5.00 # 39 LEU QQD 40 ASN H 5.00 # 39 LEU QQD 40 ASN HA 5.00 # 39 LEU QQD 40 ASN HB2 5.00 # 39 LEU QQD 40 ASN HB3 5.00 # 39 LEU QQD 40 ASN HD21 5.00 # 39 LEU QQD 40 ASN HD22 5.00 # 39 LEU QQD 58 ASP QB 5.00 # 39 LEU QQD 59 ALA H 5.00 # #N40 40 ASN H 40 ASN HA 3.50 # 40 ASN H 40 ASN HB2 5.00 # 40 ASN H 40 ASN HB3 5.00 # 40 ASN H 40 ASN QD2 5.00 # 40 ASN H 41 GLY H 5.00 # 40 ASN H 42 GLU H 5.00 # 40 ASN H 59 ALA H 5.00 # 40 ASN H 59 ALA QB 5.00 # # 40 ASN HA 40 ASN HB2 5.00 # # 40 ASN HA 40 ASN HB3 5.00 # 40 ASN HA 40 ASN QD2 5.00 # 40 ASN HA 41 GLY H 3.50 # 40 ASN HA 42 GLU H 5.00 # 40 ASN HA 59 ALA H 5.00 # 40 ASN HA 59 ALA QB 5.00 # 40 ASN HB2 40 ASN HD21 5.00 # 40 ASN HB2 40 ASN HD22 5.00 # 40 ASN HB3 40 ASN HD21 5.00 # 40 ASN HB3 40 ASN HD22 5.00 # 40 ASN QB 41 GLY H 5.00 # 40 ASN HB2 59 ALA QB 5.00 # 40 ASN HB3 59 ALA QB 5.00 # 40 ASN HD21 58 ASP HA 5.00 # 40 ASN HD22 58 ASP HA 5.00 # 40 ASN HD21 59 ALA H 5.00 # 40 ASN HD22 59 ALA H 5.00 # 40 ASN HD21 59 ALA QB 5.00 # 40 ASN HD22 59 ALA QB 5.00 # #G41 41 GLY H 41 GLY HA2 5.00 # 41 GLY H 41 GLY HA3 5.00 # 41 GLY H 42 GLU H 5.00 # 41 GLY H 59 ALA QB 5.00 # 41 GLY HA2 42 GLU H 5.00 # 41 GLY HA3 42 GLU H 5.00 # #E42 42 GLU H 42 GLU HA 5.00 # 42 GLU H 42 GLU HB2 3.50 # 42 GLU H 42 GLU HB3 3.50 # 42 GLU H 42 GLU HG2 5.00 # 42 GLU H 42 GLU HG3 5.00 # 42 GLU H 43 VAL H 5.00 # # 42 GLU HA 42 GLU HB2 5.00 # # 42 GLU HA 42 GLU HB3 5.00 # 42 GLU HA 42 GLU HG2 5.00 # 42 GLU HA 42 GLU HG3 5.00 # 42 GLU HA 43 VAL H 3.50 # 42 GLU HA 43 VAL HA 5.00 # # 42 GLU HB2 42 GLU QG 5.00 # # 42 GLU HB2 42 GLU QG 5.00 # # 42 GLU HB3 42 GLU QG 5.00 # 42 GLU HB2 43 VAL H 5.00 # 42 GLU HB3 43 VAL H 5.00 # 42 GLU QB 44 LEU QQD 5.00 # 42 GLU HG2 43 VAL H 5.00 # 42 GLU HG3 43 VAL H 5.00 # #V43 43 VAL H 43 VAL HA 3.50 # 43 VAL H 43 VAL HB 3.50 # 43 VAL H 43 VAL QG1 5.00 # 43 VAL H 43 VAL QG2 5.00 # # 43 VAL HA 43 VAL HB 5.00 # 43 VAL HA 43 VAL QG1 5.00 # 43 VAL HA 43 VAL QG2 5.00 # 43 VAL HA 44 LEU H 2.90 # 43 VAL HA 44 LEU HA 5.00 # # 43 VAL HB 43 VAL QG1 5.00 # # 43 VAL HB 43 VAL QG2 5.00 # 43 VAL HB 44 LEU H 5.00 # 43 VAL QQG 44 LEU H 5.00 # 43 VAL QG1 44 LEU HA 5.00 # 43 VAL QG2 44 LEU HA 5.00 # #L44 44 LEU H 44 LEU HA 5.00 # 44 LEU H 44 LEU HB2 5.00 # 44 LEU H 44 LEU HB3 5.00 # 44 LEU H 44 LEU HG 5.00 # 44 LEU H 44 LEU QQD 5.00 # # 44 LEU HA 44 LEU HB2 5.00 # # 44 LEU HA 44 LEU HB3 5.00 # 44 LEU HA 44 LEU HG 5.00 # 44 LEU HA 44 LEU QQD 5.00 # 44 LEU HA 45 GLU H 2.90 # # 44 LEU HB2 44 LEU HG 5.00 # # 44 LEU HB3 44 LEU HG 5.00 # 44 LEU HB2 44 LEU QQD 5.00 # 44 LEU HB3 44 LEU QQD 5.00 # 44 LEU HB2 45 GLU H 5.00 # 44 LEU HB3 45 GLU H 5.00 # 44 LEU QB 48 ALA QB 5.00 # 44 LEU QB 49 PHE H 5.00 # 44 LEU HB2 49 PHE QD 5.00 # 44 LEU HB3 49 PHE QD 5.00 # 44 LEU HB2 49 PHE QE 5.00 # 44 LEU HB3 49 PHE QE 5.00 # # 44 LEU HG 44 LEU QQD 5.00 # 44 LEU HG 49 PHE HA 5.00 # 44 LEU HG 49 PHE QD 5.00 # 44 LEU HG 49 PHE QE 5.00 # 44 LEU HG 52 THR HB 5.00 # 44 LEU HG 52 THR QG2 5.00 # 44 LEU QQD 45 GLU H 5.00 # 44 LEU QQD 48 ALA QB 5.00 # 44 LEU QQD 49 PHE H 5.00 # 44 LEU QQD 49 PHE HA 5.00 # 44 LEU QQD 49 PHE QD 5.00 # 44 LEU QQD 49 PHE QE 5.00 # 44 LEU QQD 52 THR HB 5.00 # 44 LEU QQD 52 THR QG2 5.00 # #E45 45 GLU H 45 GLU HA 3.50 # 45 GLU H 45 GLU HB2 3.50 # 45 GLU H 45 GLU HB3 5.00 # 45 GLU H 45 GLU HG2 5.00 # 45 GLU H 45 GLU HG3 5.00 # 45 GLU H 48 ALA H 5.00 # 45 GLU H 48 ALA QB 5.00 # # 45 GLU HA 45 GLU HB2 5.00 # # 45 GLU HA 45 GLU HB3 5.00 # 45 GLU HA 45 GLU HG2 5.00 # 45 GLU HA 45 GLU HG3 5.00 # 45 GLU HA 46 ARG H 2.90 # 45 GLU HA 46 ARG HA 5.00 # 45 GLU HA 47 GLU H 5.00 # 45 GLU HA 48 ALA QB 5.00 # # 45 GLU HB2 45 GLU QG 5.00 # # 45 GLU HB3 45 GLU QG 5.00 # # 45 GLU HB3 45 GLU QG 5.00 # 45 GLU HB2 46 ARG H 5.00 # 45 GLU HB3 46 ARG H 5.00 # 45 GLU HB2 47 GLU H 5.00 # 45 GLU HB3 47 GLU H 5.00 # 45 GLU HB2 48 ALA H 5.00 # 45 GLU HB3 48 ALA H 5.00 # 45 GLU HB2 48 ALA QB 5.00 # 45 GLU HB3 48 ALA QB 5.00 # 45 GLU QB 49 PHE H 5.00 # 45 GLU HG2 46 ARG H 5.00 # 45 GLU HG3 46 ARG H 5.00 # 45 GLU HG2 47 GLU H 5.00 # 45 GLU HG3 47 GLU H 5.00 # 45 GLU HG2 48 ALA QB 5.00 # 45 GLU HG3 48 ALA QB 5.00 # #R46 46 ARG H 46 ARG HA 3.50 # 46 ARG H 46 ARG HB2 5.00 # 46 ARG H 46 ARG HB3 5.00 # 46 ARG H 46 ARG QG 5.00 # 46 ARG H 46 ARG QD 5.00 # 46 ARG H 47 GLU H 3.50 # 46 ARG H 47 GLU QB 5.00 # 46 ARG H 48 ALA H 5.00 # # 46 ARG HA 46 ARG HB2 5.00 # # 46 ARG HA 46 ARG HB3 5.00 # 46 ARG HA 46 ARG QG 5.00 # 46 ARG HA 46 ARG QD 5.00 # 46 ARG HA 47 GLU H 5.00 # 46 ARG HA 48 ALA H 5.00 # 46 ARG HA 49 PHE H 5.00 # 46 ARG HA 49 PHE QD 5.00 # 46 ARG HA 49 PHE QE 5.00 # # 46 ARG HB2 46 ARG QG 5.00 # # 46 ARG HB3 46 ARG QG 5.00 # 46 ARG HB2 46 ARG QD 5.00 # 46 ARG HB3 46 ARG QD 5.00 # 46 ARG HB2 47 GLU H 5.00 # 46 ARG HB3 47 GLU H 5.00 # 46 ARG QB 47 GLU QB 5.00 # # 46 ARG QG 46 ARG QD 5.00 # 46 ARG QG 47 GLU H 5.00 # #E47 47 GLU H 47 GLU HA 3.50 # 47 GLU H 47 GLU QB 2.90 # 47 GLU H 47 GLU HG2 5.00 # 47 GLU H 47 GLU HG3 5.00 # 47 GLU H 48 ALA H 5.00 # 47 GLU H 48 ALA HA 5.00 # 47 GLU H 48 ALA QB 5.00 # 47 GLU H 49 PHE H 5.00 # # 47 GLU HA 47 GLU QB 3.50 # 47 GLU HA 47 GLU HG2 5.00 # 47 GLU HA 47 GLU HG3 5.00 # 47 GLU HA 48 ALA H 5.00 # 47 GLU HA 49 PHE H 5.00 # # 47 GLU QB 47 GLU HG2 5.00 # # 47 GLU QB 47 GLU HG3 5.00 # 47 GLU QB 48 ALA H 5.00 # 47 GLU QB 48 ALA QB 5.00 # 47 GLU QB 49 PHE H 5.00 # 47 GLU HG2 48 ALA H 5.00 # 47 GLU HG3 48 ALA H 5.00 # #A48 48 ALA H 48 ALA HA 5.00 # 48 ALA H 48 ALA QB 5.00 # 48 ALA H 49 PHE H 2.90 # 48 ALA H 49 PHE QD 5.00 # # 48 ALA HA 48 ALA QB 5.00 # 48 ALA HA 49 PHE H 5.00 # 48 ALA HA 50 ASP H 5.00 # 48 ALA HA 51 ALA H 5.00 # 48 ALA HA 51 ALA QB 5.00 # 48 ALA QB 49 PHE H 5.00 # 48 ALA QB 49 PHE HA 5.00 # 48 ALA QB 49 PHE QD 5.00 # 48 ALA QB 49 PHE QE 5.00 # 48 ALA QB 51 ALA H 5.00 # #F49 49 PHE H 49 PHE HA 5.00 # 49 PHE H 49 PHE HB2 5.00 # 49 PHE H 49 PHE HB3 5.00 # 49 PHE H 49 PHE QD 5.00 # 49 PHE H 49 PHE QE 5.00 # 49 PHE H 50 ASP H 3.50 # 49 PHE H 50 ASP QB 5.00 # 49 PHE H 51 ALA H 5.00 # # 49 PHE HA 49 PHE HB2 5.00 # # 49 PHE HA 49 PHE HB3 5.00 # 49 PHE HA 49 PHE QD 5.00 # 49 PHE HA 49 PHE QE 5.00 # 49 PHE HA 50 ASP H 5.00 # 49 PHE HA 51 ALA H 5.00 # 49 PHE HA 52 THR H 5.00 # 49 PHE HA 52 THR HB 5.00 # 49 PHE HA 52 THR QG2 5.00 # 49 PHE HB2 49 PHE QD 5.00 # 49 PHE HB3 49 PHE QD 5.00 # 49 PHE HB2 49 PHE QE 5.00 # 49 PHE HB2 50 ASP H 5.00 # 49 PHE HB3 50 ASP H 5.00 # # 49 PHE QD 49 PHE QE 5.00 # 49 PHE QD 50 ASP H 5.00 # #D50 50 ASP H 50 ASP HA 5.00 # 50 ASP H 50 ASP QB 3.50 # 50 ASP H 51 ALA H 3.50 # 50 ASP H 51 ALA QB 5.00 # 50 ASP H 52 THR H 5.00 # # 50 ASP HA 50 ASP QB 5.00 # 50 ASP HA 51 ALA H 5.00 # 50 ASP QB 51 ALA H 3.50 # 50 ASP QB 51 ALA HA 5.00 # 50 ASP QB 51 ALA QB 5.00 # #A51 51 ALA H 51 ALA HA 5.00 # 51 ALA H 51 ALA QB 5.00 # 51 ALA H 52 THR H 2.90 # 51 ALA H 52 THR HB 5.00 # # 51 ALA HA 51 ALA QB 5.00 # 51 ALA HA 52 THR H 5.00 # 51 ALA QB 52 THR H 5.00 # 51 ALA QB 52 THR HA 5.00 # #T52 52 THR H 52 THR HA 5.00 # 52 THR H 52 THR HB 3.50 # 52 THR H 52 THR QG2 5.00 # 52 THR H 53 THR H 5.00 # # 52 THR HA 52 THR HB 5.00 # 52 THR HA 52 THR QG2 5.00 # 52 THR HA 53 THR H 2.90 # # 52 THR HB 52 THR QG2 5.00 # 52 THR HB 53 THR H 5.00 # 52 THR QG2 53 THR H 5.00 # 52 THR QG2 54 VAL HA 5.00 # #T53 53 THR H 53 THR HA 5.00 # 53 THR H 53 THR HB 3.50 # 53 THR H 53 THR QG2 5.00 # # 53 THR H 54 VAL H 5.00 # 53 THR H 54 VAL QQG 5.00 # # 53 THR HA 53 THR HB 5.00 # 53 THR HA 53 THR QG2 5.00 # 53 THR HA 54 VAL H 2.90 # 53 THR HA 54 VAL HB 5.00 # 53 THR HA 54 VAL QQG 5.00 # # 53 THR HB 53 THR QG2 5.00 # 53 THR HB 54 VAL H 5.00 # 53 THR QG2 54 VAL H 5.00 # #V54 54 VAL H 54 VAL HA 5.00 # 54 VAL H 54 VAL HB 5.00 # 54 VAL H 54 VAL QG1 5.00 # 54 VAL H 54 VAL QG2 5.00 # 54 VAL H 55 LYS QG 5.00 # # 54 VAL HA 54 VAL HB 5.00 # 54 VAL HA 54 VAL QG1 5.00 # 54 VAL HA 54 VAL QG2 5.00 # 54 VAL HA 55 LYS H 2.90 # 54 VAL HA 55 LYS QG 5.00 # # 54 VAL HB 54 VAL QG1 5.00 # # 54 VAL HB 54 VAL QG2 5.00 # 54 VAL HB 55 LYS H 5.00 # # 54 VAL QQG 54 VAL QQG 5.00 # 54 VAL QG1 55 LYS H 5.00 # 54 VAL QQG 55 LYS H 5.00 # 54 VAL QQG 55 LYS QG 5.00 # 54 VAL QQG 58 ASP H 5.00 # 54 VAL QQG 58 ASP HB2 5.00 # 54 VAL QQG 58 ASP HB3 5.00 # #K55 55 LYS H 55 LYS HA 5.00 # 55 LYS H 55 LYS HB2 5.00 # 55 LYS H 55 LYS HB3 5.00 # 55 LYS H 55 LYS HG2 5.00 # 55 LYS H 55 LYS HG3 5.00 # 55 LYS H 56 ASP H 5.00 # 55 LYS H 58 ASP H 5.00 # 55 LYS H 58 ASP HB2 5.00 # 55 LYS H 58 ASP HB3 5.00 # # 55 LYS HA 55 LYS HB2 3.50 # # 55 LYS HA 55 LYS HB3 3.50 # 55 LYS HA 55 LYS HG2 5.00 # 55 LYS HA 55 LYS HG3 5.00 # 55 LYS HA 56 ASP H 5.00 # 55 LYS HA 56 ASP HB2 5.00 # 55 LYS HA 56 ASP HB3 5.00 # # 55 LYS HB2 55 LYS HG2 5.00 # # 55 LYS HB2 55 LYS HG3 5.00 # # 55 LYS HB3 55 LYS HG2 5.00 # # 55 LYS HB3 55 LYS HG3 5.00 # 55 LYS HB2 56 ASP H 5.00 # 55 LYS HB3 56 ASP H 5.00 # 55 LYS HB2 56 ASP QB 5.00 # 55 LYS HB3 56 ASP QB 5.00 # 55 LYS HB3 56 ASP QB 5.00 # # 55 LYS QG 55 LYS QD 5.00 # 55 LYS HG2 55 LYS QE 5.00 # 55 LYS HG3 55 LYS QE 5.00 # 55 LYS HG2 56 ASP H 5.00 # 55 LYS HG3 56 ASP H 5.00 # # 55 LYS QD 55 LYS QE 5.00 # #D56 56 ASP H 56 ASP HA 3.50 # 56 ASP H 56 ASP HB2 3.50 # 56 ASP H 56 ASP HB3 3.50 # 56 ASP H 57 GLY H 5.00 # # 56 ASP HA 56 ASP HB2 5.00 # # 56 ASP HA 56 ASP HB3 5.00 # 56 ASP HA 57 GLY H 3.50 # 56 ASP HA 57 GLY QA 5.00 # 56 ASP HA 58 ASP H 5.00 # 56 ASP HB2 57 GLY H 5.00 # 56 ASP HB3 57 GLY H 5.00 # #G57 57 GLY H 57 GLY HA2 3.50 # 57 GLY H 57 GLY HA3 3.50 # 57 GLY H 58 ASP H 5.00 # 57 GLY H 58 ASP HB2 5.00 # 57 GLY H 58 ASP HB3 5.00 # 57 GLY HA2 58 ASP H 5.00 # 57 GLY HA3 58 ASP H 5.00 # #D58 58 ASP H 58 ASP HA 5.00 # 58 ASP H 58 ASP HB2 5.00 # 58 ASP H 58 ASP HB3 5.00 # 58 ASP H 59 ALA H 5.00 # # 58 ASP HA 58 ASP HB2 5.00 # # 58 ASP HA 58 ASP HB3 5.00 # 58 ASP HA 59 ALA H 2.90 # 58 ASP HA 59 ALA QB 5.00 # 58 ASP HB2 59 ALA H 5.00 # 58 ASP HB3 59 ALA H 5.00 # #A59 59 ALA H 59 ALA HA 5.00 # 59 ALA H 59 ALA QB 5.00 # # 59 ALA H 60 VAL H 5.00 # # 59 ALA HA 59 ALA QB 5.00 # 59 ALA HA 60 VAL H 5.00 # 59 ALA HA 60 VAL QG1 5.00 # 59 ALA QB 60 VAL H 5.00 # #V60 60 VAL H 60 VAL HA 5.00 # 60 VAL H 60 VAL HB 5.00 # 60 VAL H 60 VAL QG1 5.00 # 60 VAL H 60 VAL QG2 5.00 # # 60 VAL HA 60 VAL HB 5.00 # 60 VAL HA 60 VAL QG1 5.00 # 60 VAL HA 60 VAL QG2 5.00 # 60 VAL HA 61 GLU H 5.00 # 60 VAL HA 61 GLU HA 5.00 # # 60 VAL HB 60 VAL QG1 5.00 # # 60 VAL HB 60 VAL QG2 5.00 # 60 VAL HB 61 GLU H 5.00 # # 60 VAL QG1 60 VAL QG2 5.00 # 60 VAL QG1 61 GLU H 5.00 # 60 VAL QG2 61 GLU H 5.00 # 60 VAL QG2 62 PHE HA 5.00 # 60 VAL QG2 62 PHE HB2 5.00 # 60 VAL QG2 62 PHE HB3 5.00 # 60 VAL QG1 62 PHE QD 5.00 # 60 VAL QG2 62 PHE QD 5.00 # 60 VAL QG2 62 PHE QE 5.00 # #E61 61 GLU H 61 GLU HA 5.00 # 61 GLU H 61 GLU HB2 5.00 # 61 GLU H 61 GLU HB3 5.00 # # 61 GLU HA 61 GLU HB2 5.00 # # 61 GLU HA 61 GLU HB3 5.00 # 61 GLU HA 61 GLU HG2 5.00 # 61 GLU HA 61 GLU HG3 5.00 # 61 GLU HA 62 PHE H 2.90 # # 61 GLU HB2 61 GLU HG2 5.00 # # 61 GLU HB2 61 GLU HG3 5.00 # # 61 GLU HB3 61 GLU HG2 5.00 # # 61 GLU HB3 61 GLU HG3 5.00 # 61 GLU HB2 62 PHE H 5.00 # 61 GLU HB3 62 PHE H 5.00 # 61 GLU QB 63 LEU QD1 5.00 # 61 GLU QB 63 LEU QD2 5.00 # 61 GLU HG2 62 PHE H 5.00 # 61 GLU HG3 62 PHE H 5.00 # 61 GLU HG2 63 LEU QQD 5.00 # 61 GLU HG3 63 LEU QQD 5.00 # #F62 62 PHE H 62 PHE HA 5.00 # 62 PHE H 62 PHE HB2 5.00 # 62 PHE H 62 PHE HB3 5.00 # 62 PHE H 62 PHE QD 5.00 # # 62 PHE HA 62 PHE HB2 5.00 # # 62 PHE HA 62 PHE HB3 5.00 # 62 PHE HA 62 PHE QD 5.00 # 62 PHE HA 62 PHE QE 5.00 # 62 PHE HA 63 LEU H 3.50 # 62 PHE HA 63 LEU HG 5.00 # 62 PHE HB2 62 PHE QD 5.00 # 62 PHE HB3 62 PHE QD 5.00 # 62 PHE QB 62 PHE QE 5.00 # 62 PHE HB2 63 LEU H 5.00 # 62 PHE HB3 63 LEU H 5.00 # # 62 PHE QD 62 PHE HZ 5.00 # 62 PHE QD 63 LEU H 5.00 # 62 PHE QD 63 LEU HA 5.00 # # 62 PHE QE 62 PHE HZ 5.00 # #L63 63 LEU H 63 LEU HA 5.00 # 63 LEU H 63 LEU HB2 5.00 # 63 LEU H 63 LEU HB3 5.00 # 63 LEU H 63 LEU HG 5.00 # 63 LEU H 63 LEU QQD 5.00 # 63 LEU H 63 LEU QQD 5.00 # # 63 LEU HA 63 LEU HB2 5.00 # # 63 LEU HA 63 LEU HB3 5.00 # 63 LEU HA 63 LEU HG 5.00 # 63 LEU HA 63 LEU QD1 5.00 # 63 LEU HA 63 LEU QD2 5.00 # 63 LEU HA 64 TYR H 3.50 # 63 LEU HA 64 TYR QD 5.00 # # 63 LEU HB2 63 LEU HG 5.00 # # 63 LEU HB3 63 LEU HG 5.00 # 63 LEU HB2 63 LEU QD1 5.00 # 63 LEU HB2 63 LEU QD2 5.00 # 63 LEU HB3 63 LEU QD1 5.00 # 63 LEU HB3 63 LEU QD2 5.00 # 63 LEU HB2 64 TYR H 5.00 # 63 LEU HB3 64 TYR H 5.00 # 63 LEU QB 64 TYR QD 5.00 # 63 LEU QB 65 PHE QD 5.00 # # 63 LEU HG 63 LEU QD1 5.00 # # 63 LEU HG 63 LEU QD2 5.00 # 63 LEU HG 64 TYR H 5.00 # 63 LEU HG 65 PHE H 5.00 # # 63 LEU QQD 63 LEU QQD 5.00 # 63 LEU QQD 64 TYR H 5.00 # 63 LEU QQD 64 TYR QD 5.00 # 63 LEU QQD 64 TYR QD 5.00 # 63 LEU QQD 64 TYR QE 5.00 # 63 LEU QQD 65 PHE H 5.00 # #Y64 64 TYR H 64 TYR HA 5.00 # 64 TYR H 64 TYR HB2 5.00 # 64 TYR H 64 TYR HB3 5.00 # 64 TYR H 64 TYR QD 5.00 # 64 TYR H 64 TYR QE 5.00 # 64 TYR H 65 PHE H 2.90 # # 64 TYR HA 64 TYR HB2 5.00 # # 64 TYR HA 64 TYR HB3 5.00 # 64 TYR HA 64 TYR QD 5.00 # 64 TYR HA 65 PHE H 5.00 # 64 TYR HB2 64 TYR QD 5.00 # 64 TYR HB3 64 TYR QD 5.00 # 64 TYR QB 64 TYR QE 5.00 # 64 TYR HB2 65 PHE H 5.00 # 64 TYR HB3 65 PHE H 5.00 # # 64 TYR QD 64 TYR QE 5.00 # 64 TYR QD 65 PHE H 5.00 # #F65 65 PHE H 65 PHE HA 5.00 # 65 PHE H 65 PHE HB2 5.00 # 65 PHE H 65 PHE HB3 5.00 # 65 PHE H 65 PHE QD 5.00 # # 65 PHE HA 65 PHE HB2 5.00 # # 65 PHE HA 65 PHE HB3 5.00 # 65 PHE HA 65 PHE QD 5.00 # 65 PHE HA 66 MET H 3.50 # 65 PHE HA 66 MET HA 5.00 # 65 PHE HB2 65 PHE QD 5.00 # 65 PHE HB3 65 PHE QD 5.00 # 65 PHE HB2 66 MET H 5.00 # 65 PHE HB3 66 MET H 5.00 # # 65 PHE QD 65 PHE HZ 5.00 # 65 PHE QD 66 MET H 5.00 # #M66 66 MET H 66 MET HA 5.00 # 66 MET H 66 MET HB2 5.00 # 66 MET H 66 MET HB3 5.00 # 66 MET H 66 MET HG2 5.00 # 66 MET H 66 MET HG3 5.00 # 66 MET H 67 GLY H 5.00 # # 66 MET HA 66 MET HB2 5.00 # # 66 MET HA 66 MET HB3 5.00 # 66 MET HA 66 MET HG2 5.00 # 66 MET HA 66 MET HG3 5.00 # 66 MET HA 67 GLY H 5.00 # 66 MET HA 67 GLY QA 5.00 # # 66 MET HB2 66 MET HG2 5.00 # # 66 MET HB2 66 MET HG3 5.00 # # 66 MET HB3 66 MET HG2 5.00 # # 66 MET HB3 66 MET HG3 5.00 # 66 MET HB2 67 GLY H 5.00 # 66 MET HB3 67 GLY H 5.00 # #G67 67 GLY H 67 GLY QA 3.50 # 67 GLY H 68 GLY QA 3.50 # 67 GLY QA 68 GLY H 2.90 # #G68 68 GLY H 68 GLY QA 3.50 # 68 GLY QA 69 GLY H 3.50 # 68 GLY QA 70 LYS H 5.00 # #G69 69 GLY H 69 GLY QA 2.90 # 69 GLY QA 70 LYS H 3.50 # #K70 70 LYS H 70 LYS HA 5.00 # 70 LYS H 70 LYS HB2 5.00 # 70 LYS H 70 LYS HB3 5.00 # 70 LYS H 70 LYS QG 5.00 # # 70 LYS HA 70 LYS HB2 3.50 # # 70 LYS HA 70 LYS HB3 3.50 # 70 LYS HA 70 LYS QG 5.00 # 70 LYS HA 70 LYS QD 5.00 # 70 LYS HA 71 LEU H 2.90 # 70 LYS HA 71 LEU QQD 5.00 # # 70 LYS HB2 70 LYS QG 5.00 # # 70 LYS HB3 70 LYS QG 5.00 # 70 LYS HB2 71 LEU H 5.00 # 70 LYS HB3 71 LEU H 5.00 # # 70 LYS QG 70 LYS QD 5.00 # 70 LYS QG 70 LYS QE 5.00 # # 70 LYS QD 70 LYS QE 5.00 # #L71 71 LEU H 71 LEU HA 5.00 # 71 LEU H 71 LEU HB2 5.00 # 71 LEU H 71 LEU HB3 5.00 # 71 LEU H 71 LEU HG 5.00 # # 71 LEU HA 71 LEU HB2 5.00 # # 71 LEU HA 71 LEU HB3 5.00 # 71 LEU HA 71 LEU HG 5.00 # 71 LEU HA 71 LEU QQD 5.00 # 71 LEU HA 72 GLU H 2.90 # # 71 LEU QB 71 LEU HG 5.00 # 71 LEU QB 71 LEU QD1 5.00 # 71 LEU QB 71 LEU QD2 5.00 # 71 LEU QB 71 LEU QD1 5.00 # 71 LEU QB 72 GLU H 5.00 # 71 LEU QB 72 GLU H 5.00 # # 71 LEU HG 71 LEU QD1 5.00 # # 71 LEU HG 71 LEU QD2 5.00 # #E72 72 GLU H 72 GLU HA 5.00 # 72 GLU H 72 GLU HB2 5.00 # 72 GLU H 72 GLU HB3 5.00 # # 72 GLU HA 72 GLU HB2 5.00 # # 72 GLU HA 72 GLU HB3 5.00 # 72 GLU HA 72 GLU HG2 5.00 # 72 GLU HA 72 GLU HG3 5.00 # 72 GLU HA 73 HIS H 5.00 # #H73 73 HIS H 73 HIS HA 5.00 # 73 HIS H 73 HIS HB2 5.00 # 73 HIS H 73 HIS HB3 5.00 # 73 HIS H 74 HIS H 5.00 # # 73 HIS HA 73 HIS HB2 3.50 # # 73 HIS HA 73 HIS HB3 3.50 # 73 HIS HA 74 HIS H 5.00 # #-------------------------------------------------------------------------------------------------------------- #hbond.upl # created by AutoStructure/RPF Version 2.2.1 Copyright(C) 2007 1 MET O 12 VAL N 3.30 # hbond 1 MET O 12 VAL H 2.30 # hbond 3 LEU O 10 SER N 3.30 # hbond 3 LEU O 10 SER H 2.30 # hbond 4 THR O 60 VAL N 3.30 # hbond 4 THR O 60 VAL H 2.30 # hbond 5 VAL O 8 LYS N 3.30 # hbond 5 VAL O 8 LYS H 2.30 # hbond 8 LYS O 5 VAL N 3.30 # hbond 8 LYS O 5 VAL H 2.30 # hbond 10 SER O 3 LEU N 3.30 # hbond 10 SER O 3 LEU H 2.30 # hbond 18 LEU O 54 VAL N 3.30 # hbond 18 LEU O 54 VAL H 2.30 # hbond 19 ASN O 23 LEU N 3.30 # hbond 19 ASN O 23 LEU H 2.30 # hbond 20 VAL O 24 LEU N 3.30 # hbond 20 VAL O 24 LEU H 2.30 # hbond 21 THR O 25 SER N 3.30 # hbond 21 THR O 25 SER H 2.30 # hbond 22 GLU O 26 ALA N 3.30 # hbond 22 GLU O 26 ALA H 2.30 # hbond 49 PHE O 21 THR N 3.30 # hbond 49 PHE O 21 THR H 2.30 # hbond 52 THR O 20 VAL N 3.30 # hbond 52 THR O 20 VAL H 2.30 # hbond 54 VAL O 18 LEU N 3.30 # hbond 54 VAL O 18 LEU H 2.30 # hbond 58 ASP O 4 THR N 3.30 # hbond 58 ASP O 4 THR H 2.30 # hbond 59 ALA O 40 ASN N 3.30 # hbond 59 ALA O 40 ASN H 2.30 # hbond #----------------------------------------------------------------------------------------------------------- #hbond.lol # created by AutoStructure/RPF Version 2.2.1 Copyright(C) 2007 1 MET O 12 VAL N 2.40 # hbond 1 MET O 12 VAL H 1.50 # hbond 3 LEU O 10 SER N 2.40 # hbond 3 LEU O 10 SER H 1.50 # hbond 4 THR O 60 VAL N 2.40 # hbond 4 THR O 60 VAL H 1.50 # hbond 5 VAL O 8 LYS N 2.40 # hbond 5 VAL O 8 LYS H 1.50 # hbond 8 LYS O 5 VAL N 2.40 # hbond 8 LYS O 5 VAL H 1.50 # hbond 10 SER O 3 LEU N 2.40 # hbond 10 SER O 3 LEU H 1.50 # hbond 18 LEU O 54 VAL N 2.40 # hbond 18 LEU O 54 VAL H 1.50 # hbond 19 ASN O 23 LEU N 2.40 # hbond 19 ASN O 23 LEU H 1.50 # hbond 20 VAL O 24 LEU N 2.40 # hbond 20 VAL O 24 LEU H 1.50 # hbond 21 THR O 25 SER N 2.40 # hbond 21 THR O 25 SER H 1.50 # hbond 22 GLU O 26 ALA N 2.40 # hbond 22 GLU O 26 ALA H 1.50 # hbond 49 PHE O 21 THR N 2.40 # hbond 49 PHE O 21 THR H 1.50 # hbond 52 THR O 20 VAL N 2.40 # hbond 52 THR O 20 VAL H 1.50 # hbond 54 VAL O 18 LEU N 2.40 # hbond 54 VAL O 18 LEU H 1.50 # hbond 58 ASP O 4 THR N 2.40 # hbond 58 ASP O 4 THR H 1.50 # hbond 59 ALA O 40 ASN N 2.40 # hbond 59 ALA O 40 ASN H 1.50 # hbond assign (resid 1 and name HA ) (resid 1 and name HG2 ) 5.00 3.20 0.50 assign (resid 1 and name HA ) (resid 1 and name HG1 ) 5.00 3.20 0.50 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.90 1.10 0.29 assign (resid 1 and name HA ) (resid 2 and name HB* ) 5.00 3.20 0.50 assign (resid 1 and name HA ) (resid 56 and name HB2 ) 5.00 3.20 0.50 assign (resid 1 and name HA ) (resid 56 and name HB1 ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 2 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 2 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 3 and name HD2* ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 3 and name HD2* ) 5.00 3.20 0.50 assign (resid 1 and name HB* ) (resid 55 and name HA ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 56 and name HA ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 56 and name HA ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 56 and name HB2 ) 5.00 3.20 0.50 assign (resid 1 and name HB2 ) (resid 56 and name HB1 ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 56 and name HB2 ) 5.00 3.20 0.50 assign (resid 1 and name HB1 ) (resid 56 and name HB1 ) 5.00 3.20 0.50 assign (resid 1 and name HB* ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HG2 ) (resid 2 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HG1 ) (resid 2 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HG2 ) (resid 3 and name HG ) 5.00 3.20 0.50 assign (resid 1 and name HG1 ) (resid 3 and name HG ) 5.00 3.20 0.50 assign (resid 1 and name HG* ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 1 and name HG* ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 1 and name HG* ) (resid 3 and name HD2* ) 5.00 3.20 0.50 assign (resid 1 and name HG2 ) (resid 12 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HG1 ) (resid 12 and name HN ) 5.00 3.20 0.50 assign (resid 1 and name HG* ) (resid 12 and name HB ) 5.00 3.20 0.50 assign (resid 1 and name HG2 ) (resid 12 and name HG1* ) 5.00 3.20 0.50 assign (resid 1 and name HG2 ) (resid 12 and name HG2* ) 5.00 3.20 0.50 assign (resid 1 and name HG1 ) (resid 12 and name HG1* ) 5.00 3.20 0.50 assign (resid 1 and name HG1 ) (resid 12 and name HG2* ) 5.00 3.20 0.50 assign (resid 1 and name HG* ) (resid 15 and name HB* ) 5.00 3.20 0.50 assign (resid 1 and name HG2 ) (resid 55 and name HA ) 5.00 3.20 0.50 assign (resid 1 and name HG1 ) (resid 55 and name HA ) 5.00 3.20 0.50 assign (resid 1 and name HG* ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 2 and name HA ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 2 and name HB* ) 3.50 1.70 0.35 assign (resid 2 and name HN ) (resid 2 and name HD21 ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 2 and name HD22 ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 3 and name HN ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 3 and name HD* ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 56 and name HA ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 56 and name HB2 ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 56 and name HB1 ) 5.00 3.20 0.50 assign (resid 2 and name HN ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 2 and name HA ) (resid 2 and name HD2* ) 5.00 3.20 0.50 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.90 1.10 0.29 assign (resid 2 and name HA ) (resid 3 and name HD* ) 5.00 3.20 0.50 assign (resid 2 and name HA ) (resid 11 and name HA ) 3.50 1.70 0.35 assign (resid 2 and name HA ) (resid 11 and name HG2* ) 5.00 3.20 0.50 assign (resid 2 and name HA ) (resid 12 and name HN ) 5.00 3.20 0.50 assign (resid 2 and name HB* ) (resid 2 and name HD21 ) 5.00 3.20 0.50 assign (resid 2 and name HB* ) (resid 2 and name HD22 ) 5.00 3.20 0.50 assign (resid 2 and name HB* ) (resid 3 and name HN ) 3.50 1.70 0.35 assign (resid 2 and name HB* ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 2 and name HD21 ) (resid 11 and name HG2* ) 5.00 3.20 0.50 assign (resid 2 and name HD22 ) (resid 11 and name HG2* ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 3 and name HA ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 3 and name HB2 ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 3 and name HB1 ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 3 and name HG ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 3 and name HD* ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 10 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 11 and name HA ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 11 and name HG2* ) 5.00 3.20 0.50 assign (resid 3 and name HN ) (resid 12 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HA ) (resid 3 and name HG ) 5.00 3.20 0.50 assign (resid 3 and name HA ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 3 and name HA ) (resid 3 and name HD2* ) 5.00 3.20 0.50 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.50 1.70 0.35 assign (resid 3 and name HA ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HA ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HB2 ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 3 and name HB2 ) (resid 3 and name HD2* ) 5.00 3.20 0.50 assign (resid 3 and name HB1 ) (resid 3 and name HD1* ) 5.00 3.20 0.50 assign (resid 3 and name HB1 ) (resid 3 and name HD2* ) 5.00 3.20 0.50 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HB* ) (resid 5 and name HG* ) 5.00 3.20 0.50 assign (resid 3 and name HB2 ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 3 and name HB1 ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 3 and name HB2 ) (resid 12 and name HG* ) 5.00 3.20 0.50 assign (resid 3 and name HB1 ) (resid 12 and name HG* ) 5.00 3.20 0.50 assign (resid 3 and name HB* ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HB2 ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HB1 ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HB* ) (resid 60 and name HN ) 3.50 1.70 0.35 assign (resid 3 and name HB* ) (resid 60 and name HG1* ) 5.00 3.20 0.50 assign (resid 3 and name HG ) (resid 4 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HG ) (resid 12 and name HG1* ) 5.00 3.20 0.50 assign (resid 3 and name HG ) (resid 12 and name HG2* ) 5.00 3.20 0.50 assign (resid 3 and name HG ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD1* ) (resid 4 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 4 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 11 and name HA ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 54 and name HG* ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD1* ) (resid 56 and name HA ) 5.00 3.20 0.50 assign (resid 3 and name HD2* ) (resid 56 and name HA ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD1* ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD2* ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 58 and name HB2 ) 5.00 3.20 0.50 assign (resid 3 and name HD* ) (resid 58 and name HB1 ) 5.00 3.20 0.50 assign (resid 4 and name HN ) (resid 4 and name HA ) 5.00 3.20 0.50 assign (resid 4 and name HN ) (resid 4 and name HB ) 3.50 1.70 0.35 assign (resid 4 and name HN ) (resid 4 and name HG2* ) 5.00 3.20 0.50 assign (resid 4 and name HN ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HN ) (resid 59 and name HA ) 5.00 3.20 0.50 assign (resid 4 and name HN ) (resid 60 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HA ) (resid 4 and name HG2* ) 5.00 3.20 0.50 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.90 1.10 0.29 assign (resid 4 and name HA ) (resid 10 and name HN ) 3.50 1.70 0.35 assign (resid 4 and name HB ) (resid 5 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HB ) (resid 7 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HB ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HB ) (resid 59 and name HA ) 5.00 3.20 0.50 assign (resid 4 and name HB ) (resid 59 and name HB* ) 5.00 3.20 0.50 assign (resid 4 and name HB ) (resid 60 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 5 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 6 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 7 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 7 and name HA2 ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 7 and name HA1 ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 8 and name HA ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 9 and name HA ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 10 and name HN ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 59 and name HA ) 5.00 3.20 0.50 assign (resid 4 and name HG2* ) (resid 59 and name HB* ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 5 and name HA ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 5 and name HB ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 5 and name HG* ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 6 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 8 and name HN ) 3.50 1.70 0.35 assign (resid 5 and name HN ) (resid 8 and name HB2 ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 8 and name HB1 ) 5.00 3.20 0.50 assign (resid 5 and name HN ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 5 and name HA ) (resid 5 and name HG* ) 5.00 3.20 0.50 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.50 1.70 0.35 assign (resid 5 and name HA ) (resid 60 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HA ) (resid 60 and name HG1* ) 5.00 3.20 0.50 assign (resid 5 and name HA ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HB ) (resid 6 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HB ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 5 and name HG* ) (resid 6 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HG* ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HG* ) (resid 10 and name HN ) 5.00 3.20 0.50 assign (resid 5 and name HG* ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 6 and name HA ) 3.50 1.70 0.35 assign (resid 6 and name HN ) (resid 6 and name HB2 ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 6 and name HB1 ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 7 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 61 and name HA ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 61 and name HG* ) 5.00 3.20 0.50 assign (resid 6 and name HN ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HA ) (resid 6 and name HD2* ) 5.00 3.20 0.50 assign (resid 6 and name HA ) (resid 7 and name HN ) 3.50 1.70 0.35 assign (resid 6 and name HB2 ) (resid 6 and name HD21 ) 5.00 3.20 0.50 assign (resid 6 and name HB2 ) (resid 6 and name HD22 ) 5.00 3.20 0.50 assign (resid 6 and name HB1 ) (resid 6 and name HD21 ) 5.00 3.20 0.50 assign (resid 6 and name HB1 ) (resid 6 and name HD22 ) 5.00 3.20 0.50 assign (resid 6 and name HB* ) (resid 7 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HB* ) (resid 7 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HB* ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HB* ) (resid 8 and name HG2 ) 5.00 3.20 0.50 assign (resid 6 and name HB* ) (resid 8 and name HG1 ) 5.00 3.20 0.50 assign (resid 6 and name HB* ) (resid 8 and name HD* ) 5.00 3.20 0.50 assign (resid 6 and name HD21 ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HD22 ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 6 and name HD21 ) (resid 62 and name HB2 ) 5.00 3.20 0.50 assign (resid 6 and name HD21 ) (resid 62 and name HB1 ) 5.00 3.20 0.50 assign (resid 6 and name HD22 ) (resid 62 and name HB2 ) 5.00 3.20 0.50 assign (resid 6 and name HD22 ) (resid 62 and name HB1 ) 5.00 3.20 0.50 assign (resid 6 and name HD21 ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 6 and name HD22 ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 6 and name HD21 ) (resid 63 and name HD* ) 5.00 3.20 0.50 assign (resid 6 and name HD22 ) (resid 63 and name HD* ) 5.00 3.20 0.50 assign (resid 7 and name HN ) (resid 7 and name HA2 ) 3.50 1.70 0.35 assign (resid 7 and name HN ) (resid 7 and name HA1 ) 5.00 3.20 0.50 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.50 1.70 0.35 assign (resid 7 and name HN ) (resid 61 and name HG2 ) 5.00 3.20 0.50 assign (resid 7 and name HN ) (resid 61 and name HG1 ) 5.00 3.20 0.50 assign (resid 7 and name HA2 ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 7 and name HA1 ) (resid 8 and name HN ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 8 and name HA ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 8 and name HB2 ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 8 and name HB1 ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 8 and name HG2 ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 8 and name HG1 ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 9 and name HD2 ) 5.00 3.20 0.50 assign (resid 8 and name HN ) (resid 9 and name HD1 ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 8 and name HG2 ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 8 and name HG1 ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 8 and name HD* ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 9 and name HG2 ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 9 and name HG1 ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 9 and name HD2 ) 5.00 3.20 0.50 assign (resid 8 and name HA ) (resid 9 and name HD1 ) 5.00 3.20 0.50 assign (resid 8 and name HB2 ) (resid 9 and name HD2 ) 5.00 3.20 0.50 assign (resid 8 and name HB2 ) (resid 9 and name HD1 ) 5.00 3.20 0.50 assign (resid 8 and name HB1 ) (resid 9 and name HD2 ) 5.00 3.20 0.50 assign (resid 8 and name HB1 ) (resid 9 and name HD1 ) 5.00 3.20 0.50 assign (resid 8 and name HG* ) (resid 8 and name HE* ) 5.00 3.20 0.50 assign (resid 8 and name HG2 ) (resid 9 and name HD2 ) 5.00 3.20 0.50 assign (resid 8 and name HG2 ) (resid 9 and name HD1 ) 5.00 3.20 0.50 assign (resid 8 and name HG1 ) (resid 9 and name HD2 ) 5.00 3.20 0.50 assign (resid 8 and name HG1 ) (resid 9 and name HD1 ) 5.00 3.20 0.50 assign (resid 8 and name HD* ) (resid 9 and name HD* ) 5.00 3.20 0.50 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.90 1.10 0.29 assign (resid 9 and name HA ) (resid 10 and name HB* ) 5.00 3.20 0.50 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 5.00 3.20 0.50 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 5.00 3.20 0.50 assign (resid 10 and name HN ) (resid 10 and name HA ) 5.00 3.20 0.50 assign (resid 10 and name HN ) (resid 10 and name HB* ) 3.50 1.70 0.35 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.50 1.70 0.35 assign (resid 10 and name HA ) (resid 11 and name HB ) 5.00 3.20 0.50 assign (resid 10 and name HB* ) (resid 11 and name HN ) 3.50 1.70 0.35 assign (resid 11 and name HN ) (resid 11 and name HA ) 3.50 1.70 0.35 assign (resid 11 and name HN ) (resid 11 and name HB ) 3.50 1.70 0.35 assign (resid 11 and name HN ) (resid 11 and name HG2* ) 5.00 3.20 0.50 assign (resid 11 and name HN ) (resid 12 and name HG1* ) 5.00 3.20 0.50 assign (resid 11 and name HN ) (resid 12 and name HG2* ) 5.00 3.20 0.50 assign (resid 11 and name HA ) (resid 11 and name HG2* ) 5.00 3.20 0.50 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.90 1.10 0.29 assign (resid 11 and name HA ) (resid 12 and name HA ) 5.00 3.20 0.50 assign (resid 11 and name HA ) (resid 12 and name HG* ) 5.00 3.20 0.50 assign (resid 11 and name HB ) (resid 12 and name HN ) 5.00 3.20 0.50 assign (resid 11 and name HG2* ) (resid 12 and name HN ) 5.00 3.20 0.50 assign (resid 11 and name HG2* ) (resid 12 and name HA ) 5.00 3.20 0.50 assign (resid 11 and name HG2* ) (resid 13 and name HN ) 5.00 3.20 0.50 assign (resid 11 and name HG2* ) (resid 13 and name HA ) 5.00 3.20 0.50 assign (resid 12 and name HN ) (resid 12 and name HA ) 5.00 3.20 0.50 assign (resid 12 and name HN ) (resid 12 and name HB ) 5.00 3.20 0.50 assign (resid 12 and name HN ) (resid 12 and name HG1* ) 5.00 3.20 0.50 assign (resid 12 and name HN ) (resid 12 and name HG* ) 5.00 3.20 0.50 assign (resid 12 and name HN ) (resid 13 and name HN ) 5.00 3.20 0.50 assign (resid 12 and name HA ) (resid 12 and name HG1* ) 5.00 3.20 0.50 assign (resid 12 and name HA ) (resid 12 and name HG2* ) 5.00 3.20 0.50 assign (resid 12 and name HA ) (resid 13 and name HN ) 2.90 1.10 0.29 assign (resid 12 and name HA ) (resid 13 and name HB2 ) 5.00 3.20 0.50 assign (resid 12 and name HA ) (resid 13 and name HB1 ) 5.00 3.20 0.50 assign (resid 12 and name HB ) (resid 13 and name HN ) 5.00 3.20 0.50 assign (resid 12 and name HG1* ) (resid 13 and name HN ) 5.00 3.20 0.50 assign (resid 12 and name HG* ) (resid 13 and name HN ) 5.00 3.20 0.50 assign (resid 12 and name HG1* ) (resid 15 and name HB* ) 5.00 3.20 0.50 assign (resid 12 and name HG2* ) (resid 15 and name HB* ) 5.00 3.20 0.50 assign (resid 13 and name HN ) (resid 13 and name HA ) 5.00 3.20 0.50 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 3.50 1.70 0.35 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.50 1.70 0.35 assign (resid 13 and name HN ) (resid 14 and name HN ) 5.00 3.20 0.50 assign (resid 13 and name HA ) (resid 14 and name HN ) 2.90 1.10 0.29 assign (resid 13 and name HA ) (resid 14 and name HA* ) 5.00 3.20 0.50 assign (resid 13 and name HA ) (resid 15 and name HN ) 5.00 3.20 0.50 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 5.00 3.20 0.50 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 5.00 3.20 0.50 assign (resid 14 and name HN ) (resid 14 and name HA2 ) 5.00 3.20 0.50 assign (resid 14 and name HN ) (resid 14 and name HA1 ) 5.00 3.20 0.50 assign (resid 14 and name HN ) (resid 15 and name HN ) 5.00 3.20 0.50 assign (resid 14 and name HA2 ) (resid 15 and name HN ) 5.00 3.20 0.50 assign (resid 14 and name HA1 ) (resid 15 and name HN ) 5.00 3.20 0.50 assign (resid 15 and name HN ) (resid 15 and name HA 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1.70 0.35 assign (resid 16 and name HA ) (resid 16 and name HG2 ) 5.00 3.20 0.50 assign (resid 16 and name HA ) (resid 16 and name HG1 ) 5.00 3.20 0.50 assign (resid 16 and name HA ) (resid 17 and name HN ) 5.00 3.20 0.50 assign (resid 16 and name HB2 ) (resid 17 and name HN ) 5.00 3.20 0.50 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 5.00 3.20 0.50 assign (resid 16 and name HG* ) (resid 17 and name HN ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 17 and name HA ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 17 and name HB* ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 18 and name HN ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 18 and name HB* ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 18 and name HG ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 18 and name HD1* ) 5.00 3.20 0.50 assign (resid 17 and name HN ) (resid 18 and name HD2* ) 5.00 3.20 0.50 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.50 1.70 0.35 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0.50 assign (resid 18 and name HB1 ) (resid 23 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HB* ) (resid 54 and name HB ) 5.00 3.20 0.50 assign (resid 18 and name HG ) (resid 19 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HD* ) (resid 19 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HD2* ) (resid 19 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HD1* ) (resid 22 and name HB* ) 5.00 3.20 0.50 assign (resid 18 and name HD1* ) (resid 22 and name HB* ) 5.00 3.20 0.50 assign (resid 18 and name HD2* ) (resid 22 and name HB* ) 5.00 3.20 0.50 assign (resid 18 and name HD* ) (resid 22 and name HG* ) 5.00 3.20 0.50 assign (resid 18 and name HD1* ) (resid 23 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HD2* ) (resid 23 and name HN ) 5.00 3.20 0.50 assign (resid 18 and name HD1* ) (resid 23 and name HA ) 5.00 3.20 0.50 assign (resid 18 and name HD2* ) (resid 23 and name HA ) 5.00 3.20 0.50 assign (resid 18 and name HD* ) (resid 23 and name HB2 ) 5.00 3.20 0.50 assign (resid 18 and name HD* ) (resid 23 and name HB1 ) 5.00 3.20 0.50 assign (resid 18 and name HD* ) (resid 23 and name HG ) 5.00 3.20 0.50 assign (resid 18 and name HD* ) (resid 26 and name HB* ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 19 and name HA ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 19 and name HB2 ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 19 and name HB1 ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 19 and name HD21 ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 19 and name HD22 ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 20 and name HN ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 22 and name HB2 ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 22 and name HB1 ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 22 and name HG* ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 23 and name HN ) 5.00 3.20 0.50 assign (resid 19 and name HN ) (resid 53 and name HA ) 5.00 3.20 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assign (resid 55 and name HN ) (resid 58 and name HB1 ) 5.00 3.20 0.50 assign (resid 55 and name HA ) (resid 55 and name HG2 ) 5.00 3.20 0.50 assign (resid 55 and name HA ) (resid 55 and name HG1 ) 5.00 3.20 0.50 assign (resid 55 and name HA ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 55 and name HA ) (resid 56 and name HB2 ) 5.00 3.20 0.50 assign (resid 55 and name HA ) (resid 56 and name HB1 ) 5.00 3.20 0.50 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 55 and name HB2 ) (resid 56 and name HB* ) 5.00 3.20 0.50 assign (resid 55 and name HB1 ) (resid 56 and name HB* ) 5.00 3.20 0.50 assign (resid 55 and name HB1 ) (resid 56 and name HB* ) 5.00 3.20 0.50 assign (resid 55 and name HG2 ) (resid 55 and name HE* ) 5.00 3.20 0.50 assign (resid 55 and name HG1 ) (resid 55 and name HE* ) 5.00 3.20 0.50 assign (resid 55 and name HG2 ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 55 and name HG1 ) (resid 56 and name HN ) 5.00 3.20 0.50 assign (resid 56 and name HN ) (resid 56 and name HA ) 3.50 1.70 0.35 assign (resid 56 and name HN ) (resid 56 and name HB2 ) 3.50 1.70 0.35 assign (resid 56 and name HN ) (resid 56 and name HB1 ) 3.50 1.70 0.35 assign (resid 56 and name HN ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.50 1.70 0.35 assign (resid 56 and name HA ) (resid 57 and name HA* ) 5.00 3.20 0.50 assign (resid 56 and name HA ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 5.00 3.20 0.50 assign (resid 57 and name HN ) (resid 57 and name HA2 ) 3.50 1.70 0.35 assign (resid 57 and name HN ) (resid 57 and name HA1 ) 3.50 1.70 0.35 assign (resid 57 and name HN ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 57 and name HN ) (resid 58 and name HB2 ) 5.00 3.20 0.50 assign (resid 57 and name HN ) (resid 58 and name HB1 ) 5.00 3.20 0.50 assign (resid 57 and name HA2 ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 57 and name HA1 ) (resid 58 and name HN ) 5.00 3.20 0.50 assign (resid 58 and name HN ) (resid 58 and name HA ) 5.00 3.20 0.50 assign (resid 58 and name HN ) (resid 58 and name HB2 ) 5.00 3.20 0.50 assign (resid 58 and name HN ) (resid 58 and name HB1 ) 5.00 3.20 0.50 assign (resid 58 and name HN ) (resid 59 and name HN ) 5.00 3.20 0.50 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.90 1.10 0.29 assign (resid 58 and name HA ) (resid 59 and name HB* ) 5.00 3.20 0.50 assign (resid 58 and name HB2 ) (resid 59 and name HN ) 5.00 3.20 0.50 assign (resid 58 and name HB1 ) (resid 59 and name HN ) 5.00 3.20 0.50 assign (resid 59 and name HN ) (resid 59 and name HA ) 5.00 3.20 0.50 assign (resid 59 and name HN ) (resid 59 and name HB* ) 5.00 3.20 0.50 assign (resid 59 and name HA ) (resid 60 and name HN ) 5.00 3.20 0.50 assign (resid 59 and name HA ) (resid 60 and name HG1* ) 5.00 3.20 0.50 assign (resid 59 and name HB* ) (resid 60 and name HN ) 5.00 3.20 0.50 assign (resid 60 and name HN ) (resid 60 and name HA ) 5.00 3.20 0.50 assign (resid 60 and name HN ) (resid 60 and name HB ) 5.00 3.20 0.50 assign (resid 60 and name HN ) (resid 60 and name HG1* ) 5.00 3.20 0.50 assign (resid 60 and name HN ) (resid 60 and name HG2* ) 5.00 3.20 0.50 assign (resid 60 and name HA ) (resid 60 and name HG1* ) 5.00 3.20 0.50 assign (resid 60 and name HA ) (resid 60 and name HG2* ) 5.00 3.20 0.50 assign (resid 60 and name HA ) (resid 61 and name HN ) 5.00 3.20 0.50 assign (resid 60 and name HA ) (resid 61 and name HA ) 5.00 3.20 0.50 assign (resid 60 and name HB ) (resid 61 and name HN ) 5.00 3.20 0.50 assign (resid 60 and name HG1* ) (resid 61 and name HN ) 5.00 3.20 0.50 assign (resid 60 and name HG2* ) (resid 61 and name HN ) 5.00 3.20 0.50 assign (resid 60 and name HG2* ) (resid 62 and name HA ) 5.00 3.20 0.50 assign (resid 60 and name HG2* ) (resid 62 and name HB2 ) 5.00 3.20 0.50 assign (resid 60 and name HG2* ) (resid 62 and name HB1 ) 5.00 3.20 0.50 assign (resid 60 and name HG1* ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 60 and name HG2* ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 60 and name HG2* ) (resid 62 and name HE* ) 5.00 3.20 0.50 assign (resid 61 and name HN ) (resid 61 and name HA ) 5.00 3.20 0.50 assign (resid 61 and name HN ) (resid 61 and name HB2 ) 5.00 3.20 0.50 assign (resid 61 and name HN ) (resid 61 and name HB1 ) 5.00 3.20 0.50 assign (resid 61 and name HA ) (resid 61 and name HG2 ) 5.00 3.20 0.50 assign (resid 61 and name HA ) (resid 61 and name HG1 ) 5.00 3.20 0.50 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.90 1.10 0.29 assign (resid 61 and name HB2 ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 61 and name HB* ) (resid 63 and name HD1* ) 5.00 3.20 0.50 assign (resid 61 and name HB* ) (resid 63 and name HD2* ) 5.00 3.20 0.50 assign (resid 61 and name HG2 ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 61 and name HG1 ) (resid 62 and name HN ) 5.00 3.20 0.50 assign (resid 61 and name HG2 ) (resid 63 and name HD* ) 5.00 3.20 0.50 assign (resid 61 and name HG1 ) (resid 63 and name HD* ) 5.00 3.20 0.50 assign (resid 62 and name HN ) (resid 62 and name HA ) 5.00 3.20 0.50 assign (resid 62 and name HN ) (resid 62 and name HB2 ) 5.00 3.20 0.50 assign (resid 62 and name HN ) (resid 62 and name HB1 ) 5.00 3.20 0.50 assign (resid 62 and name HN ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 62 and name HA ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 62 and name HA ) (resid 62 and name HE* ) 5.00 3.20 0.50 assign (resid 62 and name HA ) (resid 63 and name HN ) 3.50 1.70 0.35 assign (resid 62 and name HA ) (resid 63 and name HG ) 5.00 3.20 0.50 assign (resid 62 and name HB2 ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 62 and name HB1 ) (resid 62 and name HD* ) 5.00 3.20 0.50 assign (resid 62 and name HB* ) (resid 62 and name HE* ) 5.00 3.20 0.50 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 5.00 3.20 0.50 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 5.00 3.20 0.50 assign (resid 62 and name HD* ) (resid 63 and name HN ) 5.00 3.20 0.50 assign (resid 62 and name HD* ) (resid 63 and name HA ) 5.00 3.20 0.50 assign (resid 63 and name HN ) (resid 63 and name HA ) 5.00 3.20 0.50 assign (resid 63 and name HN ) (resid 63 and name HB2 ) 5.00 3.20 0.50 assign (resid 63 and name HN ) (resid 63 and name HB1 ) 5.00 3.20 0.50 assign (resid 63 and name HN ) (resid 63 and name HG ) 5.00 3.20 0.50 assign (resid 63 and name HN ) (resid 63 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HN ) (resid 63 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HA ) (resid 63 and name HG ) 5.00 3.20 0.50 assign (resid 63 and name HA ) (resid 63 and name HD1* ) 5.00 3.20 0.50 assign (resid 63 and name HA ) (resid 63 and name HD2* ) 5.00 3.20 0.50 assign (resid 63 and name HA ) (resid 64 and name HN ) 3.50 1.70 0.35 assign (resid 63 and name HA ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HB2 ) (resid 63 and name HD1* ) 5.00 3.20 0.50 assign (resid 63 and name HB2 ) (resid 63 and name HD2* ) 5.00 3.20 0.50 assign (resid 63 and name HB1 ) (resid 63 and name HD1* ) 5.00 3.20 0.50 assign (resid 63 and name HB1 ) (resid 63 and name HD2* ) 5.00 3.20 0.50 assign (resid 63 and name HB2 ) (resid 64 and name HN ) 5.00 3.20 0.50 assign (resid 63 and name HB1 ) (resid 64 and name HN ) 5.00 3.20 0.50 assign (resid 63 and name HB* ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HB* ) (resid 65 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HG ) (resid 64 and name HN ) 5.00 3.20 0.50 assign (resid 63 and name HG ) (resid 65 and name HN ) 5.00 3.20 0.50 assign (resid 63 and name HD* ) (resid 64 and name HN ) 5.00 3.20 0.50 assign (resid 63 and name HD* ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HD* ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 63 and name HD* ) (resid 64 and name HE* ) 5.00 3.20 0.50 assign (resid 63 and name HD* ) (resid 65 and name HN ) 5.00 3.20 0.50 assign (resid 64 and name HN ) (resid 64 and name HA ) 5.00 3.20 0.50 assign (resid 64 and name HN ) (resid 64 and name HB2 ) 5.00 3.20 0.50 assign (resid 64 and name HN ) (resid 64 and name HB1 ) 5.00 3.20 0.50 assign (resid 64 and name HN ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 64 and name HN ) (resid 64 and name HE* ) 5.00 3.20 0.50 assign (resid 64 and name HN ) (resid 65 and name HN ) 2.90 1.10 0.29 assign (resid 64 and name HA ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 64 and name HA ) (resid 65 and name HN ) 5.00 3.20 0.50 assign (resid 64 and name HB2 ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 64 and name HB1 ) (resid 64 and name HD* ) 5.00 3.20 0.50 assign (resid 64 and name HB* ) (resid 64 and name HE* ) 5.00 3.20 0.50 assign (resid 64 and name HB2 ) (resid 65 and name HN ) 5.00 3.20 0.50 assign (resid 64 and name HB1 ) (resid 65 and name HN ) 5.00 3.20 0.50 assign (resid 64 and name HD* ) (resid 65 and name HN ) 5.00 3.20 0.50 assign (resid 65 and name HN ) (resid 65 and name HA ) 5.00 3.20 0.50 assign (resid 65 and name HN ) (resid 65 and name HB2 ) 5.00 3.20 0.50 assign (resid 65 and name HN ) (resid 65 and name HB1 ) 5.00 3.20 0.50 assign (resid 65 and name HN ) (resid 65 and name HD* ) 5.00 3.20 0.50 assign (resid 65 and name HA ) (resid 65 and name HD* ) 5.00 3.20 0.50 assign (resid 65 and name HA ) (resid 66 and name HN ) 3.50 1.70 0.35 assign (resid 65 and name HA ) (resid 66 and name HA ) 5.00 3.20 0.50 assign (resid 65 and name HB2 ) (resid 65 and name HD* ) 5.00 3.20 0.50 assign (resid 65 and name HB1 ) (resid 65 and name HD* ) 5.00 3.20 0.50 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 5.00 3.20 0.50 assign (resid 65 and name HB1 ) (resid 66 and name HN ) 5.00 3.20 0.50 assign (resid 65 and name HD* ) (resid 66 and name HN ) 5.00 3.20 0.50 assign (resid 66 and name HN ) (resid 66 and name HA ) 5.00 3.20 0.50 assign (resid 66 and name HN ) (resid 66 and name HB2 ) 5.00 3.20 0.50 assign (resid 66 and name HN ) (resid 66 and name HB1 ) 5.00 3.20 0.50 assign (resid 66 and name HN ) (resid 66 and name HG2 ) 5.00 3.20 0.50 assign (resid 66 and name HN ) (resid 66 and name HG1 ) 5.00 3.20 0.50 assign (resid 66 and name HN ) (resid 67 and name HN ) 5.00 3.20 0.50 assign (resid 66 and name HA ) (resid 66 and name HG2 ) 5.00 3.20 0.50 assign (resid 66 and name HA ) (resid 66 and name HG1 ) 5.00 3.20 0.50 assign (resid 66 and name HA ) (resid 67 and name HN ) 5.00 3.20 0.50 assign (resid 66 and name HA ) (resid 67 and name HA* ) 5.00 3.20 0.50 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 5.00 3.20 0.50 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 5.00 3.20 0.50 assign (resid 67 and name HN ) (resid 67 and name HA* ) 3.50 1.70 0.35 assign (resid 67 and name HN ) (resid 68 and name HA* ) 3.50 1.70 0.35 assign (resid 67 and name HA* ) (resid 68 and name HN ) 2.90 1.10 0.29 assign (resid 68 and name HN ) (resid 68 and name HA* ) 3.50 1.70 0.35 assign (resid 68 and name HA* ) (resid 69 and name HN ) 3.50 1.70 0.35 assign (resid 68 and name HA* ) (resid 70 and name HN ) 5.00 3.20 0.50 assign (resid 69 and name HN ) (resid 69 and name HA* ) 2.90 1.10 0.29 assign (resid 69 and name HA* ) (resid 70 and name HN ) 3.50 1.70 0.35 assign (resid 70 and name HN ) (resid 70 and name HA ) 5.00 3.20 0.50 assign (resid 70 and name HN ) (resid 70 and name HB2 ) 5.00 3.20 0.50 assign (resid 70 and name HN ) (resid 70 and name HB1 ) 5.00 3.20 0.50 assign (resid 70 and name HN ) (resid 70 and name HG* ) 5.00 3.20 0.50 assign (resid 70 and name HA ) (resid 70 and name HG* ) 5.00 3.20 0.50 assign (resid 70 and name HA ) (resid 70 and name HD* ) 5.00 3.20 0.50 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.90 1.10 0.29 assign (resid 70 and name HA ) (resid 71 and name HD* ) 5.00 3.20 0.50 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 5.00 3.20 0.50 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 5.00 3.20 0.50 assign (resid 70 and name HG* ) (resid 70 and name HE* ) 5.00 3.20 0.50 assign (resid 71 and name HN ) (resid 71 and name HA ) 5.00 3.20 0.50 assign (resid 71 and name HN ) (resid 71 and name HB2 ) 5.00 3.20 0.50 assign (resid 71 and name HN ) (resid 71 and name HB1 ) 5.00 3.20 0.50 assign (resid 71 and name HN ) (resid 71 and name HG ) 5.00 3.20 0.50 assign (resid 71 and name HA ) (resid 71 and name HG ) 5.00 3.20 0.50 assign (resid 71 and name HA ) (resid 71 and name HD* ) 5.00 3.20 0.50 assign (resid 71 and name HA ) (resid 72 and name HN ) 2.90 1.10 0.29 assign (resid 71 and name HB* ) (resid 71 and name HD1* ) 5.00 3.20 0.50 assign (resid 71 and name HB* ) (resid 71 and name HD2* ) 5.00 3.20 0.50 assign (resid 71 and name HB* ) (resid 71 and name HD1* ) 5.00 3.20 0.50 assign (resid 71 and name HB* ) (resid 72 and name HN ) 5.00 3.20 0.50 assign (resid 71 and name HB* ) (resid 72 and name HN ) 5.00 3.20 0.50 assign (resid 72 and name HN ) (resid 72 and name HA ) 5.00 3.20 0.50 assign (resid 72 and name HN ) (resid 72 and name HB2 ) 5.00 3.20 0.50 assign (resid 72 and name HN ) (resid 72 and name HB1 ) 5.00 3.20 0.50 assign (resid 72 and name HA ) (resid 72 and name HG2 ) 5.00 3.20 0.50 assign (resid 72 and name HA ) (resid 72 and name HG1 ) 5.00 3.20 0.50 assign (resid 72 and name HA ) (resid 73 and name HN ) 5.00 3.20 0.50 assign (resid 73 and name HN ) (resid 73 and name HA ) 5.00 3.20 0.50 assign (resid 73 and name HN ) (resid 73 and name HB2 ) 5.00 3.20 0.50 assign (resid 73 and name HN ) (resid 73 and name HB1 ) 5.00 3.20 0.50 assign (resid 73 and name HN ) (resid 74 and name HN ) 5.00 3.20 0.50 assign (resid 73 and name HA ) (resid 74 and name HN ) 5.00 3.20 0.50 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -3.382 -12.194 -2.351 2 H2 MET 1 2H MET 1 -3.417 -10.587 -2.876 3 H3 MET 1 3H MET 1 -4.501 -11.110 -1.693 4 HA MET 1 HA MET 1 -2.725 -11.506 -0.147 5 HB2 MET 1 2HB MET 1 -0.428 -10.843 -0.671 6 HB3 MET 1 1HB MET 1 -0.989 -12.089 -1.773 7 HG2 MET 1 2HG MET 1 -1.384 -10.385 -3.488 8 HG3 MET 1 1HG MET 1 -0.796 -9.145 -2.381 9 HE1 MET 1 3HE MET 1 0.422 -9.399 -5.254 10 HE2 MET 1 1HE MET 1 2.156 -9.338 -4.931 11 HE3 MET 1 2HE MET 1 1.057 -8.273 -4.053 12 H ASN 2 H ASN 2 -2.367 -9.934 1.388 13 HA ASN 2 HA ASN 2 -3.770 -7.459 0.988 14 HB2 ASN 2 2HB ASN 2 -2.177 -8.364 3.399 15 HB3 ASN 2 1HB ASN 2 -3.354 -7.054 3.358 16 HD21 ASN 2 1HD2 ASN 2 -2.882 -10.467 3.484 17 HD22 ASN 2 2HD2 ASN 2 -4.535 -10.890 3.751 18 H LEU 3 H LEU 3 -3.003 -5.484 0.578 19 HA LEU 3 HA LEU 3 -0.162 -4.862 0.980 20 HB2 LEU 3 2HB LEU 3 -1.639 -4.545 -1.640 21 HB3 LEU 3 1HB LEU 3 -0.099 -3.782 -1.294 22 HG LEU 3 HG LEU 3 -0.575 -6.772 -1.388 23 HD11 LEU 3 1HD1 LEU 3 -0.770 -5.758 -3.598 24 HD12 LEU 3 2HD1 LEU 3 0.711 -6.706 -3.467 25 HD13 LEU 3 3HD1 LEU 3 0.783 -4.946 -3.375 26 HD21 LEU 3 3HD2 LEU 3 1.852 -6.953 -1.274 27 HD22 LEU 3 1HD2 LEU 3 1.225 -6.121 0.150 28 HD23 LEU 3 2HD2 LEU 3 1.994 -5.199 -1.143 29 H THR 4 H THR 4 -0.125 -3.045 2.184 30 HA THR 4 HA THR 4 -2.290 -1.156 2.209 31 HB THR 4 HB THR 4 0.460 -0.984 3.466 32 HG1 THR 4 HG1 THR 4 -1.378 -1.094 5.307 33 HG21 THR 4 3HG2 THR 4 -0.426 0.887 4.785 34 HG22 THR 4 1HG2 THR 4 -1.934 0.821 3.868 35 HG23 THR 4 2HG2 THR 4 -0.430 1.267 3.063 36 H VAL 5 H VAL 5 -2.566 -0.164 0.264 37 HA VAL 5 HA VAL 5 -0.281 1.054 -1.103 38 HB VAL 5 HB VAL 5 -3.189 0.979 -1.950 39 HG11 VAL 5 1HG1 VAL 5 -0.694 1.654 -3.520 40 HG12 VAL 5 2HG1 VAL 5 -1.945 2.789 -3.013 41 HG13 VAL 5 3HG1 VAL 5 -2.322 1.526 -4.185 42 HG21 VAL 5 3HG2 VAL 5 -2.269 -1.282 -1.769 43 HG22 VAL 5 1HG2 VAL 5 -0.904 -0.817 -2.784 44 HG23 VAL 5 2HG2 VAL 5 -2.534 -0.843 -3.457 45 H ASN 6 H ASN 6 0.323 2.995 -0.280 46 HA ASN 6 HA ASN 6 0.255 5.177 0.382 47 HB2 ASN 6 2HB ASN 6 -2.320 5.133 -1.209 48 HB3 ASN 6 1HB ASN 6 -1.554 6.600 -0.605 49 HD21 ASN 6 1HD2 ASN 6 -2.099 5.780 -3.340 50 HD22 ASN 6 2HD2 ASN 6 -0.575 5.802 -4.150 51 H GLY 7 H GLY 7 -0.769 3.270 2.251 52 HA2 GLY 7 2HA GLY 7 -1.595 3.558 4.426 53 HA3 GLY 7 1HA GLY 7 -2.367 5.052 3.925 54 H LYS 8 H LYS 8 -3.184 2.760 1.667 55 HA LYS 8 HA LYS 8 -5.813 2.346 2.877 56 HB2 LYS 8 2HB LYS 8 -4.784 1.647 0.118 57 HB3 LYS 8 1HB LYS 8 -6.450 1.481 0.654 58 HG2 LYS 8 2HG LYS 8 -6.653 3.879 0.910 59 HG3 LYS 8 1HG LYS 8 -4.948 4.093 0.510 60 HD2 LYS 8 2HD LYS 8 -6.368 4.598 -1.415 61 HD3 LYS 8 1HD LYS 8 -5.353 3.193 -1.734 62 HE2 LYS 8 2HE LYS 8 -7.593 2.790 -2.553 63 HE3 LYS 8 1HE LYS 8 -7.266 1.724 -1.189 64 HZ1 LYS 8 3HZ LYS 8 -8.504 3.250 0.236 65 HZ2 LYS 8 1HZ LYS 8 -9.466 2.685 -1.033 66 HZ3 LYS 8 2HZ LYS 8 -8.833 4.246 -1.089 67 HA PRO 9 HA PRO 9 -4.394 -1.808 4.073 68 HB2 PRO 9 2HB PRO 9 -6.525 -2.435 5.621 69 HB3 PRO 9 1HB PRO 9 -5.257 -1.332 6.171 70 HG2 PRO 9 2HG PRO 9 -7.953 -0.690 5.022 71 HG3 PRO 9 1HG PRO 9 -7.141 0.022 6.430 72 HD2 PRO 9 2HD PRO 9 -7.171 1.217 3.986 73 HD3 PRO 9 1HD PRO 9 -5.827 1.406 5.131 74 H SER 10 H SER 10 -4.934 -2.007 1.597 75 HA SER 10 HA SER 10 -7.478 -3.423 1.148 76 HB2 SER 10 2HB SER 10 -7.063 -1.473 -0.306 77 HB3 SER 10 1HB SER 10 -5.562 -2.209 -0.869 78 HG SER 10 HG SER 10 -7.013 -2.782 -2.384 79 H THR 11 H THR 11 -7.238 -5.053 -0.766 80 HA THR 11 HA THR 11 -4.759 -6.577 -0.711 81 HB THR 11 HB THR 11 -5.884 -7.640 1.132 82 HG1 THR 11 HG1 THR 11 -6.324 -9.783 0.028 83 HG21 THR 11 3HG2 THR 11 -8.179 -6.919 0.697 84 HG22 THR 11 1HG2 THR 11 -8.108 -8.668 0.912 85 HG23 THR 11 2HG2 THR 11 -8.261 -7.984 -0.707 86 H VAL 12 H VAL 12 -4.329 -7.462 -2.636 87 HA VAL 12 HA VAL 12 -6.323 -7.321 -4.749 88 HB VAL 12 HB VAL 12 -4.475 -8.185 -6.217 89 HG11 VAL 12 1HG1 VAL 12 -4.898 -5.787 -5.981 90 HG12 VAL 12 2HG1 VAL 12 -3.176 -6.105 -6.180 91 HG13 VAL 12 3HG1 VAL 12 -3.823 -5.724 -4.583 92 HG21 VAL 12 3HG2 VAL 12 -2.180 -8.191 -5.314 93 HG22 VAL 12 1HG2 VAL 12 -3.189 -9.421 -4.556 94 HG23 VAL 12 2HG2 VAL 12 -2.826 -7.926 -3.693 95 H ASP 13 H ASP 13 -7.676 -8.929 -5.181 96 HA ASP 13 HA ASP 13 -7.931 -11.235 -3.716 97 HB2 ASP 13 2HB ASP 13 -9.684 -10.241 -5.151 98 HB3 ASP 13 1HB ASP 13 -8.832 -10.828 -6.576 99 H GLY 14 H GLY 14 -6.573 -12.871 -3.483 100 HA2 GLY 14 2HA GLY 14 -5.167 -14.618 -3.967 101 HA3 GLY 14 1HA GLY 14 -5.619 -14.446 -5.657 102 H ALA 15 H ALA 15 -4.169 -13.618 -7.031 103 HA ALA 15 HA ALA 15 -2.214 -12.868 -7.899 104 HB1 ALA 15 3HB ALA 15 -1.131 -10.949 -6.886 105 HB2 ALA 15 1HB ALA 15 -2.021 -11.210 -5.385 106 HB3 ALA 15 2HB ALA 15 -2.882 -10.749 -6.853 107 H GLU 16 H GLU 16 -1.077 -14.785 -7.889 108 HA GLU 16 HA GLU 16 0.325 -15.707 -5.552 109 HB2 GLU 16 2HB GLU 16 -0.646 -17.295 -7.144 110 HB3 GLU 16 1HB GLU 16 0.404 -16.687 -8.415 111 HG2 GLU 16 2HG GLU 16 2.351 -17.536 -7.294 112 HG3 GLU 16 1HG GLU 16 1.394 -17.989 -5.884 113 H SER 17 H SER 17 1.612 -13.896 -5.134 114 HA SER 17 HA SER 17 3.574 -12.789 -4.970 115 HB2 SER 17 2HB SER 17 5.624 -13.856 -5.607 116 HB3 SER 17 1HB SER 17 4.521 -15.120 -5.071 117 HG SER 17 HG SER 17 4.111 -15.604 -7.256 118 H LEU 18 H LEU 18 3.772 -10.845 -5.828 119 HA LEU 18 HA LEU 18 4.186 -10.586 -8.744 120 HB2 LEU 18 2HB LEU 18 2.445 -8.804 -7.025 121 HB3 LEU 18 1HB LEU 18 2.837 -8.512 -8.708 122 HG LEU 18 HG LEU 18 1.220 -10.846 -7.658 123 HD11 LEU 18 1HD1 LEU 18 0.005 -8.751 -7.498 124 HD12 LEU 18 2HD1 LEU 18 -0.663 -9.748 -8.789 125 HD13 LEU 18 3HD1 LEU 18 0.378 -8.378 -9.181 126 HD21 LEU 18 3HD2 LEU 18 2.507 -11.438 -9.662 127 HD22 LEU 18 1HD2 LEU 18 1.832 -10.044 -10.508 128 HD23 LEU 18 2HD2 LEU 18 0.778 -11.363 -9.997 129 H ASN 19 H ASN 19 5.911 -9.332 -9.291 130 HA ASN 19 HA ASN 19 7.438 -8.038 -7.198 131 HB2 ASN 19 2HB ASN 19 9.078 -7.562 -8.945 132 HB3 ASN 19 1HB ASN 19 8.581 -9.246 -9.030 133 HD21 ASN 19 1HD2 ASN 19 9.788 -7.746 -11.094 134 HD22 ASN 19 2HD2 ASN 19 8.675 -7.679 -12.413 135 H VAL 20 H VAL 20 8.321 -5.717 -7.772 136 HA VAL 20 HA VAL 20 6.175 -3.940 -7.541 137 HB VAL 20 HB VAL 20 8.958 -3.222 -8.498 138 HG11 VAL 20 1HG1 VAL 20 7.348 -1.427 -8.828 139 HG12 VAL 20 2HG1 VAL 20 8.461 -1.018 -7.522 140 HG13 VAL 20 3HG1 VAL 20 6.824 -1.561 -7.150 141 HG21 VAL 20 3HG2 VAL 20 9.082 -4.489 -6.425 142 HG22 VAL 20 1HG2 VAL 20 7.869 -3.444 -5.685 143 HG23 VAL 20 2HG2 VAL 20 9.450 -2.792 -6.117 144 H THR 21 H THR 21 8.032 -4.874 -10.429 145 HA THR 21 HA THR 21 6.884 -3.168 -12.306 146 HB THR 21 HB THR 21 7.644 -6.074 -12.735 147 HG1 THR 21 HG1 THR 21 9.618 -4.964 -13.566 148 HG21 THR 21 3HG2 THR 21 7.364 -3.802 -14.717 149 HG22 THR 21 1HG2 THR 21 6.298 -5.203 -14.586 150 HG23 THR 21 2HG2 THR 21 7.975 -5.414 -15.084 151 H GLU 22 H GLU 22 5.692 -6.358 -11.202 152 HA GLU 22 HA GLU 22 3.340 -6.320 -12.783 153 HB2 GLU 22 2HB GLU 22 4.375 -7.979 -10.553 154 HB3 GLU 22 1HB GLU 22 2.630 -7.985 -10.774 155 HG2 GLU 22 2HG GLU 22 4.660 -8.654 -12.903 156 HG3 GLU 22 1HG GLU 22 3.729 -9.823 -11.963 157 H LEU 23 H LEU 23 4.037 -5.023 -9.585 158 HA LEU 23 HA LEU 23 1.340 -4.410 -8.915 159 HB2 LEU 23 2HB LEU 23 3.889 -3.031 -8.051 160 HB3 LEU 23 1HB LEU 23 2.314 -2.800 -7.314 161 HG LEU 23 HG LEU 23 3.951 -5.343 -7.300 162 HD11 LEU 23 1HD1 LEU 23 3.179 -3.446 -5.082 163 HD12 LEU 23 2HD1 LEU 23 4.788 -3.647 -5.775 164 HD13 LEU 23 3HD1 LEU 23 4.043 -4.969 -4.877 165 HD21 LEU 23 3HD2 LEU 23 1.581 -5.884 -7.473 166 HD22 LEU 23 1HD2 LEU 23 1.221 -4.817 -6.114 167 HD23 LEU 23 2HD2 LEU 23 2.192 -6.269 -5.865 168 H LEU 24 H LEU 24 3.849 -2.680 -10.697 169 HA LEU 24 HA LEU 24 2.461 -0.261 -11.118 170 HB2 LEU 24 2HB LEU 24 4.509 -1.613 -12.884 171 HB3 LEU 24 1HB LEU 24 4.007 0.061 -13.015 172 HG LEU 24 HG LEU 24 5.437 -1.148 -10.642 173 HD11 LEU 24 1HD1 LEU 24 7.352 0.173 -11.359 174 HD12 LEU 24 2HD1 LEU 24 6.456 0.720 -12.776 175 HD13 LEU 24 3HD1 LEU 24 6.879 -0.983 -12.604 176 HD21 LEU 24 3HD2 LEU 24 5.645 1.169 -9.864 177 HD22 LEU 24 1HD2 LEU 24 3.957 0.670 -9.981 178 HD23 LEU 24 2HD2 LEU 24 4.658 1.710 -11.221 179 H SER 25 H SER 25 2.469 -3.314 -12.915 180 HA SER 25 HA SER 25 0.732 -2.360 -15.004 181 HB2 SER 25 2HB SER 25 0.642 -4.695 -15.738 182 HB3 SER 25 1HB SER 25 2.306 -4.246 -15.363 183 HG SER 25 HG SER 25 2.086 -6.124 -14.327 184 H ALA 26 H ALA 26 0.283 -4.189 -12.004 185 HA ALA 26 HA ALA 26 -2.429 -4.840 -12.277 186 HB1 ALA 26 3HB ALA 26 -0.945 -4.214 -9.720 187 HB2 ALA 26 1HB ALA 26 -0.970 -5.778 -10.534 188 HB3 ALA 26 2HB ALA 26 -2.455 -5.113 -9.856 189 H LEU 27 H LEU 27 -0.933 -1.977 -10.775 190 HA LEU 27 HA LEU 27 -3.462 -0.617 -10.439 191 HB2 LEU 27 2HB LEU 27 -0.628 0.429 -10.250 192 HB3 LEU 27 1HB LEU 27 -2.068 1.274 -9.706 193 HG LEU 27 HG LEU 27 -1.098 -1.359 -8.566 194 HD11 LEU 27 1HD1 LEU 27 -0.805 1.427 -7.445 195 HD12 LEU 27 2HD1 LEU 27 0.493 0.412 -8.072 196 HD13 LEU 27 3HD1 LEU 27 -0.381 -0.073 -6.620 197 HD21 LEU 27 3HD2 LEU 27 -3.246 0.547 -7.620 198 HD22 LEU 27 1HD2 LEU 27 -2.704 -0.901 -6.769 199 HD23 LEU 27 2HD2 LEU 27 -3.503 -1.046 -8.332 200 H LYS 28 H LYS 28 -1.150 -0.998 -12.908 201 HA LYS 28 HA LYS 28 -1.103 -0.445 -15.081 202 HB2 LYS 28 2HB LYS 28 -3.558 -0.912 -14.936 203 HB3 LYS 28 1HB LYS 28 -3.827 0.806 -14.688 204 HG2 LYS 28 2HG LYS 28 -4.227 0.167 -17.007 205 HG3 LYS 28 1HG LYS 28 -2.871 1.291 -16.884 206 HD2 LYS 28 2HD LYS 28 -1.316 -0.649 -16.984 207 HD3 LYS 28 1HD LYS 28 -2.704 -1.711 -17.220 208 HE2 LYS 28 2HE LYS 28 -3.236 -0.632 -19.312 209 HE3 LYS 28 1HE LYS 28 -1.978 0.577 -19.051 210 HZ1 LYS 28 3HZ LYS 28 -1.560 -2.333 -19.476 211 HZ2 LYS 28 1HZ LYS 28 -0.331 -1.221 -19.131 212 HZ3 LYS 28 2HZ LYS 28 -1.205 -1.092 -20.570 213 H VAL 29 H VAL 29 0.642 0.983 -14.546 214 HA VAL 29 HA VAL 29 0.045 3.844 -14.750 215 HB VAL 29 HB VAL 29 1.774 3.151 -13.139 216 HG11 VAL 29 1HG1 VAL 29 2.619 1.176 -14.293 217 HG12 VAL 29 2HG1 VAL 29 3.934 2.287 -13.905 218 HG13 VAL 29 3HG1 VAL 29 3.314 2.195 -15.553 219 HG21 VAL 29 3HG2 VAL 29 3.533 4.727 -13.828 220 HG22 VAL 29 1HG2 VAL 29 1.918 5.378 -14.114 221 HG23 VAL 29 2HG2 VAL 29 2.866 4.746 -15.461 222 H ALA 30 H ALA 30 0.615 5.119 -16.527 223 HA ALA 30 HA ALA 30 0.886 3.695 -19.043 224 HB1 ALA 30 3HB ALA 30 -0.717 5.539 -18.849 225 HB2 ALA 30 1HB ALA 30 0.490 5.858 -20.095 226 HB3 ALA 30 2HB ALA 30 0.608 6.659 -18.529 227 H GLN 31 H GLN 31 2.777 6.091 -17.203 228 HA GLN 31 HA GLN 31 4.985 5.900 -19.090 229 HB2 GLN 31 2HB GLN 31 4.711 7.455 -16.506 230 HB3 GLN 31 1HB GLN 31 6.116 7.519 -17.559 231 HG2 GLN 31 2HG GLN 31 3.320 8.407 -18.241 232 HG3 GLN 31 1HG GLN 31 4.708 9.445 -17.921 233 HE21 GLN 31 1HE2 GLN 31 3.065 9.391 -20.276 234 HE22 GLN 31 2HE2 GLN 31 4.115 9.015 -21.602 235 H ALA 32 H ALA 32 5.317 3.595 -18.752 236 HA ALA 32 HA ALA 32 5.967 2.461 -16.241 237 HB1 ALA 32 3HB ALA 32 6.711 0.517 -17.514 238 HB2 ALA 32 1HB ALA 32 6.684 1.469 -18.999 239 HB3 ALA 32 2HB ALA 32 5.181 1.133 -18.141 240 H GLU 33 H GLU 33 7.876 4.244 -18.518 241 HA GLU 33 HA GLU 33 10.413 3.334 -17.386 242 HB2 GLU 33 2HB GLU 33 9.848 5.310 -19.610 243 HB3 GLU 33 1HB GLU 33 11.439 4.719 -19.149 244 HG2 GLU 33 2HG GLU 33 9.198 2.987 -20.187 245 HG3 GLU 33 1HG GLU 33 10.514 3.628 -21.167 246 H TYR 34 H TYR 34 8.164 5.720 -16.656 247 HA TYR 34 HA TYR 34 10.225 7.470 -15.445 248 HB2 TYR 34 2HB TYR 34 7.587 8.434 -16.577 249 HB3 TYR 34 1HB TYR 34 8.912 9.423 -15.973 250 HD1 TYR 34 HD2 TYR 34 7.755 7.312 -18.755 251 HD2 TYR 34 HD1 TYR 34 10.854 9.878 -17.358 252 HE1 TYR 34 HE2 TYR 34 8.676 7.424 -21.025 253 HE2 TYR 34 HE1 TYR 34 11.786 9.995 -19.631 254 HH TYR 34 HH TYR 34 11.749 8.635 -21.718 255 H VAL 35 H VAL 35 7.956 5.318 -14.655 256 HA VAL 35 HA VAL 35 6.297 6.703 -12.819 257 HB VAL 35 HB VAL 35 5.586 4.583 -13.761 258 HG11 VAL 35 1HG1 VAL 35 7.748 3.479 -13.952 259 HG12 VAL 35 2HG1 VAL 35 6.599 2.456 -13.093 260 HG13 VAL 35 3HG1 VAL 35 7.844 3.327 -12.197 261 HG21 VAL 35 3HG2 VAL 35 4.775 3.487 -11.724 262 HG22 VAL 35 1HG2 VAL 35 4.663 5.243 -11.588 263 HG23 VAL 35 2HG2 VAL 35 5.959 4.375 -10.764 264 H THR 36 H THR 36 6.608 7.300 -10.772 265 HA THR 36 HA THR 36 9.009 6.337 -9.345 266 HB THR 36 HB THR 36 7.521 8.956 -9.005 267 HG1 THR 36 HG1 THR 36 9.653 9.763 -9.686 268 HG21 THR 36 3HG2 THR 36 8.348 8.175 -6.849 269 HG22 THR 36 1HG2 THR 36 9.317 9.536 -7.413 270 HG23 THR 36 2HG2 THR 36 9.946 7.893 -7.541 271 H VAL 37 H VAL 37 8.489 4.831 -7.896 272 HA VAL 37 HA VAL 37 6.272 5.334 -6.029 273 HB VAL 37 HB VAL 37 5.596 2.957 -6.091 274 HG11 VAL 37 1HG1 VAL 37 4.370 4.596 -7.431 275 HG12 VAL 37 2HG1 VAL 37 4.385 3.014 -8.210 276 HG13 VAL 37 3HG1 VAL 37 5.448 4.296 -8.793 277 HG21 VAL 37 3HG2 VAL 37 6.344 1.508 -7.944 278 HG22 VAL 37 1HG2 VAL 37 7.676 1.960 -6.880 279 HG23 VAL 37 2HG2 VAL 37 7.487 2.756 -8.442 280 H GLU 38 H GLU 38 6.458 4.158 -4.007 281 HA GLU 38 HA GLU 38 9.085 2.922 -3.498 282 HB2 GLU 38 2HB GLU 38 9.224 3.974 -1.306 283 HB3 GLU 38 1HB GLU 38 9.136 5.201 -2.558 284 HG2 GLU 38 2HG GLU 38 6.558 4.408 -1.349 285 HG3 GLU 38 1HG GLU 38 7.682 5.245 -0.285 286 H LEU 39 H LEU 39 9.064 1.648 -1.412 287 HA LEU 39 HA LEU 39 6.391 0.686 -0.679 288 HB2 LEU 39 2HB LEU 39 7.406 -1.647 -0.486 289 HB3 LEU 39 1HB LEU 39 7.032 -1.048 -2.086 290 HG LEU 39 HG LEU 39 9.567 -0.369 -2.134 291 HD11 LEU 39 1HD1 LEU 39 11.000 -1.937 -0.895 292 HD12 LEU 39 2HD1 LEU 39 9.581 -2.540 -0.037 293 HD13 LEU 39 3HD1 LEU 39 10.098 -0.869 0.178 294 HD21 LEU 39 3HD2 LEU 39 10.116 -2.549 -3.098 295 HD22 LEU 39 1HD2 LEU 39 8.525 -1.994 -3.620 296 HD23 LEU 39 2HD2 LEU 39 8.661 -3.238 -2.377 297 H ASN 40 H ASN 40 6.030 0.717 1.424 298 HA ASN 40 HA ASN 40 6.334 1.118 3.646 299 HB2 ASN 40 2HB ASN 40 8.911 -0.445 3.298 300 HB3 ASN 40 1HB ASN 40 8.024 -0.201 4.799 301 HD21 ASN 40 1HD2 ASN 40 8.159 -1.918 1.811 302 HD22 ASN 40 2HD2 ASN 40 6.924 -3.067 2.168 303 H GLY 41 H GLY 41 7.672 2.949 1.589 304 HA2 GLY 41 2HA GLY 41 8.530 5.122 2.274 305 HA3 GLY 41 1HA GLY 41 9.526 4.303 3.461 306 H GLU 42 H GLU 42 10.575 2.261 1.765 307 HA GLU 42 HA GLU 42 12.800 3.664 0.656 308 HB2 GLU 42 2HB GLU 42 12.874 1.364 1.669 309 HB3 GLU 42 1HB GLU 42 12.018 0.761 0.260 310 HG2 GLU 42 2HG GLU 42 14.202 0.238 -0.244 311 HG3 GLU 42 1HG GLU 42 13.995 1.772 -1.083 312 H VAL 43 H VAL 43 12.928 4.609 -1.345 313 HA VAL 43 HA VAL 43 10.866 4.086 -3.319 314 HB VAL 43 HB VAL 43 11.681 6.393 -2.936 315 HG11 VAL 43 1HG1 VAL 43 14.035 5.962 -2.538 316 HG12 VAL 43 2HG1 VAL 43 13.850 7.098 -3.873 317 HG13 VAL 43 3HG1 VAL 43 14.244 5.409 -4.197 318 HG21 VAL 43 3HG2 VAL 43 10.586 5.836 -5.047 319 HG22 VAL 43 1HG2 VAL 43 12.139 5.366 -5.743 320 HG23 VAL 43 2HG2 VAL 43 11.844 7.047 -5.297 321 H LEU 44 H LEU 44 11.122 3.197 -5.376 322 HA LEU 44 HA LEU 44 13.384 1.360 -5.622 323 HB2 LEU 44 2HB LEU 44 10.812 1.578 -7.198 324 HB3 LEU 44 1HB LEU 44 12.070 0.407 -7.535 325 HG LEU 44 HG LEU 44 10.354 -0.715 -6.326 326 HD11 LEU 44 1HD1 LEU 44 12.633 -0.124 -4.434 327 HD12 LEU 44 2HD1 LEU 44 12.620 -1.347 -5.705 328 HD13 LEU 44 3HD1 LEU 44 11.526 -1.496 -4.330 329 HD21 LEU 44 3HD2 LEU 44 9.247 1.239 -5.358 330 HD22 LEU 44 1HD2 LEU 44 10.567 1.422 -4.202 331 HD23 LEU 44 2HD2 LEU 44 9.533 -0.006 -4.146 332 H GLU 45 H GLU 45 14.916 1.427 -7.174 333 HA GLU 45 HA GLU 45 15.203 3.786 -8.805 334 HB2 GLU 45 2HB GLU 45 17.129 2.639 -7.718 335 HB3 GLU 45 1HB GLU 45 16.862 1.243 -8.752 336 HG2 GLU 45 2HG GLU 45 18.710 2.622 -9.546 337 HG3 GLU 45 1HG GLU 45 17.397 2.562 -10.720 338 H ARG 46 H ARG 46 15.685 3.615 -11.166 339 HA ARG 46 HA ARG 46 13.567 2.805 -12.692 340 HB2 ARG 46 2HB ARG 46 14.982 3.136 -14.637 341 HB3 ARG 46 1HB ARG 46 15.369 4.343 -13.418 342 HG2 ARG 46 2HG ARG 46 17.319 2.982 -12.730 343 HG3 ARG 46 1HG ARG 46 16.947 1.842 -14.022 344 HD2 ARG 46 2HD ARG 46 18.675 3.283 -14.819 345 HD3 ARG 46 1HD ARG 46 17.188 3.737 -15.650 346 HE ARG 46 HE ARG 46 17.040 5.635 -14.102 347 HH11 ARG 46 1HH1 ARG 46 20.095 4.061 -14.431 348 HH12 ARG 46 2HH1 ARG 46 20.981 5.454 -13.923 349 HH21 ARG 46 1HH2 ARG 46 18.193 7.414 -13.480 350 HH22 ARG 46 2HH2 ARG 46 19.922 7.328 -13.391 351 H GLU 47 H GLU 47 16.102 0.743 -11.536 352 HA GLU 47 HA GLU 47 15.232 -1.438 -13.337 353 HB2 GLU 47 2HB GLU 47 17.581 -2.320 -13.033 354 HB3 GLU 47 1HB GLU 47 17.444 -0.824 -13.951 355 HG2 GLU 47 2HG GLU 47 18.025 0.432 -11.880 356 HG3 GLU 47 1HG GLU 47 18.299 -1.113 -11.075 357 H ALA 48 H ALA 48 14.781 -0.509 -10.293 358 HA ALA 48 HA ALA 48 15.440 -3.028 -8.953 359 HB1 ALA 48 3HB ALA 48 14.734 -1.896 -6.905 360 HB2 ALA 48 1HB ALA 48 14.209 -0.501 -7.850 361 HB3 ALA 48 2HB ALA 48 15.918 -0.936 -7.792 362 H PHE 49 H PHE 49 12.820 -1.715 -10.631 363 HA PHE 49 HA PHE 49 10.597 -2.608 -9.158 364 HB2 PHE 49 2HB PHE 49 10.827 -2.322 -12.166 365 HB3 PHE 49 1HB PHE 49 9.332 -2.370 -11.240 366 HD1 PHE 49 HD2 PHE 49 9.122 -0.521 -9.373 367 HD2 PHE 49 HD1 PHE 49 11.713 -0.266 -12.746 368 HE1 PHE 49 HE2 PHE 49 9.181 1.925 -9.137 369 HE2 PHE 49 HE1 PHE 49 11.772 2.181 -12.513 370 HZ PHE 49 HZ PHE 49 10.507 3.280 -10.711 371 H ASP 50 H ASP 50 12.597 -4.266 -11.557 372 HA ASP 50 HA ASP 50 10.866 -6.510 -11.876 373 HB2 ASP 50 2HB ASP 50 13.799 -6.208 -12.553 374 HB3 ASP 50 1HB ASP 50 12.737 -7.489 -13.136 375 H ALA 51 H ALA 51 14.028 -6.188 -10.236 376 HA ALA 51 HA ALA 51 14.150 -8.846 -9.324 377 HB1 ALA 51 3HB ALA 51 16.111 -7.390 -9.541 378 HB2 ALA 51 1HB ALA 51 16.004 -8.114 -7.935 379 HB3 ALA 51 2HB ALA 51 15.542 -6.429 -8.176 380 H THR 52 H THR 52 12.821 -5.952 -7.775 381 HA THR 52 HA THR 52 12.576 -7.169 -5.190 382 HB THR 52 HB THR 52 11.318 -4.633 -6.267 383 HG1 THR 52 HG1 THR 52 13.341 -4.026 -6.005 384 HG21 THR 52 3HG2 THR 52 11.484 -5.658 -3.422 385 HG22 THR 52 1HG2 THR 52 10.011 -5.487 -4.379 386 HG23 THR 52 2HG2 THR 52 10.924 -4.057 -3.901 387 H THR 53 H THR 53 11.362 -8.997 -5.233 388 HA THR 53 HA THR 53 8.691 -9.018 -6.363 389 HB THR 53 HB THR 53 8.554 -11.325 -5.432 390 HG1 THR 53 HG1 THR 53 9.852 -11.395 -3.678 391 HG21 THR 53 3HG2 THR 53 11.079 -10.770 -7.008 392 HG22 THR 53 1HG2 THR 53 9.460 -10.953 -7.689 393 HG23 THR 53 2HG2 THR 53 10.245 -12.320 -6.898 394 H VAL 54 H VAL 54 6.861 -8.548 -5.318 395 HA VAL 54 HA VAL 54 6.976 -8.040 -2.421 396 HB VAL 54 HB VAL 54 4.907 -7.129 -4.445 397 HG11 VAL 54 1HG1 VAL 54 4.128 -5.619 -2.685 398 HG12 VAL 54 2HG1 VAL 54 5.308 -6.299 -1.564 399 HG13 VAL 54 3HG1 VAL 54 3.992 -7.301 -2.177 400 HG21 VAL 54 3HG2 VAL 54 7.078 -6.103 -4.865 401 HG22 VAL 54 1HG2 VAL 54 7.193 -5.613 -3.175 402 HG23 VAL 54 2HG2 VAL 54 5.951 -4.915 -4.214 403 H LYS 55 H LYS 55 5.232 -8.753 -1.067 404 HA LYS 55 HA LYS 55 3.686 -11.045 -2.055 405 HB2 LYS 55 2HB LYS 55 4.428 -12.265 0.084 406 HB3 LYS 55 1HB LYS 55 5.580 -12.171 -1.241 407 HG2 LYS 55 2HG LYS 55 6.848 -10.498 -0.157 408 HG3 LYS 55 1HG LYS 55 5.586 -10.211 1.043 409 HD2 LYS 55 2HD LYS 55 6.990 -12.867 0.783 410 HD3 LYS 55 1HD LYS 55 7.622 -11.563 1.786 411 HE2 LYS 55 2HE LYS 55 4.895 -12.828 2.076 412 HE3 LYS 55 1HE LYS 55 6.296 -13.159 3.095 413 HZ1 LYS 55 3HZ LYS 55 4.944 -11.580 4.213 414 HZ2 LYS 55 1HZ LYS 55 4.834 -10.590 2.847 415 HZ3 LYS 55 2HZ LYS 55 6.308 -10.753 3.659 416 H ASP 56 H ASP 56 2.609 -11.977 0.260 417 HA ASP 56 HA ASP 56 0.598 -10.073 0.846 418 HB2 ASP 56 2HB ASP 56 0.215 -12.506 0.904 419 HB3 ASP 56 1HB ASP 56 1.299 -12.648 2.285 420 H GLY 57 H GLY 57 0.344 -8.652 2.503 421 HA2 GLY 57 2HA GLY 57 0.644 -7.670 4.583 422 HA3 GLY 57 1HA GLY 57 1.838 -8.898 4.970 423 H ASP 58 H ASP 58 1.649 -6.415 2.400 424 HA ASP 58 HA ASP 58 4.023 -5.119 3.531 425 HB2 ASP 58 2HB ASP 58 4.537 -6.881 1.654 426 HB3 ASP 58 1HB ASP 58 3.942 -5.630 0.566 427 H ALA 59 H ALA 59 4.494 -3.102 1.818 428 HA ALA 59 HA ALA 59 1.900 -1.781 1.370 429 HB1 ALA 59 3HB ALA 59 4.153 -0.540 2.946 430 HB2 ALA 59 1HB ALA 59 2.664 -1.191 3.633 431 HB3 ALA 59 2HB ALA 59 2.602 0.207 2.558 432 H VAL 60 H VAL 60 1.965 -1.383 -0.759 433 HA VAL 60 HA VAL 60 4.396 -0.208 -1.932 434 HB VAL 60 HB VAL 60 3.666 -2.131 -3.169 435 HG11 VAL 60 1HG1 VAL 60 0.956 -0.815 -3.401 436 HG12 VAL 60 2HG1 VAL 60 1.343 -2.233 -2.428 437 HG13 VAL 60 3HG1 VAL 60 1.442 -2.317 -4.187 438 HG21 VAL 60 3HG2 VAL 60 3.300 -1.175 -5.396 439 HG22 VAL 60 1HG2 VAL 60 4.505 -0.249 -4.499 440 HG23 VAL 60 2HG2 VAL 60 2.863 0.371 -4.669 441 H GLU 61 H GLU 61 4.448 1.927 -2.110 442 HA GLU 61 HA GLU 61 1.954 3.462 -2.054 443 HB2 GLU 61 2HB GLU 61 4.827 4.340 -1.685 444 HB3 GLU 61 1HB GLU 61 3.421 5.391 -1.542 445 HG2 GLU 61 2HG GLU 61 2.608 4.066 0.340 446 HG3 GLU 61 1HG GLU 61 3.987 2.981 0.183 447 H PHE 62 H PHE 62 1.110 3.938 -3.957 448 HA PHE 62 HA PHE 62 2.840 4.278 -6.308 449 HB2 PHE 62 2HB PHE 62 0.969 2.608 -6.364 450 HB3 PHE 62 1HB PHE 62 -0.169 3.940 -6.201 451 HD1 PHE 62 HD2 PHE 62 2.319 2.368 -8.418 452 HD2 PHE 62 HD1 PHE 62 -0.728 5.324 -8.074 453 HE1 PHE 62 HE2 PHE 62 2.308 2.631 -10.858 454 HE2 PHE 62 HE1 PHE 62 -0.743 5.592 -10.522 455 HZ PHE 62 HZ PHE 62 0.777 4.247 -11.918 456 H LEU 63 H LEU 63 3.360 6.307 -6.816 457 HA LEU 63 HA LEU 63 1.732 8.536 -5.901 458 HB2 LEU 63 2HB LEU 63 4.315 8.614 -7.471 459 HB3 LEU 63 1HB LEU 63 3.565 9.945 -6.607 460 HG LEU 63 HG LEU 63 4.831 7.485 -5.394 461 HD11 LEU 63 1HD1 LEU 63 6.427 9.136 -6.181 462 HD12 LEU 63 2HD1 LEU 63 6.404 9.076 -4.420 463 HD13 LEU 63 3HD1 LEU 63 5.600 10.399 -5.265 464 HD21 LEU 63 3HD2 LEU 63 2.860 8.088 -4.100 465 HD22 LEU 63 1HD2 LEU 63 3.410 9.761 -4.004 466 HD23 LEU 63 2HD2 LEU 63 4.330 8.482 -3.207 467 H TYR 64 H TYR 64 0.550 9.897 -7.161 468 HA TYR 64 HA TYR 64 0.232 9.186 -10.013 469 HB2 TYR 64 2HB TYR 64 -1.999 10.221 -9.855 470 HB3 TYR 64 1HB TYR 64 -1.802 8.958 -8.646 471 HD1 TYR 64 HD1 TYR 64 -1.422 9.591 -6.249 472 HD2 TYR 64 HD2 TYR 64 -2.429 12.487 -9.210 473 HE1 TYR 64 HE1 TYR 64 -2.071 11.172 -4.481 474 HE2 TYR 64 HE2 TYR 64 -3.075 14.073 -7.450 475 HH TYR 64 HH TYR 64 -3.884 13.909 -5.028 476 H PHE 65 H PHE 65 2.306 10.939 -8.870 477 HA PHE 65 HA PHE 65 1.844 13.654 -8.998 478 HB2 PHE 65 2HB PHE 65 4.259 13.909 -9.279 479 HB3 PHE 65 1HB PHE 65 3.904 12.634 -8.118 480 HD1 PHE 65 HD2 PHE 65 3.960 10.208 -8.970 481 HD2 PHE 65 HD1 PHE 65 5.651 13.482 -11.116 482 HE1 PHE 65 HE2 PHE 65 5.352 8.643 -10.261 483 HE2 PHE 65 HE1 PHE 65 7.040 11.919 -12.409 484 HZ PHE 65 HZ PHE 65 6.895 9.498 -11.980 485 H MET 66 H MET 66 2.408 15.280 -10.520 486 HA MET 66 HA MET 66 2.613 16.331 -12.523 487 HB2 MET 66 2HB MET 66 4.393 14.471 -12.838 488 HB3 MET 66 1HB MET 66 3.203 13.697 -13.872 489 HG2 MET 66 2HG MET 66 4.336 14.850 -15.460 490 HG3 MET 66 1HG MET 66 3.185 16.104 -15.009 491 HE1 MET 66 3HE MET 66 3.806 18.169 -13.375 492 HE2 MET 66 1HE MET 66 5.404 18.394 -12.665 493 HE3 MET 66 2HE MET 66 4.383 17.060 -12.132 494 H GLY 67 H GLY 67 1.580 16.487 -14.763 495 HA2 GLY 67 2HA GLY 67 -0.449 14.728 -15.610 496 HA3 GLY 67 1HA GLY 67 -1.189 15.996 -14.646 497 H GLY 68 H GLY 68 -1.415 18.047 -15.508 498 HA2 GLY 68 2HA GLY 68 -0.099 19.488 -17.281 499 HA3 GLY 68 1HA GLY 68 -0.817 18.312 -18.372 500 H GLY 69 H GLY 69 -1.179 21.343 -17.760 501 HA2 GLY 69 2HA GLY 69 -4.029 21.400 -17.071 502 HA3 GLY 69 1HA GLY 69 -2.963 22.785 -17.177 503 H LYS 70 H LYS 70 -2.514 20.849 -19.888 504 HA LYS 70 HA LYS 70 -4.793 21.590 -21.446 505 HB2 LYS 70 2HB LYS 70 -3.727 23.789 -21.369 506 HB3 LYS 70 1HB LYS 70 -2.219 23.100 -21.954 507 HG2 LYS 70 2HG LYS 70 -3.251 22.567 -24.087 508 HG3 LYS 70 1HG LYS 70 -4.808 23.166 -23.509 509 HD2 LYS 70 2HD LYS 70 -3.891 25.411 -23.288 510 HD3 LYS 70 1HD LYS 70 -2.295 24.829 -23.767 511 HE2 LYS 70 2HE LYS 70 -3.170 24.224 -25.971 512 HE3 LYS 70 1HE LYS 70 -4.776 24.769 -25.490 513 HZ1 LYS 70 3HZ LYS 70 -3.480 26.389 -26.829 514 HZ2 LYS 70 1HZ LYS 70 -2.394 26.530 -25.541 515 HZ3 LYS 70 2HZ LYS 70 -4.008 26.995 -25.341 516 H LEU 71 H LEU 71 -4.938 19.610 -22.337 517 HA LEU 71 HA LEU 71 -2.696 18.686 -24.023 518 HB2 LEU 71 2HB LEU 71 -4.491 16.981 -22.282 519 HB3 LEU 71 1HB LEU 71 -3.342 16.348 -23.448 520 HG LEU 71 HG LEU 71 -2.620 17.982 -21.003 521 HD11 LEU 71 1HD1 LEU 71 -1.735 15.896 -20.100 522 HD12 LEU 71 2HD1 LEU 71 -2.317 15.021 -21.518 523 HD13 LEU 71 3HD1 LEU 71 -3.466 15.769 -20.406 524 HD21 LEU 71 3HD2 LEU 71 -1.026 18.295 -22.823 525 HD22 LEU 71 1HD2 LEU 71 -0.868 16.548 -23.009 526 HD23 LEU 71 2HD2 LEU 71 -0.309 17.334 -21.531 527 H GLU 72 H GLU 72 -5.412 20.115 -24.440 528 HA GLU 72 HA GLU 72 -7.130 18.279 -25.750 529 HB2 GLU 72 2HB GLU 72 -8.056 20.297 -24.854 530 HB3 GLU 72 1HB GLU 72 -6.998 21.294 -25.845 531 HG2 GLU 72 2HG GLU 72 -8.135 20.535 -27.864 532 HG3 GLU 72 1HG GLU 72 -9.160 19.471 -26.903 533 H HIS 73 H HIS 73 -6.505 17.196 -27.494 534 HA HIS 73 HA HIS 73 -6.066 18.779 -29.919 535 HB2 HIS 73 2HB HIS 73 -4.391 16.383 -29.115 536 HB3 HIS 73 1HB HIS 73 -4.461 17.001 -30.762 537 HD1 HIS 73 HD1 HIS 73 -3.967 19.829 -30.692 538 HD2 HIS 73 HD2 HIS 73 -2.208 17.358 -27.855 539 HE1 HIS 73 HE1 HIS 73 -2.017 21.122 -29.801 540 HE2 HIS 73 HE2 HIS 73 -0.841 19.519 -28.266 541 H HIS 74 H HIS 74 -6.689 15.529 -28.620 542 HA HIS 74 HA HIS 74 -8.282 13.986 -29.048 543 HB2 HIS 74 2HB HIS 74 -9.674 16.270 -30.462 544 HB3 HIS 74 1HB HIS 74 -10.410 14.704 -30.129 545 HD1 HIS 74 HD1 HIS 74 -10.656 14.093 -27.516 546 HD2 HIS 74 HD2 HIS 74 -9.818 18.065 -28.395 547 HE1 HIS 74 HE1 HIS 74 -11.212 15.369 -25.433 548 HE2 HIS 74 HE2 HIS 74 -10.848 17.784 -26.034 549 H HIS 75 H HIS 75 -8.087 12.300 -30.328 550 HA HIS 75 HA HIS 75 -6.718 12.573 -32.862 551 HB2 HIS 75 2HB HIS 75 -6.288 10.838 -31.008 552 HB3 HIS 75 1HB HIS 75 -7.715 10.008 -31.613 553 HD1 HIS 75 HD1 HIS 75 -4.165 10.779 -32.452 554 HD2 HIS 75 HD2 HIS 75 -7.355 8.656 -34.056 555 HE1 HIS 75 HE1 HIS 75 -3.181 9.374 -34.278 556 HE2 HIS 75 HE2 HIS 75 -5.087 7.936 -35.073 557 H HIS 76 H HIS 76 -9.264 13.686 -33.137 558 HA HIS 76 HA HIS 76 -11.052 11.701 -34.282 559 HB2 HIS 76 2HB HIS 76 -11.988 13.563 -32.966 560 HB3 HIS 76 1HB HIS 76 -11.349 14.714 -34.137 561 HD1 HIS 76 HD1 HIS 76 -12.897 15.349 -35.969 562 HD2 HIS 76 HD2 HIS 76 -13.970 11.731 -34.225 563 HE1 HIS 76 HE1 HIS 76 -15.038 14.671 -37.081 564 HE2 HIS 76 HE2 HIS 76 -15.555 12.393 -36.157 565 H HIS 77 H HIS 77 -11.207 11.185 -36.354 566 HA HIS 77 HA HIS 77 -10.480 13.040 -38.478 567 HB2 HIS 77 2HB HIS 77 -8.354 11.900 -38.030 568 HB3 HIS 77 1HB HIS 77 -9.140 10.333 -38.166 569 HD1 HIS 77 HD1 HIS 77 -8.132 13.299 -40.284 570 HD2 HIS 77 HD2 HIS 77 -9.312 9.339 -40.740 571 HE1 HIS 77 HE1 HIS 77 -7.781 12.770 -42.710 572 HE2 HIS 77 HE2 HIS 77 -8.511 10.376 -42.972 573 H HIS 78 H HIS 78 -11.561 12.601 -40.427 574 HA HIS 78 HA HIS 78 -13.857 10.826 -40.174 575 HB2 HIS 78 2HB HIS 78 -13.096 12.755 -42.388 576 HB3 HIS 78 1HB HIS 78 -14.623 11.885 -42.277 577 HD1 HIS 78 HD1 HIS 78 -16.441 12.948 -40.912 578 HD2 HIS 78 HD2 HIS 78 -12.751 14.755 -40.296 579 HE1 HIS 78 HE1 HIS 78 -16.911 14.982 -39.527 580 HE2 HIS 78 HE2 HIS 78 -14.709 16.174 -39.378 Start of MODEL 2 1 H1 MET 1 1H MET 1 -3.725 -10.979 -2.222 2 H2 MET 1 2H MET 1 -4.120 -11.745 -0.766 3 H3 MET 1 3H MET 1 -3.035 -12.475 -1.838 4 HA MET 1 HA MET 1 -1.936 -11.474 0.079 5 HB2 MET 1 2HB MET 1 -0.223 -10.232 -1.215 6 HB3 MET 1 1HB MET 1 -0.667 -11.763 -1.952 7 HG2 MET 1 2HG MET 1 -2.112 -10.556 -3.537 8 HG3 MET 1 1HG MET 1 -1.588 -9.028 -2.820 9 HE1 MET 1 3HE MET 1 0.271 -8.999 -6.265 10 HE2 MET 1 1HE MET 1 -0.790 -8.108 -5.176 11 HE3 MET 1 2HE MET 1 -1.355 -9.598 -5.930 12 H ASN 2 H ASN 2 -1.757 -9.838 1.501 13 HA ASN 2 HA ASN 2 -3.494 -7.520 1.194 14 HB2 ASN 2 2HB ASN 2 -1.764 -8.444 3.502 15 HB3 ASN 2 1HB ASN 2 -2.817 -7.033 3.548 16 HD21 ASN 2 1HD2 ASN 2 -2.666 -10.486 3.584 17 HD22 ASN 2 2HD2 ASN 2 -4.327 -10.752 3.960 18 H LEU 3 H LEU 3 -2.803 -5.636 0.379 19 HA LEU 3 HA LEU 3 0.035 -4.870 0.717 20 HB2 LEU 3 2HB LEU 3 -1.751 -4.398 -1.666 21 HB3 LEU 3 1HB LEU 3 -0.168 -3.680 -1.473 22 HG LEU 3 HG LEU 3 -0.736 -6.641 -1.708 23 HD11 LEU 3 1HD1 LEU 3 0.324 -6.458 -3.903 24 HD12 LEU 3 2HD1 LEU 3 0.472 -4.713 -3.691 25 HD13 LEU 3 3HD1 LEU 3 -1.124 -5.457 -3.805 26 HD21 LEU 3 3HD2 LEU 3 1.874 -5.129 -1.551 27 HD22 LEU 3 1HD2 LEU 3 1.709 -6.850 -1.900 28 HD23 LEU 3 2HD2 LEU 3 1.218 -6.220 -0.329 29 H THR 4 H THR 4 0.147 -3.185 2.079 30 HA THR 4 HA THR 4 -2.100 -1.445 2.536 31 HB THR 4 HB THR 4 0.740 -1.104 3.545 32 HG1 THR 4 HG1 THR 4 -0.145 -2.147 5.452 33 HG21 THR 4 3HG2 THR 4 -0.304 0.186 5.352 34 HG22 THR 4 1HG2 THR 4 -1.884 -0.021 4.593 35 HG23 THR 4 2HG2 THR 4 -0.630 0.919 3.782 36 H VAL 5 H VAL 5 -2.374 -0.651 0.355 37 HA VAL 5 HA VAL 5 -0.300 0.802 -0.985 38 HB VAL 5 HB VAL 5 -3.264 0.723 -1.601 39 HG11 VAL 5 1HG1 VAL 5 -0.920 1.527 -3.330 40 HG12 VAL 5 2HG1 VAL 5 -2.155 2.604 -2.678 41 HG13 VAL 5 3HG1 VAL 5 -2.593 1.381 -3.870 42 HG21 VAL 5 3HG2 VAL 5 -1.013 -0.990 -2.661 43 HG22 VAL 5 1HG2 VAL 5 -2.679 -1.014 -3.242 44 HG23 VAL 5 2HG2 VAL 5 -2.313 -1.517 -1.592 45 H ASN 6 H ASN 6 0.361 2.774 -0.395 46 HA ASN 6 HA ASN 6 0.388 4.968 0.219 47 HB2 ASN 6 2HB ASN 6 -2.515 4.858 -0.643 48 HB3 ASN 6 1HB ASN 6 -1.687 6.338 -0.181 49 HD21 ASN 6 1HD2 ASN 6 -0.267 3.707 -2.042 50 HD22 ASN 6 2HD2 ASN 6 -0.083 4.614 -3.494 51 H GLY 7 H GLY 7 -0.491 2.785 2.153 52 HA2 GLY 7 2HA GLY 7 -0.632 3.106 4.519 53 HA3 GLY 7 1HA GLY 7 -1.511 4.598 4.246 54 H LYS 8 H LYS 8 -3.014 2.706 2.142 55 HA LYS 8 HA LYS 8 -5.051 1.897 4.099 56 HB2 LYS 8 2HB LYS 8 -5.264 2.155 1.088 57 HB3 LYS 8 1HB LYS 8 -6.576 1.688 2.155 58 HG2 LYS 8 2HG LYS 8 -7.033 3.915 1.838 59 HG3 LYS 8 1HG LYS 8 -6.079 3.973 3.319 60 HD2 LYS 8 2HD LYS 8 -5.147 5.679 2.035 61 HD3 LYS 8 1HD LYS 8 -4.053 4.328 1.736 62 HE2 LYS 8 2HE LYS 8 -6.299 5.236 -0.076 63 HE3 LYS 8 1HE LYS 8 -4.585 5.531 -0.333 64 HZ1 LYS 8 3HZ LYS 8 -5.264 3.702 -1.678 65 HZ2 LYS 8 1HZ LYS 8 -5.966 2.903 -0.366 66 HZ3 LYS 8 2HZ LYS 8 -4.291 3.088 -0.439 67 HA PRO 9 HA PRO 9 -3.559 -2.351 3.576 68 HB2 PRO 9 2HB PRO 9 -5.991 -2.946 5.180 69 HB3 PRO 9 1HB PRO 9 -4.306 -3.381 5.486 70 HG2 PRO 9 2HG PRO 9 -5.517 -1.481 6.920 71 HG3 PRO 9 1HG PRO 9 -3.815 -1.328 6.448 72 HD2 PRO 9 2HD PRO 9 -6.236 -0.017 5.251 73 HD3 PRO 9 1HD PRO 9 -4.634 0.674 5.589 74 H SER 10 H SER 10 -4.003 -2.687 1.401 75 HA SER 10 HA SER 10 -6.782 -3.117 0.565 76 HB2 SER 10 2HB SER 10 -4.285 -2.913 -1.146 77 HB3 SER 10 1HB SER 10 -5.954 -2.891 -1.717 78 HG SER 10 HG SER 10 -5.009 -0.989 0.151 79 H THR 11 H THR 11 -7.346 -5.172 1.110 80 HA THR 11 HA THR 11 -5.611 -7.431 0.797 81 HB THR 11 HB THR 11 -8.625 -7.443 1.132 82 HG1 THR 11 HG1 THR 11 -6.560 -7.552 3.114 83 HG21 THR 11 3HG2 THR 11 -7.696 -9.596 0.392 84 HG22 THR 11 1HG2 THR 11 -8.278 -9.691 2.056 85 HG23 THR 11 2HG2 THR 11 -6.550 -9.561 1.732 86 H VAL 12 H VAL 12 -4.959 -7.254 -1.427 87 HA VAL 12 HA VAL 12 -7.031 -7.779 -3.443 88 HB VAL 12 HB VAL 12 -5.193 -7.409 -5.112 89 HG11 VAL 12 1HG1 VAL 12 -5.079 -4.957 -4.769 90 HG12 VAL 12 2HG1 VAL 12 -5.746 -5.178 -3.150 91 HG13 VAL 12 3HG1 VAL 12 -6.708 -5.608 -4.565 92 HG21 VAL 12 3HG2 VAL 12 -3.107 -6.357 -4.358 93 HG22 VAL 12 1HG2 VAL 12 -3.276 -7.986 -3.702 94 HG23 VAL 12 2HG2 VAL 12 -3.595 -6.585 -2.678 95 H ASP 13 H ASP 13 -7.487 -9.854 -3.873 96 HA ASP 13 HA ASP 13 -5.298 -11.829 -3.677 97 HB2 ASP 13 2HB ASP 13 -7.261 -11.881 -1.960 98 HB3 ASP 13 1HB ASP 13 -8.193 -12.564 -3.289 99 H GLY 14 H GLY 14 -6.241 -14.011 -4.895 100 HA2 GLY 14 2HA GLY 14 -6.818 -14.929 -6.965 101 HA3 GLY 14 1HA GLY 14 -7.343 -13.339 -7.502 102 H ALA 15 H ALA 15 -4.314 -13.124 -6.128 103 HA ALA 15 HA ALA 15 -2.768 -13.838 -8.484 104 HB1 ALA 15 3HB ALA 15 -3.521 -11.566 -9.016 105 HB2 ALA 15 1HB ALA 15 -1.779 -11.612 -8.745 106 HB3 ALA 15 2HB ALA 15 -2.851 -10.981 -7.494 107 H GLU 16 H GLU 16 -1.458 -15.201 -7.359 108 HA GLU 16 HA GLU 16 -0.642 -14.664 -4.665 109 HB2 GLU 16 2HB GLU 16 0.211 -16.854 -6.570 110 HB3 GLU 16 1HB GLU 16 0.582 -16.805 -4.852 111 HG2 GLU 16 2HG GLU 16 -1.745 -17.005 -4.281 112 HG3 GLU 16 1HG GLU 16 -2.213 -16.860 -5.976 113 H SER 17 H SER 17 0.443 -12.654 -5.030 114 HA SER 17 HA SER 17 2.309 -11.399 -4.868 115 HB2 SER 17 2HB SER 17 4.475 -12.433 -4.414 116 HB3 SER 17 1HB SER 17 3.206 -13.228 -3.493 117 HG SER 17 HG SER 17 3.704 -14.367 -5.952 118 H LEU 18 H LEU 18 3.759 -10.270 -6.098 119 HA LEU 18 HA LEU 18 4.721 -11.276 -8.631 120 HB2 LEU 18 2HB LEU 18 3.633 -9.330 -9.896 121 HB3 LEU 18 1HB LEU 18 2.624 -10.701 -9.498 122 HG LEU 18 HG LEU 18 1.758 -9.376 -7.519 123 HD11 LEU 18 1HD1 LEU 18 3.166 -7.095 -8.911 124 HD12 LEU 18 2HD1 LEU 18 3.537 -7.736 -7.310 125 HD13 LEU 18 3HD1 LEU 18 1.996 -6.932 -7.601 126 HD21 LEU 18 3HD2 LEU 18 0.435 -9.640 -9.528 127 HD22 LEU 18 1HD2 LEU 18 1.272 -8.287 -10.291 128 HD23 LEU 18 2HD2 LEU 18 0.236 -8.007 -8.891 129 H ASN 19 H ASN 19 5.858 -9.369 -9.870 130 HA ASN 19 HA ASN 19 7.344 -7.790 -7.890 131 HB2 ASN 19 2HB ASN 19 8.964 -7.383 -9.738 132 HB3 ASN 19 1HB ASN 19 8.741 -9.092 -9.384 133 HD21 ASN 19 1HD2 ASN 19 9.380 -9.802 -11.377 134 HD22 ASN 19 2HD2 ASN 19 8.460 -9.532 -12.814 135 H VAL 20 H VAL 20 8.083 -5.534 -8.811 136 HA VAL 20 HA VAL 20 5.778 -3.928 -8.883 137 HB VAL 20 HB VAL 20 8.573 -3.130 -9.733 138 HG11 VAL 20 1HG1 VAL 20 6.266 -1.426 -8.771 139 HG12 VAL 20 2HG1 VAL 20 6.877 -1.503 -10.425 140 HG13 VAL 20 3HG1 VAL 20 7.893 -0.852 -9.139 141 HG21 VAL 20 3HG2 VAL 20 8.867 -2.375 -7.416 142 HG22 VAL 20 1HG2 VAL 20 8.570 -4.112 -7.496 143 HG23 VAL 20 2HG2 VAL 20 7.277 -3.019 -7.003 144 H THR 21 H THR 21 7.844 -5.083 -11.516 145 HA THR 21 HA THR 21 6.825 -3.599 -13.645 146 HB THR 21 HB THR 21 7.691 -6.503 -13.730 147 HG1 THR 21 HG1 THR 21 9.760 -5.672 -14.078 148 HG21 THR 21 3HG2 THR 21 7.621 -4.392 -15.899 149 HG22 THR 21 1HG2 THR 21 6.564 -5.801 -15.789 150 HG23 THR 21 2HG2 THR 21 8.293 -6.013 -16.070 151 H GLU 22 H GLU 22 5.653 -6.699 -12.333 152 HA GLU 22 HA GLU 22 3.433 -7.002 -14.052 153 HB2 GLU 22 2HB GLU 22 3.977 -8.043 -11.264 154 HB3 GLU 22 1HB GLU 22 2.561 -8.506 -12.197 155 HG2 GLU 22 2HG GLU 22 5.377 -8.915 -13.183 156 HG3 GLU 22 1HG GLU 22 4.506 -10.114 -12.230 157 H LEU 23 H LEU 23 3.773 -5.465 -10.871 158 HA LEU 23 HA LEU 23 1.156 -4.770 -10.318 159 HB2 LEU 23 2HB LEU 23 3.104 -4.390 -8.828 160 HB3 LEU 23 1HB LEU 23 3.605 -3.057 -9.849 161 HG LEU 23 HG LEU 23 1.462 -1.888 -9.288 162 HD11 LEU 23 1HD1 LEU 23 1.153 -4.146 -7.305 163 HD12 LEU 23 2HD1 LEU 23 0.115 -3.830 -8.697 164 HD13 LEU 23 3HD1 LEU 23 0.173 -2.680 -7.361 165 HD21 LEU 23 3HD2 LEU 23 3.175 -2.640 -6.915 166 HD22 LEU 23 1HD2 LEU 23 2.159 -1.205 -7.063 167 HD23 LEU 23 2HD2 LEU 23 3.566 -1.402 -8.110 168 H LEU 24 H LEU 24 3.501 -2.794 -12.179 169 HA LEU 24 HA LEU 24 1.786 -0.747 -12.979 170 HB2 LEU 24 2HB LEU 24 4.248 -1.963 -14.172 171 HB3 LEU 24 1HB LEU 24 3.342 -0.804 -15.123 172 HG LEU 24 HG LEU 24 5.226 0.245 -13.958 173 HD11 LEU 24 1HD1 LEU 24 3.237 1.573 -14.449 174 HD12 LEU 24 2HD1 LEU 24 4.019 2.107 -12.963 175 HD13 LEU 24 3HD1 LEU 24 2.548 1.135 -12.886 176 HD21 LEU 24 3HD2 LEU 24 5.238 0.475 -11.527 177 HD22 LEU 24 1HD2 LEU 24 5.324 -1.220 -11.999 178 HD23 LEU 24 2HD2 LEU 24 3.804 -0.546 -11.411 179 H SER 25 H SER 25 2.376 -3.884 -14.543 180 HA SER 25 HA SER 25 0.701 -3.426 -16.791 181 HB2 SER 25 2HB SER 25 2.450 -5.148 -16.808 182 HB3 SER 25 1HB SER 25 1.592 -6.051 -15.560 183 HG SER 25 HG SER 25 1.064 -6.939 -17.534 184 H ALA 26 H ALA 26 0.045 -4.554 -13.549 185 HA ALA 26 HA ALA 26 -2.568 -5.606 -14.112 186 HB1 ALA 26 3HB ALA 26 -1.311 -4.826 -11.480 187 HB2 ALA 26 1HB ALA 26 -1.264 -6.426 -12.220 188 HB3 ALA 26 2HB ALA 26 -2.800 -5.751 -11.674 189 H LEU 27 H LEU 27 -1.332 -2.542 -12.787 190 HA LEU 27 HA LEU 27 -3.991 -1.436 -12.475 191 HB2 LEU 27 2HB LEU 27 -1.218 -0.338 -12.089 192 HB3 LEU 27 1HB LEU 27 -2.617 0.718 -12.044 193 HG LEU 27 HG LEU 27 -1.920 0.108 -9.793 194 HD11 LEU 27 1HD1 LEU 27 -4.048 -0.692 -8.932 195 HD12 LEU 27 2HD1 LEU 27 -4.525 -1.214 -10.548 196 HD13 LEU 27 3HD1 LEU 27 -4.291 0.502 -10.206 197 HD21 LEU 27 3HD2 LEU 27 -2.051 -2.173 -8.966 198 HD22 LEU 27 1HD2 LEU 27 -0.888 -2.056 -10.286 199 HD23 LEU 27 2HD2 LEU 27 -2.482 -2.752 -10.576 200 H LYS 28 H LYS 28 -1.983 -1.852 -15.107 201 HA LYS 28 HA LYS 28 -2.006 -1.126 -17.265 202 HB2 LYS 28 2HB LYS 28 -4.760 -0.071 -16.566 203 HB3 LYS 28 1HB LYS 28 -4.147 -0.382 -18.186 204 HG2 LYS 28 2HG LYS 28 -4.688 -2.436 -16.041 205 HG3 LYS 28 1HG LYS 28 -5.640 -2.156 -17.501 206 HD2 LYS 28 2HD LYS 28 -3.750 -2.843 -18.887 207 HD3 LYS 28 1HD LYS 28 -2.756 -3.072 -17.447 208 HE2 LYS 28 2HE LYS 28 -4.442 -4.765 -16.668 209 HE3 LYS 28 1HE LYS 28 -5.214 -4.626 -18.247 210 HZ1 LYS 28 3HZ LYS 28 -2.419 -5.491 -17.749 211 HZ2 LYS 28 1HZ LYS 28 -3.137 -5.348 -19.273 212 HZ3 LYS 28 2HZ LYS 28 -3.704 -6.501 -18.172 213 H VAL 29 H VAL 29 -0.697 0.592 -15.490 214 HA VAL 29 HA VAL 29 -1.527 3.316 -16.130 215 HB VAL 29 HB VAL 29 0.740 2.319 -14.388 216 HG11 VAL 29 1HG1 VAL 29 -0.351 5.125 -14.712 217 HG12 VAL 29 2HG1 VAL 29 1.211 4.552 -15.294 218 HG13 VAL 29 3HG1 VAL 29 0.889 4.625 -13.562 219 HG21 VAL 29 3HG2 VAL 29 -1.996 3.399 -13.680 220 HG22 VAL 29 1HG2 VAL 29 -0.718 3.039 -12.521 221 HG23 VAL 29 2HG2 VAL 29 -1.436 1.740 -13.472 222 H ALA 30 H ALA 30 -0.756 4.390 -17.812 223 HA ALA 30 HA ALA 30 1.335 3.320 -19.490 224 HB1 ALA 30 3HB ALA 30 0.770 5.168 -20.977 225 HB2 ALA 30 1HB ALA 30 -0.216 5.902 -19.708 226 HB3 ALA 30 2HB ALA 30 -0.693 4.357 -20.416 227 H GLN 31 H GLN 31 2.362 4.074 -16.926 228 HA GLN 31 HA GLN 31 4.143 6.314 -17.636 229 HB2 GLN 31 2HB GLN 31 2.611 6.000 -15.045 230 HB3 GLN 31 1HB GLN 31 3.917 7.150 -15.279 231 HG2 GLN 31 2HG GLN 31 2.677 8.369 -16.897 232 HG3 GLN 31 1HG GLN 31 1.430 7.121 -16.969 233 HE21 GLN 31 1HE2 GLN 31 -0.105 7.020 -15.358 234 HE22 GLN 31 2HE2 GLN 31 -0.323 8.277 -14.199 235 H ALA 32 H ALA 32 4.716 3.490 -17.682 236 HA ALA 32 HA ALA 32 5.995 2.493 -15.408 237 HB1 ALA 32 3HB ALA 32 7.185 0.983 -16.918 238 HB2 ALA 32 1HB ALA 32 6.718 1.981 -18.295 239 HB3 ALA 32 2HB ALA 32 5.486 1.124 -17.370 240 H GLU 33 H GLU 33 7.099 4.890 -17.692 241 HA GLU 33 HA GLU 33 9.846 4.857 -16.758 242 HB2 GLU 33 2HB GLU 33 9.396 5.391 -19.084 243 HB3 GLU 33 1HB GLU 33 8.348 6.720 -18.615 244 HG2 GLU 33 2HG GLU 33 10.454 7.586 -19.375 245 HG3 GLU 33 1HG GLU 33 10.292 7.885 -17.648 246 H TYR 34 H TYR 34 6.915 6.478 -15.897 247 HA TYR 34 HA TYR 34 8.387 8.565 -14.405 248 HB2 TYR 34 2HB TYR 34 5.424 8.581 -15.010 249 HB3 TYR 34 1HB TYR 34 6.445 9.934 -14.534 250 HD1 TYR 34 HD1 TYR 34 8.202 10.766 -16.214 251 HD2 TYR 34 HD2 TYR 34 5.078 8.066 -17.269 252 HE1 TYR 34 HE1 TYR 34 8.519 11.327 -18.593 253 HE2 TYR 34 HE2 TYR 34 5.390 8.617 -19.639 254 HH TYR 34 HH TYR 34 8.066 10.212 -20.833 255 H VAL 35 H VAL 35 6.986 5.624 -13.875 256 HA VAL 35 HA VAL 35 5.239 6.154 -11.714 257 HB VAL 35 HB VAL 35 4.941 4.161 -13.027 258 HG11 VAL 35 1HG1 VAL 35 7.266 3.684 -13.595 259 HG12 VAL 35 2HG1 VAL 35 6.465 2.258 -12.937 260 HG13 VAL 35 3HG1 VAL 35 7.580 3.184 -11.932 261 HG21 VAL 35 3HG2 VAL 35 5.692 3.451 -10.189 262 HG22 VAL 35 1HG2 VAL 35 4.637 2.515 -11.248 263 HG23 VAL 35 2HG2 VAL 35 4.147 4.123 -10.713 264 H THR 36 H THR 36 6.373 7.450 -10.238 265 HA THR 36 HA THR 36 8.605 6.365 -8.756 266 HB THR 36 HB THR 36 6.871 8.766 -8.084 267 HG1 THR 36 HG1 THR 36 8.613 9.950 -9.033 268 HG21 THR 36 3HG2 THR 36 8.781 9.460 -6.689 269 HG22 THR 36 1HG2 THR 36 9.606 7.950 -7.074 270 HG23 THR 36 2HG2 THR 36 8.108 7.924 -6.143 271 H VAL 37 H VAL 37 7.895 4.424 -7.845 272 HA VAL 37 HA VAL 37 5.789 4.668 -5.787 273 HB VAL 37 HB VAL 37 5.705 2.165 -5.819 274 HG11 VAL 37 1HG1 VAL 37 4.450 2.011 -7.941 275 HG12 VAL 37 2HG1 VAL 37 5.098 3.580 -8.418 276 HG13 VAL 37 3HG1 VAL 37 4.038 3.455 -7.017 277 HG21 VAL 37 3HG2 VAL 37 6.670 0.977 -7.744 278 HG22 VAL 37 1HG2 VAL 37 7.926 1.720 -6.752 279 HG23 VAL 37 2HG2 VAL 37 7.448 2.467 -8.276 280 H GLU 38 H GLU 38 6.187 4.127 -3.682 281 HA GLU 38 HA GLU 38 8.918 3.249 -3.021 282 HB2 GLU 38 2HB GLU 38 8.856 4.735 -1.032 283 HB3 GLU 38 1HB GLU 38 8.822 5.603 -2.557 284 HG2 GLU 38 2HG GLU 38 6.302 5.732 -2.263 285 HG3 GLU 38 1HG GLU 38 6.570 5.178 -0.610 286 H LEU 39 H LEU 39 8.958 1.405 -1.994 287 HA LEU 39 HA LEU 39 6.602 0.277 -0.745 288 HB2 LEU 39 2HB LEU 39 9.330 -0.700 -1.462 289 HB3 LEU 39 1HB LEU 39 8.489 -1.543 -0.177 290 HG LEU 39 HG LEU 39 8.240 -2.602 -2.417 291 HD11 LEU 39 1HD1 LEU 39 6.604 -2.987 -0.643 292 HD12 LEU 39 2HD1 LEU 39 5.846 -3.009 -2.235 293 HD13 LEU 39 3HD1 LEU 39 5.670 -1.595 -1.195 294 HD21 LEU 39 3HD2 LEU 39 8.169 -0.575 -3.789 295 HD22 LEU 39 1HD2 LEU 39 6.611 -0.143 -3.080 296 HD23 LEU 39 2HD2 LEU 39 6.759 -1.594 -4.073 297 H ASN 40 H ASN 40 6.065 0.757 1.283 298 HA ASN 40 HA ASN 40 6.155 1.199 3.513 299 HB2 ASN 40 2HB ASN 40 8.869 -0.141 3.303 300 HB3 ASN 40 1HB ASN 40 8.004 0.174 4.804 301 HD21 ASN 40 1HD2 ASN 40 7.917 -1.992 5.341 302 HD22 ASN 40 2HD2 ASN 40 6.895 -3.112 4.517 303 H GLY 41 H GLY 41 7.183 3.215 1.605 304 HA2 GLY 41 2HA GLY 41 7.849 5.430 2.016 305 HA3 GLY 41 1HA GLY 41 8.575 4.920 3.530 306 H GLU 42 H GLU 42 9.567 2.833 1.109 307 HA GLU 42 HA GLU 42 12.065 4.361 0.696 308 HB2 GLU 42 2HB GLU 42 12.412 2.355 2.039 309 HB3 GLU 42 1HB GLU 42 11.627 1.365 0.816 310 HG2 GLU 42 2HG GLU 42 13.434 1.886 -0.758 311 HG3 GLU 42 1HG GLU 42 14.222 2.874 0.472 312 H VAL 43 H VAL 43 12.332 5.086 -1.341 313 HA VAL 43 HA VAL 43 10.697 4.155 -3.504 314 HB VAL 43 HB VAL 43 11.371 6.510 -3.330 315 HG11 VAL 43 1HG1 VAL 43 13.632 7.234 -3.863 316 HG12 VAL 43 2HG1 VAL 43 14.156 5.557 -4.008 317 HG13 VAL 43 3HG1 VAL 43 13.634 6.187 -2.444 318 HG21 VAL 43 3HG2 VAL 43 10.729 5.611 -5.514 319 HG22 VAL 43 1HG2 VAL 43 12.409 5.184 -5.841 320 HG23 VAL 43 2HG2 VAL 43 11.944 6.878 -5.678 321 H LEU 44 H LEU 44 11.236 2.920 -5.286 322 HA LEU 44 HA LEU 44 13.687 1.311 -5.006 323 HB2 LEU 44 2HB LEU 44 11.103 0.781 -6.477 324 HB3 LEU 44 1HB LEU 44 12.518 -0.243 -6.626 325 HG LEU 44 HG LEU 44 11.001 -1.281 -5.090 326 HD11 LEU 44 1HD1 LEU 44 13.251 -0.017 -3.529 327 HD12 LEU 44 2HD1 LEU 44 13.372 -1.462 -4.532 328 HD13 LEU 44 3HD1 LEU 44 12.364 -1.476 -3.085 329 HD21 LEU 44 3HD2 LEU 44 9.681 0.677 -4.471 330 HD22 LEU 44 1HD2 LEU 44 11.026 1.291 -3.510 331 HD23 LEU 44 2HD2 LEU 44 10.216 -0.204 -3.041 332 H GLU 45 H GLU 45 15.007 0.811 -6.783 333 HA GLU 45 HA GLU 45 15.245 2.799 -8.853 334 HB2 GLU 45 2HB GLU 45 16.662 0.132 -8.555 335 HB3 GLU 45 1HB GLU 45 17.115 1.411 -9.668 336 HG2 GLU 45 2HG GLU 45 18.623 1.476 -7.844 337 HG3 GLU 45 1HG GLU 45 17.560 2.877 -7.702 338 H ARG 46 H ARG 46 15.148 2.335 -11.175 339 HA ARG 46 HA ARG 46 12.872 0.903 -12.000 340 HB2 ARG 46 2HB ARG 46 15.250 1.963 -13.529 341 HB3 ARG 46 1HB ARG 46 13.901 1.160 -14.329 342 HG2 ARG 46 2HG ARG 46 12.362 2.828 -13.578 343 HG3 ARG 46 1HG ARG 46 13.585 3.568 -12.546 344 HD2 ARG 46 2HD ARG 46 14.858 4.258 -14.490 345 HD3 ARG 46 1HD ARG 46 13.736 3.413 -15.558 346 HE ARG 46 HE ARG 46 12.344 5.208 -15.436 347 HH11 ARG 46 1HH1 ARG 46 14.520 5.385 -12.762 348 HH12 ARG 46 2HH1 ARG 46 13.902 6.907 -12.226 349 HH21 ARG 46 1HH2 ARG 46 11.555 7.143 -14.726 350 HH22 ARG 46 2HH2 ARG 46 12.236 7.890 -13.318 351 H GLU 47 H GLU 47 16.258 -0.087 -11.829 352 HA GLU 47 HA GLU 47 15.868 -2.690 -12.933 353 HB2 GLU 47 2HB GLU 47 18.100 -1.703 -12.770 354 HB3 GLU 47 1HB GLU 47 17.974 -1.650 -11.017 355 HG2 GLU 47 2HG GLU 47 17.906 -4.093 -10.940 356 HG3 GLU 47 1HG GLU 47 18.022 -4.155 -12.699 357 H ALA 48 H ALA 48 15.471 -1.295 -9.741 358 HA ALA 48 HA ALA 48 15.255 -3.751 -8.310 359 HB1 ALA 48 3HB ALA 48 15.906 -1.677 -7.205 360 HB2 ALA 48 1HB ALA 48 14.476 -2.379 -6.448 361 HB3 ALA 48 2HB ALA 48 14.313 -0.994 -7.530 362 H PHE 49 H PHE 49 13.065 -2.096 -10.366 363 HA PHE 49 HA PHE 49 10.583 -2.779 -9.285 364 HB2 PHE 49 2HB PHE 49 11.461 -2.551 -12.173 365 HB3 PHE 49 1HB PHE 49 9.790 -2.844 -11.706 366 HD1 PHE 49 HD2 PHE 49 11.195 -0.796 -9.228 367 HD2 PHE 49 HD1 PHE 49 9.757 -0.667 -13.243 368 HE1 PHE 49 HE2 PHE 49 10.819 1.624 -9.018 369 HE2 PHE 49 HE1 PHE 49 9.381 1.752 -13.027 370 HZ PHE 49 HZ PHE 49 9.909 2.902 -10.918 371 H ASP 50 H ASP 50 12.665 -4.688 -11.444 372 HA ASP 50 HA ASP 50 11.018 -7.049 -11.192 373 HB2 ASP 50 2HB ASP 50 13.791 -6.711 -12.362 374 HB3 ASP 50 1HB ASP 50 12.769 -8.137 -12.531 375 H ALA 51 H ALA 51 13.643 -5.642 -9.463 376 HA ALA 51 HA ALA 51 14.372 -8.171 -8.168 377 HB1 ALA 51 3HB ALA 51 16.278 -6.969 -7.262 378 HB2 ALA 51 1HB ALA 51 15.658 -5.454 -7.917 379 HB3 ALA 51 2HB ALA 51 16.178 -6.738 -9.008 380 H THR 52 H THR 52 11.837 -6.525 -7.630 381 HA THR 52 HA THR 52 12.084 -6.647 -4.692 382 HB THR 52 HB THR 52 10.678 -4.456 -6.244 383 HG1 THR 52 HG1 THR 52 12.761 -3.861 -5.958 384 HG21 THR 52 3HG2 THR 52 10.633 -4.995 -3.263 385 HG22 THR 52 1HG2 THR 52 9.260 -5.131 -4.364 386 HG23 THR 52 2HG2 THR 52 9.988 -3.557 -4.052 387 H THR 53 H THR 53 10.826 -8.256 -4.038 388 HA THR 53 HA THR 53 8.526 -9.123 -5.558 389 HB THR 53 HB THR 53 8.253 -10.823 -3.743 390 HG1 THR 53 HG1 THR 53 9.969 -10.945 -2.187 391 HG21 THR 53 3HG2 THR 53 10.318 -12.071 -4.260 392 HG22 THR 53 1HG2 THR 53 11.018 -10.603 -4.945 393 HG23 THR 53 2HG2 THR 53 9.607 -11.344 -5.703 394 H VAL 54 H VAL 54 6.505 -8.537 -5.271 395 HA VAL 54 HA VAL 54 5.707 -7.066 -2.848 396 HB VAL 54 HB VAL 54 4.384 -7.034 -5.580 397 HG11 VAL 54 1HG1 VAL 54 3.115 -5.126 -4.722 398 HG12 VAL 54 2HG1 VAL 54 3.910 -5.289 -3.156 399 HG13 VAL 54 3HG1 VAL 54 2.836 -6.562 -3.736 400 HG21 VAL 54 3HG2 VAL 54 6.589 -5.987 -5.691 401 HG22 VAL 54 1HG2 VAL 54 6.186 -4.961 -4.312 402 HG23 VAL 54 2HG2 VAL 54 5.317 -4.775 -5.836 403 H LYS 55 H LYS 55 4.504 -8.241 -1.477 404 HA LYS 55 HA LYS 55 2.685 -10.296 -2.469 405 HB2 LYS 55 2HB LYS 55 3.680 -12.044 -1.038 406 HB3 LYS 55 1HB LYS 55 4.801 -11.496 -2.275 407 HG2 LYS 55 2HG LYS 55 4.849 -10.536 0.585 408 HG3 LYS 55 1HG LYS 55 5.808 -11.886 -0.018 409 HD2 LYS 55 2HD LYS 55 7.027 -10.446 -1.499 410 HD3 LYS 55 1HD LYS 55 5.950 -9.093 -1.155 411 HE2 LYS 55 2HE LYS 55 6.722 -9.272 1.258 412 HE3 LYS 55 1HE LYS 55 7.979 -10.364 0.674 413 HZ1 LYS 55 3HZ LYS 55 8.660 -8.555 -0.866 414 HZ2 LYS 55 1HZ LYS 55 8.880 -8.183 0.768 415 HZ3 LYS 55 2HZ LYS 55 7.574 -7.526 -0.083 416 H ASP 56 H ASP 56 2.333 -11.574 0.092 417 HA ASP 56 HA ASP 56 0.343 -9.812 1.085 418 HB2 ASP 56 2HB ASP 56 0.295 -12.362 1.066 419 HB3 ASP 56 1HB ASP 56 1.342 -12.299 2.479 420 H GLY 57 H GLY 57 1.337 -7.912 1.857 421 HA2 GLY 57 2HA GLY 57 1.415 -7.258 4.336 422 HA3 GLY 57 1HA GLY 57 2.878 -8.220 4.362 423 H ASP 58 H ASP 58 2.499 -6.461 1.421 424 HA ASP 58 HA ASP 58 4.712 -4.741 2.287 425 HB2 ASP 58 2HB ASP 58 3.626 -5.379 -0.459 426 HB3 ASP 58 1HB ASP 58 4.937 -4.242 -0.164 427 H ALA 59 H ALA 59 4.533 -2.621 2.640 428 HA ALA 59 HA ALA 59 1.996 -1.274 2.177 429 HB1 ALA 59 3HB ALA 59 2.993 0.599 3.403 430 HB2 ALA 59 1HB ALA 59 4.545 -0.240 3.433 431 HB3 ALA 59 2HB ALA 59 3.163 -0.911 4.301 432 H VAL 60 H VAL 60 2.411 -1.683 -0.213 433 HA VAL 60 HA VAL 60 4.427 -0.140 -1.533 434 HB VAL 60 HB VAL 60 3.708 -2.186 -2.564 435 HG11 VAL 60 1HG1 VAL 60 0.949 -0.976 -2.774 436 HG12 VAL 60 2HG1 VAL 60 1.428 -2.311 -1.725 437 HG13 VAL 60 3HG1 VAL 60 1.455 -2.513 -3.477 438 HG21 VAL 60 3HG2 VAL 60 2.787 0.163 -4.230 439 HG22 VAL 60 1HG2 VAL 60 3.235 -1.431 -4.842 440 HG23 VAL 60 2HG2 VAL 60 4.448 -0.409 -4.071 441 H GLU 61 H GLU 61 4.262 2.035 -1.210 442 HA GLU 61 HA GLU 61 1.773 3.436 -1.511 443 HB2 GLU 61 2HB GLU 61 4.615 4.468 -1.344 444 HB3 GLU 61 1HB GLU 61 3.182 5.491 -1.366 445 HG2 GLU 61 2HG GLU 61 2.408 4.351 0.708 446 HG3 GLU 61 1HG GLU 61 3.939 3.474 0.745 447 H PHE 62 H PHE 62 1.257 2.511 -3.628 448 HA PHE 62 HA PHE 62 2.603 3.471 -5.964 449 HB2 PHE 62 2HB PHE 62 1.072 1.434 -5.835 450 HB3 PHE 62 1HB PHE 62 -0.283 2.554 -5.778 451 HD1 PHE 62 HD1 PHE 62 -0.862 3.908 -7.742 452 HD2 PHE 62 HD2 PHE 62 2.285 1.040 -7.870 453 HE1 PHE 62 HE1 PHE 62 -0.880 3.998 -10.202 454 HE2 PHE 62 HE2 PHE 62 2.271 1.129 -10.327 455 HZ PHE 62 HZ PHE 62 0.690 2.608 -11.494 456 H LEU 63 H LEU 63 2.801 5.660 -6.043 457 HA LEU 63 HA LEU 63 0.900 7.415 -4.862 458 HB2 LEU 63 2HB LEU 63 3.264 8.027 -6.637 459 HB3 LEU 63 1HB LEU 63 2.380 9.201 -5.680 460 HG LEU 63 HG LEU 63 4.003 6.894 -4.589 461 HD11 LEU 63 1HD1 LEU 63 5.499 8.642 -3.742 462 HD12 LEU 63 2HD1 LEU 63 4.529 9.866 -4.565 463 HD13 LEU 63 3HD1 LEU 63 5.403 8.655 -5.504 464 HD21 LEU 63 3HD2 LEU 63 2.524 9.084 -3.122 465 HD22 LEU 63 1HD2 LEU 63 3.560 7.858 -2.388 466 HD23 LEU 63 2HD2 LEU 63 2.058 7.385 -3.182 467 H TYR 64 H TYR 64 -0.679 8.630 -5.711 468 HA TYR 64 HA TYR 64 -1.458 8.335 -8.475 469 HB2 TYR 64 2HB TYR 64 -2.544 10.138 -6.293 470 HB3 TYR 64 1HB TYR 64 -3.271 9.935 -7.883 471 HD1 TYR 64 HD1 TYR 64 -4.265 7.722 -8.509 472 HD2 TYR 64 HD2 TYR 64 -2.927 8.552 -4.549 473 HE1 TYR 64 HE1 TYR 64 -5.599 5.840 -7.666 474 HE2 TYR 64 HE2 TYR 64 -4.251 6.662 -3.703 475 HH TYR 64 HH TYR 64 -6.414 5.427 -4.534 476 H PHE 65 H PHE 65 0.907 10.078 -7.056 477 HA PHE 65 HA PHE 65 2.300 11.722 -7.743 478 HB2 PHE 65 2HB PHE 65 0.794 11.621 -10.368 479 HB3 PHE 65 1HB PHE 65 2.411 12.269 -10.104 480 HD1 PHE 65 HD1 PHE 65 4.069 10.500 -8.941 481 HD2 PHE 65 HD2 PHE 65 0.657 9.508 -11.293 482 HE1 PHE 65 HE1 PHE 65 5.031 8.283 -9.404 483 HE2 PHE 65 HE2 PHE 65 1.617 7.294 -11.757 484 HZ PHE 65 HZ PHE 65 3.804 6.677 -10.811 485 H MET 66 H MET 66 -0.404 12.319 -6.590 486 HA MET 66 HA MET 66 -1.757 14.065 -6.082 487 HB2 MET 66 2HB MET 66 0.792 15.517 -6.794 488 HB3 MET 66 1HB MET 66 -0.622 16.358 -6.169 489 HG2 MET 66 2HG MET 66 0.932 15.912 -4.380 490 HG3 MET 66 1HG MET 66 -0.539 14.973 -4.143 491 HE1 MET 66 3HE MET 66 3.268 14.943 -4.910 492 HE2 MET 66 1HE MET 66 2.646 14.379 -6.461 493 HE3 MET 66 2HE MET 66 3.561 13.282 -5.427 494 H GLY 67 H GLY 67 -1.646 13.123 -8.956 495 HA2 GLY 67 2HA GLY 67 -2.819 15.510 -10.250 496 HA3 GLY 67 1HA GLY 67 -2.180 14.111 -11.102 497 H GLY 68 H GLY 68 -3.589 12.551 -8.794 498 HA2 GLY 68 2HA GLY 68 -5.998 11.986 -10.267 499 HA3 GLY 68 1HA GLY 68 -5.473 11.220 -8.776 500 H GLY 69 H GLY 69 -8.048 12.645 -9.859 501 HA2 GLY 69 2HA GLY 69 -8.405 14.897 -8.107 502 HA3 GLY 69 1HA GLY 69 -9.619 14.184 -9.151 503 H LYS 70 H LYS 70 -7.891 13.593 -6.085 504 HA LYS 70 HA LYS 70 -10.087 12.019 -5.048 505 HB2 LYS 70 2HB LYS 70 -8.740 12.114 -2.881 506 HB3 LYS 70 1HB LYS 70 -7.997 11.298 -4.244 507 HG2 LYS 70 2HG LYS 70 -6.242 12.507 -3.355 508 HG3 LYS 70 1HG LYS 70 -6.798 13.558 -4.655 509 HD2 LYS 70 2HD LYS 70 -8.031 14.921 -3.043 510 HD3 LYS 70 1HD LYS 70 -7.533 13.846 -1.735 511 HE2 LYS 70 2HE LYS 70 -5.681 15.493 -3.466 512 HE3 LYS 70 1HE LYS 70 -6.175 15.893 -1.820 513 HZ1 LYS 70 3HZ LYS 70 -5.097 13.909 -1.025 514 HZ2 LYS 70 1HZ LYS 70 -3.991 14.830 -1.908 515 HZ3 LYS 70 2HZ LYS 70 -4.680 13.447 -2.594 516 H LEU 71 H LEU 71 -11.767 12.694 -3.820 517 HA LEU 71 HA LEU 71 -11.834 15.558 -3.075 518 HB2 LEU 71 2HB LEU 71 -14.130 13.920 -4.161 519 HB3 LEU 71 1HB LEU 71 -14.192 15.615 -3.712 520 HG LEU 71 HG LEU 71 -12.554 14.470 -5.989 521 HD11 LEU 71 1HD1 LEU 71 -14.938 14.356 -6.454 522 HD12 LEU 71 2HD1 LEU 71 -14.168 15.597 -7.442 523 HD13 LEU 71 3HD1 LEU 71 -15.121 16.059 -6.031 524 HD21 LEU 71 3HD2 LEU 71 -13.035 17.339 -5.161 525 HD22 LEU 71 1HD2 LEU 71 -12.192 16.813 -6.619 526 HD23 LEU 71 2HD2 LEU 71 -11.513 16.456 -5.031 527 H GLU 72 H GLU 72 -12.568 16.049 -1.053 528 HA GLU 72 HA GLU 72 -13.218 14.062 0.861 529 HB2 GLU 72 2HB GLU 72 -13.769 17.043 0.866 530 HB3 GLU 72 1HB GLU 72 -14.046 15.990 2.246 531 HG2 GLU 72 2HG GLU 72 -11.968 17.151 2.544 532 HG3 GLU 72 1HG GLU 72 -11.640 15.439 2.279 533 H HIS 73 H HIS 73 -15.164 13.138 1.407 534 HA HIS 73 HA HIS 73 -17.120 13.178 -0.648 535 HB2 HIS 73 2HB HIS 73 -16.440 11.231 0.914 536 HB3 HIS 73 1HB HIS 73 -17.604 11.921 2.040 537 HD1 HIS 73 HD1 HIS 73 -17.389 10.326 -1.368 538 HD2 HIS 73 HD2 HIS 73 -20.259 11.405 1.440 539 HE1 HIS 73 HE1 HIS 73 -19.538 9.312 -2.177 540 HE2 HIS 73 HE2 HIS 73 -21.228 9.879 -0.408 541 H HIS 74 H HIS 74 -16.890 14.858 2.391 542 HA HIS 74 HA HIS 74 -18.093 16.556 3.301 543 HB2 HIS 74 2HB HIS 74 -19.113 16.750 0.464 544 HB3 HIS 74 1HB HIS 74 -19.479 17.939 1.710 545 HD1 HIS 74 HD1 HIS 74 -17.168 17.342 -0.950 546 HD2 HIS 74 HD2 HIS 74 -16.902 19.048 2.830 547 HE1 HIS 74 HE1 HIS 74 -15.103 18.758 -0.997 548 HE2 HIS 74 HE2 HIS 74 -14.881 19.657 1.337 549 H HIS 75 H HIS 75 -19.383 13.755 3.102 550 HA HIS 75 HA HIS 75 -22.199 14.196 3.045 551 HB2 HIS 75 2HB HIS 75 -21.225 11.961 2.687 552 HB3 HIS 75 1HB HIS 75 -20.649 11.935 4.351 553 HD1 HIS 75 HD1 HIS 75 -23.894 11.985 2.392 554 HD2 HIS 75 HD2 HIS 75 -22.472 11.023 6.176 555 HE1 HIS 75 HE1 HIS 75 -25.823 10.907 3.580 556 HE2 HIS 75 HE2 HIS 75 -24.878 10.160 5.788 557 H HIS 76 H HIS 76 -23.379 15.268 4.504 558 HA HIS 76 HA HIS 76 -22.301 16.270 6.911 559 HB2 HIS 76 2HB HIS 76 -25.171 16.083 5.979 560 HB3 HIS 76 1HB HIS 76 -24.655 16.971 7.415 561 HD1 HIS 76 HD1 HIS 76 -25.816 17.938 4.420 562 HD2 HIS 76 HD2 HIS 76 -22.099 18.573 6.173 563 HE1 HIS 76 HE1 HIS 76 -24.882 19.982 3.303 564 HE2 HIS 76 HE2 HIS 76 -22.648 20.367 4.398 565 H HIS 77 H HIS 77 -22.242 15.522 8.940 566 HA HIS 77 HA HIS 77 -23.861 13.265 9.794 567 HB2 HIS 77 2HB HIS 77 -22.009 12.205 8.545 568 HB3 HIS 77 1HB HIS 77 -20.847 13.020 9.582 569 HD1 HIS 77 HD1 HIS 77 -20.294 11.925 11.787 570 HD2 HIS 77 HD2 HIS 77 -23.511 10.135 9.862 571 HE1 HIS 77 HE1 HIS 77 -20.753 9.818 13.064 572 HE2 HIS 77 HE2 HIS 77 -22.531 8.646 11.736 573 H HIS 78 H HIS 78 -24.051 13.119 12.010 574 HA HIS 78 HA HIS 78 -23.119 15.361 13.561 575 HB2 HIS 78 2HB HIS 78 -24.786 12.939 14.262 576 HB3 HIS 78 1HB HIS 78 -24.330 14.155 15.452 577 HD1 HIS 78 HD1 HIS 78 -25.969 16.007 15.716 578 HD2 HIS 78 HD2 HIS 78 -26.270 14.200 11.988 579 HE1 HIS 78 HE1 HIS 78 -27.909 17.120 14.587 580 HE2 HIS 78 HE2 HIS 78 -27.958 16.137 12.275 Start of MODEL 3 1 H1 MET 1 1H MET 1 -2.368 -12.181 -3.249 2 H2 MET 1 2H MET 1 -2.309 -10.545 -3.651 3 H3 MET 1 3H MET 1 -3.740 -11.212 -3.049 4 HA MET 1 HA MET 1 -2.646 -11.676 -0.932 5 HB2 MET 1 2HB MET 1 -0.447 -10.569 -0.506 6 HB3 MET 1 1HB MET 1 -0.357 -11.884 -1.670 7 HG2 MET 1 2HG MET 1 -0.588 -8.996 -2.484 8 HG3 MET 1 1HG MET 1 0.951 -9.800 -2.240 9 HE1 MET 1 3HE MET 1 0.573 -8.462 -4.977 10 HE2 MET 1 1HE MET 1 1.034 -9.756 -6.081 11 HE3 MET 1 2HE MET 1 1.936 -9.513 -4.586 12 H ASN 2 H ASN 2 -2.199 -9.882 0.753 13 HA ASN 2 HA ASN 2 -3.852 -7.547 0.058 14 HB2 ASN 2 2HB ASN 2 -2.977 -8.524 2.790 15 HB3 ASN 2 1HB ASN 2 -4.117 -7.223 2.472 16 HD21 ASN 2 1HD2 ASN 2 -6.174 -7.766 1.606 17 HD22 ASN 2 2HD2 ASN 2 -6.813 -9.361 1.780 18 H LEU 3 H LEU 3 -2.975 -5.563 -0.155 19 HA LEU 3 HA LEU 3 -0.263 -5.076 0.923 20 HB2 LEU 3 2HB LEU 3 -1.502 -4.013 -1.623 21 HB3 LEU 3 1HB LEU 3 -0.021 -3.385 -0.934 22 HG LEU 3 HG LEU 3 0.648 -4.823 -2.669 23 HD11 LEU 3 1HD1 LEU 3 0.873 -6.424 -0.121 24 HD12 LEU 3 2HD1 LEU 3 1.935 -5.102 -0.611 25 HD13 LEU 3 3HD1 LEU 3 1.885 -6.590 -1.557 26 HD21 LEU 3 3HD2 LEU 3 -1.189 -6.950 -1.565 27 HD22 LEU 3 1HD2 LEU 3 -0.135 -7.103 -2.972 28 HD23 LEU 3 2HD2 LEU 3 -1.489 -5.974 -3.003 29 H THR 4 H THR 4 0.106 -3.216 2.045 30 HA THR 4 HA THR 4 -2.205 -1.567 2.750 31 HB THR 4 HB THR 4 0.620 -1.418 3.847 32 HG1 THR 4 HG1 THR 4 -1.672 -2.868 4.735 33 HG21 THR 4 3HG2 THR 4 -0.404 -0.248 5.730 34 HG22 THR 4 1HG2 THR 4 -1.994 -0.390 4.977 35 HG23 THR 4 2HG2 THR 4 -0.747 0.605 4.225 36 H VAL 5 H VAL 5 -2.375 -0.577 0.639 37 HA VAL 5 HA VAL 5 -0.150 0.790 -0.551 38 HB VAL 5 HB VAL 5 -3.079 0.981 -1.296 39 HG11 VAL 5 1HG1 VAL 5 -0.583 1.569 -2.903 40 HG12 VAL 5 2HG1 VAL 5 -1.723 2.761 -2.278 41 HG13 VAL 5 3HG1 VAL 5 -2.237 1.615 -3.514 42 HG21 VAL 5 3HG2 VAL 5 -0.949 -0.932 -2.275 43 HG22 VAL 5 1HG2 VAL 5 -2.566 -0.767 -2.963 44 HG23 VAL 5 2HG2 VAL 5 -2.367 -1.343 -1.309 45 H ASN 6 H ASN 6 0.621 2.644 0.241 46 HA ASN 6 HA ASN 6 0.797 4.711 1.186 47 HB2 ASN 6 2HB ASN 6 -2.010 5.119 0.119 48 HB3 ASN 6 1HB ASN 6 -0.922 6.392 0.657 49 HD21 ASN 6 1HD2 ASN 6 -1.804 4.311 -1.897 50 HD22 ASN 6 2HD2 ASN 6 -0.668 4.901 -3.055 51 H GLY 7 H GLY 7 -0.356 2.493 2.783 52 HA2 GLY 7 2HA GLY 7 -0.866 2.471 5.086 53 HA3 GLY 7 1HA GLY 7 -1.463 4.116 4.956 54 H LYS 8 H LYS 8 -2.865 2.612 2.419 55 HA LYS 8 HA LYS 8 -5.326 2.083 3.941 56 HB2 LYS 8 2HB LYS 8 -4.901 2.690 1.005 57 HB3 LYS 8 1HB LYS 8 -6.458 2.261 1.697 58 HG2 LYS 8 2HG LYS 8 -6.384 4.630 1.452 59 HG3 LYS 8 1HG LYS 8 -6.280 4.264 3.176 60 HD2 LYS 8 2HD LYS 8 -3.838 4.572 3.081 61 HD3 LYS 8 1HD LYS 8 -3.956 4.951 1.363 62 HE2 LYS 8 2HE LYS 8 -5.249 6.930 1.847 63 HE3 LYS 8 1HE LYS 8 -5.304 6.518 3.562 64 HZ1 LYS 8 3HZ LYS 8 -3.624 8.181 3.141 65 HZ2 LYS 8 1HZ LYS 8 -2.859 7.187 2.007 66 HZ3 LYS 8 2HZ LYS 8 -2.888 6.743 3.640 67 HA PRO 9 HA PRO 9 -4.862 -2.260 3.111 68 HB2 PRO 9 2HB PRO 9 -7.340 -3.118 3.755 69 HB3 PRO 9 1HB PRO 9 -6.196 -2.541 4.973 70 HG2 PRO 9 2HG PRO 9 -8.494 -1.095 3.700 71 HG3 PRO 9 1HG PRO 9 -7.993 -1.124 5.401 72 HD2 PRO 9 2HD PRO 9 -7.385 0.918 3.688 73 HD3 PRO 9 1HD PRO 9 -6.376 0.481 5.078 74 H SER 10 H SER 10 -4.715 -3.139 1.158 75 HA SER 10 HA SER 10 -7.070 -3.159 -0.623 76 HB2 SER 10 2HB SER 10 -5.492 -1.438 -1.447 77 HB3 SER 10 1HB SER 10 -4.210 -2.648 -1.508 78 HG SER 10 HG SER 10 -5.201 -2.311 -3.552 79 H THR 11 H THR 11 -7.052 -4.948 -2.182 80 HA THR 11 HA THR 11 -5.306 -7.199 -1.406 81 HB THR 11 HB THR 11 -8.310 -7.445 -1.742 82 HG1 THR 11 HG1 THR 11 -8.413 -7.040 0.326 83 HG21 THR 11 3HG2 THR 11 -7.109 -9.468 -2.415 84 HG22 THR 11 1HG2 THR 11 -7.963 -9.737 -0.895 85 HG23 THR 11 2HG2 THR 11 -6.220 -9.466 -0.891 86 H VAL 12 H VAL 12 -4.239 -7.758 -3.236 87 HA VAL 12 HA VAL 12 -5.608 -7.557 -5.816 88 HB VAL 12 HB VAL 12 -3.412 -8.166 -6.814 89 HG11 VAL 12 1HG1 VAL 12 -3.355 -5.847 -4.874 90 HG12 VAL 12 2HG1 VAL 12 -4.000 -5.820 -6.516 91 HG13 VAL 12 3HG1 VAL 12 -2.271 -6.052 -6.250 92 HG21 VAL 12 3HG2 VAL 12 -2.479 -9.507 -5.019 93 HG22 VAL 12 1HG2 VAL 12 -2.447 -8.102 -3.953 94 HG23 VAL 12 2HG2 VAL 12 -1.405 -8.154 -5.376 95 H ASP 13 H ASP 13 -6.903 -9.185 -6.310 96 HA ASP 13 HA ASP 13 -6.441 -11.884 -5.380 97 HB2 ASP 13 2HB ASP 13 -8.715 -10.999 -5.437 98 HB3 ASP 13 1HB ASP 13 -8.587 -10.709 -7.170 99 H GLY 14 H GLY 14 -5.945 -13.674 -6.637 100 HA2 GLY 14 2HA GLY 14 -5.388 -14.843 -8.603 101 HA3 GLY 14 1HA GLY 14 -5.377 -13.326 -9.489 102 H ALA 15 H ALA 15 -3.651 -13.517 -6.477 103 HA ALA 15 HA ALA 15 -1.105 -14.227 -7.586 104 HB1 ALA 15 3HB ALA 15 -0.028 -12.037 -7.405 105 HB2 ALA 15 1HB ALA 15 -1.581 -11.303 -6.995 106 HB3 ALA 15 2HB ALA 15 -1.335 -12.015 -8.588 107 H GLU 16 H GLU 16 0.275 -14.838 -6.015 108 HA GLU 16 HA GLU 16 -0.411 -14.251 -3.214 109 HB2 GLU 16 2HB GLU 16 1.504 -16.280 -4.397 110 HB3 GLU 16 1HB GLU 16 1.180 -16.079 -2.680 111 HG2 GLU 16 2HG GLU 16 -1.134 -16.735 -3.010 112 HG3 GLU 16 1HG GLU 16 -0.870 -16.863 -4.748 113 H SER 17 H SER 17 2.276 -14.071 -5.517 114 HA SER 17 HA SER 17 3.365 -11.746 -4.240 115 HB2 SER 17 2HB SER 17 5.622 -12.770 -3.782 116 HB3 SER 17 1HB SER 17 4.340 -13.334 -2.712 117 HG SER 17 HG SER 17 5.267 -14.710 -5.024 118 H LEU 18 H LEU 18 3.799 -10.547 -5.962 119 HA LEU 18 HA LEU 18 5.251 -11.728 -8.247 120 HB2 LEU 18 2HB LEU 18 2.917 -9.803 -8.322 121 HB3 LEU 18 1HB LEU 18 3.955 -10.105 -9.700 122 HG LEU 18 HG LEU 18 2.257 -12.209 -8.341 123 HD11 LEU 18 1HD1 LEU 18 0.864 -10.533 -9.442 124 HD12 LEU 18 2HD1 LEU 18 0.824 -12.057 -10.328 125 HD13 LEU 18 3HD1 LEU 18 1.797 -10.713 -10.929 126 HD21 LEU 18 3HD2 LEU 18 2.799 -13.571 -10.295 127 HD22 LEU 18 1HD2 LEU 18 4.258 -13.115 -9.415 128 HD23 LEU 18 2HD2 LEU 18 3.836 -12.285 -10.914 129 H ASN 19 H ASN 19 6.542 -10.160 -9.469 130 HA ASN 19 HA ASN 19 7.715 -8.109 -7.850 131 HB2 ASN 19 2HB ASN 19 8.992 -7.524 -9.929 132 HB3 ASN 19 1HB ASN 19 9.135 -9.211 -9.452 133 HD21 ASN 19 1HD2 ASN 19 9.681 -9.892 -11.496 134 HD22 ASN 19 2HD2 ASN 19 8.547 -9.940 -12.796 135 H VAL 20 H VAL 20 7.865 -5.784 -8.629 136 HA VAL 20 HA VAL 20 5.276 -4.699 -8.584 137 HB VAL 20 HB VAL 20 7.767 -3.242 -9.498 138 HG11 VAL 20 1HG1 VAL 20 5.734 -1.996 -9.942 139 HG12 VAL 20 2HG1 VAL 20 6.611 -1.249 -8.607 140 HG13 VAL 20 3HG1 VAL 20 5.187 -2.237 -8.281 141 HG21 VAL 20 3HG2 VAL 20 8.100 -2.603 -7.162 142 HG22 VAL 20 1HG2 VAL 20 8.167 -4.356 -7.349 143 HG23 VAL 20 2HG2 VAL 20 6.723 -3.596 -6.682 144 H THR 21 H THR 21 7.427 -5.373 -11.286 145 HA THR 21 HA THR 21 6.140 -3.905 -13.297 146 HB THR 21 HB THR 21 7.496 -6.568 -13.762 147 HG1 THR 21 HG1 THR 21 9.228 -4.578 -14.046 148 HG21 THR 21 3HG2 THR 21 7.350 -4.043 -15.432 149 HG22 THR 21 1HG2 THR 21 6.414 -5.512 -15.715 150 HG23 THR 21 2HG2 THR 21 8.169 -5.540 -15.882 151 H GLU 22 H GLU 22 5.740 -7.395 -12.531 152 HA GLU 22 HA GLU 22 3.527 -7.811 -14.244 153 HB2 GLU 22 2HB GLU 22 4.595 -9.301 -11.856 154 HB3 GLU 22 1HB GLU 22 3.091 -9.798 -12.617 155 HG2 GLU 22 2HG GLU 22 5.646 -9.491 -14.173 156 HG3 GLU 22 1HG GLU 22 5.221 -10.985 -13.340 157 H LEU 23 H LEU 23 3.747 -6.694 -10.905 158 HA LEU 23 HA LEU 23 1.010 -6.778 -10.257 159 HB2 LEU 23 2HB LEU 23 2.988 -6.281 -8.726 160 HB3 LEU 23 1HB LEU 23 2.959 -4.645 -9.350 161 HG LEU 23 HG LEU 23 0.578 -5.897 -7.965 162 HD11 LEU 23 1HD1 LEU 23 2.454 -5.941 -6.420 163 HD12 LEU 23 2HD1 LEU 23 1.279 -4.716 -5.940 164 HD13 LEU 23 3HD1 LEU 23 2.778 -4.234 -6.736 165 HD21 LEU 23 3HD2 LEU 23 0.059 -3.935 -9.309 166 HD22 LEU 23 1HD2 LEU 23 1.332 -3.019 -8.503 167 HD23 LEU 23 2HD2 LEU 23 -0.081 -3.558 -7.594 168 H LEU 24 H LEU 24 2.953 -4.207 -11.795 169 HA LEU 24 HA LEU 24 0.912 -2.325 -12.217 170 HB2 LEU 24 2HB LEU 24 3.346 -2.904 -13.921 171 HB3 LEU 24 1HB LEU 24 2.350 -1.465 -14.056 172 HG LEU 24 HG LEU 24 3.973 -2.238 -11.621 173 HD11 LEU 24 1HD1 LEU 24 5.379 -1.611 -13.523 174 HD12 LEU 24 2HD1 LEU 24 5.442 -0.403 -12.241 175 HD13 LEU 24 3HD1 LEU 24 4.481 -0.103 -13.690 176 HD21 LEU 24 3HD2 LEU 24 3.431 0.004 -10.811 177 HD22 LEU 24 1HD2 LEU 24 1.974 -0.957 -11.044 178 HD23 LEU 24 2HD2 LEU 24 2.414 0.278 -12.224 179 H SER 25 H SER 25 1.937 -5.088 -14.181 180 HA SER 25 HA SER 25 0.161 -4.606 -16.359 181 HB2 SER 25 2HB SER 25 2.136 -6.020 -16.642 182 HB3 SER 25 1HB SER 25 1.509 -7.173 -15.468 183 HG SER 25 HG SER 25 1.178 -7.661 -17.783 184 H ALA 26 H ALA 26 -0.147 -6.347 -13.325 185 HA ALA 26 HA ALA 26 -2.603 -7.663 -13.925 186 HB1 ALA 26 3HB ALA 26 -1.441 -6.961 -11.228 187 HB2 ALA 26 1HB ALA 26 -1.103 -8.431 -12.143 188 HB3 ALA 26 2HB ALA 26 -2.731 -8.124 -11.539 189 H LEU 27 H LEU 27 -1.841 -4.679 -12.136 190 HA LEU 27 HA LEU 27 -4.614 -3.991 -11.724 191 HB2 LEU 27 2HB LEU 27 -2.825 -3.367 -10.134 192 HB3 LEU 27 1HB LEU 27 -2.105 -2.339 -11.359 193 HG LEU 27 HG LEU 27 -4.154 -0.928 -11.339 194 HD11 LEU 27 1HD1 LEU 27 -4.975 -2.677 -9.020 195 HD12 LEU 27 2HD1 LEU 27 -5.763 -2.597 -10.596 196 HD13 LEU 27 3HD1 LEU 27 -5.780 -1.194 -9.531 197 HD21 LEU 27 3HD2 LEU 27 -3.720 0.141 -9.186 198 HD22 LEU 27 1HD2 LEU 27 -2.217 -0.316 -9.988 199 HD23 LEU 27 2HD2 LEU 27 -2.831 -1.285 -8.649 200 H LYS 28 H LYS 28 -2.308 -3.504 -14.223 201 HA LYS 28 HA LYS 28 -2.345 -2.461 -16.228 202 HB2 LYS 28 2HB LYS 28 -5.298 -2.082 -15.665 203 HB3 LYS 28 1HB LYS 28 -4.520 -1.770 -17.211 204 HG2 LYS 28 2HG LYS 28 -3.891 -4.135 -17.375 205 HG3 LYS 28 1HG LYS 28 -4.669 -4.448 -15.822 206 HD2 LYS 28 2HD LYS 28 -6.829 -3.745 -16.768 207 HD3 LYS 28 1HD LYS 28 -6.047 -3.437 -18.320 208 HE2 LYS 28 2HE LYS 28 -7.193 -5.599 -18.312 209 HE3 LYS 28 1HE LYS 28 -5.453 -5.795 -18.508 210 HZ1 LYS 28 3HZ LYS 28 -5.257 -6.421 -16.219 211 HZ2 LYS 28 1HZ LYS 28 -6.444 -7.385 -16.936 212 HZ3 LYS 28 2HZ LYS 28 -6.889 -6.101 -15.930 213 H VAL 29 H VAL 29 -0.972 -0.908 -15.156 214 HA VAL 29 HA VAL 29 -2.179 1.701 -14.572 215 HB VAL 29 HB VAL 29 0.687 0.771 -14.234 216 HG11 VAL 29 1HG1 VAL 29 0.584 3.186 -14.524 217 HG12 VAL 29 2HG1 VAL 29 0.944 2.802 -12.841 218 HG13 VAL 29 3HG1 VAL 29 -0.683 3.301 -13.302 219 HG21 VAL 29 3HG2 VAL 29 -1.528 1.085 -12.205 220 HG22 VAL 29 1HG2 VAL 29 0.154 0.715 -11.826 221 HG23 VAL 29 2HG2 VAL 29 -0.815 -0.433 -12.750 222 H ALA 30 H ALA 30 -1.590 3.598 -15.695 223 HA ALA 30 HA ALA 30 -1.120 3.258 -18.478 224 HB1 ALA 30 3HB ALA 30 -2.547 5.033 -17.568 225 HB2 ALA 30 1HB ALA 30 -1.283 5.682 -18.611 226 HB3 ALA 30 2HB ALA 30 -1.129 5.805 -16.859 227 H GLN 31 H GLN 31 0.829 5.042 -16.049 228 HA GLN 31 HA GLN 31 3.144 4.888 -17.844 229 HB2 GLN 31 2HB GLN 31 2.672 6.496 -15.326 230 HB3 GLN 31 1HB GLN 31 4.170 6.521 -16.246 231 HG2 GLN 31 2HG GLN 31 2.980 7.409 -18.181 232 HG3 GLN 31 1HG GLN 31 1.464 7.349 -17.282 233 HE21 GLN 31 1HE2 GLN 31 1.106 8.849 -15.634 234 HE22 GLN 31 2HE2 GLN 31 2.058 10.281 -15.478 235 H ALA 32 H ALA 32 4.009 2.875 -17.611 236 HA ALA 32 HA ALA 32 4.573 1.769 -14.974 237 HB1 ALA 32 3HB ALA 32 5.269 0.735 -17.726 238 HB2 ALA 32 1HB ALA 32 3.855 0.283 -16.774 239 HB3 ALA 32 2HB ALA 32 5.470 -0.146 -16.211 240 H GLU 33 H GLU 33 6.263 3.433 -17.540 241 HA GLU 33 HA GLU 33 8.915 2.951 -16.513 242 HB2 GLU 33 2HB GLU 33 8.418 3.362 -18.924 243 HB3 GLU 33 1HB GLU 33 7.966 5.011 -18.528 244 HG2 GLU 33 2HG GLU 33 10.175 5.045 -19.416 245 HG3 GLU 33 1HG GLU 33 10.287 5.377 -17.687 246 H TYR 34 H TYR 34 6.414 5.253 -15.874 247 HA TYR 34 HA TYR 34 8.322 7.085 -14.548 248 HB2 TYR 34 2HB TYR 34 5.514 7.734 -15.474 249 HB3 TYR 34 1HB TYR 34 6.731 8.866 -14.900 250 HD1 TYR 34 HD2 TYR 34 5.625 6.810 -17.725 251 HD2 TYR 34 HD1 TYR 34 8.571 9.565 -16.354 252 HE1 TYR 34 HE2 TYR 34 6.374 7.150 -20.034 253 HE2 TYR 34 HE1 TYR 34 9.327 9.909 -18.671 254 HH TYR 34 HH TYR 34 9.271 8.775 -20.826 255 H VAL 35 H VAL 35 6.638 4.597 -13.574 256 HA VAL 35 HA VAL 35 4.808 5.739 -11.676 257 HB VAL 35 HB VAL 35 4.281 3.593 -12.657 258 HG11 VAL 35 1HG1 VAL 35 6.560 2.745 -12.969 259 HG12 VAL 35 2HG1 VAL 35 5.521 1.564 -12.173 260 HG13 VAL 35 3HG1 VAL 35 6.698 2.481 -11.231 261 HG21 VAL 35 3HG2 VAL 35 3.698 2.338 -10.639 262 HG22 VAL 35 1HG2 VAL 35 3.400 4.065 -10.424 263 HG23 VAL 35 2HG2 VAL 35 4.824 3.317 -9.699 264 H THR 36 H THR 36 6.049 7.104 -10.367 265 HA THR 36 HA THR 36 8.288 6.150 -8.850 266 HB THR 36 HB THR 36 6.638 8.659 -8.419 267 HG1 THR 36 HG1 THR 36 8.218 9.663 -9.678 268 HG21 THR 36 3HG2 THR 36 7.961 8.068 -6.444 269 HG22 THR 36 1HG2 THR 36 8.629 9.496 -7.236 270 HG23 THR 36 2HG2 THR 36 9.410 7.928 -7.440 271 H VAL 37 H VAL 37 7.685 4.395 -7.591 272 HA VAL 37 HA VAL 37 5.843 4.997 -5.352 273 HB VAL 37 HB VAL 37 5.406 2.581 -5.141 274 HG11 VAL 37 1HG1 VAL 37 4.025 2.311 -7.172 275 HG12 VAL 37 2HG1 VAL 37 4.846 3.697 -7.892 276 HG13 VAL 37 3HG1 VAL 37 3.859 3.911 -6.448 277 HG21 VAL 37 3HG2 VAL 37 6.106 1.030 -6.933 278 HG22 VAL 37 1HG2 VAL 37 7.481 1.702 -6.054 279 HG23 VAL 37 2HG2 VAL 37 7.070 2.321 -7.653 280 H GLU 38 H GLU 38 6.403 3.993 -3.276 281 HA GLU 38 HA GLU 38 9.241 3.266 -3.042 282 HB2 GLU 38 2HB GLU 38 9.431 4.651 -0.984 283 HB3 GLU 38 1HB GLU 38 9.227 5.572 -2.465 284 HG2 GLU 38 2HG GLU 38 6.788 5.781 -1.876 285 HG3 GLU 38 1HG GLU 38 7.189 5.080 -0.305 286 H LEU 39 H LEU 39 9.759 1.715 -1.690 287 HA LEU 39 HA LEU 39 7.669 -0.004 -0.696 288 HB2 LEU 39 2HB LEU 39 9.944 -0.567 -1.858 289 HB3 LEU 39 1HB LEU 39 10.632 -0.378 -0.262 290 HG LEU 39 HG LEU 39 10.233 -2.732 -0.863 291 HD11 LEU 39 1HD1 LEU 39 10.222 -2.104 1.488 292 HD12 LEU 39 2HD1 LEU 39 9.107 -3.431 1.168 293 HD13 LEU 39 3HD1 LEU 39 8.486 -1.797 1.405 294 HD21 LEU 39 3HD2 LEU 39 7.984 -3.613 -1.053 295 HD22 LEU 39 1HD2 LEU 39 8.275 -2.387 -2.286 296 HD23 LEU 39 2HD2 LEU 39 7.310 -1.993 -0.862 297 H ASN 40 H ASN 40 6.677 0.715 1.155 298 HA ASN 40 HA ASN 40 6.347 1.250 3.347 299 HB2 ASN 40 2HB ASN 40 9.056 -0.069 3.670 300 HB3 ASN 40 1HB ASN 40 8.018 0.393 5.012 301 HD21 ASN 40 1HD2 ASN 40 6.875 -0.952 1.972 302 HD22 ASN 40 2HD2 ASN 40 6.350 -2.451 2.622 303 H GLY 41 H GLY 41 7.716 3.213 1.581 304 HA2 GLY 41 2HA GLY 41 8.326 5.449 2.040 305 HA3 GLY 41 1HA GLY 41 8.812 4.972 3.658 306 H GLU 42 H GLU 42 9.783 3.534 0.581 307 HA GLU 42 HA GLU 42 12.446 4.705 0.698 308 HB2 GLU 42 2HB GLU 42 12.690 2.778 2.157 309 HB3 GLU 42 1HB GLU 42 11.958 1.727 0.955 310 HG2 GLU 42 2HG GLU 42 13.878 2.180 -0.546 311 HG3 GLU 42 1HG GLU 42 14.616 3.136 0.740 312 H VAL 43 H VAL 43 12.545 5.497 -1.343 313 HA VAL 43 HA VAL 43 10.968 4.537 -3.472 314 HB VAL 43 HB VAL 43 11.733 6.855 -3.346 315 HG11 VAL 43 1HG1 VAL 43 13.984 6.481 -2.487 316 HG12 VAL 43 2HG1 VAL 43 14.022 7.475 -3.943 317 HG13 VAL 43 3HG1 VAL 43 14.468 5.770 -4.028 318 HG21 VAL 43 3HG2 VAL 43 11.011 6.007 -5.511 319 HG22 VAL 43 1HG2 VAL 43 12.645 5.441 -5.861 320 HG23 VAL 43 2HG2 VAL 43 12.320 7.169 -5.719 321 H LEU 44 H LEU 44 11.350 3.241 -5.217 322 HA LEU 44 HA LEU 44 13.652 1.452 -5.039 323 HB2 LEU 44 2HB LEU 44 11.180 1.359 -6.785 324 HB3 LEU 44 1HB LEU 44 12.463 0.169 -6.838 325 HG LEU 44 HG LEU 44 10.691 -0.774 -5.573 326 HD11 LEU 44 1HD1 LEU 44 12.801 0.196 -3.650 327 HD12 LEU 44 2HD1 LEU 44 12.904 -1.228 -4.685 328 HD13 LEU 44 3HD1 LEU 44 11.709 -1.164 -3.391 329 HD21 LEU 44 3HD2 LEU 44 9.467 1.274 -5.042 330 HD22 LEU 44 1HD2 LEU 44 10.697 1.714 -3.855 331 HD23 LEU 44 2HD2 LEU 44 9.701 0.279 -3.605 332 H GLU 45 H GLU 45 15.019 0.961 -6.812 333 HA GLU 45 HA GLU 45 15.676 3.196 -8.503 334 HB2 GLU 45 2HB GLU 45 17.374 1.719 -7.449 335 HB3 GLU 45 1HB GLU 45 16.818 0.394 -8.457 336 HG2 GLU 45 2HG GLU 45 17.537 1.552 -10.453 337 HG3 GLU 45 1HG GLU 45 17.994 2.963 -9.498 338 H ARG 46 H ARG 46 15.991 2.971 -10.855 339 HA ARG 46 HA ARG 46 13.776 2.752 -12.320 340 HB2 ARG 46 2HB ARG 46 15.182 2.414 -14.322 341 HB3 ARG 46 1HB ARG 46 15.866 3.606 -13.222 342 HG2 ARG 46 2HG ARG 46 17.465 1.989 -12.397 343 HG3 ARG 46 1HG ARG 46 16.731 0.719 -13.374 344 HD2 ARG 46 2HD ARG 46 17.334 2.017 -15.412 345 HD3 ARG 46 1HD ARG 46 18.187 3.167 -14.377 346 HE ARG 46 HE ARG 46 19.169 0.646 -13.777 347 HH11 ARG 46 1HH1 ARG 46 19.128 2.767 -16.498 348 HH12 ARG 46 2HH1 ARG 46 20.606 2.129 -17.136 349 HH21 ARG 46 1HH2 ARG 46 21.027 -0.160 -14.617 350 HH22 ARG 46 2HH2 ARG 46 21.663 0.489 -16.089 351 H GLU 47 H GLU 47 15.936 -0.070 -11.838 352 HA GLU 47 HA GLU 47 13.931 -1.736 -13.219 353 HB2 GLU 47 2HB GLU 47 15.755 -3.330 -13.619 354 HB3 GLU 47 1HB GLU 47 16.120 -1.740 -14.271 355 HG2 GLU 47 2HG GLU 47 17.517 -1.288 -12.272 356 HG3 GLU 47 1HG GLU 47 17.216 -2.941 -11.736 357 H ALA 48 H ALA 48 14.730 -0.953 -10.148 358 HA ALA 48 HA ALA 48 14.901 -3.448 -8.819 359 HB1 ALA 48 3HB ALA 48 15.543 -1.348 -7.740 360 HB2 ALA 48 1HB ALA 48 14.332 -2.206 -6.787 361 HB3 ALA 48 2HB ALA 48 13.863 -0.814 -7.763 362 H PHE 49 H PHE 49 12.273 -1.817 -10.289 363 HA PHE 49 HA PHE 49 10.063 -2.771 -8.874 364 HB2 PHE 49 2HB PHE 49 10.343 -2.214 -11.841 365 HB3 PHE 49 1HB PHE 49 8.812 -2.423 -10.999 366 HD1 PHE 49 HD1 PHE 49 11.834 -0.268 -11.178 367 HD2 PHE 49 HD2 PHE 49 7.785 -0.612 -9.904 368 HE1 PHE 49 HE1 PHE 49 11.797 2.136 -10.660 369 HE2 PHE 49 HE2 PHE 49 7.745 1.790 -9.376 370 HZ PHE 49 HZ PHE 49 9.751 3.166 -9.756 371 H ASP 50 H ASP 50 11.918 -4.278 -11.491 372 HA ASP 50 HA ASP 50 10.239 -6.633 -11.574 373 HB2 ASP 50 2HB ASP 50 11.400 -5.685 -13.584 374 HB3 ASP 50 1HB ASP 50 12.941 -6.148 -12.870 375 H ALA 51 H ALA 51 13.264 -5.669 -10.084 376 HA ALA 51 HA ALA 51 14.071 -8.344 -9.364 377 HB1 ALA 51 3HB ALA 51 15.946 -7.265 -8.249 378 HB2 ALA 51 1HB ALA 51 15.183 -5.688 -8.466 379 HB3 ALA 51 2HB ALA 51 15.721 -6.608 -9.872 380 H THR 52 H THR 52 12.050 -5.956 -7.909 381 HA THR 52 HA THR 52 12.321 -7.136 -5.234 382 HB THR 52 HB THR 52 10.762 -4.707 -6.165 383 HG1 THR 52 HG1 THR 52 12.860 -4.124 -6.051 384 HG21 THR 52 3HG2 THR 52 9.605 -5.741 -4.272 385 HG22 THR 52 1HG2 THR 52 10.394 -4.245 -3.767 386 HG23 THR 52 2HG2 THR 52 11.116 -5.803 -3.364 387 H THR 53 H THR 53 10.986 -8.676 -4.548 388 HA THR 53 HA THR 53 8.592 -9.328 -6.105 389 HB THR 53 HB THR 53 9.852 -10.838 -3.795 390 HG1 THR 53 HG1 THR 53 10.645 -10.610 -6.331 391 HG21 THR 53 3HG2 THR 53 8.473 -12.723 -4.555 392 HG22 THR 53 1HG2 THR 53 7.737 -11.691 -5.782 393 HG23 THR 53 2HG2 THR 53 7.471 -11.356 -4.071 394 H VAL 54 H VAL 54 6.835 -8.157 -5.537 395 HA VAL 54 HA VAL 54 6.343 -7.220 -2.872 396 HB VAL 54 HB VAL 54 4.426 -7.331 -5.221 397 HG11 VAL 54 1HG1 VAL 54 3.219 -5.545 -4.041 398 HG12 VAL 54 2HG1 VAL 54 4.341 -5.680 -2.689 399 HG13 VAL 54 3HG1 VAL 54 3.277 -7.027 -3.088 400 HG21 VAL 54 3HG2 VAL 54 6.261 -5.102 -4.323 401 HG22 VAL 54 1HG2 VAL 54 5.054 -4.986 -5.605 402 HG23 VAL 54 2HG2 VAL 54 6.433 -6.069 -5.788 403 H LYS 55 H LYS 55 5.632 -8.457 -1.249 404 HA LYS 55 HA LYS 55 3.999 -10.839 -1.864 405 HB2 LYS 55 2HB LYS 55 5.828 -10.331 0.491 406 HB3 LYS 55 1HB LYS 55 4.890 -11.795 0.222 407 HG2 LYS 55 2HG LYS 55 6.163 -12.149 -1.890 408 HG3 LYS 55 1HG LYS 55 7.170 -10.766 -1.460 409 HD2 LYS 55 2HD LYS 55 7.869 -11.915 0.600 410 HD3 LYS 55 1HD LYS 55 6.855 -13.296 0.173 411 HE2 LYS 55 2HE LYS 55 8.201 -13.538 -1.921 412 HE3 LYS 55 1HE LYS 55 9.271 -12.275 -1.319 413 HZ1 LYS 55 3HZ LYS 55 8.780 -14.924 -0.070 414 HZ2 LYS 55 1HZ LYS 55 9.716 -13.696 0.627 415 HZ3 LYS 55 2HZ LYS 55 10.197 -14.408 -0.829 416 H ASP 56 H ASP 56 3.096 -11.441 0.693 417 HA ASP 56 HA ASP 56 0.904 -9.591 0.913 418 HB2 ASP 56 2HB ASP 56 0.605 -12.043 1.106 419 HB3 ASP 56 1HB ASP 56 1.551 -12.027 2.593 420 H GLY 57 H GLY 57 0.579 -8.012 2.399 421 HA2 GLY 57 2HA GLY 57 0.713 -6.880 4.426 422 HA3 GLY 57 1HA GLY 57 1.872 -8.072 4.992 423 H ASP 58 H ASP 58 2.038 -5.956 2.127 424 HA ASP 58 HA ASP 58 4.452 -4.711 3.293 425 HB2 ASP 58 2HB ASP 58 4.709 -6.186 1.213 426 HB3 ASP 58 1HB ASP 58 3.860 -4.917 0.336 427 H ALA 59 H ALA 59 4.647 -2.473 3.230 428 HA ALA 59 HA ALA 59 2.160 -1.030 2.645 429 HB1 ALA 59 3HB ALA 59 4.571 -0.098 4.209 430 HB2 ALA 59 1HB ALA 59 3.101 -0.787 4.901 431 HB3 ALA 59 2HB ALA 59 3.034 0.753 4.045 432 H VAL 60 H VAL 60 2.681 -1.239 0.300 433 HA VAL 60 HA VAL 60 4.809 0.422 -0.738 434 HB VAL 60 HB VAL 60 3.934 -0.146 -2.973 435 HG11 VAL 60 1HG1 VAL 60 4.236 -2.513 -1.124 436 HG12 VAL 60 2HG1 VAL 60 5.530 -1.645 -1.950 437 HG13 VAL 60 3HG1 VAL 60 4.356 -2.572 -2.883 438 HG21 VAL 60 3HG2 VAL 60 2.075 -1.710 -3.243 439 HG22 VAL 60 1HG2 VAL 60 1.542 -0.226 -2.453 440 HG23 VAL 60 2HG2 VAL 60 1.789 -1.691 -1.502 441 H GLU 61 H GLU 61 4.684 2.538 -1.147 442 HA GLU 61 HA GLU 61 2.085 3.864 -1.025 443 HB2 GLU 61 2HB GLU 61 4.917 4.910 -0.988 444 HB3 GLU 61 1HB GLU 61 3.513 5.970 -1.083 445 HG2 GLU 61 2HG GLU 61 2.703 5.221 1.035 446 HG3 GLU 61 1HG GLU 61 3.911 3.942 1.107 447 H PHE 62 H PHE 62 1.024 3.689 -2.871 448 HA PHE 62 HA PHE 62 2.370 4.245 -5.437 449 HB2 PHE 62 2HB PHE 62 0.952 2.104 -4.920 450 HB3 PHE 62 1HB PHE 62 -0.435 3.163 -5.116 451 HD1 PHE 62 HD1 PHE 62 -0.554 4.488 -7.370 452 HD2 PHE 62 HD2 PHE 62 1.857 1.033 -6.734 453 HE1 PHE 62 HE1 PHE 62 -0.475 4.094 -9.798 454 HE2 PHE 62 HE2 PHE 62 1.940 0.639 -9.154 455 HZ PHE 62 HZ PHE 62 0.774 2.171 -10.694 456 H LEU 63 H LEU 63 2.259 6.473 -5.827 457 HA LEU 63 HA LEU 63 -0.267 7.822 -5.115 458 HB2 LEU 63 2HB LEU 63 0.976 9.752 -4.283 459 HB3 LEU 63 1HB LEU 63 1.308 8.302 -3.360 460 HG LEU 63 HG LEU 63 3.200 9.243 -5.520 461 HD11 LEU 63 1HD1 LEU 63 2.910 11.114 -3.991 462 HD12 LEU 63 2HD1 LEU 63 4.499 10.380 -3.774 463 HD13 LEU 63 3HD1 LEU 63 3.211 10.057 -2.611 464 HD21 LEU 63 3HD2 LEU 63 4.850 7.998 -4.177 465 HD22 LEU 63 1HD2 LEU 63 3.534 6.959 -4.715 466 HD23 LEU 63 2HD2 LEU 63 3.576 7.532 -3.050 467 H TYR 64 H TYR 64 -1.100 9.211 -6.510 468 HA TYR 64 HA TYR 64 -1.393 10.673 -8.209 469 HB2 TYR 64 2HB TYR 64 1.633 10.821 -8.254 470 HB3 TYR 64 1HB TYR 64 0.562 11.885 -9.161 471 HD1 TYR 64 HD2 TYR 64 -1.318 13.046 -7.629 472 HD2 TYR 64 HD1 TYR 64 2.441 11.607 -6.233 473 HE1 TYR 64 HE2 TYR 64 -1.472 14.542 -5.684 474 HE2 TYR 64 HE1 TYR 64 2.296 13.099 -4.285 475 HH TYR 64 HH TYR 64 -0.570 14.677 -3.395 476 H PHE 65 H PHE 65 -0.594 7.654 -8.651 477 HA PHE 65 HA PHE 65 -0.578 7.897 -11.592 478 HB2 PHE 65 2HB PHE 65 1.032 5.918 -9.960 479 HB3 PHE 65 1HB PHE 65 0.848 5.850 -11.710 480 HD1 PHE 65 HD1 PHE 65 1.598 7.944 -13.035 481 HD2 PHE 65 HD2 PHE 65 2.773 7.136 -9.024 482 HE1 PHE 65 HE1 PHE 65 3.517 9.464 -13.292 483 HE2 PHE 65 HE2 PHE 65 4.691 8.651 -9.276 484 HZ PHE 65 HZ PHE 65 5.067 9.817 -11.409 485 H MET 66 H MET 66 -1.708 6.359 -12.745 486 HA MET 66 HA MET 66 -3.009 4.110 -11.558 487 HB2 MET 66 2HB MET 66 -5.338 4.887 -11.891 488 HB3 MET 66 1HB MET 66 -4.499 5.805 -10.650 489 HG2 MET 66 2HG MET 66 -4.138 7.632 -12.239 490 HG3 MET 66 1HG MET 66 -4.972 6.705 -13.489 491 HE1 MET 66 3HE MET 66 -6.616 8.775 -13.925 492 HE2 MET 66 1HE MET 66 -5.778 9.701 -12.678 493 HE3 MET 66 2HE MET 66 -7.537 9.566 -12.647 494 H GLY 67 H GLY 67 -5.044 3.627 -13.354 495 HA2 GLY 67 2HA GLY 67 -4.267 4.214 -16.059 496 HA3 GLY 67 1HA GLY 67 -3.763 2.605 -15.572 497 H GLY 68 H GLY 68 -5.547 1.201 -14.657 498 HA2 GLY 68 2HA GLY 68 -7.796 0.495 -14.592 499 HA3 GLY 68 1HA GLY 68 -8.241 1.863 -15.598 500 H GLY 69 H GLY 69 -6.545 1.542 -17.755 501 HA2 GLY 69 2HA GLY 69 -6.369 0.450 -19.767 502 HA3 GLY 69 1HA GLY 69 -6.278 -1.026 -18.824 503 H LYS 70 H LYS 70 -8.982 1.256 -19.205 504 HA LYS 70 HA LYS 70 -10.627 -1.013 -20.134 505 HB2 LYS 70 2HB LYS 70 -11.372 1.321 -18.359 506 HB3 LYS 70 1HB LYS 70 -12.543 0.190 -19.028 507 HG2 LYS 70 2HG LYS 70 -11.509 -1.649 -17.841 508 HG3 LYS 70 1HG LYS 70 -10.238 -0.584 -17.242 509 HD2 LYS 70 2HD LYS 70 -11.882 0.690 -15.968 510 HD3 LYS 70 1HD LYS 70 -13.183 -0.315 -16.612 511 HE2 LYS 70 2HE LYS 70 -12.522 -0.983 -14.329 512 HE3 LYS 70 1HE LYS 70 -12.267 -2.273 -15.503 513 HZ1 LYS 70 3HZ LYS 70 -9.925 -1.745 -15.552 514 HZ2 LYS 70 1HZ LYS 70 -10.405 -2.035 -13.960 515 HZ3 LYS 70 2HZ LYS 70 -10.150 -0.451 -14.484 516 H LEU 71 H LEU 71 -12.254 -0.645 -21.653 517 HA LEU 71 HA LEU 71 -12.436 1.905 -23.036 518 HB2 LEU 71 2HB LEU 71 -11.799 1.056 -25.200 519 HB3 LEU 71 1HB LEU 71 -10.477 0.781 -24.083 520 HG LEU 71 HG LEU 71 -12.458 -1.358 -24.910 521 HD11 LEU 71 1HD1 LEU 71 -9.672 -0.837 -25.950 522 HD12 LEU 71 2HD1 LEU 71 -11.176 -0.604 -26.843 523 HD13 LEU 71 3HD1 LEU 71 -10.685 -2.224 -26.353 524 HD21 LEU 71 3HD2 LEU 71 -9.798 -1.548 -23.480 525 HD22 LEU 71 1HD2 LEU 71 -10.800 -2.911 -23.986 526 HD23 LEU 71 2HD2 LEU 71 -11.389 -1.794 -22.755 527 H GLU 72 H GLU 72 -13.774 1.058 -25.323 528 HA GLU 72 HA GLU 72 -16.381 0.546 -24.529 529 HB2 GLU 72 2HB GLU 72 -15.094 -0.204 -27.170 530 HB3 GLU 72 1HB GLU 72 -16.823 -0.143 -26.878 531 HG2 GLU 72 2HG GLU 72 -16.343 1.846 -27.992 532 HG3 GLU 72 1HG GLU 72 -16.477 2.318 -26.299 533 H HIS 73 H HIS 73 -17.552 -1.274 -24.020 534 HA HIS 73 HA HIS 73 -16.260 -3.639 -23.280 535 HB2 HIS 73 2HB HIS 73 -18.548 -4.640 -23.126 536 HB3 HIS 73 1HB HIS 73 -18.387 -3.100 -22.295 537 HD1 HIS 73 HD1 HIS 73 -19.967 -1.262 -22.972 538 HD2 HIS 73 HD2 HIS 73 -20.091 -4.504 -25.563 539 HE1 HIS 73 HE1 HIS 73 -21.943 -0.853 -24.455 540 HE2 HIS 73 HE2 HIS 73 -22.113 -2.921 -25.875 541 H HIS 74 H HIS 74 -15.842 -5.580 -24.273 542 HA HIS 74 HA HIS 74 -15.373 -5.537 -27.015 543 HB2 HIS 74 2HB HIS 74 -15.398 -7.757 -24.993 544 HB3 HIS 74 1HB HIS 74 -15.143 -8.115 -26.700 545 HD1 HIS 74 HD1 HIS 74 -13.504 -6.491 -23.755 546 HD2 HIS 74 HD2 HIS 74 -12.691 -7.266 -27.752 547 HE1 HIS 74 HE1 HIS 74 -11.062 -6.006 -24.046 548 HE2 HIS 74 HE2 HIS 74 -10.565 -6.606 -26.442 549 H HIS 75 H HIS 75 -17.132 -4.999 -28.184 550 HA HIS 75 HA HIS 75 -19.537 -6.563 -28.292 551 HB2 HIS 75 2HB HIS 75 -19.979 -5.170 -30.337 552 HB3 HIS 75 1HB HIS 75 -19.618 -4.224 -28.898 553 HD1 HIS 75 HD1 HIS 75 -18.106 -5.246 -32.198 554 HD2 HIS 75 HD2 HIS 75 -17.335 -2.651 -29.046 555 HE1 HIS 75 HE1 HIS 75 -16.229 -3.782 -32.980 556 HE2 HIS 75 HE2 HIS 75 -15.679 -2.328 -31.003 557 H HIS 76 H HIS 76 -20.033 -7.019 -30.962 558 HA HIS 76 HA HIS 76 -18.661 -9.411 -31.527 559 HB2 HIS 76 2HB HIS 76 -20.294 -7.631 -33.360 560 HB3 HIS 76 1HB HIS 76 -19.724 -9.242 -33.794 561 HD1 HIS 76 HD1 HIS 76 -22.593 -7.591 -32.453 562 HD2 HIS 76 HD2 HIS 76 -20.746 -11.256 -31.796 563 HE1 HIS 76 HE1 HIS 76 -24.326 -9.026 -31.343 564 HE2 HIS 76 HE2 HIS 76 -23.137 -11.177 -30.810 565 H HIS 77 H HIS 77 -16.904 -9.910 -32.759 566 HA HIS 77 HA HIS 77 -15.421 -7.772 -34.112 567 HB2 HIS 77 2HB HIS 77 -14.643 -7.662 -31.807 568 HB3 HIS 77 1HB HIS 77 -14.363 -9.397 -31.780 569 HD1 HIS 77 HD1 HIS 77 -12.249 -10.273 -33.010 570 HD2 HIS 77 HD2 HIS 77 -12.607 -6.136 -32.948 571 HE1 HIS 77 HE1 HIS 77 -9.997 -9.396 -33.670 572 HE2 HIS 77 HE2 HIS 77 -10.178 -6.907 -33.385 573 H HIS 78 H HIS 78 -14.063 -8.524 -35.759 574 HA HIS 78 HA HIS 78 -14.490 -11.240 -36.621 575 HB2 HIS 78 2HB HIS 78 -12.941 -10.628 -38.525 576 HB3 HIS 78 1HB HIS 78 -14.401 -9.660 -38.382 577 HD1 HIS 78 HD1 HIS 78 -10.732 -9.382 -37.345 578 HD2 HIS 78 HD2 HIS 78 -13.912 -7.000 -38.559 579 HE1 HIS 78 HE1 HIS 78 -9.779 -7.078 -37.612 580 HE2 HIS 78 HE2 HIS 78 -11.742 -5.631 -38.214 Start of MODEL 4 1 H1 MET 1 1H MET 1 -2.966 -10.878 -3.143 2 H2 MET 1 2H MET 1 -4.067 -11.810 -2.259 3 H3 MET 1 3H MET 1 -2.658 -12.521 -2.866 4 HA MET 1 HA MET 1 -2.582 -12.066 -0.457 5 HB2 MET 1 2HB MET 1 -0.322 -11.054 -0.510 6 HB3 MET 1 1HB MET 1 -0.523 -12.319 -1.712 7 HG2 MET 1 2HG MET 1 -0.889 -10.576 -3.429 8 HG3 MET 1 1HG MET 1 -0.573 -9.348 -2.203 9 HE1 MET 1 3HE MET 1 1.020 -9.545 -4.977 10 HE2 MET 1 1HE MET 1 2.664 -9.247 -4.418 11 HE3 MET 1 2HE MET 1 1.327 -8.309 -3.755 12 H ASN 2 H ASN 2 -2.150 -10.439 1.191 13 HA ASN 2 HA ASN 2 -3.821 -8.083 0.849 14 HB2 ASN 2 2HB ASN 2 -2.343 -9.130 3.286 15 HB3 ASN 2 1HB ASN 2 -3.485 -7.788 3.285 16 HD21 ASN 2 1HD2 ASN 2 -3.127 -11.236 2.947 17 HD22 ASN 2 2HD2 ASN 2 -4.796 -11.621 3.179 18 H LEU 3 H LEU 3 -3.049 -6.080 0.425 19 HA LEU 3 HA LEU 3 -0.274 -5.432 1.178 20 HB2 LEU 3 2HB LEU 3 -1.574 -4.754 -1.463 21 HB3 LEU 3 1HB LEU 3 -0.032 -4.126 -0.926 22 HG LEU 3 HG LEU 3 -0.658 -7.025 -1.528 23 HD11 LEU 3 1HD1 LEU 3 -0.507 -5.625 -3.530 24 HD12 LEU 3 2HD1 LEU 3 0.854 -6.738 -3.416 25 HD13 LEU 3 3HD1 LEU 3 1.070 -5.036 -3.005 26 HD21 LEU 3 3HD2 LEU 3 1.948 -5.736 -0.709 27 HD22 LEU 3 1HD2 LEU 3 1.729 -7.420 -1.189 28 HD23 LEU 3 2HD2 LEU 3 0.971 -6.818 0.284 29 H THR 4 H THR 4 0.060 -2.936 0.844 30 HA THR 4 HA THR 4 -2.362 -1.421 1.543 31 HB THR 4 HB THR 4 0.195 -1.293 3.170 32 HG1 THR 4 HG1 THR 4 -0.783 -2.595 4.547 33 HG21 THR 4 3HG2 THR 4 -2.429 0.165 3.538 34 HG22 THR 4 1HG2 THR 4 -0.914 0.892 3.002 35 HG23 THR 4 2HG2 THR 4 -1.048 0.232 4.633 36 H VAL 5 H VAL 5 -2.445 0.550 0.593 37 HA VAL 5 HA VAL 5 0.029 1.581 -0.663 38 HB VAL 5 HB VAL 5 -1.436 0.749 -2.397 39 HG11 VAL 5 1HG1 VAL 5 -3.702 1.623 -2.752 40 HG12 VAL 5 2HG1 VAL 5 -3.574 2.561 -1.263 41 HG13 VAL 5 3HG1 VAL 5 -3.562 0.798 -1.197 42 HG21 VAL 5 3HG2 VAL 5 -0.193 2.776 -2.922 43 HG22 VAL 5 1HG2 VAL 5 -1.505 3.770 -2.290 44 HG23 VAL 5 2HG2 VAL 5 -1.756 2.792 -3.736 45 H ASN 6 H ASN 6 0.667 3.494 0.110 46 HA ASN 6 HA ASN 6 0.681 5.603 0.990 47 HB2 ASN 6 2HB ASN 6 -2.263 5.630 0.260 48 HB3 ASN 6 1HB ASN 6 -1.304 7.039 0.697 49 HD21 ASN 6 1HD2 ASN 6 1.042 6.297 -0.734 50 HD22 ASN 6 2HD2 ASN 6 0.680 6.475 -2.408 51 H GLY 7 H GLY 7 -0.304 3.133 2.577 52 HA2 GLY 7 2HA GLY 7 -0.710 2.894 4.888 53 HA3 GLY 7 1HA GLY 7 -1.246 4.566 4.954 54 H LYS 8 H LYS 8 -2.720 3.341 2.339 55 HA LYS 8 HA LYS 8 -5.232 2.827 3.757 56 HB2 LYS 8 2HB LYS 8 -4.665 3.415 0.833 57 HB3 LYS 8 1HB LYS 8 -6.270 3.239 1.537 58 HG2 LYS 8 2HG LYS 8 -6.148 5.253 2.669 59 HG3 LYS 8 1HG LYS 8 -4.387 5.264 2.675 60 HD2 LYS 8 2HD LYS 8 -5.183 6.985 1.188 61 HD3 LYS 8 1HD LYS 8 -4.415 5.719 0.237 62 HE2 LYS 8 2HE LYS 8 -7.389 5.768 0.667 63 HE3 LYS 8 1HE LYS 8 -6.633 6.720 -0.607 64 HZ1 LYS 8 3HZ LYS 8 -7.332 4.663 -1.525 65 HZ2 LYS 8 1HZ LYS 8 -6.571 3.770 -0.309 66 HZ3 LYS 8 2HZ LYS 8 -5.645 4.620 -1.434 67 HA PRO 9 HA PRO 9 -4.300 -1.565 3.163 68 HB2 PRO 9 2HB PRO 9 -7.131 -1.801 4.078 69 HB3 PRO 9 1HB PRO 9 -5.678 -2.602 4.689 70 HG2 PRO 9 2HG PRO 9 -6.786 -0.615 6.059 71 HG3 PRO 9 1HG PRO 9 -5.021 -0.746 5.934 72 HD2 PRO 9 2HD PRO 9 -6.896 1.080 4.465 73 HD3 PRO 9 1HD PRO 9 -5.297 1.428 5.156 74 H SER 10 H SER 10 -4.339 -2.549 1.241 75 HA SER 10 HA SER 10 -6.880 -2.762 -0.228 76 HB2 SER 10 2HB SER 10 -4.233 -1.929 -1.450 77 HB3 SER 10 1HB SER 10 -5.637 -2.428 -2.390 78 HG SER 10 HG SER 10 -5.478 -0.205 -0.618 79 H THR 11 H THR 11 -7.226 -4.905 0.096 80 HA THR 11 HA THR 11 -5.092 -6.847 -0.107 81 HB THR 11 HB THR 11 -8.080 -7.265 0.202 82 HG1 THR 11 HG1 THR 11 -6.813 -8.037 2.351 83 HG21 THR 11 3HG2 THR 11 -7.499 -9.568 0.861 84 HG22 THR 11 1HG2 THR 11 -5.813 -9.256 0.452 85 HG23 THR 11 2HG2 THR 11 -7.044 -9.239 -0.811 86 H VAL 12 H VAL 12 -4.312 -6.800 -2.220 87 HA VAL 12 HA VAL 12 -6.094 -7.338 -4.435 88 HB VAL 12 HB VAL 12 -3.982 -7.562 -5.785 89 HG11 VAL 12 1HG1 VAL 12 -3.425 -5.168 -5.699 90 HG12 VAL 12 2HG1 VAL 12 -4.275 -5.028 -4.159 91 HG13 VAL 12 3HG1 VAL 12 -5.169 -5.433 -5.626 92 HG21 VAL 12 3HG2 VAL 12 -1.862 -6.842 -4.757 93 HG22 VAL 12 1HG2 VAL 12 -2.476 -8.320 -4.014 94 HG23 VAL 12 2HG2 VAL 12 -2.654 -6.777 -3.182 95 H ASP 13 H ASP 13 -7.072 -9.272 -3.618 96 HA ASP 13 HA ASP 13 -5.413 -11.594 -3.155 97 HB2 ASP 13 2HB ASP 13 -7.781 -10.842 -2.102 98 HB3 ASP 13 1HB ASP 13 -8.358 -11.922 -3.370 99 H GLY 14 H GLY 14 -6.338 -13.755 -4.228 100 HA2 GLY 14 2HA GLY 14 -6.327 -14.977 -6.198 101 HA3 GLY 14 1HA GLY 14 -6.835 -13.526 -7.054 102 H ALA 15 H ALA 15 -4.017 -13.515 -5.034 103 HA ALA 15 HA ALA 15 -2.169 -13.802 -7.274 104 HB1 ALA 15 3HB ALA 15 -1.100 -11.638 -6.887 105 HB2 ALA 15 1HB ALA 15 -2.295 -11.254 -5.647 106 HB3 ALA 15 2HB ALA 15 -2.794 -11.425 -7.329 107 H GLU 16 H GLU 16 -0.473 -14.952 -6.608 108 HA GLU 16 HA GLU 16 -0.166 -15.707 -3.858 109 HB2 GLU 16 2HB GLU 16 1.739 -16.278 -6.138 110 HB3 GLU 16 1HB GLU 16 1.559 -17.191 -4.646 111 HG2 GLU 16 2HG GLU 16 -0.498 -16.969 -6.843 112 HG3 GLU 16 1HG GLU 16 0.567 -18.342 -6.555 113 H SER 17 H SER 17 2.305 -14.474 -6.081 114 HA SER 17 HA SER 17 3.146 -12.304 -4.431 115 HB2 SER 17 2HB SER 17 5.410 -13.157 -3.887 116 HB3 SER 17 1HB SER 17 4.161 -14.127 -3.109 117 HG SER 17 HG SER 17 5.353 -14.820 -5.590 118 H LEU 18 H LEU 18 4.317 -10.851 -5.695 119 HA LEU 18 HA LEU 18 5.367 -11.752 -8.255 120 HB2 LEU 18 2HB LEU 18 3.862 -10.072 -9.468 121 HB3 LEU 18 1HB LEU 18 3.171 -11.606 -8.989 122 HG LEU 18 HG LEU 18 2.146 -10.465 -7.005 123 HD11 LEU 18 1HD1 LEU 18 1.960 -8.012 -7.039 124 HD12 LEU 18 2HD1 LEU 18 3.125 -7.957 -8.364 125 HD13 LEU 18 3HD1 LEU 18 3.616 -8.561 -6.780 126 HD21 LEU 18 3HD2 LEU 18 0.853 -10.892 -9.034 127 HD22 LEU 18 1HD2 LEU 18 1.372 -9.343 -9.699 128 HD23 LEU 18 2HD2 LEU 18 0.353 -9.389 -8.260 129 H ASN 19 H ASN 19 6.333 -10.020 -9.550 130 HA ASN 19 HA ASN 19 8.001 -8.302 -8.057 131 HB2 ASN 19 2HB ASN 19 7.327 -7.982 -10.992 132 HB3 ASN 19 1HB ASN 19 8.798 -7.482 -10.170 133 HD21 ASN 19 1HD2 ASN 19 9.954 -8.649 -11.740 134 HD22 ASN 19 2HD2 ASN 19 10.105 -10.362 -11.634 135 H VAL 20 H VAL 20 8.082 -5.919 -8.109 136 HA VAL 20 HA VAL 20 5.670 -4.589 -7.611 137 HB VAL 20 HB VAL 20 8.220 -3.320 -8.653 138 HG11 VAL 20 1HG1 VAL 20 5.927 -2.127 -7.081 139 HG12 VAL 20 2HG1 VAL 20 6.282 -1.834 -8.783 140 HG13 VAL 20 3HG1 VAL 20 7.409 -1.287 -7.542 141 HG21 VAL 20 3HG2 VAL 20 8.645 -4.679 -6.657 142 HG22 VAL 20 1HG2 VAL 20 7.361 -3.829 -5.797 143 HG23 VAL 20 2HG2 VAL 20 8.810 -2.960 -6.302 144 H THR 21 H THR 21 7.585 -4.771 -10.610 145 HA THR 21 HA THR 21 5.931 -3.220 -12.260 146 HB THR 21 HB THR 21 7.631 -5.605 -13.047 147 HG1 THR 21 HG1 THR 21 9.200 -4.012 -13.489 148 HG21 THR 21 3HG2 THR 21 6.547 -3.352 -14.762 149 HG22 THR 21 1HG2 THR 21 5.989 -5.026 -14.799 150 HG23 THR 21 2HG2 THR 21 7.633 -4.633 -15.300 151 H GLU 22 H GLU 22 5.869 -6.750 -11.663 152 HA GLU 22 HA GLU 22 3.673 -7.363 -13.294 153 HB2 GLU 22 2HB GLU 22 5.355 -8.801 -11.680 154 HB3 GLU 22 1HB GLU 22 3.857 -8.893 -10.771 155 HG2 GLU 22 2HG GLU 22 4.213 -9.715 -13.652 156 HG3 GLU 22 1HG GLU 22 4.174 -10.806 -12.272 157 H LEU 23 H LEU 23 3.787 -6.214 -9.938 158 HA LEU 23 HA LEU 23 1.026 -6.270 -9.388 159 HB2 LEU 23 2HB LEU 23 2.778 -5.868 -7.687 160 HB3 LEU 23 1HB LEU 23 3.103 -4.301 -8.401 161 HG LEU 23 HG LEU 23 0.812 -3.571 -7.802 162 HD11 LEU 23 1HD1 LEU 23 -0.286 -5.757 -7.828 163 HD12 LEU 23 2HD1 LEU 23 -0.554 -4.921 -6.298 164 HD13 LEU 23 3HD1 LEU 23 0.622 -6.234 -6.392 165 HD21 LEU 23 3HD2 LEU 23 1.199 -3.364 -5.401 166 HD22 LEU 23 1HD2 LEU 23 2.690 -3.104 -6.303 167 HD23 LEU 23 2HD2 LEU 23 2.417 -4.637 -5.475 168 H LEU 24 H LEU 24 3.061 -3.718 -10.804 169 HA LEU 24 HA LEU 24 1.081 -1.813 -11.336 170 HB2 LEU 24 2HB LEU 24 3.527 -2.465 -12.998 171 HB3 LEU 24 1HB LEU 24 2.592 -0.987 -13.103 172 HG LEU 24 HG LEU 24 4.206 -1.880 -10.704 173 HD11 LEU 24 1HD1 LEU 24 5.607 -1.197 -12.579 174 HD12 LEU 24 2HD1 LEU 24 5.678 -0.017 -11.271 175 HD13 LEU 24 3HD1 LEU 24 4.713 0.319 -12.709 176 HD21 LEU 24 3HD2 LEU 24 3.718 0.347 -9.804 177 HD22 LEU 24 1HD2 LEU 24 2.244 -0.595 -10.033 178 HD23 LEU 24 2HD2 LEU 24 2.666 0.675 -11.182 179 H SER 25 H SER 25 2.027 -4.699 -13.104 180 HA SER 25 HA SER 25 0.399 -4.314 -15.400 181 HB2 SER 25 2HB SER 25 2.188 -5.907 -15.536 182 HB3 SER 25 1HB SER 25 1.577 -6.805 -14.147 183 HG SER 25 HG SER 25 0.550 -7.953 -15.555 184 H ALA 26 H ALA 26 -0.142 -5.998 -12.321 185 HA ALA 26 HA ALA 26 -2.568 -7.240 -12.859 186 HB1 ALA 26 3HB ALA 26 -1.669 -6.059 -10.228 187 HB2 ALA 26 1HB ALA 26 -1.232 -7.653 -10.843 188 HB3 ALA 26 2HB ALA 26 -2.911 -7.294 -10.444 189 H LEU 27 H LEU 27 -2.040 -3.956 -11.558 190 HA LEU 27 HA LEU 27 -4.902 -3.368 -11.804 191 HB2 LEU 27 2HB LEU 27 -2.623 -1.742 -10.659 192 HB3 LEU 27 1HB LEU 27 -4.274 -1.167 -10.762 193 HG LEU 27 HG LEU 27 -3.903 -1.880 -8.523 194 HD11 LEU 27 1HD1 LEU 27 -5.571 -3.651 -8.239 195 HD12 LEU 27 2HD1 LEU 27 -5.490 -4.008 -9.964 196 HD13 LEU 27 3HD1 LEU 27 -6.097 -2.444 -9.414 197 HD21 LEU 27 3HD2 LEU 27 -3.140 -4.108 -7.906 198 HD22 LEU 27 1HD2 LEU 27 -1.941 -3.299 -8.916 199 HD23 LEU 27 2HD2 LEU 27 -2.981 -4.544 -9.608 200 H LYS 28 H LYS 28 -2.255 -3.235 -13.779 201 HA LYS 28 HA LYS 28 -1.607 -2.133 -15.639 202 HB2 LYS 28 2HB LYS 28 -3.764 -2.884 -16.491 203 HB3 LYS 28 1HB LYS 28 -4.552 -1.460 -15.823 204 HG2 LYS 28 2HG LYS 28 -3.393 -0.017 -17.355 205 HG3 LYS 28 1HG LYS 28 -2.396 -1.351 -17.932 206 HD2 LYS 28 2HD LYS 28 -4.109 -0.902 -19.563 207 HD3 LYS 28 1HD LYS 28 -4.453 -2.452 -18.799 208 HE2 LYS 28 2HE LYS 28 -5.749 0.146 -17.974 209 HE3 LYS 28 1HE LYS 28 -6.444 -0.953 -19.162 210 HZ1 LYS 28 3HZ LYS 28 -6.352 -2.688 -17.370 211 HZ2 LYS 28 1HZ LYS 28 -7.454 -1.432 -17.108 212 HZ3 LYS 28 2HZ LYS 28 -5.985 -1.449 -16.280 213 H VAL 29 H VAL 29 -0.281 -0.641 -14.660 214 HA VAL 29 HA VAL 29 -1.216 1.889 -13.658 215 HB VAL 29 HB VAL 29 0.827 0.694 -12.822 216 HG11 VAL 29 1HG1 VAL 29 1.711 -0.020 -14.996 217 HG12 VAL 29 2HG1 VAL 29 2.912 0.861 -14.055 218 HG13 VAL 29 3HG1 VAL 29 2.085 1.659 -15.391 219 HG21 VAL 29 3HG2 VAL 29 1.307 3.516 -13.799 220 HG22 VAL 29 1HG2 VAL 29 2.188 2.707 -12.503 221 HG23 VAL 29 2HG2 VAL 29 0.472 3.065 -12.314 222 H ALA 30 H ALA 30 -0.498 4.006 -14.512 223 HA ALA 30 HA ALA 30 -0.846 4.237 -17.355 224 HB1 ALA 30 3HB ALA 30 -0.642 6.637 -16.993 225 HB2 ALA 30 1HB ALA 30 -0.067 6.359 -15.349 226 HB3 ALA 30 2HB ALA 30 -1.716 5.924 -15.792 227 H GLN 31 H GLN 31 1.883 4.817 -15.146 228 HA GLN 31 HA GLN 31 3.720 4.798 -17.464 229 HB2 GLN 31 2HB GLN 31 3.912 6.475 -14.944 230 HB3 GLN 31 1HB GLN 31 5.129 6.418 -16.215 231 HG2 GLN 31 2HG GLN 31 3.691 7.464 -17.778 232 HG3 GLN 31 1HG GLN 31 2.282 7.242 -16.743 233 HE21 GLN 31 1HE2 GLN 31 1.981 8.609 -14.996 234 HE22 GLN 31 2HE2 GLN 31 2.838 10.097 -14.827 235 H ALA 32 H ALA 32 5.691 3.701 -17.212 236 HA ALA 32 HA ALA 32 5.758 1.862 -14.884 237 HB1 ALA 32 3HB ALA 32 6.828 1.376 -17.666 238 HB2 ALA 32 1HB ALA 32 5.303 0.756 -17.027 239 HB3 ALA 32 2HB ALA 32 6.834 0.226 -16.327 240 H GLU 33 H GLU 33 7.802 3.715 -17.073 241 HA GLU 33 HA GLU 33 10.189 3.335 -15.502 242 HB2 GLU 33 2HB GLU 33 11.246 4.883 -17.065 243 HB3 GLU 33 1HB GLU 33 10.326 3.668 -17.939 244 HG2 GLU 33 2HG GLU 33 9.317 6.452 -17.370 245 HG3 GLU 33 1HG GLU 33 10.160 5.989 -18.845 246 H TYR 34 H TYR 34 7.627 5.717 -15.717 247 HA TYR 34 HA TYR 34 9.057 7.615 -14.017 248 HB2 TYR 34 2HB TYR 34 6.266 7.778 -15.175 249 HB3 TYR 34 1HB TYR 34 7.108 9.076 -14.338 250 HD1 TYR 34 HD2 TYR 34 9.506 9.652 -15.401 251 HD2 TYR 34 HD1 TYR 34 6.277 7.813 -17.484 252 HE1 TYR 34 HE2 TYR 34 10.454 10.409 -17.541 253 HE2 TYR 34 HE1 TYR 34 7.217 8.563 -19.620 254 HH TYR 34 HH TYR 34 10.386 9.842 -19.895 255 H VAL 35 H VAL 35 7.189 4.896 -13.429 256 HA VAL 35 HA VAL 35 5.350 5.765 -11.508 257 HB VAL 35 HB VAL 35 5.171 3.557 -12.522 258 HG11 VAL 35 1HG1 VAL 35 7.565 2.993 -12.603 259 HG12 VAL 35 2HG1 VAL 35 6.607 1.701 -11.881 260 HG13 VAL 35 3HG1 VAL 35 7.564 2.769 -10.853 261 HG21 VAL 35 3HG2 VAL 35 5.478 3.416 -9.522 262 HG22 VAL 35 1HG2 VAL 35 4.571 2.280 -10.520 263 HG23 VAL 35 2HG2 VAL 35 4.046 3.959 -10.396 264 H THR 36 H THR 36 6.177 7.189 -10.043 265 HA THR 36 HA THR 36 8.433 6.484 -8.367 266 HB THR 36 HB THR 36 6.556 8.860 -8.160 267 HG1 THR 36 HG1 THR 36 7.881 8.692 -10.121 268 HG21 THR 36 3HG2 THR 36 8.350 9.858 -6.789 269 HG22 THR 36 1HG2 THR 36 9.252 8.346 -6.877 270 HG23 THR 36 2HG2 THR 36 7.700 8.400 -6.040 271 H VAL 37 H VAL 37 7.787 4.662 -7.245 272 HA VAL 37 HA VAL 37 5.748 5.123 -5.155 273 HB VAL 37 HB VAL 37 5.294 2.688 -5.144 274 HG11 VAL 37 1HG1 VAL 37 4.844 4.030 -7.810 275 HG12 VAL 37 2HG1 VAL 37 3.827 4.180 -6.377 276 HG13 VAL 37 3HG1 VAL 37 3.963 2.626 -7.201 277 HG21 VAL 37 3HG2 VAL 37 6.042 1.284 -7.008 278 HG22 VAL 37 1HG2 VAL 37 7.415 1.902 -6.087 279 HG23 VAL 37 2HG2 VAL 37 7.000 2.622 -7.644 280 H GLU 38 H GLU 38 6.270 4.530 -3.078 281 HA GLU 38 HA GLU 38 8.999 3.489 -2.688 282 HB2 GLU 38 2HB GLU 38 9.060 4.792 -0.562 283 HB3 GLU 38 1HB GLU 38 9.004 5.770 -2.016 284 HG2 GLU 38 2HG GLU 38 6.528 6.018 -1.623 285 HG3 GLU 38 1HG GLU 38 6.786 5.267 -0.048 286 H LEU 39 H LEU 39 9.183 1.630 -1.720 287 HA LEU 39 HA LEU 39 6.869 0.283 -0.618 288 HB2 LEU 39 2HB LEU 39 8.749 -0.688 -2.117 289 HB3 LEU 39 1HB LEU 39 9.706 -0.750 -0.657 290 HG LEU 39 HG LEU 39 8.695 -2.925 -1.275 291 HD11 LEU 39 1HD1 LEU 39 7.853 -3.531 0.919 292 HD12 LEU 39 2HD1 LEU 39 7.650 -1.827 1.333 293 HD13 LEU 39 3HD1 LEU 39 9.264 -2.482 1.056 294 HD21 LEU 39 3HD2 LEU 39 6.632 -2.111 -2.273 295 HD22 LEU 39 1HD2 LEU 39 6.066 -1.559 -0.696 296 HD23 LEU 39 2HD2 LEU 39 6.295 -3.282 -0.999 297 H ASN 40 H ASN 40 6.283 0.825 1.409 298 HA ASN 40 HA ASN 40 6.332 1.197 3.656 299 HB2 ASN 40 2HB ASN 40 8.963 -0.266 3.394 300 HB3 ASN 40 1HB ASN 40 8.364 0.305 4.945 301 HD21 ASN 40 1HD2 ASN 40 6.283 -0.928 2.406 302 HD22 ASN 40 2HD2 ASN 40 5.835 -2.367 3.243 303 H GLY 41 H GLY 41 7.063 3.317 1.969 304 HA2 GLY 41 2HA GLY 41 7.808 5.486 2.227 305 HA3 GLY 41 1HA GLY 41 8.396 5.049 3.821 306 H GLU 42 H GLU 42 9.427 3.349 0.929 307 HA GLU 42 HA GLU 42 11.907 4.876 0.735 308 HB2 GLU 42 2HB GLU 42 12.316 3.173 2.489 309 HB3 GLU 42 1HB GLU 42 11.901 1.907 1.343 310 HG2 GLU 42 2HG GLU 42 13.825 2.406 0.001 311 HG3 GLU 42 1HG GLU 42 14.190 3.833 0.974 312 H VAL 43 H VAL 43 12.214 5.233 -1.377 313 HA VAL 43 HA VAL 43 10.655 3.821 -3.338 314 HB VAL 43 HB VAL 43 10.984 6.260 -3.441 315 HG11 VAL 43 1HG1 VAL 43 13.299 6.375 -2.674 316 HG12 VAL 43 2HG1 VAL 43 13.102 7.212 -4.214 317 HG13 VAL 43 3HG1 VAL 43 13.843 5.612 -4.168 318 HG21 VAL 43 3HG2 VAL 43 10.350 5.077 -5.473 319 HG22 VAL 43 1HG2 VAL 43 12.049 4.793 -5.859 320 HG23 VAL 43 2HG2 VAL 43 11.408 6.437 -5.855 321 H LEU 44 H LEU 44 11.341 2.620 -5.106 322 HA LEU 44 HA LEU 44 14.080 1.522 -4.970 323 HB2 LEU 44 2HB LEU 44 11.576 0.390 -6.240 324 HB3 LEU 44 1HB LEU 44 13.168 -0.325 -6.407 325 HG LEU 44 HG LEU 44 11.982 -1.579 -4.758 326 HD11 LEU 44 1HD1 LEU 44 13.920 0.253 -3.350 327 HD12 LEU 44 2HD1 LEU 44 14.339 -1.188 -4.276 328 HD13 LEU 44 3HD1 LEU 44 13.397 -1.337 -2.793 329 HD21 LEU 44 3HD2 LEU 44 10.259 0.043 -4.191 330 HD22 LEU 44 1HD2 LEU 44 11.444 1.024 -3.328 331 HD23 LEU 44 2HD2 LEU 44 11.029 -0.586 -2.735 332 H GLU 45 H GLU 45 15.212 1.110 -7.011 333 HA GLU 45 HA GLU 45 14.944 3.327 -8.818 334 HB2 GLU 45 2HB GLU 45 17.142 2.363 -8.102 335 HB3 GLU 45 1HB GLU 45 16.797 0.951 -9.090 336 HG2 GLU 45 2HG GLU 45 17.077 2.100 -11.075 337 HG3 GLU 45 1HG GLU 45 16.713 3.662 -10.347 338 H ARG 46 H ARG 46 14.946 3.011 -11.237 339 HA ARG 46 HA ARG 46 12.402 2.226 -11.913 340 HB2 ARG 46 2HB ARG 46 14.820 2.778 -13.601 341 HB3 ARG 46 1HB ARG 46 13.307 2.293 -14.348 342 HG2 ARG 46 2HG ARG 46 13.375 4.648 -14.439 343 HG3 ARG 46 1HG ARG 46 12.216 4.240 -13.179 344 HD2 ARG 46 2HD ARG 46 15.094 4.925 -12.593 345 HD3 ARG 46 1HD ARG 46 13.830 6.145 -12.695 346 HE ARG 46 HE ARG 46 12.993 4.200 -10.876 347 HH11 ARG 46 1HH1 ARG 46 15.443 6.611 -11.175 348 HH12 ARG 46 2HH1 ARG 46 15.576 6.846 -9.465 349 HH21 ARG 46 1HH2 ARG 46 13.187 4.509 -8.663 350 HH22 ARG 46 2HH2 ARG 46 14.337 5.656 -8.068 351 H GLU 47 H GLU 47 15.365 0.308 -12.645 352 HA GLU 47 HA GLU 47 13.741 -1.818 -13.757 353 HB2 GLU 47 2HB GLU 47 15.769 -2.978 -14.229 354 HB3 GLU 47 1HB GLU 47 16.036 -1.283 -14.600 355 HG2 GLU 47 2HG GLU 47 17.019 -2.778 -12.175 356 HG3 GLU 47 1HG GLU 47 17.984 -2.199 -13.531 357 H ALA 48 H ALA 48 15.021 -1.042 -10.638 358 HA ALA 48 HA ALA 48 15.157 -3.558 -9.426 359 HB1 ALA 48 3HB ALA 48 15.986 -1.480 -8.399 360 HB2 ALA 48 1HB ALA 48 14.945 -2.393 -7.307 361 HB3 ALA 48 2HB ALA 48 14.323 -0.962 -8.127 362 H PHE 49 H PHE 49 12.355 -1.763 -10.409 363 HA PHE 49 HA PHE 49 10.424 -2.856 -8.686 364 HB2 PHE 49 2HB PHE 49 10.125 -1.951 -11.559 365 HB3 PHE 49 1HB PHE 49 8.784 -2.285 -10.469 366 HD1 PHE 49 HD1 PHE 49 9.507 -1.056 -7.982 367 HD2 PHE 49 HD2 PHE 49 10.230 0.329 -11.946 368 HE1 PHE 49 HE1 PHE 49 9.578 1.261 -7.159 369 HE2 PHE 49 HE2 PHE 49 10.304 2.646 -11.125 370 HZ PHE 49 HZ PHE 49 9.982 3.114 -8.730 371 H ASP 50 H ASP 50 11.922 -4.206 -11.580 372 HA ASP 50 HA ASP 50 10.240 -6.577 -11.505 373 HB2 ASP 50 2HB ASP 50 12.612 -5.779 -13.189 374 HB3 ASP 50 1HB ASP 50 11.899 -7.388 -13.277 375 H ALA 51 H ALA 51 13.211 -5.528 -10.116 376 HA ALA 51 HA ALA 51 14.118 -8.232 -9.494 377 HB1 ALA 51 3HB ALA 51 15.772 -6.572 -10.158 378 HB2 ALA 51 1HB ALA 51 16.067 -7.113 -8.507 379 HB3 ALA 51 2HB ALA 51 15.314 -5.547 -8.800 380 H THR 52 H THR 52 11.809 -6.317 -8.189 381 HA THR 52 HA THR 52 12.369 -7.179 -5.410 382 HB THR 52 HB THR 52 10.703 -4.821 -6.336 383 HG1 THR 52 HG1 THR 52 12.933 -4.396 -6.437 384 HG21 THR 52 3HG2 THR 52 11.321 -5.784 -3.534 385 HG22 THR 52 1HG2 THR 52 9.743 -5.820 -4.322 386 HG23 THR 52 2HG2 THR 52 10.503 -4.276 -3.939 387 H THR 53 H THR 53 11.155 -8.862 -4.803 388 HA THR 53 HA THR 53 8.610 -9.423 -6.118 389 HB THR 53 HB THR 53 10.129 -11.026 -4.039 390 HG1 THR 53 HG1 THR 53 11.163 -11.099 -6.039 391 HG21 THR 53 3HG2 THR 53 7.722 -11.467 -3.879 392 HG22 THR 53 1HG2 THR 53 8.566 -12.854 -4.567 393 HG23 THR 53 2HG2 THR 53 7.653 -11.769 -5.614 394 H VAL 54 H VAL 54 6.902 -8.345 -5.370 395 HA VAL 54 HA VAL 54 6.558 -7.539 -2.637 396 HB VAL 54 HB VAL 54 4.526 -7.545 -4.893 397 HG11 VAL 54 1HG1 VAL 54 3.378 -5.823 -3.554 398 HG12 VAL 54 2HG1 VAL 54 4.570 -6.031 -2.272 399 HG13 VAL 54 3HG1 VAL 54 3.485 -7.358 -2.691 400 HG21 VAL 54 3HG2 VAL 54 6.513 -6.236 -5.484 401 HG22 VAL 54 1HG2 VAL 54 6.368 -5.325 -3.979 402 HG23 VAL 54 2HG2 VAL 54 5.118 -5.192 -5.216 403 H LYS 55 H LYS 55 5.260 -8.464 -1.090 404 HA LYS 55 HA LYS 55 4.005 -11.057 -1.721 405 HB2 LYS 55 2HB LYS 55 5.097 -12.034 0.280 406 HB3 LYS 55 1HB LYS 55 6.257 -11.541 -0.952 407 HG2 LYS 55 2HG LYS 55 6.422 -9.344 0.385 408 HG3 LYS 55 1HG LYS 55 5.664 -10.255 1.694 409 HD2 LYS 55 2HD LYS 55 7.993 -10.412 2.063 410 HD3 LYS 55 1HD LYS 55 7.521 -11.969 1.375 411 HE2 LYS 55 2HE LYS 55 9.581 -11.159 0.345 412 HE3 LYS 55 1HE LYS 55 8.274 -11.213 -0.837 413 HZ1 LYS 55 3HZ LYS 55 9.356 -8.810 0.537 414 HZ2 LYS 55 1HZ LYS 55 7.950 -8.794 -0.406 415 HZ3 LYS 55 2HZ LYS 55 9.436 -9.173 -1.113 416 H ASP 56 H ASP 56 2.935 -11.917 0.423 417 HA ASP 56 HA ASP 56 0.775 -10.232 0.964 418 HB2 ASP 56 2HB ASP 56 0.746 -12.706 1.135 419 HB3 ASP 56 1HB ASP 56 1.727 -12.602 2.593 420 H GLY 57 H GLY 57 1.076 -8.276 1.911 421 HA2 GLY 57 2HA GLY 57 0.796 -7.352 4.186 422 HA3 GLY 57 1HA GLY 57 2.210 -8.284 4.651 423 H ASP 58 H ASP 58 2.588 -6.962 1.558 424 HA ASP 58 HA ASP 58 4.557 -5.091 2.608 425 HB2 ASP 58 2HB ASP 58 3.955 -6.143 -0.155 426 HB3 ASP 58 1HB ASP 58 5.093 -4.831 0.112 427 H ALA 59 H ALA 59 4.718 -2.883 1.884 428 HA ALA 59 HA ALA 59 2.090 -1.675 1.282 429 HB1 ALA 59 3HB ALA 59 2.669 0.186 2.751 430 HB2 ALA 59 1HB ALA 59 4.210 -0.583 3.134 431 HB3 ALA 59 2HB ALA 59 2.698 -1.344 3.630 432 H VAL 60 H VAL 60 2.202 -0.970 -0.753 433 HA VAL 60 HA VAL 60 4.619 0.429 -1.700 434 HB VAL 60 HB VAL 60 4.034 -1.374 -3.166 435 HG11 VAL 60 1HG1 VAL 60 1.247 -0.210 -3.323 436 HG12 VAL 60 2HG1 VAL 60 1.708 -1.700 -2.500 437 HG13 VAL 60 3HG1 VAL 60 1.847 -1.585 -4.253 438 HG21 VAL 60 3HG2 VAL 60 3.108 1.230 -4.401 439 HG22 VAL 60 1HG2 VAL 60 3.644 -0.201 -5.281 440 HG23 VAL 60 2HG2 VAL 60 4.778 0.683 -4.265 441 H GLU 61 H GLU 61 4.515 2.584 -1.458 442 HA GLU 61 HA GLU 61 1.882 3.875 -1.415 443 HB2 GLU 61 2HB GLU 61 4.570 4.909 -0.491 444 HB3 GLU 61 1HB GLU 61 3.033 5.752 -0.315 445 HG2 GLU 61 2HG GLU 61 2.205 3.842 1.049 446 HG3 GLU 61 1HG GLU 61 3.820 3.139 0.969 447 H PHE 62 H PHE 62 1.209 4.597 -3.292 448 HA PHE 62 HA PHE 62 2.928 5.691 -5.338 449 HB2 PHE 62 2HB PHE 62 -0.031 5.295 -5.012 450 HB3 PHE 62 1HB PHE 62 0.560 6.376 -6.264 451 HD1 PHE 62 HD2 PHE 62 0.741 2.873 -5.047 452 HD2 PHE 62 HD1 PHE 62 1.339 5.556 -8.304 453 HE1 PHE 62 HE2 PHE 62 1.074 0.960 -6.560 454 HE2 PHE 62 HE1 PHE 62 1.666 3.644 -9.823 455 HZ PHE 62 HZ PHE 62 1.538 1.347 -8.954 456 H LEU 63 H LEU 63 3.489 7.814 -5.622 457 HA LEU 63 HA LEU 63 1.779 9.877 -4.450 458 HB2 LEU 63 2HB LEU 63 3.665 11.095 -3.468 459 HB3 LEU 63 1HB LEU 63 3.426 9.530 -2.722 460 HG LEU 63 HG LEU 63 5.544 10.033 -4.821 461 HD11 LEU 63 1HD1 LEU 63 5.802 10.120 -1.813 462 HD12 LEU 63 2HD1 LEU 63 5.950 11.495 -2.911 463 HD13 LEU 63 3HD1 LEU 63 7.136 10.190 -2.966 464 HD21 LEU 63 3HD2 LEU 63 4.908 7.689 -4.506 465 HD22 LEU 63 1HD2 LEU 63 5.194 7.837 -2.772 466 HD23 LEU 63 2HD2 LEU 63 6.536 7.991 -3.910 467 H TYR 64 H TYR 64 2.524 12.133 -5.127 468 HA TYR 64 HA TYR 64 2.954 13.686 -6.718 469 HB2 TYR 64 2HB TYR 64 4.522 11.490 -8.086 470 HB3 TYR 64 1HB TYR 64 4.444 13.152 -8.655 471 HD1 TYR 64 HD2 TYR 64 5.036 14.947 -6.705 472 HD2 TYR 64 HD1 TYR 64 6.395 10.912 -6.849 473 HE1 TYR 64 HE2 TYR 64 6.940 15.541 -5.264 474 HE2 TYR 64 HE1 TYR 64 8.297 11.495 -5.408 475 HH TYR 64 HH TYR 64 8.533 14.528 -3.790 476 H PHE 65 H PHE 65 1.846 10.547 -7.898 477 HA PHE 65 HA PHE 65 0.708 11.528 -10.323 478 HB2 PHE 65 2HB PHE 65 0.137 8.968 -8.810 479 HB3 PHE 65 1HB PHE 65 -0.395 9.313 -10.452 480 HD1 PHE 65 HD1 PHE 65 1.432 9.809 -12.197 481 HD2 PHE 65 HD2 PHE 65 2.209 7.964 -8.434 482 HE1 PHE 65 HE1 PHE 65 3.548 8.912 -13.073 483 HE2 PHE 65 HE2 PHE 65 4.325 7.067 -9.310 484 HZ PHE 65 HZ PHE 65 4.995 7.541 -11.631 485 H MET 66 H MET 66 -0.353 11.780 -7.109 486 HA MET 66 HA MET 66 -2.954 12.744 -8.019 487 HB2 MET 66 2HB MET 66 -4.116 11.533 -6.151 488 HB3 MET 66 1HB MET 66 -3.521 10.497 -7.440 489 HG2 MET 66 2HG MET 66 -3.113 9.456 -5.317 490 HG3 MET 66 1HG MET 66 -1.575 9.917 -6.042 491 HE1 MET 66 3HE MET 66 -2.028 9.114 -2.942 492 HE2 MET 66 1HE MET 66 -1.004 10.314 -2.151 493 HE3 MET 66 2HE MET 66 -0.446 9.510 -3.618 494 H GLY 67 H GLY 67 -4.190 13.507 -5.825 495 HA2 GLY 67 2HA GLY 67 -3.598 14.627 -3.644 496 HA3 GLY 67 1HA GLY 67 -2.278 15.372 -4.536 497 H GLY 68 H GLY 68 -5.795 15.220 -4.212 498 HA2 GLY 68 2HA GLY 68 -6.030 17.588 -5.982 499 HA3 GLY 68 1HA GLY 68 -7.285 16.385 -5.754 500 H GLY 69 H GLY 69 -6.036 16.955 -2.735 501 HA2 GLY 69 2HA GLY 69 -6.775 18.145 -0.910 502 HA3 GLY 69 1HA GLY 69 -7.063 19.474 -2.020 503 H LYS 70 H LYS 70 -8.734 16.432 -2.429 504 HA LYS 70 HA LYS 70 -11.274 17.731 -1.709 505 HB2 LYS 70 2HB LYS 70 -11.076 16.678 -3.950 506 HB3 LYS 70 1HB LYS 70 -10.785 15.126 -3.179 507 HG2 LYS 70 2HG LYS 70 -13.044 15.342 -2.093 508 HG3 LYS 70 1HG LYS 70 -13.317 16.762 -3.106 509 HD2 LYS 70 2HD LYS 70 -12.809 13.933 -4.051 510 HD3 LYS 70 1HD LYS 70 -14.336 14.814 -4.131 511 HE2 LYS 70 2HE LYS 70 -13.288 16.451 -5.652 512 HE3 LYS 70 1HE LYS 70 -11.790 15.519 -5.599 513 HZ1 LYS 70 3HZ LYS 70 -13.040 13.622 -6.517 514 HZ2 LYS 70 1HZ LYS 70 -13.002 14.953 -7.561 515 HZ3 LYS 70 2HZ LYS 70 -14.404 14.615 -6.679 516 H LEU 71 H LEU 71 -11.648 17.493 0.462 517 HA LEU 71 HA LEU 71 -11.731 16.589 2.564 518 HB2 LEU 71 2HB LEU 71 -12.565 14.199 0.903 519 HB3 LEU 71 1HB LEU 71 -12.616 14.202 2.655 520 HG LEU 71 HG LEU 71 -14.224 16.120 2.554 521 HD11 LEU 71 1HD1 LEU 71 -13.638 16.989 0.351 522 HD12 LEU 71 2HD1 LEU 71 -15.356 16.610 0.449 523 HD13 LEU 71 3HD1 LEU 71 -14.261 15.521 -0.405 524 HD21 LEU 71 3HD2 LEU 71 -15.086 13.615 1.101 525 HD22 LEU 71 1HD2 LEU 71 -16.147 14.760 1.922 526 HD23 LEU 71 2HD2 LEU 71 -14.987 13.814 2.851 527 H GLU 72 H GLU 72 -9.200 16.525 1.143 528 HA GLU 72 HA GLU 72 -8.006 13.910 1.575 529 HB2 GLU 72 2HB GLU 72 -7.806 15.362 -0.523 530 HB3 GLU 72 1HB GLU 72 -6.702 16.367 0.402 531 HG2 GLU 72 2HG GLU 72 -5.157 14.537 0.641 532 HG3 GLU 72 1HG GLU 72 -6.300 13.423 -0.112 533 H HIS 73 H HIS 73 -8.635 15.951 3.793 534 HA HIS 73 HA HIS 73 -6.077 16.648 4.912 535 HB2 HIS 73 2HB HIS 73 -8.788 16.526 6.271 536 HB3 HIS 73 1HB HIS 73 -7.345 17.310 6.909 537 HD1 HIS 73 HD1 HIS 73 -6.858 19.685 6.101 538 HD2 HIS 73 HD2 HIS 73 -10.013 17.881 4.084 539 HE1 HIS 73 HE1 HIS 73 -7.909 21.501 4.730 540 HE2 HIS 73 HE2 HIS 73 -9.720 20.360 3.416 541 H HIS 74 H HIS 74 -4.843 14.787 5.104 542 HA HIS 74 HA HIS 74 -5.746 12.834 7.131 543 HB2 HIS 74 2HB HIS 74 -4.220 12.103 4.613 544 HB3 HIS 74 1HB HIS 74 -4.792 10.995 5.855 545 HD1 HIS 74 HD1 HIS 74 -7.501 10.809 6.029 546 HD2 HIS 74 HD2 HIS 74 -5.968 12.513 2.564 547 HE1 HIS 74 HE1 HIS 74 -9.370 10.739 4.364 548 HE2 HIS 74 HE2 HIS 74 -8.347 11.562 2.223 549 H HIS 75 H HIS 75 -4.340 12.736 8.790 550 HA HIS 75 HA HIS 75 -1.797 13.963 8.780 551 HB2 HIS 75 2HB HIS 75 -3.048 11.957 10.667 552 HB3 HIS 75 1HB HIS 75 -1.453 12.652 10.941 553 HD1 HIS 75 HD1 HIS 75 -5.079 13.435 11.159 554 HD2 HIS 75 HD2 HIS 75 -1.448 15.416 11.578 555 HE1 HIS 75 HE1 HIS 75 -5.627 15.627 12.252 556 HE2 HIS 75 HE2 HIS 75 -3.437 16.850 12.398 557 H HIS 76 H HIS 76 0.000 13.316 7.805 558 HA HIS 76 HA HIS 76 0.107 10.680 6.618 559 HB2 HIS 76 2HB HIS 76 2.067 12.980 6.447 560 HB3 HIS 76 1HB HIS 76 2.100 11.524 5.454 561 HD1 HIS 76 HD1 HIS 76 0.671 14.875 5.609 562 HD2 HIS 76 HD2 HIS 76 -0.239 11.292 3.711 563 HE1 HIS 76 HE1 HIS 76 -0.981 15.467 3.815 564 HE2 HIS 76 HE2 HIS 76 -1.626 13.269 2.776 565 H HIS 77 H HIS 77 1.875 9.210 6.802 566 HA HIS 77 HA HIS 77 2.679 8.860 9.551 567 HB2 HIS 77 2HB HIS 77 3.364 6.682 8.925 568 HB3 HIS 77 1HB HIS 77 1.926 7.012 7.968 569 HD1 HIS 77 HD1 HIS 77 5.663 6.637 7.649 570 HD2 HIS 77 HD2 HIS 77 2.318 7.022 5.211 571 HE1 HIS 77 HE1 HIS 77 6.463 6.151 5.325 572 HE2 HIS 77 HE2 HIS 77 4.393 6.209 3.905 573 H HIS 78 H HIS 78 5.061 7.837 9.760 574 HA HIS 78 HA HIS 78 6.998 9.497 8.302 575 HB2 HIS 78 2HB HIS 78 8.227 9.779 10.579 576 HB3 HIS 78 1HB HIS 78 6.872 10.832 10.198 577 HD1 HIS 78 HD1 HIS 78 4.986 10.879 11.829 578 HD2 HIS 78 HD2 HIS 78 7.550 7.681 12.494 579 HE1 HIS 78 HE1 HIS 78 4.239 9.861 13.994 580 HE2 HIS 78 HE2 HIS 78 5.713 7.850 14.305 Start of MODEL 5 1 H1 MET 1 1H MET 1 -3.023 -10.138 -3.582 2 H2 MET 1 2H MET 1 -3.910 -11.027 -2.452 3 H3 MET 1 3H MET 1 -2.514 -11.690 -3.134 4 HA MET 1 HA MET 1 -2.120 -10.945 -0.874 5 HB2 MET 1 2HB MET 1 -0.108 -9.629 -1.326 6 HB3 MET 1 1HB MET 1 -0.279 -10.926 -2.502 7 HG2 MET 1 2HG MET 1 -1.036 -9.397 -4.178 8 HG3 MET 1 1HG MET 1 -1.131 -8.086 -3.008 9 HE1 MET 1 3HE MET 1 2.780 -9.897 -4.644 10 HE2 MET 1 1HE MET 1 1.168 -10.300 -5.240 11 HE3 MET 1 2HE MET 1 1.670 -10.817 -3.631 12 H ASN 2 H ASN 2 -2.090 -9.309 0.691 13 HA ASN 2 HA ASN 2 -3.760 -6.953 0.131 14 HB2 ASN 2 2HB ASN 2 -2.755 -8.011 2.789 15 HB3 ASN 2 1HB ASN 2 -3.944 -6.737 2.553 16 HD21 ASN 2 1HD2 ASN 2 -4.155 -9.278 3.969 17 HD22 ASN 2 2HD2 ASN 2 -5.494 -10.102 3.256 18 H LEU 3 H LEU 3 -2.831 -4.991 -0.160 19 HA LEU 3 HA LEU 3 -0.130 -4.511 0.956 20 HB2 LEU 3 2HB LEU 3 -1.297 -3.229 -1.521 21 HB3 LEU 3 1HB LEU 3 0.302 -2.953 -0.872 22 HG LEU 3 HG LEU 3 0.643 -4.343 -2.724 23 HD11 LEU 3 1HD1 LEU 3 1.887 -5.107 -0.782 24 HD12 LEU 3 2HD1 LEU 3 1.456 -6.459 -1.827 25 HD13 LEU 3 3HD1 LEU 3 0.560 -6.181 -0.334 26 HD21 LEU 3 3HD2 LEU 3 -0.622 -6.324 -3.247 27 HD22 LEU 3 1HD2 LEU 3 -1.714 -4.954 -3.063 28 HD23 LEU 3 2HD2 LEU 3 -1.575 -6.151 -1.773 29 H THR 4 H THR 4 0.023 -2.882 2.397 30 HA THR 4 HA THR 4 -2.209 -1.119 2.901 31 HB THR 4 HB THR 4 0.586 -0.901 4.063 32 HG1 THR 4 HG1 THR 4 0.087 -2.470 5.430 33 HG21 THR 4 3HG2 THR 4 -2.097 0.034 5.095 34 HG22 THR 4 1HG2 THR 4 -0.835 1.065 4.420 35 HG23 THR 4 2HG2 THR 4 -0.554 0.202 5.933 36 H VAL 5 H VAL 5 -2.245 -0.236 0.687 37 HA VAL 5 HA VAL 5 -0.022 1.205 -0.371 38 HB VAL 5 HB VAL 5 -1.620 0.146 -1.856 39 HG11 VAL 5 1HG1 VAL 5 -3.659 0.400 -0.546 40 HG12 VAL 5 2HG1 VAL 5 -3.889 1.016 -2.183 41 HG13 VAL 5 3HG1 VAL 5 -3.652 2.140 -0.844 42 HG21 VAL 5 3HG2 VAL 5 -0.372 2.071 -2.696 43 HG22 VAL 5 1HG2 VAL 5 -1.667 3.147 -2.172 44 HG23 VAL 5 2HG2 VAL 5 -1.965 1.966 -3.448 45 H ASN 6 H ASN 6 0.692 3.061 0.437 46 HA ASN 6 HA ASN 6 0.819 5.153 1.331 47 HB2 ASN 6 2HB ASN 6 -1.960 5.508 0.170 48 HB3 ASN 6 1HB ASN 6 -0.900 6.803 0.720 49 HD21 ASN 6 1HD2 ASN 6 -1.688 4.688 -1.829 50 HD22 ASN 6 2HD2 ASN 6 -0.512 5.261 -2.956 51 H GLY 7 H GLY 7 -0.486 2.919 2.889 52 HA2 GLY 7 2HA GLY 7 -1.047 2.959 5.194 53 HA3 GLY 7 1HA GLY 7 -1.647 4.598 5.006 54 H LYS 8 H LYS 8 -2.909 3.057 2.439 55 HA LYS 8 HA LYS 8 -5.416 2.424 3.846 56 HB2 LYS 8 2HB LYS 8 -4.932 2.966 0.900 57 HB3 LYS 8 1HB LYS 8 -6.496 2.630 1.623 58 HG2 LYS 8 2HG LYS 8 -6.465 4.946 1.352 59 HG3 LYS 8 1HG LYS 8 -6.089 4.711 3.059 60 HD2 LYS 8 2HD LYS 8 -3.700 5.004 2.565 61 HD3 LYS 8 1HD LYS 8 -4.080 5.232 0.858 62 HE2 LYS 8 2HE LYS 8 -3.730 7.386 1.875 63 HE3 LYS 8 1HE LYS 8 -5.440 7.217 1.477 64 HZ1 LYS 8 3HZ LYS 8 -5.862 6.637 3.804 65 HZ2 LYS 8 1HZ LYS 8 -5.170 8.172 3.657 66 HZ3 LYS 8 2HZ LYS 8 -4.226 6.871 4.165 67 HA PRO 9 HA PRO 9 -4.639 -1.870 2.880 68 HB2 PRO 9 2HB PRO 9 -6.960 -2.935 3.719 69 HB3 PRO 9 1HB PRO 9 -5.777 -2.263 4.846 70 HG2 PRO 9 2HG PRO 9 -8.313 -1.041 3.820 71 HG3 PRO 9 1HG PRO 9 -7.629 -0.999 5.456 72 HD2 PRO 9 2HD PRO 9 -7.407 1.047 3.608 73 HD3 PRO 9 1HD PRO 9 -6.301 0.800 4.973 74 H SER 10 H SER 10 -4.504 -2.093 0.659 75 HA SER 10 HA SER 10 -7.051 -2.526 -0.787 76 HB2 SER 10 2HB SER 10 -5.702 -0.691 -1.748 77 HB3 SER 10 1HB SER 10 -4.347 -1.800 -1.963 78 HG SER 10 HG SER 10 -6.516 -1.418 -3.538 79 H THR 11 H THR 11 -7.105 -4.302 -2.328 80 HA THR 11 HA THR 11 -5.166 -6.442 -1.732 81 HB THR 11 HB THR 11 -8.177 -6.775 -1.611 82 HG1 THR 11 HG1 THR 11 -6.401 -7.379 0.495 83 HG21 THR 11 3HG2 THR 11 -7.133 -8.749 -2.603 84 HG22 THR 11 1HG2 THR 11 -7.690 -9.109 -0.971 85 HG23 THR 11 2HG2 THR 11 -5.975 -8.828 -1.273 86 H VAL 12 H VAL 12 -4.295 -6.940 -3.648 87 HA VAL 12 HA VAL 12 -6.005 -7.174 -6.013 88 HB VAL 12 HB VAL 12 -3.901 -7.680 -7.253 89 HG11 VAL 12 1HG1 VAL 12 -3.872 -5.118 -5.646 90 HG12 VAL 12 2HG1 VAL 12 -4.761 -5.399 -7.143 91 HG13 VAL 12 3HG1 VAL 12 -2.998 -5.398 -7.153 92 HG21 VAL 12 3HG2 VAL 12 -1.735 -7.276 -6.163 93 HG22 VAL 12 1HG2 VAL 12 -2.580 -8.640 -5.431 94 HG23 VAL 12 2HG2 VAL 12 -2.551 -7.077 -4.612 95 H ASP 13 H ASP 13 -7.044 -8.992 -6.335 96 HA ASP 13 HA ASP 13 -6.637 -11.289 -4.723 97 HB2 ASP 13 2HB ASP 13 -8.849 -10.561 -5.485 98 HB3 ASP 13 1HB ASP 13 -8.396 -10.887 -7.154 99 H GLY 14 H GLY 14 -6.012 -13.405 -5.292 100 HA2 GLY 14 2HA GLY 14 -5.141 -15.112 -6.622 101 HA3 GLY 14 1HA GLY 14 -5.060 -13.995 -7.974 102 H ALA 15 H ALA 15 -3.398 -12.077 -7.349 103 HA ALA 15 HA ALA 15 -0.842 -13.174 -7.530 104 HB1 ALA 15 3HB ALA 15 -1.411 -10.930 -8.315 105 HB2 ALA 15 1HB ALA 15 -0.016 -10.892 -7.236 106 HB3 ALA 15 2HB ALA 15 -1.601 -10.386 -6.647 107 H GLU 16 H GLU 16 0.128 -14.375 -6.002 108 HA GLU 16 HA GLU 16 -0.111 -13.674 -3.166 109 HB2 GLU 16 2HB GLU 16 1.231 -16.035 -4.508 110 HB3 GLU 16 1HB GLU 16 1.119 -15.798 -2.770 111 HG2 GLU 16 2HG GLU 16 -1.342 -15.897 -2.947 112 HG3 GLU 16 1HG GLU 16 -1.179 -16.223 -4.673 113 H SER 17 H SER 17 2.530 -14.384 -5.472 114 HA SER 17 HA SER 17 4.222 -12.407 -4.117 115 HB2 SER 17 2HB SER 17 6.135 -13.997 -4.052 116 HB3 SER 17 1HB SER 17 4.805 -14.491 -3.005 117 HG SER 17 HG SER 17 5.356 -15.500 -5.613 118 H LEU 18 H LEU 18 4.923 -11.076 -5.652 119 HA LEU 18 HA LEU 18 6.214 -12.077 -8.023 120 HB2 LEU 18 2HB LEU 18 4.705 -10.535 -9.483 121 HB3 LEU 18 1HB LEU 18 4.198 -12.167 -9.106 122 HG LEU 18 HG LEU 18 2.700 -11.283 -7.344 123 HD11 LEU 18 1HD1 LEU 18 3.544 -8.572 -8.359 124 HD12 LEU 18 2HD1 LEU 18 3.904 -9.249 -6.770 125 HD13 LEU 18 3HD1 LEU 18 2.237 -8.888 -7.218 126 HD21 LEU 18 3HD2 LEU 18 1.840 -11.684 -9.593 127 HD22 LEU 18 1HD2 LEU 18 2.291 -10.046 -10.071 128 HD23 LEU 18 2HD2 LEU 18 1.040 -10.299 -8.852 129 H ASN 19 H ASN 19 7.102 -10.277 -9.396 130 HA ASN 19 HA ASN 19 8.439 -8.362 -7.783 131 HB2 ASN 19 2HB ASN 19 8.113 -8.323 -10.791 132 HB3 ASN 19 1HB ASN 19 9.371 -7.519 -9.857 133 HD21 ASN 19 1HD2 ASN 19 9.623 -9.450 -11.987 134 HD22 ASN 19 2HD2 ASN 19 10.496 -10.785 -11.331 135 H VAL 20 H VAL 20 8.352 -5.988 -8.046 136 HA VAL 20 HA VAL 20 5.806 -4.875 -7.746 137 HB VAL 20 HB VAL 20 8.285 -3.427 -8.720 138 HG11 VAL 20 1HG1 VAL 20 5.774 -2.391 -7.395 139 HG12 VAL 20 2HG1 VAL 20 6.287 -2.099 -9.058 140 HG13 VAL 20 3HG1 VAL 20 7.222 -1.434 -7.720 141 HG21 VAL 20 3HG2 VAL 20 8.735 -4.617 -6.642 142 HG22 VAL 20 1HG2 VAL 20 7.303 -3.901 -5.901 143 HG23 VAL 20 2HG2 VAL 20 8.668 -2.878 -6.352 144 H THR 21 H THR 21 7.856 -5.079 -10.645 145 HA THR 21 HA THR 21 6.188 -3.760 -12.467 146 HB THR 21 HB THR 21 8.000 -6.133 -13.026 147 HG1 THR 21 HG1 THR 21 9.037 -3.805 -13.809 148 HG21 THR 21 3HG2 THR 21 8.090 -5.235 -15.323 149 HG22 THR 21 1HG2 THR 21 6.905 -4.004 -14.885 150 HG23 THR 21 2HG2 THR 21 6.451 -5.709 -14.876 151 H GLU 22 H GLU 22 6.283 -7.220 -11.592 152 HA GLU 22 HA GLU 22 4.176 -8.011 -13.316 153 HB2 GLU 22 2HB GLU 22 5.178 -9.326 -10.773 154 HB3 GLU 22 1HB GLU 22 4.119 -10.084 -11.957 155 HG2 GLU 22 2HG GLU 22 5.894 -9.859 -13.655 156 HG3 GLU 22 1HG GLU 22 6.956 -9.162 -12.434 157 H LEU 23 H LEU 23 4.225 -6.755 -10.029 158 HA LEU 23 HA LEU 23 1.503 -7.184 -9.378 159 HB2 LEU 23 2HB LEU 23 3.397 -6.526 -7.819 160 HB3 LEU 23 1HB LEU 23 3.251 -4.895 -8.437 161 HG LEU 23 HG LEU 23 0.941 -6.319 -7.101 162 HD11 LEU 23 1HD1 LEU 23 1.543 -5.125 -5.039 163 HD12 LEU 23 2HD1 LEU 23 3.030 -4.560 -5.806 164 HD13 LEU 23 3HD1 LEU 23 2.782 -6.284 -5.518 165 HD21 LEU 23 3HD2 LEU 23 0.298 -4.377 -8.403 166 HD22 LEU 23 1HD2 LEU 23 1.529 -3.396 -7.604 167 HD23 LEU 23 2HD2 LEU 23 0.157 -4.015 -6.683 168 H LEU 24 H LEU 24 3.201 -4.398 -10.816 169 HA LEU 24 HA LEU 24 1.019 -2.718 -11.242 170 HB2 LEU 24 2HB LEU 24 3.508 -3.077 -12.922 171 HB3 LEU 24 1HB LEU 24 2.388 -1.738 -13.082 172 HG LEU 24 HG LEU 24 4.078 -2.351 -10.650 173 HD11 LEU 24 1HD1 LEU 24 5.390 -1.475 -12.502 174 HD12 LEU 24 2HD1 LEU 24 5.247 -0.278 -11.216 175 HD13 LEU 24 3HD1 LEU 24 4.269 -0.123 -12.676 176 HD21 LEU 24 3HD2 LEU 24 3.252 -0.198 -9.790 177 HD22 LEU 24 1HD2 LEU 24 1.956 -1.381 -9.982 178 HD23 LEU 24 2HD2 LEU 24 2.150 -0.086 -11.162 179 H SER 25 H SER 25 2.217 -5.423 -13.172 180 HA SER 25 HA SER 25 0.475 -5.153 -15.384 181 HB2 SER 25 2HB SER 25 2.421 -6.618 -15.509 182 HB3 SER 25 1HB SER 25 1.771 -7.645 -14.234 183 HG SER 25 HG SER 25 1.336 -7.771 -16.870 184 H ALA 26 H ALA 26 0.199 -7.298 -12.535 185 HA ALA 26 HA ALA 26 -2.333 -8.347 -13.125 186 HB1 ALA 26 3HB ALA 26 -1.088 -7.979 -10.399 187 HB2 ALA 26 1HB ALA 26 -0.782 -9.328 -11.493 188 HB3 ALA 26 2HB ALA 26 -2.391 -9.092 -10.811 189 H LEU 27 H LEU 27 -1.442 -5.432 -11.334 190 HA LEU 27 HA LEU 27 -4.147 -4.817 -10.542 191 HB2 LEU 27 2HB LEU 27 -2.263 -4.113 -9.162 192 HB3 LEU 27 1HB LEU 27 -1.605 -3.177 -10.488 193 HG LEU 27 HG LEU 27 -3.577 -1.668 -10.377 194 HD11 LEU 27 1HD1 LEU 27 -5.073 -1.769 -8.448 195 HD12 LEU 27 2HD1 LEU 27 -4.296 -3.260 -7.914 196 HD13 LEU 27 3HD1 LEU 27 -5.197 -3.227 -9.431 197 HD21 LEU 27 3HD2 LEU 27 -2.932 -0.528 -8.311 198 HD22 LEU 27 1HD2 LEU 27 -1.518 -1.088 -9.206 199 HD23 LEU 27 2HD2 LEU 27 -2.066 -1.969 -7.780 200 H LYS 28 H LYS 28 -2.192 -4.247 -13.318 201 HA LYS 28 HA LYS 28 -2.439 -3.084 -15.245 202 HB2 LYS 28 2HB LYS 28 -4.769 -4.200 -15.032 203 HB3 LYS 28 1HB LYS 28 -5.342 -2.614 -14.547 204 HG2 LYS 28 2HG LYS 28 -3.902 -3.107 -17.144 205 HG3 LYS 28 1HG LYS 28 -5.651 -3.239 -16.976 206 HD2 LYS 28 2HD LYS 28 -5.692 -0.873 -16.185 207 HD3 LYS 28 1HD LYS 28 -3.961 -0.775 -16.521 208 HE2 LYS 28 2HE LYS 28 -5.219 0.165 -18.367 209 HE3 LYS 28 1HE LYS 28 -4.408 -1.314 -18.883 210 HZ1 LYS 28 3HZ LYS 28 -6.648 -1.277 -19.716 211 HZ2 LYS 28 1HZ LYS 28 -7.275 -1.033 -18.165 212 HZ3 LYS 28 2HZ LYS 28 -6.526 -2.497 -18.553 213 H VAL 29 H VAL 29 -1.062 -1.464 -14.401 214 HA VAL 29 HA VAL 29 -2.282 0.863 -13.107 215 HB VAL 29 HB VAL 29 -0.202 -0.143 -12.180 216 HG11 VAL 29 1HG1 VAL 29 1.073 0.883 -14.718 217 HG12 VAL 29 2HG1 VAL 29 0.874 -0.807 -14.253 218 HG13 VAL 29 3HG1 VAL 29 1.940 0.243 -13.320 219 HG21 VAL 29 3HG2 VAL 29 -0.745 2.174 -11.667 220 HG22 VAL 29 1HG2 VAL 29 0.071 2.715 -13.134 221 HG23 VAL 29 2HG2 VAL 29 1.000 1.980 -11.827 222 H ALA 30 H ALA 30 -2.030 3.000 -13.881 223 HA ALA 30 HA ALA 30 -2.148 3.334 -16.710 224 HB1 ALA 30 3HB ALA 30 -3.416 4.747 -15.154 225 HB2 ALA 30 1HB ALA 30 -2.400 5.706 -16.233 226 HB3 ALA 30 2HB ALA 30 -1.905 5.438 -14.561 227 H GLN 31 H GLN 31 0.387 3.849 -14.306 228 HA GLN 31 HA GLN 31 2.291 4.476 -16.478 229 HB2 GLN 31 2HB GLN 31 2.482 5.604 -13.671 230 HB3 GLN 31 1HB GLN 31 3.461 6.038 -15.063 231 HG2 GLN 31 2HG GLN 31 0.531 6.626 -14.685 232 HG3 GLN 31 1HG GLN 31 1.858 7.779 -14.563 233 HE21 GLN 31 1HE2 GLN 31 -0.475 7.793 -16.301 234 HE22 GLN 31 2HE2 GLN 31 0.131 7.856 -17.914 235 H ALA 32 H ALA 32 4.172 3.306 -16.473 236 HA ALA 32 HA ALA 32 4.671 1.513 -14.156 237 HB1 ALA 32 3HB ALA 32 5.038 0.830 -17.078 238 HB2 ALA 32 1HB ALA 32 3.737 0.251 -16.037 239 HB3 ALA 32 2HB ALA 32 5.404 -0.224 -15.711 240 H GLU 33 H GLU 33 5.800 4.138 -15.435 241 HA GLU 33 HA GLU 33 8.623 3.492 -15.014 242 HB2 GLU 33 2HB GLU 33 9.302 4.712 -17.035 243 HB3 GLU 33 1HB GLU 33 8.290 3.333 -17.434 244 HG2 GLU 33 2HG GLU 33 7.379 6.209 -17.335 245 HG3 GLU 33 1HG GLU 33 7.773 5.308 -18.795 246 H TYR 34 H TYR 34 6.098 5.966 -15.286 247 HA TYR 34 HA TYR 34 7.744 7.981 -13.987 248 HB2 TYR 34 2HB TYR 34 4.792 7.983 -14.672 249 HB3 TYR 34 1HB TYR 34 5.675 9.358 -14.023 250 HD1 TYR 34 HD2 TYR 34 5.110 7.260 -16.970 251 HD2 TYR 34 HD1 TYR 34 7.200 10.635 -15.434 252 HE1 TYR 34 HE2 TYR 34 5.671 7.939 -19.259 253 HE2 TYR 34 HE1 TYR 34 7.766 11.330 -17.723 254 HH TYR 34 HH TYR 34 7.939 10.500 -19.914 255 H VAL 35 H VAL 35 5.719 5.414 -12.986 256 HA VAL 35 HA VAL 35 4.557 6.584 -10.674 257 HB VAL 35 HB VAL 35 3.527 4.657 -11.727 258 HG11 VAL 35 1HG1 VAL 35 5.475 3.472 -12.527 259 HG12 VAL 35 2HG1 VAL 35 4.508 2.398 -11.515 260 HG13 VAL 35 3HG1 VAL 35 5.986 3.122 -10.876 261 HG21 VAL 35 3HG2 VAL 35 3.088 3.302 -9.718 262 HG22 VAL 35 1HG2 VAL 35 3.072 5.030 -9.366 263 HG23 VAL 35 2HG2 VAL 35 4.469 4.051 -8.919 264 H THR 36 H THR 36 5.416 6.998 -8.744 265 HA THR 36 HA THR 36 7.896 5.635 -7.935 266 HB THR 36 HB THR 36 6.608 8.094 -6.713 267 HG1 THR 36 HG1 THR 36 8.060 9.252 -7.843 268 HG21 THR 36 3HG2 THR 36 7.857 6.867 -5.033 269 HG22 THR 36 1HG2 THR 36 8.760 8.312 -5.489 270 HG23 THR 36 2HG2 THR 36 9.244 6.734 -6.114 271 H VAL 37 H VAL 37 7.212 3.695 -7.098 272 HA VAL 37 HA VAL 37 5.273 3.770 -4.881 273 HB VAL 37 HB VAL 37 5.311 1.247 -5.072 274 HG11 VAL 37 1HG1 VAL 37 3.502 2.574 -6.035 275 HG12 VAL 37 2HG1 VAL 37 3.873 1.189 -7.063 276 HG13 VAL 37 3HG1 VAL 37 4.436 2.798 -7.515 277 HG21 VAL 37 3HG2 VAL 37 6.151 0.279 -7.172 278 HG22 VAL 37 1HG2 VAL 37 7.454 0.990 -6.219 279 HG23 VAL 37 2HG2 VAL 37 6.820 1.848 -7.623 280 H GLU 38 H GLU 38 6.459 4.447 -3.140 281 HA GLU 38 HA GLU 38 8.973 3.067 -2.539 282 HB2 GLU 38 2HB GLU 38 9.225 4.796 -0.742 283 HB3 GLU 38 1HB GLU 38 9.176 5.432 -2.378 284 HG2 GLU 38 2HG GLU 38 6.831 6.077 -2.055 285 HG3 GLU 38 1HG GLU 38 6.895 5.458 -0.403 286 H LEU 39 H LEU 39 8.393 1.085 -1.772 287 HA LEU 39 HA LEU 39 6.287 0.684 0.093 288 HB2 LEU 39 2HB LEU 39 7.593 -1.608 0.394 289 HB3 LEU 39 1HB LEU 39 6.609 -1.262 -1.011 290 HG LEU 39 HG LEU 39 8.721 -0.568 -2.215 291 HD11 LEU 39 1HD1 LEU 39 10.854 -1.402 -1.346 292 HD12 LEU 39 2HD1 LEU 39 10.059 -1.845 0.166 293 HD13 LEU 39 3HD1 LEU 39 10.164 -0.150 -0.312 294 HD21 LEU 39 3HD2 LEU 39 9.416 -2.872 -2.676 295 HD22 LEU 39 1HD2 LEU 39 7.660 -2.723 -2.612 296 HD23 LEU 39 2HD2 LEU 39 8.535 -3.424 -1.250 297 H ASN 40 H ASN 40 6.230 1.243 2.128 298 HA ASN 40 HA ASN 40 6.809 1.783 4.260 299 HB2 ASN 40 2HB ASN 40 9.068 -0.181 3.793 300 HB3 ASN 40 1HB ASN 40 8.509 0.386 5.363 301 HD21 ASN 40 1HD2 ASN 40 7.816 -1.640 2.644 302 HD22 ASN 40 2HD2 ASN 40 6.531 -2.525 3.374 303 H GLY 41 H GLY 41 7.718 3.594 2.315 304 HA2 GLY 41 2HA GLY 41 9.081 5.444 2.168 305 HA3 GLY 41 1HA GLY 41 9.724 5.020 3.746 306 H GLU 42 H GLU 42 9.826 3.356 0.603 307 HA GLU 42 HA GLU 42 12.698 3.754 0.393 308 HB2 GLU 42 2HB GLU 42 12.538 1.788 1.831 309 HB3 GLU 42 1HB GLU 42 11.476 0.998 0.673 310 HG2 GLU 42 2HG GLU 42 13.257 0.827 -0.931 311 HG3 GLU 42 1HG GLU 42 14.327 1.784 0.096 312 H VAL 43 H VAL 43 12.871 4.475 -1.636 313 HA VAL 43 HA VAL 43 10.869 3.765 -3.617 314 HB VAL 43 HB VAL 43 11.480 6.111 -3.378 315 HG11 VAL 43 1HG1 VAL 43 13.803 5.845 -2.665 316 HG12 VAL 43 2HG1 VAL 43 13.685 6.947 -4.036 317 HG13 VAL 43 3HG1 VAL 43 14.248 5.293 -4.281 318 HG21 VAL 43 3HG2 VAL 43 11.870 6.650 -5.731 319 HG22 VAL 43 1HG2 VAL 43 10.720 5.321 -5.574 320 HG23 VAL 43 2HG2 VAL 43 12.389 4.995 -6.041 321 H LEU 44 H LEU 44 11.143 2.556 -5.403 322 HA LEU 44 HA LEU 44 13.748 1.256 -5.820 323 HB2 LEU 44 2HB LEU 44 11.004 0.520 -6.865 324 HB3 LEU 44 1HB LEU 44 12.472 -0.358 -7.229 325 HG LEU 44 HG LEU 44 11.336 -1.610 -5.574 326 HD11 LEU 44 1HD1 LEU 44 13.502 -0.034 -4.186 327 HD12 LEU 44 2HD1 LEU 44 13.735 -1.449 -5.215 328 HD13 LEU 44 3HD1 LEU 44 12.874 -1.606 -3.686 329 HD21 LEU 44 3HD2 LEU 44 11.096 0.926 -3.948 330 HD22 LEU 44 1HD2 LEU 44 10.590 -0.682 -3.429 331 HD23 LEU 44 2HD2 LEU 44 9.787 0.098 -4.790 332 H GLU 45 H GLU 45 14.681 1.136 -7.904 333 HA GLU 45 HA GLU 45 14.375 3.383 -9.609 334 HB2 GLU 45 2HB GLU 45 15.723 0.727 -10.138 335 HB3 GLU 45 1HB GLU 45 15.889 2.157 -11.142 336 HG2 GLU 45 2HG GLU 45 16.966 3.336 -9.294 337 HG3 GLU 45 1HG GLU 45 16.790 1.899 -8.280 338 H ARG 46 H ARG 46 13.986 3.188 -11.993 339 HA ARG 46 HA ARG 46 11.505 2.113 -12.711 340 HB2 ARG 46 2HB ARG 46 12.704 3.929 -13.920 341 HB3 ARG 46 1HB ARG 46 13.859 2.748 -14.517 342 HG2 ARG 46 2HG ARG 46 12.097 1.623 -15.768 343 HG3 ARG 46 1HG ARG 46 10.904 2.752 -15.123 344 HD2 ARG 46 2HD ARG 46 13.252 3.466 -16.890 345 HD3 ARG 46 1HD ARG 46 11.564 3.376 -17.393 346 HE ARG 46 HE ARG 46 12.289 5.246 -15.257 347 HH11 ARG 46 1HH1 ARG 46 11.359 4.767 -18.543 348 HH12 ARG 46 2HH1 ARG 46 10.872 6.411 -18.749 349 HH21 ARG 46 1HH2 ARG 46 11.689 7.350 -15.552 350 HH22 ARG 46 2HH2 ARG 46 11.060 7.857 -17.085 351 H GLU 47 H GLU 47 14.758 0.781 -12.959 352 HA GLU 47 HA GLU 47 13.946 -1.697 -14.197 353 HB2 GLU 47 2HB GLU 47 16.184 -0.789 -14.570 354 HB3 GLU 47 1HB GLU 47 16.528 -0.857 -12.848 355 HG2 GLU 47 2HG GLU 47 17.640 -2.673 -13.945 356 HG3 GLU 47 1HG GLU 47 16.343 -3.325 -12.946 357 H ALA 48 H ALA 48 14.771 -0.629 -10.921 358 HA ALA 48 HA ALA 48 14.991 -3.088 -9.642 359 HB1 ALA 48 3HB ALA 48 14.661 -1.879 -7.564 360 HB2 ALA 48 1HB ALA 48 14.000 -0.504 -8.449 361 HB3 ALA 48 2HB ALA 48 15.690 -0.960 -8.660 362 H PHE 49 H PHE 49 12.086 -1.480 -10.699 363 HA PHE 49 HA PHE 49 10.178 -2.644 -9.033 364 HB2 PHE 49 2HB PHE 49 9.963 -2.059 -11.997 365 HB3 PHE 49 1HB PHE 49 8.600 -2.409 -10.942 366 HD1 PHE 49 HD1 PHE 49 9.463 -0.820 -8.531 367 HD2 PHE 49 HD2 PHE 49 9.463 0.134 -12.686 368 HE1 PHE 49 HE1 PHE 49 9.255 1.567 -7.981 369 HE2 PHE 49 HE2 PHE 49 9.261 2.525 -12.136 370 HZ PHE 49 HZ PHE 49 9.155 3.242 -9.782 371 H ASP 50 H ASP 50 11.897 -4.033 -11.782 372 HA ASP 50 HA ASP 50 10.474 -6.548 -11.658 373 HB2 ASP 50 2HB ASP 50 11.306 -5.862 -13.804 374 HB3 ASP 50 1HB ASP 50 12.935 -5.644 -13.173 375 H ALA 51 H ALA 51 13.431 -5.214 -10.344 376 HA ALA 51 HA ALA 51 14.545 -7.760 -9.563 377 HB1 ALA 51 3HB ALA 51 16.337 -6.450 -8.579 378 HB2 ALA 51 1HB ALA 51 15.401 -4.969 -8.793 379 HB3 ALA 51 2HB ALA 51 15.967 -5.866 -10.201 380 H THR 52 H THR 52 12.144 -5.812 -8.226 381 HA THR 52 HA THR 52 12.693 -6.780 -5.483 382 HB THR 52 HB THR 52 10.983 -4.409 -6.295 383 HG1 THR 52 HG1 THR 52 13.133 -3.866 -6.593 384 HG21 THR 52 3HG2 THR 52 10.220 -5.433 -4.208 385 HG22 THR 52 1HG2 THR 52 10.988 -3.879 -3.885 386 HG23 THR 52 2HG2 THR 52 11.860 -5.378 -3.562 387 H THR 53 H THR 53 11.430 -8.409 -4.812 388 HA THR 53 HA THR 53 8.856 -8.902 -6.130 389 HB THR 53 HB THR 53 10.470 -10.648 -4.259 390 HG1 THR 53 HG1 THR 53 9.850 -11.048 -7.015 391 HG21 THR 53 3HG2 THR 53 8.864 -12.436 -4.840 392 HG22 THR 53 1HG2 THR 53 7.878 -11.257 -5.703 393 HG23 THR 53 2HG2 THR 53 8.089 -11.121 -3.956 394 H VAL 54 H VAL 54 7.005 -8.359 -5.240 395 HA VAL 54 HA VAL 54 6.820 -7.777 -2.364 396 HB VAL 54 HB VAL 54 4.849 -7.157 -4.588 397 HG11 VAL 54 1HG1 VAL 54 3.788 -5.654 -2.963 398 HG12 VAL 54 2HG1 VAL 54 4.938 -6.165 -1.726 399 HG13 VAL 54 3HG1 VAL 54 3.780 -7.321 -2.385 400 HG21 VAL 54 3HG2 VAL 54 6.923 -5.920 -4.912 401 HG22 VAL 54 1HG2 VAL 54 6.868 -5.347 -3.244 402 HG23 VAL 54 2HG2 VAL 54 5.637 -4.831 -4.396 403 H LYS 55 H LYS 55 5.102 -8.692 -1.092 404 HA LYS 55 HA LYS 55 3.415 -10.735 -2.292 405 HB2 LYS 55 2HB LYS 55 4.033 -12.432 -0.566 406 HB3 LYS 55 1HB LYS 55 5.306 -12.085 -1.723 407 HG2 LYS 55 2HG LYS 55 6.446 -10.691 -0.083 408 HG3 LYS 55 1HG LYS 55 5.152 -10.983 1.081 409 HD2 LYS 55 2HD LYS 55 7.130 -12.418 1.479 410 HD3 LYS 55 1HD LYS 55 5.676 -13.353 1.127 411 HE2 LYS 55 2HE LYS 55 6.435 -13.576 -1.225 412 HE3 LYS 55 1HE LYS 55 7.918 -12.719 -0.800 413 HZ1 LYS 55 3HZ LYS 55 7.033 -15.285 0.407 414 HZ2 LYS 55 1HZ LYS 55 8.493 -14.487 0.700 415 HZ3 LYS 55 2HZ LYS 55 8.181 -15.142 -0.828 416 H ASP 56 H ASP 56 2.170 -11.846 -0.220 417 HA ASP 56 HA ASP 56 0.321 -9.874 0.484 418 HB2 ASP 56 2HB ASP 56 -0.169 -12.298 0.326 419 HB3 ASP 56 1HB ASP 56 0.737 -12.560 1.814 420 H GLY 57 H GLY 57 0.474 -8.275 1.907 421 HA2 GLY 57 2HA GLY 57 0.479 -7.540 4.170 422 HA3 GLY 57 1HA GLY 57 1.600 -8.830 4.567 423 H ASP 58 H ASP 58 1.620 -6.138 2.194 424 HA ASP 58 HA ASP 58 4.015 -5.068 3.517 425 HB2 ASP 58 2HB ASP 58 4.793 -6.498 1.649 426 HB3 ASP 58 1HB ASP 58 3.828 -5.542 0.529 427 H ALA 59 H ALA 59 4.458 -2.811 2.997 428 HA ALA 59 HA ALA 59 1.960 -1.385 2.319 429 HB1 ALA 59 3HB ALA 59 4.238 -0.476 4.079 430 HB2 ALA 59 1HB ALA 59 2.669 -1.068 4.627 431 HB3 ALA 59 2HB ALA 59 2.776 0.446 3.728 432 H VAL 60 H VAL 60 2.478 -1.413 0.035 433 HA VAL 60 HA VAL 60 4.744 0.137 -0.873 434 HB VAL 60 HB VAL 60 3.833 -0.179 -3.151 435 HG11 VAL 60 1HG1 VAL 60 4.086 -2.635 -3.240 436 HG12 VAL 60 2HG1 VAL 60 3.965 -2.697 -1.480 437 HG13 VAL 60 3HG1 VAL 60 5.321 -1.865 -2.243 438 HG21 VAL 60 3HG2 VAL 60 1.876 -1.659 -3.492 439 HG22 VAL 60 1HG2 VAL 60 1.446 -0.144 -2.698 440 HG23 VAL 60 2HG2 VAL 60 1.572 -1.630 -1.754 441 H GLU 61 H GLU 61 4.722 2.286 -0.531 442 HA GLU 61 HA GLU 61 2.269 3.793 -0.486 443 HB2 GLU 61 2HB GLU 61 5.152 4.719 -0.363 444 HB3 GLU 61 1HB GLU 61 3.753 5.760 -0.123 445 HG2 GLU 61 2HG GLU 61 3.084 4.416 1.817 446 HG3 GLU 61 1HG GLU 61 4.488 3.380 1.578 447 H PHE 62 H PHE 62 1.318 3.684 -2.447 448 HA PHE 62 HA PHE 62 2.693 4.248 -4.919 449 HB2 PHE 62 2HB PHE 62 0.723 2.647 -4.567 450 HB3 PHE 62 1HB PHE 62 -0.294 4.077 -4.483 451 HD1 PHE 62 HD2 PHE 62 -0.232 5.674 -6.531 452 HD2 PHE 62 HD1 PHE 62 1.178 1.652 -6.605 453 HE1 PHE 62 HE2 PHE 62 -0.452 5.642 -8.979 454 HE2 PHE 62 HE1 PHE 62 0.954 1.615 -9.046 455 HZ PHE 62 HZ PHE 62 0.141 3.611 -10.244 456 H LEU 63 H LEU 63 3.457 6.374 -4.803 457 HA LEU 63 HA LEU 63 1.941 8.545 -3.799 458 HB2 LEU 63 2HB LEU 63 4.339 8.597 -5.634 459 HB3 LEU 63 1HB LEU 63 3.708 9.968 -4.738 460 HG LEU 63 HG LEU 63 4.982 7.483 -3.578 461 HD11 LEU 63 1HD1 LEU 63 5.860 10.372 -3.575 462 HD12 LEU 63 2HD1 LEU 63 6.567 9.068 -4.530 463 HD13 LEU 63 3HD1 LEU 63 6.685 9.035 -2.772 464 HD21 LEU 63 3HD2 LEU 63 3.158 8.178 -2.136 465 HD22 LEU 63 1HD2 LEU 63 3.748 9.840 -2.146 466 HD23 LEU 63 2HD2 LEU 63 4.705 8.567 -1.388 467 H TYR 64 H TYR 64 0.467 9.825 -4.706 468 HA TYR 64 HA TYR 64 -0.332 9.341 -7.479 469 HB2 TYR 64 2HB TYR 64 -2.364 10.639 -6.863 470 HB3 TYR 64 1HB TYR 64 -2.089 9.262 -5.804 471 HD1 TYR 64 HD2 TYR 64 -2.115 12.932 -6.030 472 HD2 TYR 64 HD1 TYR 64 -1.481 9.590 -3.462 473 HE1 TYR 64 HE2 TYR 64 -2.225 14.418 -4.075 474 HE2 TYR 64 HE1 TYR 64 -1.589 11.072 -1.504 475 HH TYR 64 HH TYR 64 -2.697 14.289 -1.679 476 H PHE 65 H PHE 65 2.050 11.029 -6.611 477 HA PHE 65 HA PHE 65 1.631 13.755 -6.893 478 HB2 PHE 65 2HB PHE 65 4.007 13.951 -7.334 479 HB3 PHE 65 1HB PHE 65 3.734 12.718 -6.106 480 HD1 PHE 65 HD2 PHE 65 3.631 10.254 -6.959 481 HD2 PHE 65 HD1 PHE 65 5.352 13.469 -9.163 482 HE1 PHE 65 HE2 PHE 65 4.926 8.647 -8.295 483 HE2 PHE 65 HE1 PHE 65 6.649 11.862 -10.497 484 HZ PHE 65 HZ PHE 65 6.440 9.451 -10.065 485 H MET 66 H MET 66 1.454 11.387 -9.375 486 HA MET 66 HA MET 66 2.111 12.948 -11.638 487 HB2 MET 66 2HB MET 66 0.221 10.599 -11.355 488 HB3 MET 66 1HB MET 66 0.716 11.285 -12.896 489 HG2 MET 66 2HG MET 66 2.794 10.342 -10.966 490 HG3 MET 66 1HG MET 66 1.908 9.172 -11.937 491 HE1 MET 66 3HE MET 66 4.664 11.939 -11.882 492 HE2 MET 66 1HE MET 66 3.374 12.819 -12.705 493 HE3 MET 66 2HE MET 66 4.828 12.359 -13.585 494 H GLY 67 H GLY 67 -0.801 12.726 -9.697 495 HA2 GLY 67 2HA GLY 67 -2.204 14.775 -9.702 496 HA3 GLY 67 1HA GLY 67 -2.117 14.721 -11.457 497 H GLY 68 H GLY 68 -2.974 12.497 -8.796 498 HA2 GLY 68 2HA GLY 68 -5.486 11.869 -10.199 499 HA3 GLY 68 1HA GLY 68 -4.380 10.561 -9.810 500 H GLY 69 H GLY 69 -7.125 10.932 -8.885 501 HA2 GLY 69 2HA GLY 69 -7.412 9.900 -6.544 502 HA3 GLY 69 1HA GLY 69 -6.705 11.408 -5.995 503 H LYS 70 H LYS 70 -8.803 11.656 -8.724 504 HA LYS 70 HA LYS 70 -10.701 13.243 -7.329 505 HB2 LYS 70 2HB LYS 70 -10.121 13.313 -9.824 506 HB3 LYS 70 1HB LYS 70 -11.150 11.906 -10.012 507 HG2 LYS 70 2HG LYS 70 -12.108 14.538 -8.887 508 HG3 LYS 70 1HG LYS 70 -12.201 14.111 -10.595 509 HD2 LYS 70 2HD LYS 70 -13.620 12.180 -10.025 510 HD3 LYS 70 1HD LYS 70 -13.530 12.620 -8.320 511 HE2 LYS 70 2HE LYS 70 -14.770 14.247 -10.541 512 HE3 LYS 70 1HE LYS 70 -15.626 13.387 -9.262 513 HZ1 LYS 70 3HZ LYS 70 -14.295 14.876 -7.694 514 HZ2 LYS 70 1HZ LYS 70 -15.573 15.580 -8.551 515 HZ3 LYS 70 2HZ LYS 70 -13.983 15.832 -9.055 516 H LEU 71 H LEU 71 -11.678 12.162 -5.646 517 HA LEU 71 HA LEU 71 -13.271 9.769 -6.328 518 HB2 LEU 71 2HB LEU 71 -11.710 10.245 -3.780 519 HB3 LEU 71 1HB LEU 71 -12.792 8.893 -4.060 520 HG LEU 71 HG LEU 71 -10.246 9.438 -5.607 521 HD11 LEU 71 1HD1 LEU 71 -9.779 8.759 -3.317 522 HD12 LEU 71 2HD1 LEU 71 -9.362 7.471 -4.446 523 HD13 LEU 71 3HD1 LEU 71 -10.846 7.364 -3.496 524 HD21 LEU 71 3HD2 LEU 71 -10.609 7.202 -6.559 525 HD22 LEU 71 1HD2 LEU 71 -11.919 8.308 -6.976 526 HD23 LEU 71 2HD2 LEU 71 -12.156 7.096 -5.717 527 H GLU 72 H GLU 72 -15.333 10.410 -6.271 528 HA GLU 72 HA GLU 72 -16.313 11.694 -3.793 529 HB2 GLU 72 2HB GLU 72 -17.337 12.121 -6.613 530 HB3 GLU 72 1HB GLU 72 -18.163 12.680 -5.166 531 HG2 GLU 72 2HG GLU 72 -16.189 14.075 -4.632 532 HG3 GLU 72 1HG GLU 72 -15.464 13.575 -6.161 533 H HIS 73 H HIS 73 -18.806 11.306 -3.634 534 HA HIS 73 HA HIS 73 -19.486 8.606 -3.584 535 HB2 HIS 73 2HB HIS 73 -21.892 9.489 -3.585 536 HB3 HIS 73 1HB HIS 73 -20.830 10.085 -2.314 537 HD1 HIS 73 HD1 HIS 73 -20.291 12.583 -2.296 538 HD2 HIS 73 HD2 HIS 73 -22.605 11.421 -5.550 539 HE1 HIS 73 HE1 HIS 73 -21.070 14.715 -3.363 540 HE2 HIS 73 HE2 HIS 73 -22.326 13.988 -5.415 541 H HIS 74 H HIS 74 -20.045 7.171 -5.119 542 HA HIS 74 HA HIS 74 -19.705 7.777 -7.856 543 HB2 HIS 74 2HB HIS 74 -19.375 5.537 -6.643 544 HB3 HIS 74 1HB HIS 74 -21.113 5.317 -6.797 545 HD1 HIS 74 HD1 HIS 74 -17.932 5.113 -8.671 546 HD2 HIS 74 HD2 HIS 74 -22.005 4.897 -9.482 547 HE1 HIS 74 HE1 HIS 74 -18.111 4.151 -10.982 548 HE2 HIS 74 HE2 HIS 74 -20.576 3.873 -11.380 549 H HIS 75 H HIS 75 -21.138 9.427 -8.426 550 HA HIS 75 HA HIS 75 -23.015 10.384 -9.268 551 HB2 HIS 75 2HB HIS 75 -24.147 7.596 -9.032 552 HB3 HIS 75 1HB HIS 75 -25.116 8.955 -9.577 553 HD1 HIS 75 HD1 HIS 75 -24.775 6.705 -11.505 554 HD2 HIS 75 HD2 HIS 75 -22.104 9.879 -11.291 555 HE1 HIS 75 HE1 HIS 75 -23.657 6.797 -13.745 556 HE2 HIS 75 HE2 HIS 75 -21.916 8.593 -13.524 557 H HIS 76 H HIS 76 -25.173 11.172 -8.605 558 HA HIS 76 HA HIS 76 -25.244 11.662 -5.793 559 HB2 HIS 76 2HB HIS 76 -25.934 13.407 -7.317 560 HB3 HIS 76 1HB HIS 76 -27.190 12.380 -8.000 561 HD1 HIS 76 HD1 HIS 76 -29.427 12.991 -7.176 562 HD2 HIS 76 HD2 HIS 76 -26.502 13.719 -4.317 563 HE1 HIS 76 HE1 HIS 76 -30.646 13.914 -5.189 564 HE2 HIS 76 HE2 HIS 76 -28.871 14.262 -3.438 565 H HIS 77 H HIS 77 -25.774 10.013 -4.475 566 HA HIS 77 HA HIS 77 -28.402 8.699 -4.881 567 HB2 HIS 77 2HB HIS 77 -25.960 7.608 -3.439 568 HB3 HIS 77 1HB HIS 77 -27.516 6.797 -3.561 569 HD1 HIS 77 HD1 HIS 77 -28.019 5.541 -5.727 570 HD2 HIS 77 HD2 HIS 77 -24.422 7.611 -5.816 571 HE1 HIS 77 HE1 HIS 77 -26.815 4.705 -7.764 572 HE2 HIS 77 HE2 HIS 77 -24.608 5.911 -7.751 573 H HIS 78 H HIS 78 -28.614 7.577 -2.317 574 HA HIS 78 HA HIS 78 -28.598 9.922 -0.525 575 HB2 HIS 78 2HB HIS 78 -30.811 8.850 -0.875 576 HB3 HIS 78 1HB HIS 78 -30.165 7.342 -0.237 577 HD1 HIS 78 HD1 HIS 78 -29.885 7.157 2.308 578 HD2 HIS 78 HD2 HIS 78 -31.262 10.873 1.055 579 HE1 HIS 78 HE1 HIS 78 -30.607 8.345 4.395 580 HE2 HIS 78 HE2 HIS 78 -31.271 10.648 3.632 Start of MODEL 6 1 H1 MET 1 1H MET 1 -2.699 -10.511 -2.974 2 H2 MET 1 2H MET 1 -3.822 -11.215 -1.925 3 H3 MET 1 3H MET 1 -2.528 -12.130 -2.515 4 HA MET 1 HA MET 1 -2.188 -11.475 -0.218 5 HB2 MET 1 2HB MET 1 0.082 -10.507 -0.513 6 HB3 MET 1 1HB MET 1 -0.232 -11.872 -1.572 7 HG2 MET 1 2HG MET 1 -0.610 -10.358 -3.441 8 HG3 MET 1 1HG MET 1 -0.360 -8.971 -2.383 9 HE1 MET 1 3HE MET 1 1.647 -12.366 -2.285 10 HE2 MET 1 1HE MET 1 2.969 -12.011 -3.397 11 HE3 MET 1 2HE MET 1 1.319 -12.145 -4.005 12 H ASN 2 H ASN 2 -2.114 -9.945 1.378 13 HA ASN 2 HA ASN 2 -3.634 -7.553 0.921 14 HB2 ASN 2 2HB ASN 2 -2.265 -8.587 3.418 15 HB3 ASN 2 1HB ASN 2 -3.392 -7.232 3.369 16 HD21 ASN 2 1HD2 ASN 2 -3.061 -10.687 3.026 17 HD22 ASN 2 2HD2 ASN 2 -4.741 -11.055 3.149 18 H LEU 3 H LEU 3 -2.945 -5.498 0.684 19 HA LEU 3 HA LEU 3 -0.138 -4.823 1.228 20 HB2 LEU 3 2HB LEU 3 -1.539 -4.300 -1.400 21 HB3 LEU 3 1HB LEU 3 0.054 -3.708 -0.968 22 HG LEU 3 HG LEU 3 -0.702 -6.621 -1.299 23 HD11 LEU 3 1HD1 LEU 3 -0.680 -5.455 -3.427 24 HD12 LEU 3 2HD1 LEU 3 0.717 -6.524 -3.302 25 HD13 LEU 3 3HD1 LEU 3 0.912 -4.786 -3.073 26 HD21 LEU 3 3HD2 LEU 3 1.984 -5.337 -0.768 27 HD22 LEU 3 1HD2 LEU 3 1.705 -7.046 -1.110 28 HD23 LEU 3 2HD2 LEU 3 1.057 -6.325 0.362 29 H THR 4 H THR 4 0.277 -2.583 1.527 30 HA THR 4 HA THR 4 -2.134 -0.920 1.922 31 HB THR 4 HB THR 4 0.610 -0.540 3.151 32 HG1 THR 4 HG1 THR 4 -1.600 -1.067 4.754 33 HG21 THR 4 3HG2 THR 4 -0.490 1.145 4.563 34 HG22 THR 4 1HG2 THR 4 -1.990 0.918 3.664 35 HG23 THR 4 2HG2 THR 4 -0.571 1.587 2.858 36 H VAL 5 H VAL 5 -2.474 0.752 0.603 37 HA VAL 5 HA VAL 5 -0.181 2.053 -0.734 38 HB VAL 5 HB VAL 5 -1.146 0.616 -2.418 39 HG11 VAL 5 1HG1 VAL 5 -3.497 0.763 -3.105 40 HG12 VAL 5 2HG1 VAL 5 -3.807 1.911 -1.803 41 HG13 VAL 5 3HG1 VAL 5 -3.346 0.250 -1.425 42 HG21 VAL 5 3HG2 VAL 5 -0.421 2.816 -3.181 43 HG22 VAL 5 1HG2 VAL 5 -2.023 3.477 -2.854 44 HG23 VAL 5 2HG2 VAL 5 -1.810 2.267 -4.120 45 H ASN 6 H ASN 6 -0.168 4.223 -0.355 46 HA ASN 6 HA ASN 6 -0.838 6.340 0.180 47 HB2 ASN 6 2HB ASN 6 -3.454 5.344 -0.973 48 HB3 ASN 6 1HB ASN 6 -3.204 7.006 -0.454 49 HD21 ASN 6 1HD2 ASN 6 -0.677 5.140 -1.983 50 HD22 ASN 6 2HD2 ASN 6 -0.683 6.013 -3.463 51 H GLY 7 H GLY 7 -1.020 4.148 2.129 52 HA2 GLY 7 2HA GLY 7 -1.650 3.922 4.342 53 HA3 GLY 7 1HA GLY 7 -2.488 5.461 4.217 54 H LYS 8 H LYS 8 -3.343 3.136 1.857 55 HA LYS 8 HA LYS 8 -5.922 2.680 3.200 56 HB2 LYS 8 2HB LYS 8 -5.187 2.252 0.292 57 HB3 LYS 8 1HB LYS 8 -6.798 2.135 0.984 58 HG2 LYS 8 2HG LYS 8 -6.820 4.514 1.440 59 HG3 LYS 8 1HG LYS 8 -5.150 4.661 0.886 60 HD2 LYS 8 2HD LYS 8 -5.867 3.883 -1.362 61 HD3 LYS 8 1HD LYS 8 -7.536 3.849 -0.789 62 HE2 LYS 8 2HE LYS 8 -5.759 6.290 -0.934 63 HE3 LYS 8 1HE LYS 8 -7.059 5.893 -2.056 64 HZ1 LYS 8 3HZ LYS 8 -7.864 7.468 -0.481 65 HZ2 LYS 8 1HZ LYS 8 -7.337 6.537 0.827 66 HZ3 LYS 8 2HZ LYS 8 -8.603 5.987 -0.146 67 HA PRO 9 HA PRO 9 -4.520 -1.621 3.735 68 HB2 PRO 9 2HB PRO 9 -7.219 -1.946 4.885 69 HB3 PRO 9 1HB PRO 9 -5.645 -2.243 5.626 70 HG2 PRO 9 2HG PRO 9 -7.192 -0.161 6.357 71 HG3 PRO 9 1HG PRO 9 -5.422 -0.055 6.343 72 HD2 PRO 9 2HD PRO 9 -7.400 0.985 4.342 73 HD3 PRO 9 1HD PRO 9 -5.922 1.747 4.968 74 H SER 10 H SER 10 -4.609 -2.834 1.900 75 HA SER 10 HA SER 10 -7.245 -3.534 0.798 76 HB2 SER 10 2HB SER 10 -6.417 -1.606 -0.526 77 HB3 SER 10 1HB SER 10 -4.952 -2.506 -0.906 78 HG SER 10 HG SER 10 -7.152 -2.505 -2.270 79 H THR 11 H THR 11 -6.658 -5.091 -1.267 80 HA THR 11 HA THR 11 -4.358 -6.768 -0.821 81 HB THR 11 HB THR 11 -5.761 -7.770 0.881 82 HG1 THR 11 HG1 THR 11 -5.874 -9.922 -0.028 83 HG21 THR 11 3HG2 THR 11 -7.966 -7.060 0.085 84 HG22 THR 11 1HG2 THR 11 -7.930 -8.804 0.350 85 HG23 THR 11 2HG2 THR 11 -7.835 -8.158 -1.289 86 H VAL 12 H VAL 12 -3.666 -7.455 -2.729 87 HA VAL 12 HA VAL 12 -5.535 -7.539 -4.985 88 HB VAL 12 HB VAL 12 -3.484 -7.797 -6.407 89 HG11 VAL 12 1HG1 VAL 12 -3.535 -5.373 -4.593 90 HG12 VAL 12 2HG1 VAL 12 -4.517 -5.605 -6.040 91 HG13 VAL 12 3HG1 VAL 12 -2.765 -5.459 -6.179 92 HG21 VAL 12 3HG2 VAL 12 -1.974 -8.774 -4.743 93 HG22 VAL 12 1HG2 VAL 12 -2.020 -7.279 -3.806 94 HG23 VAL 12 2HG2 VAL 12 -1.292 -7.293 -5.412 95 H ASP 13 H ASP 13 -6.629 -9.421 -4.906 96 HA ASP 13 HA ASP 13 -5.317 -11.903 -4.180 97 HB2 ASP 13 2HB ASP 13 -7.686 -11.229 -3.504 98 HB3 ASP 13 1HB ASP 13 -8.160 -11.569 -5.166 99 H GLY 14 H GLY 14 -4.828 -13.600 -5.534 100 HA2 GLY 14 2HA GLY 14 -4.803 -14.787 -7.585 101 HA3 GLY 14 1HA GLY 14 -5.431 -13.363 -8.400 102 H ALA 15 H ALA 15 -2.901 -12.521 -6.332 103 HA ALA 15 HA ALA 15 -1.042 -12.318 -8.603 104 HB1 ALA 15 3HB ALA 15 0.118 -10.621 -7.279 105 HB2 ALA 15 1HB ALA 15 -0.976 -10.913 -5.927 106 HB3 ALA 15 2HB ALA 15 -1.596 -10.235 -7.431 107 H GLU 16 H GLU 16 0.040 -14.247 -8.700 108 HA GLU 16 HA GLU 16 0.911 -15.627 -6.333 109 HB2 GLU 16 2HB GLU 16 1.926 -17.262 -7.889 110 HB3 GLU 16 1HB GLU 16 0.228 -16.968 -8.216 111 HG2 GLU 16 2HG GLU 16 2.411 -15.585 -9.764 112 HG3 GLU 16 1HG GLU 16 1.803 -17.173 -10.216 113 H SER 17 H SER 17 2.188 -13.873 -5.456 114 HA SER 17 HA SER 17 4.130 -12.780 -4.958 115 HB2 SER 17 2HB SER 17 5.417 -15.178 -6.300 116 HB3 SER 17 1HB SER 17 6.229 -14.044 -5.223 117 HG SER 17 HG SER 17 5.044 -14.799 -3.518 118 H LEU 18 H LEU 18 3.428 -11.165 -6.614 119 HA LEU 18 HA LEU 18 4.896 -11.260 -9.139 120 HB2 LEU 18 2HB LEU 18 2.774 -9.354 -8.146 121 HB3 LEU 18 1HB LEU 18 3.527 -9.267 -9.727 122 HG LEU 18 HG LEU 18 1.773 -11.505 -8.696 123 HD11 LEU 18 1HD1 LEU 18 0.532 -9.501 -9.306 124 HD12 LEU 18 2HD1 LEU 18 0.244 -10.790 -10.473 125 HD13 LEU 18 3HD1 LEU 18 1.334 -9.463 -10.877 126 HD21 LEU 18 3HD2 LEU 18 3.539 -12.417 -10.109 127 HD22 LEU 18 1HD2 LEU 18 3.166 -11.235 -11.364 128 HD23 LEU 18 2HD2 LEU 18 1.985 -12.474 -10.939 129 H ASN 19 H ASN 19 6.395 -9.781 -9.796 130 HA ASN 19 HA ASN 19 7.835 -8.249 -7.872 131 HB2 ASN 19 2HB ASN 19 7.938 -7.882 -10.873 132 HB3 ASN 19 1HB ASN 19 9.199 -7.518 -9.700 133 HD21 ASN 19 1HD2 ASN 19 9.259 -9.217 -12.071 134 HD22 ASN 19 2HD2 ASN 19 9.743 -10.776 -11.522 135 H VAL 20 H VAL 20 8.167 -5.825 -8.076 136 HA VAL 20 HA VAL 20 5.771 -4.403 -7.880 137 HB VAL 20 HB VAL 20 8.469 -3.262 -8.647 138 HG11 VAL 20 1HG1 VAL 20 6.621 -1.713 -9.105 139 HG12 VAL 20 2HG1 VAL 20 7.612 -1.144 -7.761 140 HG13 VAL 20 3HG1 VAL 20 6.049 -1.899 -7.444 141 HG21 VAL 20 3HG2 VAL 20 8.594 -4.530 -6.569 142 HG22 VAL 20 1HG2 VAL 20 7.214 -3.642 -5.922 143 HG23 VAL 20 2HG2 VAL 20 8.731 -2.802 -6.241 144 H THR 21 H THR 21 7.928 -4.802 -10.680 145 HA THR 21 HA THR 21 6.527 -3.180 -12.501 146 HB THR 21 HB THR 21 8.146 -5.675 -13.101 147 HG1 THR 21 HG1 THR 21 9.745 -3.966 -13.619 148 HG21 THR 21 3HG2 THR 21 7.327 -3.385 -14.906 149 HG22 THR 21 1HG2 THR 21 6.732 -5.043 -15.001 150 HG23 THR 21 2HG2 THR 21 8.426 -4.694 -15.344 151 H GLU 22 H GLU 22 6.105 -6.626 -11.703 152 HA GLU 22 HA GLU 22 4.144 -7.135 -13.705 153 HB2 GLU 22 2HB GLU 22 4.619 -8.626 -11.112 154 HB3 GLU 22 1HB GLU 22 3.724 -9.228 -12.502 155 HG2 GLU 22 2HG GLU 22 5.821 -9.045 -13.845 156 HG3 GLU 22 1HG GLU 22 6.674 -8.633 -12.358 157 H LEU 23 H LEU 23 3.900 -6.369 -10.237 158 HA LEU 23 HA LEU 23 1.088 -6.333 -10.054 159 HB2 LEU 23 2HB LEU 23 2.731 -6.337 -8.156 160 HB3 LEU 23 1HB LEU 23 3.070 -4.653 -8.494 161 HG LEU 23 HG LEU 23 0.267 -5.543 -7.833 162 HD11 LEU 23 1HD1 LEU 23 1.674 -6.420 -6.052 163 HD12 LEU 23 2HD1 LEU 23 0.730 -5.048 -5.475 164 HD13 LEU 23 3HD1 LEU 23 2.439 -4.841 -5.856 165 HD21 LEU 23 3HD2 LEU 23 1.751 -2.936 -7.447 166 HD22 LEU 23 1HD2 LEU 23 0.074 -3.241 -6.991 167 HD23 LEU 23 2HD2 LEU 23 0.546 -3.272 -8.690 168 H LEU 24 H LEU 24 3.437 -3.867 -10.967 169 HA LEU 24 HA LEU 24 1.754 -1.672 -11.328 170 HB2 LEU 24 2HB LEU 24 4.185 -1.535 -11.377 171 HB3 LEU 24 1HB LEU 24 4.242 -2.493 -12.843 172 HG LEU 24 HG LEU 24 3.177 -0.686 -14.096 173 HD11 LEU 24 1HD1 LEU 24 1.786 0.262 -12.338 174 HD12 LEU 24 2HD1 LEU 24 2.796 1.505 -13.076 175 HD13 LEU 24 3HD1 LEU 24 3.223 0.844 -11.497 176 HD21 LEU 24 3HD2 LEU 24 5.559 0.197 -12.470 177 HD22 LEU 24 1HD2 LEU 24 5.014 0.952 -13.968 178 HD23 LEU 24 2HD2 LEU 24 5.592 -0.713 -13.980 179 H SER 25 H SER 25 2.409 -4.426 -13.442 180 HA SER 25 HA SER 25 0.793 -3.487 -15.622 181 HB2 SER 25 2HB SER 25 2.554 -5.149 -16.010 182 HB3 SER 25 1HB SER 25 1.725 -6.297 -14.957 183 HG SER 25 HG SER 25 1.410 -6.350 -17.400 184 H ALA 26 H ALA 26 0.200 -5.474 -12.764 185 HA ALA 26 HA ALA 26 -2.387 -6.397 -13.419 186 HB1 ALA 26 3HB ALA 26 -1.226 -5.858 -10.682 187 HB2 ALA 26 1HB ALA 26 -1.054 -7.353 -11.601 188 HB3 ALA 26 2HB ALA 26 -2.645 -6.848 -11.030 189 H LEU 27 H LEU 27 -1.277 -3.368 -12.004 190 HA LEU 27 HA LEU 27 -4.001 -2.324 -11.818 191 HB2 LEU 27 2HB LEU 27 -1.354 -0.910 -11.410 192 HB3 LEU 27 1HB LEU 27 -2.938 -0.270 -11.007 193 HG LEU 27 HG LEU 27 -1.583 -2.633 -9.685 194 HD11 LEU 27 1HD1 LEU 27 -0.599 -0.489 -9.063 195 HD12 LEU 27 2HD1 LEU 27 -1.491 -1.192 -7.715 196 HD13 LEU 27 3HD1 LEU 27 -2.195 0.135 -8.640 197 HD21 LEU 27 3HD2 LEU 27 -4.262 -1.358 -9.107 198 HD22 LEU 27 1HD2 LEU 27 -3.483 -2.598 -8.123 199 HD23 LEU 27 2HD2 LEU 27 -3.993 -2.971 -9.769 200 H LYS 28 H LYS 28 -1.222 -2.210 -13.885 201 HA LYS 28 HA LYS 28 -0.792 -1.453 -15.953 202 HB2 LYS 28 2HB LYS 28 -2.925 -2.856 -16.278 203 HB3 LYS 28 1HB LYS 28 -3.753 -1.316 -16.468 204 HG2 LYS 28 2HG LYS 28 -2.550 -0.782 -18.420 205 HG3 LYS 28 1HG LYS 28 -1.348 -2.039 -18.120 206 HD2 LYS 28 2HD LYS 28 -3.192 -3.734 -18.404 207 HD3 LYS 28 1HD LYS 28 -4.233 -2.412 -18.938 208 HE2 LYS 28 2HE LYS 28 -2.779 -1.956 -20.805 209 HE3 LYS 28 1HE LYS 28 -1.599 -3.133 -20.232 210 HZ1 LYS 28 3HZ LYS 28 -2.959 -4.016 -22.034 211 HZ2 LYS 28 1HZ LYS 28 -4.360 -3.768 -21.121 212 HZ3 LYS 28 2HZ LYS 28 -3.210 -4.889 -20.606 213 H VAL 29 H VAL 29 0.081 0.498 -15.287 214 HA VAL 29 HA VAL 29 -1.580 2.909 -15.431 215 HB VAL 29 HB VAL 29 1.356 2.588 -14.727 216 HG11 VAL 29 1HG1 VAL 29 0.894 4.837 -15.554 217 HG12 VAL 29 2HG1 VAL 29 1.204 4.867 -13.818 218 HG13 VAL 29 3HG1 VAL 29 -0.450 4.993 -14.420 219 HG21 VAL 29 3HG2 VAL 29 -1.045 2.963 -12.927 220 HG22 VAL 29 1HG2 VAL 29 0.640 2.940 -12.401 221 HG23 VAL 29 2HG2 VAL 29 -0.088 1.490 -13.094 222 H ALA 30 H ALA 30 -0.830 4.748 -16.796 223 HA ALA 30 HA ALA 30 -0.488 4.078 -19.480 224 HB1 ALA 30 3HB ALA 30 -1.400 6.225 -18.711 225 HB2 ALA 30 1HB ALA 30 -0.101 6.444 -19.885 226 HB3 ALA 30 2HB ALA 30 0.208 6.707 -18.169 227 H GLN 31 H GLN 31 1.985 5.756 -17.509 228 HA GLN 31 HA GLN 31 4.085 4.490 -19.143 229 HB2 GLN 31 2HB GLN 31 4.224 6.826 -17.218 230 HB3 GLN 31 1HB GLN 31 5.586 6.192 -18.134 231 HG2 GLN 31 2HG GLN 31 4.531 6.813 -20.215 232 HG3 GLN 31 1HG GLN 31 3.080 7.335 -19.362 233 HE21 GLN 31 1HE2 GLN 31 3.149 9.261 -18.171 234 HE22 GLN 31 2HE2 GLN 31 4.382 10.441 -18.428 235 H ALA 32 H ALA 32 5.578 3.097 -18.255 236 HA ALA 32 HA ALA 32 5.081 2.248 -15.469 237 HB1 ALA 32 3HB ALA 32 6.423 0.745 -17.722 238 HB2 ALA 32 1HB ALA 32 4.756 0.531 -17.189 239 HB3 ALA 32 2HB ALA 32 6.088 0.115 -16.110 240 H GLU 33 H GLU 33 7.800 2.575 -17.736 241 HA GLU 33 HA GLU 33 9.866 2.399 -15.832 242 HB2 GLU 33 2HB GLU 33 11.333 3.271 -17.608 243 HB3 GLU 33 1HB GLU 33 10.270 2.006 -18.205 244 HG2 GLU 33 2HG GLU 33 9.728 4.953 -18.571 245 HG3 GLU 33 1HG GLU 33 10.597 3.967 -19.741 246 H TYR 34 H TYR 34 7.691 4.936 -16.375 247 HA TYR 34 HA TYR 34 9.518 6.966 -15.275 248 HB2 TYR 34 2HB TYR 34 6.799 7.249 -16.570 249 HB3 TYR 34 1HB TYR 34 7.721 8.590 -15.901 250 HD1 TYR 34 HD1 TYR 34 9.925 9.201 -16.956 251 HD2 TYR 34 HD2 TYR 34 7.256 6.413 -18.744 252 HE1 TYR 34 HE1 TYR 34 11.069 9.496 -19.111 253 HE2 TYR 34 HE2 TYR 34 8.395 6.695 -20.903 254 HH TYR 34 HH TYR 34 9.778 8.404 -22.047 255 H VAL 35 H VAL 35 7.539 4.722 -13.987 256 HA VAL 35 HA VAL 35 5.905 6.313 -12.244 257 HB VAL 35 HB VAL 35 6.597 3.366 -12.147 258 HG11 VAL 35 1HG1 VAL 35 4.552 4.893 -10.523 259 HG12 VAL 35 2HG1 VAL 35 6.003 4.103 -9.905 260 HG13 VAL 35 3HG1 VAL 35 4.697 3.137 -10.589 261 HG21 VAL 35 3HG2 VAL 35 4.094 4.796 -13.050 262 HG22 VAL 35 1HG2 VAL 35 4.338 3.048 -13.019 263 HG23 VAL 35 2HG2 VAL 35 5.298 4.055 -14.105 264 H THR 36 H THR 36 6.252 6.999 -10.195 265 HA THR 36 HA THR 36 8.760 6.210 -8.837 266 HB THR 36 HB THR 36 7.181 8.773 -8.464 267 HG1 THR 36 HG1 THR 36 8.728 9.729 -9.680 268 HG21 THR 36 3HG2 THR 36 8.295 8.068 -6.396 269 HG22 THR 36 1HG2 THR 36 9.080 9.493 -7.083 270 HG23 THR 36 2HG2 THR 36 9.821 7.904 -7.268 271 H VAL 37 H VAL 37 8.276 4.668 -7.371 272 HA VAL 37 HA VAL 37 6.070 5.195 -5.485 273 HB VAL 37 HB VAL 37 5.522 2.787 -5.401 274 HG11 VAL 37 1HG1 VAL 37 4.309 2.675 -7.549 275 HG12 VAL 37 2HG1 VAL 37 5.235 4.064 -8.121 276 HG13 VAL 37 3HG1 VAL 37 4.141 4.239 -6.750 277 HG21 VAL 37 3HG2 VAL 37 6.314 1.269 -7.147 278 HG22 VAL 37 1HG2 VAL 37 7.664 1.897 -6.200 279 HG23 VAL 37 2HG2 VAL 37 7.337 2.544 -7.808 280 H GLU 38 H GLU 38 6.237 4.023 -3.464 281 HA GLU 38 HA GLU 38 8.885 2.955 -2.805 282 HB2 GLU 38 2HB GLU 38 8.943 4.260 -0.702 283 HB3 GLU 38 1HB GLU 38 9.006 5.283 -2.129 284 HG2 GLU 38 2HG GLU 38 6.606 5.767 -1.863 285 HG3 GLU 38 1HG GLU 38 6.589 4.789 -0.394 286 H LEU 39 H LEU 39 8.828 1.923 -0.555 287 HA LEU 39 HA LEU 39 6.168 1.016 0.240 288 HB2 LEU 39 2HB LEU 39 6.766 -1.333 0.256 289 HB3 LEU 39 1HB LEU 39 6.894 -0.676 -1.361 290 HG LEU 39 HG LEU 39 9.279 -1.122 0.444 291 HD11 LEU 39 1HD1 LEU 39 8.169 -3.253 -0.030 292 HD12 LEU 39 2HD1 LEU 39 9.724 -3.135 -0.852 293 HD13 LEU 39 3HD1 LEU 39 8.229 -2.900 -1.758 294 HD21 LEU 39 3HD2 LEU 39 10.551 -0.959 -1.656 295 HD22 LEU 39 1HD2 LEU 39 9.668 0.525 -1.306 296 HD23 LEU 39 2HD2 LEU 39 9.058 -0.595 -2.523 297 H ASN 40 H ASN 40 5.939 0.978 2.369 298 HA ASN 40 HA ASN 40 6.380 1.031 4.600 299 HB2 ASN 40 2HB ASN 40 8.893 -0.474 3.800 300 HB3 ASN 40 1HB ASN 40 8.227 -0.375 5.431 301 HD21 ASN 40 1HD2 ASN 40 8.667 -2.668 3.550 302 HD22 ASN 40 2HD2 ASN 40 7.134 -3.457 3.448 303 H GLY 41 H GLY 41 7.469 3.113 2.703 304 HA2 GLY 41 2HA GLY 41 8.498 5.168 3.059 305 HA3 GLY 41 1HA GLY 41 9.066 4.589 4.616 306 H GLU 42 H GLU 42 9.613 3.643 1.196 307 HA GLU 42 HA GLU 42 12.386 4.367 1.274 308 HB2 GLU 42 2HB GLU 42 11.924 1.955 2.458 309 HB3 GLU 42 1HB GLU 42 12.150 1.442 0.794 310 HG2 GLU 42 2HG GLU 42 14.101 2.983 2.501 311 HG3 GLU 42 1HG GLU 42 14.239 1.307 1.978 312 H VAL 43 H VAL 43 12.997 4.857 -0.789 313 HA VAL 43 HA VAL 43 11.127 4.146 -2.942 314 HB VAL 43 HB VAL 43 11.584 6.533 -2.598 315 HG11 VAL 43 1HG1 VAL 43 13.879 6.387 -1.772 316 HG12 VAL 43 2HG1 VAL 43 13.767 7.502 -3.132 317 HG13 VAL 43 3HG1 VAL 43 14.436 5.886 -3.369 318 HG21 VAL 43 3HG2 VAL 43 10.962 5.773 -4.823 319 HG22 VAL 43 1HG2 VAL 43 12.655 5.472 -5.219 320 HG23 VAL 43 2HG2 VAL 43 12.094 7.121 -4.932 321 H LEU 44 H LEU 44 11.672 3.017 -4.748 322 HA LEU 44 HA LEU 44 14.380 1.839 -4.829 323 HB2 LEU 44 2HB LEU 44 11.674 0.715 -5.417 324 HB3 LEU 44 1HB LEU 44 13.049 0.071 -6.287 325 HG LEU 44 HG LEU 44 12.435 -1.277 -4.310 326 HD11 LEU 44 1HD1 LEU 44 15.149 0.034 -4.116 327 HD12 LEU 44 2HD1 LEU 44 14.726 -1.330 -5.150 328 HD13 LEU 44 3HD1 LEU 44 14.690 -1.511 -3.397 329 HD21 LEU 44 3HD2 LEU 44 11.652 0.545 -2.861 330 HD22 LEU 44 1HD2 LEU 44 13.312 1.125 -2.702 331 HD23 LEU 44 2HD2 LEU 44 12.864 -0.457 -2.063 332 H GLU 45 H GLU 45 15.129 1.121 -6.977 333 HA GLU 45 HA GLU 45 14.869 3.167 -8.981 334 HB2 GLU 45 2HB GLU 45 17.016 2.104 -8.597 335 HB3 GLU 45 1HB GLU 45 16.339 0.520 -8.942 336 HG2 GLU 45 2HG GLU 45 15.944 1.212 -11.271 337 HG3 GLU 45 1HG GLU 45 16.675 2.779 -10.913 338 H ARG 46 H ARG 46 14.077 2.873 -11.152 339 HA ARG 46 HA ARG 46 11.616 1.472 -11.245 340 HB2 ARG 46 2HB ARG 46 13.198 2.902 -13.374 341 HB3 ARG 46 1HB ARG 46 11.688 2.076 -13.742 342 HG2 ARG 46 2HG ARG 46 11.280 4.434 -13.391 343 HG3 ARG 46 1HG ARG 46 10.522 3.497 -12.103 344 HD2 ARG 46 2HD ARG 46 12.513 3.980 -10.676 345 HD3 ARG 46 1HD ARG 46 13.112 5.035 -11.953 346 HE ARG 46 HE ARG 46 10.563 5.911 -11.337 347 HH11 ARG 46 1HH1 ARG 46 13.594 5.551 -9.727 348 HH12 ARG 46 2HH1 ARG 46 13.290 6.865 -8.641 349 HH21 ARG 46 1HH2 ARG 46 10.221 7.634 -9.947 350 HH22 ARG 46 2HH2 ARG 46 11.430 8.024 -8.774 351 H GLU 47 H GLU 47 14.766 0.738 -12.753 352 HA GLU 47 HA GLU 47 13.918 -1.691 -13.952 353 HB2 GLU 47 2HB GLU 47 16.658 -0.761 -13.074 354 HB3 GLU 47 1HB GLU 47 16.380 -2.264 -13.948 355 HG2 GLU 47 2HG GLU 47 15.376 -0.947 -15.794 356 HG3 GLU 47 1HG GLU 47 15.802 0.529 -14.930 357 H ALA 48 H ALA 48 14.942 -0.879 -10.714 358 HA ALA 48 HA ALA 48 15.375 -3.509 -9.745 359 HB1 ALA 48 3HB ALA 48 15.229 -2.525 -7.519 360 HB2 ALA 48 1HB ALA 48 14.541 -1.050 -8.202 361 HB3 ALA 48 2HB ALA 48 16.199 -1.510 -8.587 362 H PHE 49 H PHE 49 12.480 -1.776 -10.483 363 HA PHE 49 HA PHE 49 10.654 -3.053 -8.758 364 HB2 PHE 49 2HB PHE 49 10.230 -1.957 -11.550 365 HB3 PHE 49 1HB PHE 49 8.931 -2.454 -10.470 366 HD1 PHE 49 HD1 PHE 49 10.756 -1.229 -8.048 367 HD2 PHE 49 HD2 PHE 49 9.020 0.226 -11.657 368 HE1 PHE 49 HE1 PHE 49 10.664 1.036 -7.092 369 HE2 PHE 49 HE2 PHE 49 8.935 2.491 -10.706 370 HZ PHE 49 HZ PHE 49 9.754 2.901 -8.423 371 H ASP 50 H ASP 50 12.105 -4.112 -11.786 372 HA ASP 50 HA ASP 50 10.438 -6.387 -12.187 373 HB2 ASP 50 2HB ASP 50 13.226 -5.743 -13.176 374 HB3 ASP 50 1HB ASP 50 12.311 -7.159 -13.686 375 H ALA 51 H ALA 51 13.417 -5.863 -10.373 376 HA ALA 51 HA ALA 51 13.781 -8.690 -9.831 377 HB1 ALA 51 3HB ALA 51 15.713 -7.201 -10.164 378 HB2 ALA 51 1HB ALA 51 15.756 -8.016 -8.600 379 HB3 ALA 51 2HB ALA 51 15.273 -6.322 -8.700 380 H THR 52 H THR 52 12.375 -5.930 -8.213 381 HA THR 52 HA THR 52 12.419 -7.131 -5.576 382 HB THR 52 HB THR 52 10.971 -4.632 -6.503 383 HG1 THR 52 HG1 THR 52 13.022 -4.031 -6.692 384 HG21 THR 52 3HG2 THR 52 11.713 -5.582 -3.726 385 HG22 THR 52 1HG2 THR 52 10.082 -5.516 -4.393 386 HG23 THR 52 2HG2 THR 52 10.982 -4.025 -4.117 387 H THR 53 H THR 53 11.044 -8.703 -5.039 388 HA THR 53 HA THR 53 8.420 -8.875 -6.333 389 HB THR 53 HB THR 53 9.830 -10.881 -4.557 390 HG1 THR 53 HG1 THR 53 9.390 -10.966 -7.378 391 HG21 THR 53 3HG2 THR 53 7.325 -11.182 -6.231 392 HG22 THR 53 1HG2 THR 53 7.389 -11.138 -4.467 393 HG23 THR 53 2HG2 THR 53 8.135 -12.473 -5.344 394 H VAL 54 H VAL 54 6.494 -8.803 -5.254 395 HA VAL 54 HA VAL 54 6.518 -7.586 -2.603 396 HB VAL 54 HB VAL 54 4.124 -8.101 -4.386 397 HG11 VAL 54 1HG1 VAL 54 4.552 -6.122 -2.146 398 HG12 VAL 54 2HG1 VAL 54 3.577 -7.588 -2.060 399 HG13 VAL 54 3HG1 VAL 54 3.095 -6.271 -3.131 400 HG21 VAL 54 3HG2 VAL 54 5.751 -6.794 -5.638 401 HG22 VAL 54 1HG2 VAL 54 5.911 -5.665 -4.293 402 HG23 VAL 54 2HG2 VAL 54 4.387 -5.778 -5.173 403 H LYS 55 H LYS 55 4.909 -8.323 -0.964 404 HA LYS 55 HA LYS 55 4.302 -11.194 -1.051 405 HB2 LYS 55 2HB LYS 55 5.277 -11.404 1.283 406 HB3 LYS 55 1HB LYS 55 6.446 -11.204 -0.015 407 HG2 LYS 55 2HG LYS 55 6.633 -8.816 0.521 408 HG3 LYS 55 1HG LYS 55 5.483 -9.032 1.844 409 HD2 LYS 55 2HD LYS 55 7.020 -10.538 2.976 410 HD3 LYS 55 1HD LYS 55 8.149 -10.444 1.621 411 HE2 LYS 55 2HE LYS 55 7.320 -8.147 3.406 412 HE3 LYS 55 1HE LYS 55 8.859 -9.005 3.467 413 HZ1 LYS 55 3HZ LYS 55 7.845 -7.334 1.231 414 HZ2 LYS 55 1HZ LYS 55 9.253 -8.268 1.155 415 HZ3 LYS 55 2HZ LYS 55 9.150 -6.985 2.250 416 H ASP 56 H ASP 56 3.037 -11.856 0.977 417 HA ASP 56 HA ASP 56 0.764 -10.148 1.209 418 HB2 ASP 56 2HB ASP 56 0.607 -12.622 1.267 419 HB3 ASP 56 1HB ASP 56 1.459 -12.631 2.809 420 H GLY 57 H GLY 57 0.728 -8.367 2.413 421 HA2 GLY 57 2HA GLY 57 0.724 -7.223 4.497 422 HA3 GLY 57 1HA GLY 57 1.870 -8.399 5.126 423 H ASP 58 H ASP 58 2.053 -6.605 2.087 424 HA ASP 58 HA ASP 58 4.441 -5.182 3.089 425 HB2 ASP 58 2HB ASP 58 4.646 -7.127 1.288 426 HB3 ASP 58 1HB ASP 58 4.135 -5.863 0.177 427 H ALA 59 H ALA 59 4.913 -3.243 1.441 428 HA ALA 59 HA ALA 59 2.336 -1.831 1.121 429 HB1 ALA 59 3HB ALA 59 5.047 -0.628 1.666 430 HB2 ALA 59 1HB ALA 59 3.783 -0.894 2.867 431 HB3 ALA 59 2HB ALA 59 3.520 0.247 1.546 432 H VAL 60 H VAL 60 1.861 -0.744 -0.728 433 HA VAL 60 HA VAL 60 3.948 -0.471 -2.790 434 HB VAL 60 HB VAL 60 2.224 -0.829 -4.561 435 HG11 VAL 60 1HG1 VAL 60 3.751 -2.632 -3.951 436 HG12 VAL 60 2HG1 VAL 60 2.173 -3.280 -4.396 437 HG13 VAL 60 3HG1 VAL 60 2.635 -3.175 -2.697 438 HG21 VAL 60 3HG2 VAL 60 0.121 -1.993 -3.963 439 HG22 VAL 60 1HG2 VAL 60 0.202 -0.358 -3.303 440 HG23 VAL 60 2HG2 VAL 60 0.493 -1.749 -2.256 441 H GLU 61 H GLU 61 4.124 1.643 -1.713 442 HA GLU 61 HA GLU 61 1.854 3.369 -1.554 443 HB2 GLU 61 2HB GLU 61 4.801 3.988 -1.213 444 HB3 GLU 61 1HB GLU 61 3.477 5.066 -0.781 445 HG2 GLU 61 2HG GLU 61 2.662 3.443 0.849 446 HG3 GLU 61 1HG GLU 61 3.952 2.333 0.410 447 H PHE 62 H PHE 62 1.110 3.340 -3.695 448 HA PHE 62 HA PHE 62 2.596 4.513 -5.845 449 HB2 PHE 62 2HB PHE 62 -0.061 3.303 -5.456 450 HB3 PHE 62 1HB PHE 62 -0.040 4.598 -6.644 451 HD1 PHE 62 HD2 PHE 62 1.411 4.449 -8.609 452 HD2 PHE 62 HD1 PHE 62 0.933 1.191 -5.915 453 HE1 PHE 62 HE2 PHE 62 2.295 2.909 -10.321 454 HE2 PHE 62 HE1 PHE 62 1.821 -0.356 -7.613 455 HZ PHE 62 HZ PHE 62 2.503 0.508 -9.823 456 H LEU 63 H LEU 63 3.213 6.619 -5.289 457 HA LEU 63 HA LEU 63 1.213 8.426 -4.266 458 HB2 LEU 63 2HB LEU 63 3.092 10.142 -4.374 459 HB3 LEU 63 1HB LEU 63 3.268 8.819 -3.243 460 HG LEU 63 HG LEU 63 4.537 8.488 -5.926 461 HD11 LEU 63 1HD1 LEU 63 5.678 10.282 -3.777 462 HD12 LEU 63 2HD1 LEU 63 5.137 10.785 -5.379 463 HD13 LEU 63 3HD1 LEU 63 6.536 9.725 -5.216 464 HD21 LEU 63 3HD2 LEU 63 6.256 7.358 -4.603 465 HD22 LEU 63 1HD2 LEU 63 4.661 6.698 -4.247 466 HD23 LEU 63 2HD2 LEU 63 5.426 7.810 -3.114 467 H TYR 64 H TYR 64 -0.266 8.515 -5.940 468 HA TYR 64 HA TYR 64 -1.362 9.709 -7.508 469 HB2 TYR 64 2HB TYR 64 1.150 11.387 -7.531 470 HB3 TYR 64 1HB TYR 64 -0.306 11.794 -8.438 471 HD1 TYR 64 HD1 TYR 64 -2.328 12.552 -7.284 472 HD2 TYR 64 HD2 TYR 64 1.187 11.568 -5.081 473 HE1 TYR 64 HE1 TYR 64 -3.271 13.641 -5.291 474 HE2 TYR 64 HE2 TYR 64 0.250 12.661 -3.090 475 HH TYR 64 HH TYR 64 -3.023 13.594 -2.870 476 H PHE 65 H PHE 65 1.688 8.295 -8.379 477 HA PHE 65 HA PHE 65 1.326 8.464 -11.212 478 HB2 PHE 65 2HB PHE 65 3.021 6.624 -9.507 479 HB3 PHE 65 1HB PHE 65 3.017 6.573 -11.266 480 HD1 PHE 65 HD2 PHE 65 3.810 8.686 -8.338 481 HD2 PHE 65 HD1 PHE 65 4.255 8.141 -12.539 482 HE1 PHE 65 HE2 PHE 65 5.532 10.444 -8.381 483 HE2 PHE 65 HE1 PHE 65 5.978 9.894 -12.586 484 HZ PHE 65 HZ PHE 65 6.623 11.043 -10.507 485 H MET 66 H MET 66 -0.984 7.890 -11.208 486 HA MET 66 HA MET 66 -1.429 4.960 -11.169 487 HB2 MET 66 2HB MET 66 -3.435 7.152 -10.574 488 HB3 MET 66 1HB MET 66 -3.758 5.423 -10.543 489 HG2 MET 66 2HG MET 66 -2.280 5.132 -8.662 490 HG3 MET 66 1HG MET 66 -1.785 6.822 -8.743 491 HE1 MET 66 3HE MET 66 -2.321 7.105 -6.151 492 HE2 MET 66 1HE MET 66 -2.827 5.419 -6.058 493 HE3 MET 66 2HE MET 66 -3.871 6.690 -5.422 494 H GLY 67 H GLY 67 -2.064 7.981 -12.869 495 HA2 GLY 67 2HA GLY 67 -2.114 7.743 -15.356 496 HA3 GLY 67 1HA GLY 67 -3.265 6.441 -15.100 497 H GLY 68 H GLY 68 -4.657 7.822 -12.943 498 HA2 GLY 68 2HA GLY 68 -6.194 9.483 -12.519 499 HA3 GLY 68 1HA GLY 68 -5.513 10.398 -13.852 500 H GLY 69 H GLY 69 -6.267 9.890 -16.029 501 HA2 GLY 69 2HA GLY 69 -9.153 9.576 -15.940 502 HA3 GLY 69 1HA GLY 69 -8.204 10.130 -17.304 503 H LYS 70 H LYS 70 -8.108 7.069 -15.454 504 HA LYS 70 HA LYS 70 -8.052 5.522 -17.890 505 HB2 LYS 70 2HB LYS 70 -8.266 4.686 -14.988 506 HB3 LYS 70 1HB LYS 70 -8.151 3.557 -16.332 507 HG2 LYS 70 2HG LYS 70 -5.958 4.617 -16.930 508 HG3 LYS 70 1HG LYS 70 -6.074 5.549 -15.434 509 HD2 LYS 70 2HD LYS 70 -4.682 3.565 -15.109 510 HD3 LYS 70 1HD LYS 70 -6.151 3.458 -14.139 511 HE2 LYS 70 2HE LYS 70 -7.163 1.994 -15.828 512 HE3 LYS 70 1HE LYS 70 -5.701 2.106 -16.808 513 HZ1 LYS 70 3HZ LYS 70 -5.844 0.954 -14.071 514 HZ2 LYS 70 1HZ LYS 70 -4.474 1.000 -15.061 515 HZ3 LYS 70 2HZ LYS 70 -5.805 0.060 -15.504 516 H LEU 71 H LEU 71 -9.673 4.144 -18.682 517 HA LEU 71 HA LEU 71 -12.349 5.061 -18.340 518 HB2 LEU 71 2HB LEU 71 -11.336 2.572 -19.732 519 HB3 LEU 71 1HB LEU 71 -12.952 3.239 -19.889 520 HG LEU 71 HG LEU 71 -10.392 4.578 -20.796 521 HD11 LEU 71 1HD1 LEU 71 -12.630 3.308 -22.374 522 HD12 LEU 71 2HD1 LEU 71 -10.982 2.700 -22.211 523 HD13 LEU 71 3HD1 LEU 71 -11.281 4.219 -23.056 524 HD21 LEU 71 3HD2 LEU 71 -12.008 6.237 -20.076 525 HD22 LEU 71 1HD2 LEU 71 -13.266 5.474 -21.049 526 HD23 LEU 71 2HD2 LEU 71 -11.883 6.238 -21.833 527 H GLU 72 H GLU 72 -13.564 4.628 -16.608 528 HA GLU 72 HA GLU 72 -13.099 2.322 -14.936 529 HB2 GLU 72 2HB GLU 72 -13.715 4.505 -13.963 530 HB3 GLU 72 1HB GLU 72 -15.267 4.437 -14.788 531 HG2 GLU 72 2HG GLU 72 -15.793 2.367 -13.508 532 HG3 GLU 72 1HG GLU 72 -14.290 2.584 -12.618 533 H HIS 73 H HIS 73 -14.645 0.682 -14.446 534 HA HIS 73 HA HIS 73 -16.077 -0.482 -16.516 535 HB2 HIS 73 2HB HIS 73 -17.298 -1.717 -14.633 536 HB3 HIS 73 1HB HIS 73 -15.543 -1.843 -14.654 537 HD1 HIS 73 HD1 HIS 73 -14.370 -1.259 -12.546 538 HD2 HIS 73 HD2 HIS 73 -18.255 0.209 -12.607 539 HE1 HIS 73 HE1 HIS 73 -14.754 -0.281 -10.268 540 HE2 HIS 73 HE2 HIS 73 -17.054 0.727 -10.378 541 H HIS 74 H HIS 74 -17.926 0.067 -17.530 542 HA HIS 74 HA HIS 74 -19.987 1.542 -16.006 543 HB2 HIS 74 2HB HIS 74 -19.294 1.842 -18.941 544 HB3 HIS 74 1HB HIS 74 -20.696 2.575 -18.169 545 HD1 HIS 74 HD1 HIS 74 -20.097 4.326 -16.195 546 HD2 HIS 74 HD2 HIS 74 -17.024 3.352 -18.815 547 HE1 HIS 74 HE1 HIS 74 -18.364 6.112 -15.892 548 HE2 HIS 74 HE2 HIS 74 -16.462 5.426 -17.385 549 H HIS 75 H HIS 75 -20.854 -0.525 -15.424 550 HA HIS 75 HA HIS 75 -22.373 -1.820 -17.608 551 HB2 HIS 75 2HB HIS 75 -21.348 -3.131 -15.070 552 HB3 HIS 75 1HB HIS 75 -22.244 -3.927 -16.359 553 HD1 HIS 75 HD1 HIS 75 -18.971 -3.749 -15.167 554 HD2 HIS 75 HD2 HIS 75 -20.616 -3.442 -18.970 555 HE1 HIS 75 HE1 HIS 75 -17.095 -4.258 -16.753 556 HE2 HIS 75 HE2 HIS 75 -18.145 -4.210 -19.035 557 H HIS 76 H HIS 76 -24.506 -2.555 -17.107 558 HA HIS 76 HA HIS 76 -25.932 -0.833 -15.324 559 HB2 HIS 76 2HB HIS 76 -26.795 -3.166 -17.033 560 HB3 HIS 76 1HB HIS 76 -27.919 -2.270 -16.015 561 HD1 HIS 76 HD1 HIS 76 -25.982 -2.021 -19.191 562 HD2 HIS 76 HD2 HIS 76 -28.506 0.345 -16.891 563 HE1 HIS 76 HE1 HIS 76 -26.591 -0.071 -20.648 564 HE2 HIS 76 HE2 HIS 76 -28.054 1.383 -19.215 565 H HIS 77 H HIS 77 -26.957 -1.276 -13.403 566 HA HIS 77 HA HIS 77 -25.602 -3.222 -11.785 567 HB2 HIS 77 2HB HIS 77 -26.132 -0.931 -11.004 568 HB3 HIS 77 1HB HIS 77 -27.845 -1.331 -11.042 569 HD1 HIS 77 HD1 HIS 77 -24.697 -2.011 -9.130 570 HD2 HIS 77 HD2 HIS 77 -28.764 -2.817 -8.870 571 HE1 HIS 77 HE1 HIS 77 -25.052 -2.934 -6.822 572 HE2 HIS 77 HE2 HIS 77 -27.509 -3.442 -6.694 573 H HIS 78 H HIS 78 -26.288 -5.145 -11.073 574 HA HIS 78 HA HIS 78 -28.762 -6.277 -12.039 575 HB2 HIS 78 2HB HIS 78 -26.568 -7.397 -10.282 576 HB3 HIS 78 1HB HIS 78 -27.967 -8.325 -10.812 577 HD1 HIS 78 HD1 HIS 78 -26.647 -9.984 -12.213 578 HD2 HIS 78 HD2 HIS 78 -26.002 -6.032 -13.330 579 HE1 HIS 78 HE1 HIS 78 -25.390 -10.092 -14.385 580 HE2 HIS 78 HE2 HIS 78 -25.184 -7.702 -15.129 Start of MODEL 7 1 H1 MET 1 1H MET 1 -2.979 -10.660 -3.598 2 H2 MET 1 2H MET 1 -3.723 -11.538 -2.359 3 H3 MET 1 3H MET 1 -2.346 -12.155 -3.121 4 HA MET 1 HA MET 1 -1.845 -11.271 -0.929 5 HB2 MET 1 2HB MET 1 0.066 -9.868 -1.592 6 HB3 MET 1 1HB MET 1 -0.098 -11.267 -2.643 7 HG2 MET 1 2HG MET 1 -1.037 -9.924 -4.391 8 HG3 MET 1 1HG MET 1 -1.117 -8.522 -3.333 9 HE1 MET 1 3HE MET 1 2.842 -10.350 -4.843 10 HE2 MET 1 1HE MET 1 1.251 -10.988 -5.267 11 HE3 MET 1 2HE MET 1 1.840 -11.114 -3.610 12 H ASN 2 H ASN 2 -2.057 -9.692 0.596 13 HA ASN 2 HA ASN 2 -3.786 -7.416 -0.043 14 HB2 ASN 2 2HB ASN 2 -2.856 -8.576 2.599 15 HB3 ASN 2 1HB ASN 2 -3.891 -7.159 2.454 16 HD21 ASN 2 1HD2 ASN 2 -5.541 -8.208 3.593 17 HD22 ASN 2 2HD2 ASN 2 -6.499 -9.447 2.867 18 H LEU 3 H LEU 3 -2.925 -5.455 -0.430 19 HA LEU 3 HA LEU 3 -0.238 -4.842 0.649 20 HB2 LEU 3 2HB LEU 3 -1.515 -3.602 -1.798 21 HB3 LEU 3 1HB LEU 3 0.117 -3.339 -1.222 22 HG LEU 3 HG LEU 3 0.375 -4.751 -3.063 23 HD11 LEU 3 1HD1 LEU 3 0.310 -6.600 -0.685 24 HD12 LEU 3 2HD1 LEU 3 1.638 -5.523 -1.125 25 HD13 LEU 3 3HD1 LEU 3 1.195 -6.856 -2.190 26 HD21 LEU 3 3HD2 LEU 3 -1.871 -6.485 -2.038 27 HD22 LEU 3 1HD2 LEU 3 -0.943 -6.735 -3.516 28 HD23 LEU 3 2HD2 LEU 3 -1.988 -5.324 -3.361 29 H THR 4 H THR 4 -0.170 -3.280 2.156 30 HA THR 4 HA THR 4 -2.434 -1.567 2.661 31 HB THR 4 HB THR 4 0.343 -1.432 3.885 32 HG1 THR 4 HG1 THR 4 -0.574 -2.732 5.540 33 HG21 THR 4 3HG2 THR 4 -0.795 -0.312 5.751 34 HG22 THR 4 1HG2 THR 4 -2.322 -0.392 4.872 35 HG23 THR 4 2HG2 THR 4 -0.996 0.593 4.249 36 H VAL 5 H VAL 5 -2.575 -0.468 0.620 37 HA VAL 5 HA VAL 5 -0.349 0.891 -0.539 38 HB VAL 5 HB VAL 5 -1.997 1.846 -2.134 39 HG11 VAL 5 1HG1 VAL 5 -0.996 -0.343 -2.555 40 HG12 VAL 5 2HG1 VAL 5 -2.655 -0.287 -3.149 41 HG13 VAL 5 3HG1 VAL 5 -2.288 -1.122 -1.640 42 HG21 VAL 5 3HG2 VAL 5 -4.031 0.381 -0.435 43 HG22 VAL 5 1HG2 VAL 5 -4.352 1.092 -2.017 44 HG23 VAL 5 2HG2 VAL 5 -3.913 2.126 -0.660 45 H ASN 6 H ASN 6 0.480 2.791 -0.040 46 HA ASN 6 HA ASN 6 0.805 4.862 0.833 47 HB2 ASN 6 2HB ASN 6 -2.139 5.188 0.199 48 HB3 ASN 6 1HB ASN 6 -1.014 6.504 0.534 49 HD21 ASN 6 1HD2 ASN 6 0.620 6.956 -0.993 50 HD22 ASN 6 2HD2 ASN 6 0.447 6.479 -2.634 51 H GLY 7 H GLY 7 -0.155 2.660 2.645 52 HA2 GLY 7 2HA GLY 7 -0.226 2.679 5.001 53 HA3 GLY 7 1HA GLY 7 -0.760 4.349 4.963 54 H LYS 8 H LYS 8 -2.611 2.670 2.761 55 HA LYS 8 HA LYS 8 -4.711 2.098 4.758 56 HB2 LYS 8 2HB LYS 8 -5.106 2.945 1.874 57 HB3 LYS 8 1HB LYS 8 -6.379 2.632 3.044 58 HG2 LYS 8 2HG LYS 8 -6.262 4.941 3.035 59 HG3 LYS 8 1HG LYS 8 -5.268 4.518 4.428 60 HD2 LYS 8 2HD LYS 8 -3.253 4.679 2.934 61 HD3 LYS 8 1HD LYS 8 -4.310 5.298 1.667 62 HE2 LYS 8 2HE LYS 8 -3.240 7.151 2.776 63 HE3 LYS 8 1HE LYS 8 -4.958 7.162 3.175 64 HZ1 LYS 8 3HZ LYS 8 -4.441 6.146 5.300 65 HZ2 LYS 8 1HZ LYS 8 -3.577 7.586 5.114 66 HZ3 LYS 8 2HZ LYS 8 -2.796 6.102 4.918 67 HA PRO 9 HA PRO 9 -4.145 -2.184 3.558 68 HB2 PRO 9 2HB PRO 9 -6.928 -2.360 4.640 69 HB3 PRO 9 1HB PRO 9 -5.511 -3.352 5.010 70 HG2 PRO 9 2HG PRO 9 -6.324 -1.507 6.732 71 HG3 PRO 9 1HG PRO 9 -4.591 -1.740 6.422 72 HD2 PRO 9 2HD PRO 9 -6.422 0.410 5.423 73 HD3 PRO 9 1HD PRO 9 -4.733 0.526 5.960 74 H SER 10 H SER 10 -4.346 -2.928 1.560 75 HA SER 10 HA SER 10 -6.992 -2.967 0.260 76 HB2 SER 10 2HB SER 10 -5.754 -1.171 -0.846 77 HB3 SER 10 1HB SER 10 -4.375 -2.242 -1.101 78 HG SER 10 HG SER 10 -6.280 -1.862 -2.772 79 H THR 11 H THR 11 -6.802 -4.576 -1.761 80 HA THR 11 HA THR 11 -4.982 -6.778 -1.300 81 HB THR 11 HB THR 11 -6.522 -7.355 0.437 82 HG1 THR 11 HG1 THR 11 -6.497 -9.363 -0.220 83 HG21 THR 11 3HG2 THR 11 -8.729 -7.113 -1.622 84 HG22 THR 11 1HG2 THR 11 -8.454 -6.023 -0.261 85 HG23 THR 11 2HG2 THR 11 -8.929 -7.697 0.029 86 H VAL 12 H VAL 12 -4.522 -7.746 -3.145 87 HA VAL 12 HA VAL 12 -6.565 -7.837 -5.274 88 HB VAL 12 HB VAL 12 -4.667 -8.128 -6.894 89 HG11 VAL 12 1HG1 VAL 12 -4.653 -5.562 -5.290 90 HG12 VAL 12 2HG1 VAL 12 -5.757 -5.959 -6.607 91 HG13 VAL 12 3HG1 VAL 12 -4.036 -5.753 -6.934 92 HG21 VAL 12 3HG2 VAL 12 -2.941 -8.908 -5.352 93 HG22 VAL 12 1HG2 VAL 12 -2.961 -7.355 -4.517 94 HG23 VAL 12 2HG2 VAL 12 -2.405 -7.451 -6.188 95 H ASP 13 H ASP 13 -7.504 -9.754 -5.282 96 HA ASP 13 HA ASP 13 -6.317 -12.092 -4.119 97 HB2 ASP 13 2HB ASP 13 -8.696 -11.639 -3.879 98 HB3 ASP 13 1HB ASP 13 -8.913 -11.689 -5.625 99 H GLY 14 H GLY 14 -5.076 -13.563 -5.104 100 HA2 GLY 14 2HA GLY 14 -4.964 -15.184 -6.978 101 HA3 GLY 14 1HA GLY 14 -5.255 -13.830 -8.058 102 H ALA 15 H ALA 15 -3.451 -12.027 -6.632 103 HA ALA 15 HA ALA 15 -1.009 -12.731 -7.965 104 HB1 ALA 15 3HB ALA 15 -1.760 -10.414 -7.839 105 HB2 ALA 15 1HB ALA 15 -0.173 -10.597 -7.093 106 HB3 ALA 15 2HB ALA 15 -1.610 -10.448 -6.082 107 H GLU 16 H GLU 16 0.726 -13.769 -7.183 108 HA GLU 16 HA GLU 16 1.123 -13.952 -4.283 109 HB2 GLU 16 2HB GLU 16 -0.067 -15.990 -4.866 110 HB3 GLU 16 1HB GLU 16 1.061 -16.315 -6.175 111 HG2 GLU 16 2HG GLU 16 2.868 -16.611 -4.548 112 HG3 GLU 16 1HG GLU 16 1.739 -16.284 -3.235 113 H SER 17 H SER 17 2.986 -12.912 -4.072 114 HA SER 17 HA SER 17 5.241 -12.624 -3.954 115 HB2 SER 17 2HB SER 17 5.304 -15.382 -5.205 116 HB3 SER 17 1HB SER 17 6.707 -14.562 -4.521 117 HG SER 17 HG SER 17 5.362 -16.123 -3.175 118 H LEU 18 H LEU 18 3.784 -11.809 -6.473 119 HA LEU 18 HA LEU 18 5.749 -12.097 -8.566 120 HB2 LEU 18 2HB LEU 18 4.279 -10.373 -9.753 121 HB3 LEU 18 1HB LEU 18 3.601 -11.951 -9.429 122 HG LEU 18 HG LEU 18 2.397 -10.975 -7.460 123 HD11 LEU 18 1HD1 LEU 18 3.818 -9.040 -7.031 124 HD12 LEU 18 2HD1 LEU 18 2.147 -8.552 -7.304 125 HD13 LEU 18 3HD1 LEU 18 3.347 -8.337 -8.580 126 HD21 LEU 18 3HD2 LEU 18 1.824 -9.729 -10.150 127 HD22 LEU 18 1HD2 LEU 18 0.691 -9.829 -8.802 128 HD23 LEU 18 2HD2 LEU 18 1.262 -11.303 -9.584 129 H ASN 19 H ASN 19 6.786 -10.269 -9.645 130 HA ASN 19 HA ASN 19 7.963 -8.458 -7.711 131 HB2 ASN 19 2HB ASN 19 9.418 -7.790 -9.649 132 HB3 ASN 19 1HB ASN 19 9.478 -9.503 -9.245 133 HD21 ASN 19 1HD2 ASN 19 8.762 -7.193 -11.651 134 HD22 ASN 19 2HD2 ASN 19 8.273 -8.308 -12.878 135 H VAL 20 H VAL 20 8.188 -6.126 -8.124 136 HA VAL 20 HA VAL 20 5.705 -4.899 -8.158 137 HB VAL 20 HB VAL 20 8.350 -3.572 -8.787 138 HG11 VAL 20 1HG1 VAL 20 5.759 -2.374 -7.782 139 HG12 VAL 20 2HG1 VAL 20 6.452 -2.147 -9.387 140 HG13 VAL 20 3HG1 VAL 20 7.286 -1.510 -7.969 141 HG21 VAL 20 3HG2 VAL 20 8.438 -4.777 -6.674 142 HG22 VAL 20 1HG2 VAL 20 6.946 -3.997 -6.144 143 HG23 VAL 20 2HG2 VAL 20 8.408 -3.038 -6.382 144 H THR 21 H THR 21 7.934 -5.304 -10.893 145 HA THR 21 HA THR 21 6.774 -3.619 -12.765 146 HB THR 21 HB THR 21 7.796 -6.390 -13.442 147 HG1 THR 21 HG1 THR 21 9.826 -5.049 -13.746 148 HG21 THR 21 3HG2 THR 21 7.760 -3.796 -15.003 149 HG22 THR 21 1HG2 THR 21 6.753 -5.211 -15.311 150 HG23 THR 21 2HG2 THR 21 8.498 -5.304 -15.544 151 H GLU 22 H GLU 22 5.796 -6.939 -11.923 152 HA GLU 22 HA GLU 22 3.622 -6.898 -13.834 153 HB2 GLU 22 2HB GLU 22 4.431 -8.947 -11.765 154 HB3 GLU 22 1HB GLU 22 3.063 -9.141 -12.859 155 HG2 GLU 22 2HG GLU 22 4.742 -8.748 -14.746 156 HG3 GLU 22 1HG GLU 22 5.986 -9.016 -13.528 157 H LEU 23 H LEU 23 3.972 -6.511 -10.330 158 HA LEU 23 HA LEU 23 1.272 -6.395 -9.614 159 HB2 LEU 23 2HB LEU 23 3.331 -6.232 -8.106 160 HB3 LEU 23 1HB LEU 23 3.407 -4.536 -8.537 161 HG LEU 23 HG LEU 23 0.962 -5.753 -7.228 162 HD11 LEU 23 1HD1 LEU 23 3.340 -4.468 -5.877 163 HD12 LEU 23 2HD1 LEU 23 2.860 -6.163 -5.765 164 HD13 LEU 23 3HD1 LEU 23 1.819 -4.908 -5.093 165 HD21 LEU 23 3HD2 LEU 23 0.604 -3.586 -8.303 166 HD22 LEU 23 1HD2 LEU 23 1.962 -2.902 -7.407 167 HD23 LEU 23 2HD2 LEU 23 0.516 -3.436 -6.550 168 H LEU 24 H LEU 24 3.390 -3.862 -10.899 169 HA LEU 24 HA LEU 24 1.530 -1.774 -11.097 170 HB2 LEU 24 2HB LEU 24 4.035 -1.651 -11.369 171 HB3 LEU 24 1HB LEU 24 3.840 -2.351 -12.963 172 HG LEU 24 HG LEU 24 2.421 -0.366 -13.582 173 HD11 LEU 24 1HD1 LEU 24 3.456 0.736 -10.968 174 HD12 LEU 24 2HD1 LEU 24 1.780 0.292 -11.306 175 HD13 LEU 24 3HD1 LEU 24 2.535 1.621 -12.187 176 HD21 LEU 24 3HD2 LEU 24 4.786 -0.522 -14.219 177 HD22 LEU 24 1HD2 LEU 24 5.247 0.237 -12.695 178 HD23 LEU 24 2HD2 LEU 24 4.314 1.143 -13.885 179 H SER 25 H SER 25 2.448 -4.299 -13.426 180 HA SER 25 HA SER 25 0.717 -3.558 -15.527 181 HB2 SER 25 2HB SER 25 2.557 -5.090 -15.923 182 HB3 SER 25 1HB SER 25 1.868 -6.269 -14.807 183 HG SER 25 HG SER 25 1.330 -6.882 -16.880 184 H ALA 26 H ALA 26 0.134 -5.363 -12.588 185 HA ALA 26 HA ALA 26 -2.265 -6.656 -13.297 186 HB1 ALA 26 3HB ALA 26 -1.009 -7.255 -11.296 187 HB2 ALA 26 1HB ALA 26 -2.673 -6.839 -10.884 188 HB3 ALA 26 2HB ALA 26 -1.373 -5.686 -10.580 189 H LEU 27 H LEU 27 -1.648 -3.409 -12.029 190 HA LEU 27 HA LEU 27 -4.454 -2.693 -11.973 191 HB2 LEU 27 2HB LEU 27 -1.916 -1.091 -11.633 192 HB3 LEU 27 1HB LEU 27 -3.503 -0.346 -11.642 193 HG LEU 27 HG LEU 27 -4.120 -1.764 -9.668 194 HD11 LEU 27 1HD1 LEU 27 -1.183 -2.450 -9.617 195 HD12 LEU 27 2HD1 LEU 27 -2.495 -3.567 -9.995 196 HD13 LEU 27 3HD1 LEU 27 -2.377 -2.860 -8.385 197 HD21 LEU 27 3HD2 LEU 27 -1.726 0.035 -9.290 198 HD22 LEU 27 1HD2 LEU 27 -2.885 -0.433 -8.045 199 HD23 LEU 27 2HD2 LEU 27 -3.406 0.560 -9.407 200 H LYS 28 H LYS 28 -2.332 -3.194 -14.429 201 HA LYS 28 HA LYS 28 -2.338 -2.790 -16.656 202 HB2 LYS 28 2HB LYS 28 -4.826 -3.201 -16.263 203 HB3 LYS 28 1HB LYS 28 -5.025 -1.456 -16.287 204 HG2 LYS 28 2HG LYS 28 -4.093 -1.409 -18.579 205 HG3 LYS 28 1HG LYS 28 -3.990 -3.171 -18.543 206 HD2 LYS 28 2HD LYS 28 -6.440 -3.275 -18.186 207 HD3 LYS 28 1HD LYS 28 -6.509 -1.515 -18.313 208 HE2 LYS 28 2HE LYS 28 -5.565 -1.695 -20.603 209 HE3 LYS 28 1HE LYS 28 -5.641 -3.450 -20.463 210 HZ1 LYS 28 3HZ LYS 28 -7.560 -2.692 -21.622 211 HZ2 LYS 28 1HZ LYS 28 -7.927 -1.563 -20.418 212 HZ3 LYS 28 2HZ LYS 28 -8.060 -3.214 -20.094 213 H VAL 29 H VAL 29 -1.341 -0.752 -14.728 214 HA VAL 29 HA VAL 29 -1.857 1.870 -15.542 215 HB VAL 29 HB VAL 29 0.757 0.754 -14.486 216 HG11 VAL 29 1HG1 VAL 29 -0.273 3.599 -14.503 217 HG12 VAL 29 2HG1 VAL 29 1.053 2.965 -15.478 218 HG13 VAL 29 3HG1 VAL 29 1.209 3.042 -13.724 219 HG21 VAL 29 3HG2 VAL 29 -1.138 0.258 -13.012 220 HG22 VAL 29 1HG2 VAL 29 -1.579 1.965 -12.992 221 HG23 VAL 29 2HG2 VAL 29 -0.053 1.439 -12.280 222 H ALA 30 H ALA 30 -1.267 3.081 -17.250 223 HA ALA 30 HA ALA 30 -0.185 1.870 -19.566 224 HB1 ALA 30 3HB ALA 30 -1.811 3.690 -19.670 225 HB2 ALA 30 1HB ALA 30 -0.358 4.079 -20.590 226 HB3 ALA 30 2HB ALA 30 -0.618 4.805 -19.003 227 H GLN 31 H GLN 31 1.261 3.925 -17.092 228 HA GLN 31 HA GLN 31 3.783 4.061 -18.586 229 HB2 GLN 31 2HB GLN 31 3.073 5.382 -15.954 230 HB3 GLN 31 1HB GLN 31 4.489 5.709 -16.942 231 HG2 GLN 31 2HG GLN 31 1.620 6.300 -17.658 232 HG3 GLN 31 1HG GLN 31 2.855 7.471 -17.205 233 HE21 GLN 31 1HE2 GLN 31 1.256 7.305 -19.631 234 HE22 GLN 31 2HE2 GLN 31 2.378 7.192 -20.940 235 H ALA 32 H ALA 32 5.828 3.763 -17.288 236 HA ALA 32 HA ALA 32 5.624 1.875 -15.055 237 HB1 ALA 32 3HB ALA 32 7.185 1.246 -17.568 238 HB2 ALA 32 1HB ALA 32 5.718 0.432 -17.027 239 HB3 ALA 32 2HB ALA 32 7.201 0.294 -16.083 240 H GLU 33 H GLU 33 8.096 3.155 -17.266 241 HA GLU 33 HA GLU 33 10.166 3.490 -15.446 242 HB2 GLU 33 2HB GLU 33 11.162 5.022 -17.074 243 HB3 GLU 33 1HB GLU 33 10.473 3.623 -17.880 244 HG2 GLU 33 2HG GLU 33 9.169 6.342 -17.703 245 HG3 GLU 33 1HG GLU 33 10.061 5.728 -19.092 246 H TYR 34 H TYR 34 7.415 5.593 -16.077 247 HA TYR 34 HA TYR 34 8.501 7.810 -14.561 248 HB2 TYR 34 2HB TYR 34 5.726 7.372 -15.693 249 HB3 TYR 34 1HB TYR 34 6.293 8.870 -14.964 250 HD1 TYR 34 HD2 TYR 34 8.717 9.613 -16.068 251 HD2 TYR 34 HD1 TYR 34 5.626 7.410 -18.002 252 HE1 TYR 34 HE2 TYR 34 9.555 10.364 -18.255 253 HE2 TYR 34 HE1 TYR 34 6.456 8.160 -20.191 254 HH TYR 34 HH TYR 34 9.481 9.646 -20.610 255 H VAL 35 H VAL 35 6.827 4.944 -13.702 256 HA VAL 35 HA VAL 35 5.288 6.144 -11.555 257 HB VAL 35 HB VAL 35 5.699 3.173 -11.936 258 HG11 VAL 35 1HG1 VAL 35 3.523 3.014 -10.850 259 HG12 VAL 35 2HG1 VAL 35 3.436 4.773 -10.736 260 HG13 VAL 35 3HG1 VAL 35 4.670 3.889 -9.836 261 HG21 VAL 35 3HG2 VAL 35 3.593 4.887 -13.267 262 HG22 VAL 35 1HG2 VAL 35 3.727 3.130 -13.357 263 HG23 VAL 35 2HG2 VAL 35 4.972 4.148 -14.082 264 H THR 36 H THR 36 7.117 7.096 -10.438 265 HA THR 36 HA THR 36 9.090 5.514 -9.128 266 HB THR 36 HB THR 36 8.090 8.275 -8.365 267 HG1 THR 36 HG1 THR 36 9.692 9.044 -9.709 268 HG21 THR 36 3HG2 THR 36 9.372 7.234 -6.563 269 HG22 THR 36 1HG2 THR 36 10.305 8.531 -7.310 270 HG23 THR 36 2HG2 THR 36 10.673 6.849 -7.691 271 H VAL 37 H VAL 37 7.811 3.802 -8.156 272 HA VAL 37 HA VAL 37 6.045 4.512 -5.955 273 HB VAL 37 HB VAL 37 5.712 2.112 -5.632 274 HG11 VAL 37 1HG1 VAL 37 4.684 1.580 -7.796 275 HG12 VAL 37 2HG1 VAL 37 5.564 2.917 -8.538 276 HG13 VAL 37 3HG1 VAL 37 4.349 3.240 -7.301 277 HG21 VAL 37 3HG2 VAL 37 7.967 1.320 -6.121 278 HG22 VAL 37 1HG2 VAL 37 7.770 1.748 -7.820 279 HG23 VAL 37 2HG2 VAL 37 6.787 0.465 -7.113 280 H GLU 38 H GLU 38 6.422 4.122 -3.769 281 HA GLU 38 HA GLU 38 9.047 3.036 -3.020 282 HB2 GLU 38 2HB GLU 38 9.305 4.744 -1.262 283 HB3 GLU 38 1HB GLU 38 9.316 5.437 -2.875 284 HG2 GLU 38 2HG GLU 38 6.992 6.164 -2.572 285 HG3 GLU 38 1HG GLU 38 6.997 5.476 -0.948 286 H LEU 39 H LEU 39 8.927 1.498 -1.529 287 HA LEU 39 HA LEU 39 6.363 1.125 -0.150 288 HB2 LEU 39 2HB LEU 39 7.416 -1.194 0.374 289 HB3 LEU 39 1HB LEU 39 6.768 -0.864 -1.216 290 HG LEU 39 HG LEU 39 9.132 -0.377 -1.978 291 HD11 LEU 39 1HD1 LEU 39 10.962 -1.328 -0.649 292 HD12 LEU 39 2HD1 LEU 39 9.839 -1.626 0.678 293 HD13 LEU 39 3HD1 LEU 39 10.186 0.026 0.169 294 HD21 LEU 39 3HD2 LEU 39 9.705 -2.741 -2.215 295 HD22 LEU 39 1HD2 LEU 39 7.988 -2.465 -2.497 296 HD23 LEU 39 2HD2 LEU 39 8.529 -3.157 -0.968 297 H ASN 40 H ASN 40 6.140 1.217 2.001 298 HA ASN 40 HA ASN 40 6.589 1.599 4.203 299 HB2 ASN 40 2HB ASN 40 9.268 0.340 3.544 300 HB3 ASN 40 1HB ASN 40 8.641 0.603 5.165 301 HD21 ASN 40 1HD2 ASN 40 6.689 -0.516 2.454 302 HD22 ASN 40 2HD2 ASN 40 6.444 -2.104 3.061 303 H GLY 41 H GLY 41 7.465 3.557 2.037 304 HA2 GLY 41 2HA GLY 41 8.253 5.741 2.168 305 HA3 GLY 41 1HA GLY 41 8.899 5.397 3.762 306 H GLU 42 H GLU 42 9.761 3.226 1.208 307 HA GLU 42 HA GLU 42 12.379 4.562 0.909 308 HB2 GLU 42 2HB GLU 42 12.547 2.578 2.374 309 HB3 GLU 42 1HB GLU 42 11.889 1.578 1.086 310 HG2 GLU 42 2HG GLU 42 13.824 1.916 -0.272 311 HG3 GLU 42 1HG GLU 42 14.434 3.166 0.810 312 H VAL 43 H VAL 43 12.607 5.255 -1.096 313 HA VAL 43 HA VAL 43 10.918 4.463 -3.237 314 HB VAL 43 HB VAL 43 11.720 6.751 -3.016 315 HG11 VAL 43 1HG1 VAL 43 14.030 7.371 -3.513 316 HG12 VAL 43 2HG1 VAL 43 14.459 5.670 -3.703 317 HG13 VAL 43 3HG1 VAL 43 13.954 6.280 -2.128 318 HG21 VAL 43 3HG2 VAL 43 12.354 7.157 -5.361 319 HG22 VAL 43 1HG2 VAL 43 11.035 5.994 -5.227 320 HG23 VAL 43 2HG2 VAL 43 12.671 5.434 -5.568 321 H LEU 44 H LEU 44 11.311 3.359 -5.125 322 HA LEU 44 HA LEU 44 13.678 1.615 -5.168 323 HB2 LEU 44 2HB LEU 44 11.053 1.480 -6.659 324 HB3 LEU 44 1HB LEU 44 12.391 0.395 -6.966 325 HG LEU 44 HG LEU 44 10.822 -0.761 -5.596 326 HD11 LEU 44 1HD1 LEU 44 12.149 -1.315 -3.637 327 HD12 LEU 44 2HD1 LEU 44 13.117 0.143 -3.857 328 HD13 LEU 44 3HD1 LEU 44 13.172 -1.145 -5.063 329 HD21 LEU 44 3HD2 LEU 44 9.612 1.171 -4.704 330 HD22 LEU 44 1HD2 LEU 44 10.969 1.535 -3.637 331 HD23 LEU 44 2HD2 LEU 44 10.057 0.038 -3.429 332 H GLU 45 H GLU 45 14.613 1.122 -7.341 333 HA GLU 45 HA GLU 45 15.145 3.560 -8.833 334 HB2 GLU 45 2HB GLU 45 16.988 2.044 -8.205 335 HB3 GLU 45 1HB GLU 45 16.246 0.749 -9.131 336 HG2 GLU 45 2HG GLU 45 18.101 1.705 -10.345 337 HG3 GLU 45 1HG GLU 45 16.591 2.022 -11.195 338 H ARG 46 H ARG 46 14.961 3.661 -11.188 339 HA ARG 46 HA ARG 46 12.425 3.129 -12.152 340 HB2 ARG 46 2HB ARG 46 13.277 3.684 -14.382 341 HB3 ARG 46 1HB ARG 46 13.917 4.786 -13.168 342 HG2 ARG 46 2HG ARG 46 16.066 3.958 -13.343 343 HG3 ARG 46 1HG ARG 46 15.528 2.382 -13.924 344 HD2 ARG 46 2HD ARG 46 15.431 4.954 -15.505 345 HD3 ARG 46 1HD ARG 46 16.650 3.691 -15.683 346 HE ARG 46 HE ARG 46 13.779 3.330 -16.285 347 HH11 ARG 46 1HH1 ARG 46 17.102 2.623 -16.895 348 HH12 ARG 46 2HH1 ARG 46 16.742 1.538 -18.192 349 HH21 ARG 46 1HH2 ARG 46 13.335 1.931 -17.937 350 HH22 ARG 46 2HH2 ARG 46 14.629 1.158 -18.789 351 H GLU 47 H GLU 47 15.097 0.936 -12.052 352 HA GLU 47 HA GLU 47 13.565 -1.012 -13.646 353 HB2 GLU 47 2HB GLU 47 15.768 -1.872 -14.487 354 HB3 GLU 47 1HB GLU 47 15.330 -0.270 -15.065 355 HG2 GLU 47 2HG GLU 47 16.807 0.701 -13.309 356 HG3 GLU 47 1HG GLU 47 17.330 -0.935 -12.910 357 H ALA 48 H ALA 48 13.846 -0.565 -10.708 358 HA ALA 48 HA ALA 48 15.095 -3.104 -9.881 359 HB1 ALA 48 3HB ALA 48 14.903 -2.255 -7.593 360 HB2 ALA 48 1HB ALA 48 14.071 -0.817 -8.189 361 HB3 ALA 48 2HB ALA 48 15.755 -1.108 -8.628 362 H PHE 49 H PHE 49 12.224 -2.281 -11.073 363 HA PHE 49 HA PHE 49 10.397 -3.249 -9.079 364 HB2 PHE 49 2HB PHE 49 9.896 -2.838 -12.040 365 HB3 PHE 49 1HB PHE 49 8.678 -2.968 -10.777 366 HD1 PHE 49 HD1 PHE 49 9.513 -1.205 -8.688 367 HD2 PHE 49 HD2 PHE 49 9.903 -0.698 -12.902 368 HE1 PHE 49 HE1 PHE 49 9.572 1.237 -8.390 369 HE2 PHE 49 HE2 PHE 49 9.961 1.742 -12.603 370 HZ PHE 49 HZ PHE 49 9.797 2.714 -10.344 371 H ASP 50 H ASP 50 12.120 -4.686 -11.768 372 HA ASP 50 HA ASP 50 10.715 -7.178 -11.774 373 HB2 ASP 50 2HB ASP 50 13.487 -6.462 -12.779 374 HB3 ASP 50 1HB ASP 50 12.688 -8.003 -13.072 375 H ALA 51 H ALA 51 13.602 -5.976 -10.139 376 HA ALA 51 HA ALA 51 14.361 -8.476 -8.987 377 HB1 ALA 51 3HB ALA 51 15.954 -6.637 -9.369 378 HB2 ALA 51 1HB ALA 51 15.959 -7.187 -7.693 379 HB3 ALA 51 2HB ALA 51 15.138 -5.686 -8.125 380 H THR 52 H THR 52 12.536 -5.681 -7.771 381 HA THR 52 HA THR 52 12.307 -6.718 -5.103 382 HB THR 52 HB THR 52 10.758 -4.476 -6.429 383 HG1 THR 52 HG1 THR 52 12.855 -3.832 -6.334 384 HG21 THR 52 3HG2 THR 52 11.070 -5.178 -3.499 385 HG22 THR 52 1HG2 THR 52 9.591 -5.339 -4.448 386 HG23 THR 52 2HG2 THR 52 10.265 -3.741 -4.131 387 H THR 53 H THR 53 11.184 -8.544 -4.788 388 HA THR 53 HA THR 53 8.639 -9.011 -6.150 389 HB THR 53 HB THR 53 8.669 -11.223 -5.008 390 HG1 THR 53 HG1 THR 53 9.911 -11.363 -3.299 391 HG21 THR 53 3HG2 THR 53 11.228 -10.573 -6.491 392 HG22 THR 53 1HG2 THR 53 9.680 -10.972 -7.237 393 HG23 THR 53 2HG2 THR 53 10.531 -12.180 -6.277 394 H VAL 54 H VAL 54 6.695 -8.730 -5.242 395 HA VAL 54 HA VAL 54 6.586 -7.874 -2.426 396 HB VAL 54 HB VAL 54 4.482 -7.500 -4.576 397 HG11 VAL 54 1HG1 VAL 54 3.572 -7.450 -2.314 398 HG12 VAL 54 2HG1 VAL 54 3.544 -5.835 -3.022 399 HG13 VAL 54 3HG1 VAL 54 4.779 -6.256 -1.835 400 HG21 VAL 54 3HG2 VAL 54 6.501 -6.284 -5.185 401 HG22 VAL 54 1HG2 VAL 54 6.567 -5.549 -3.582 402 HG23 VAL 54 2HG2 VAL 54 5.241 -5.160 -4.678 403 H LYS 55 H LYS 55 5.053 -8.764 -0.993 404 HA LYS 55 HA LYS 55 3.560 -11.129 -1.925 405 HB2 LYS 55 2HB LYS 55 5.294 -10.968 0.551 406 HB3 LYS 55 1HB LYS 55 4.094 -12.225 0.296 407 HG2 LYS 55 2HG LYS 55 5.317 -12.879 -1.779 408 HG3 LYS 55 1HG LYS 55 6.573 -11.714 -1.344 409 HD2 LYS 55 2HD LYS 55 6.978 -12.900 0.750 410 HD3 LYS 55 1HD LYS 55 5.681 -14.038 0.382 411 HE2 LYS 55 2HE LYS 55 6.957 -14.748 -1.636 412 HE3 LYS 55 1HE LYS 55 8.272 -13.686 -1.134 413 HZ1 LYS 55 3HZ LYS 55 7.227 -16.018 0.380 414 HZ2 LYS 55 1HZ LYS 55 8.433 -14.974 0.933 415 HZ3 LYS 55 2HZ LYS 55 8.704 -15.934 -0.431 416 H ASP 56 H ASP 56 2.217 -11.894 0.221 417 HA ASP 56 HA ASP 56 0.227 -9.912 0.578 418 HB2 ASP 56 2HB ASP 56 -0.114 -12.412 0.629 419 HB3 ASP 56 1HB ASP 56 0.631 -12.422 2.224 420 H GLY 57 H GLY 57 0.568 -8.108 1.766 421 HA2 GLY 57 2HA GLY 57 0.434 -7.176 3.974 422 HA3 GLY 57 1HA GLY 57 1.461 -8.474 4.551 423 H ASP 58 H ASP 58 1.629 -5.796 2.170 424 HA ASP 58 HA ASP 58 3.864 -4.678 3.663 425 HB2 ASP 58 2HB ASP 58 4.795 -6.235 1.835 426 HB3 ASP 58 1HB ASP 58 4.192 -5.052 0.677 427 H ALA 59 H ALA 59 4.412 -2.437 2.821 428 HA ALA 59 HA ALA 59 1.888 -1.122 2.033 429 HB1 ALA 59 3HB ALA 59 4.097 -0.029 3.777 430 HB2 ALA 59 1HB ALA 59 2.555 -0.673 4.341 431 HB3 ALA 59 2HB ALA 59 2.592 0.794 3.363 432 H VAL 60 H VAL 60 2.161 -0.846 -0.157 433 HA VAL 60 HA VAL 60 4.531 0.581 -1.136 434 HB VAL 60 HB VAL 60 3.857 -1.297 -2.500 435 HG11 VAL 60 1HG1 VAL 60 1.170 0.057 -2.808 436 HG12 VAL 60 2HG1 VAL 60 1.488 -1.400 -1.866 437 HG13 VAL 60 3HG1 VAL 60 1.687 -1.422 -3.618 438 HG21 VAL 60 3HG2 VAL 60 4.766 0.669 -3.667 439 HG22 VAL 60 1HG2 VAL 60 3.131 1.294 -3.893 440 HG23 VAL 60 2HG2 VAL 60 3.619 -0.210 -4.678 441 H GLU 61 H GLU 61 4.523 2.709 -1.672 442 HA GLU 61 HA GLU 61 1.968 4.151 -1.371 443 HB2 GLU 61 2HB GLU 61 4.798 5.159 -0.984 444 HB3 GLU 61 1HB GLU 61 3.340 6.129 -0.798 445 HG2 GLU 61 2HG GLU 61 2.606 4.593 1.007 446 HG3 GLU 61 1HG GLU 61 4.148 3.748 0.861 447 H PHE 62 H PHE 62 1.079 4.895 -3.153 448 HA PHE 62 HA PHE 62 2.716 5.637 -5.476 449 HB2 PHE 62 2HB PHE 62 -0.176 4.974 -5.063 450 HB3 PHE 62 1HB PHE 62 0.281 5.973 -6.434 451 HD1 PHE 62 HD1 PHE 62 0.931 2.693 -4.824 452 HD2 PHE 62 HD2 PHE 62 1.130 5.043 -8.366 453 HE1 PHE 62 HE1 PHE 62 1.530 0.680 -6.123 454 HE2 PHE 62 HE2 PHE 62 1.718 3.039 -9.675 455 HZ PHE 62 HZ PHE 62 1.924 0.857 -8.555 456 H LEU 63 H LEU 63 3.047 7.716 -6.076 457 HA LEU 63 HA LEU 63 1.371 9.780 -4.823 458 HB2 LEU 63 2HB LEU 63 3.445 11.264 -4.869 459 HB3 LEU 63 1HB LEU 63 3.373 10.015 -3.643 460 HG LEU 63 HG LEU 63 4.876 9.583 -6.225 461 HD11 LEU 63 1HD1 LEU 63 5.956 10.801 -3.681 462 HD12 LEU 63 2HD1 LEU 63 5.775 11.618 -5.235 463 HD13 LEU 63 3HD1 LEU 63 6.918 10.286 -5.067 464 HD21 LEU 63 3HD2 LEU 63 5.164 8.375 -3.464 465 HD22 LEU 63 1HD2 LEU 63 6.123 7.960 -4.886 466 HD23 LEU 63 2HD2 LEU 63 4.398 7.602 -4.852 467 H TYR 64 H TYR 64 0.175 10.718 -6.297 468 HA TYR 64 HA TYR 64 -0.500 11.886 -8.120 469 HB2 TYR 64 2HB TYR 64 2.456 12.130 -8.713 470 HB3 TYR 64 1HB TYR 64 1.190 12.994 -9.576 471 HD1 TYR 64 HD1 TYR 64 -0.573 13.770 -7.278 472 HD2 TYR 64 HD2 TYR 64 3.669 13.865 -7.698 473 HE1 TYR 64 HE1 TYR 64 -0.457 15.629 -5.673 474 HE2 TYR 64 HE2 TYR 64 3.791 15.715 -6.087 475 HH TYR 64 HH TYR 64 1.217 16.623 -4.111 476 H PHE 65 H PHE 65 0.873 8.895 -8.371 477 HA PHE 65 HA PHE 65 0.975 8.766 -11.274 478 HB2 PHE 65 2HB PHE 65 1.416 6.574 -9.234 479 HB3 PHE 65 1HB PHE 65 1.771 6.475 -10.959 480 HD1 PHE 65 HD2 PHE 65 3.188 8.714 -11.740 481 HD2 PHE 65 HD1 PHE 65 3.296 6.819 -7.923 482 HE1 PHE 65 HE2 PHE 65 5.413 9.677 -11.326 483 HE2 PHE 65 HE1 PHE 65 5.512 7.791 -7.504 484 HZ PHE 65 HZ PHE 65 6.574 9.219 -9.206 485 H MET 66 H MET 66 -0.692 8.304 -12.502 486 HA MET 66 HA MET 66 -3.195 7.436 -11.324 487 HB2 MET 66 2HB MET 66 -2.521 8.163 -14.189 488 HB3 MET 66 1HB MET 66 -4.140 7.893 -13.553 489 HG2 MET 66 2HG MET 66 -2.244 10.069 -12.688 490 HG3 MET 66 1HG MET 66 -3.640 10.270 -13.745 491 HE1 MET 66 3HE MET 66 -5.824 8.417 -12.399 492 HE2 MET 66 1HE MET 66 -6.146 10.060 -12.955 493 HE3 MET 66 2HE MET 66 -6.628 9.569 -11.331 494 H GLY 67 H GLY 67 -4.366 5.630 -11.866 495 HA2 GLY 67 2HA GLY 67 -3.811 3.671 -13.757 496 HA3 GLY 67 1HA GLY 67 -2.891 3.236 -12.321 497 H GLY 68 H GLY 68 -4.563 3.988 -10.298 498 HA2 GLY 68 2HA GLY 68 -6.659 3.749 -9.319 499 HA3 GLY 68 1HA GLY 68 -7.268 3.079 -10.819 500 H GLY 69 H GLY 69 -6.243 2.402 -7.665 501 HA2 GLY 69 2HA GLY 69 -6.119 -0.494 -8.139 502 HA3 GLY 69 1HA GLY 69 -5.852 0.322 -6.602 503 H LYS 70 H LYS 70 -8.434 -0.110 -9.017 504 HA LYS 70 HA LYS 70 -10.560 0.806 -7.537 505 HB2 LYS 70 2HB LYS 70 -10.635 0.310 -9.955 506 HB3 LYS 70 1HB LYS 70 -10.651 -1.412 -9.594 507 HG2 LYS 70 2HG LYS 70 -12.789 -1.178 -8.457 508 HG3 LYS 70 1HG LYS 70 -12.770 0.562 -8.750 509 HD2 LYS 70 2HD LYS 70 -12.765 0.099 -11.199 510 HD3 LYS 70 1HD LYS 70 -12.914 -1.623 -10.837 511 HE2 LYS 70 2HE LYS 70 -15.043 -1.194 -9.695 512 HE3 LYS 70 1HE LYS 70 -14.889 0.526 -10.050 513 HZ1 LYS 70 3HZ LYS 70 -16.349 -0.549 -11.625 514 HZ2 LYS 70 1HZ LYS 70 -15.141 -1.651 -12.056 515 HZ3 LYS 70 2HZ LYS 70 -14.953 -0.011 -12.420 516 H LEU 71 H LEU 71 -10.877 0.180 -5.472 517 HA LEU 71 HA LEU 71 -11.143 -2.636 -4.782 518 HB2 LEU 71 2HB LEU 71 -11.591 -0.133 -3.134 519 HB3 LEU 71 1HB LEU 71 -11.656 -1.773 -2.513 520 HG LEU 71 HG LEU 71 -9.206 -0.414 -3.657 521 HD11 LEU 71 1HD1 LEU 71 -9.847 0.449 -1.457 522 HD12 LEU 71 2HD1 LEU 71 -8.350 -0.475 -1.379 523 HD13 LEU 71 3HD1 LEU 71 -9.859 -1.192 -0.811 524 HD21 LEU 71 3HD2 LEU 71 -9.208 -2.807 -4.140 525 HD22 LEU 71 1HD2 LEU 71 -9.507 -3.163 -2.437 526 HD23 LEU 71 2HD2 LEU 71 -7.991 -2.408 -2.930 527 H GLU 72 H GLU 72 -13.215 -2.852 -3.133 528 HA GLU 72 HA GLU 72 -15.454 -3.156 -2.962 529 HB2 GLU 72 2HB GLU 72 -15.659 -0.629 -4.619 530 HB3 GLU 72 1HB GLU 72 -16.969 -1.369 -3.708 531 HG2 GLU 72 2HG GLU 72 -15.617 -1.021 -1.632 532 HG3 GLU 72 1HG GLU 72 -14.462 -0.113 -2.607 533 H HIS 73 H HIS 73 -15.595 -5.070 -4.080 534 HA HIS 73 HA HIS 73 -16.752 -4.878 -6.788 535 HB2 HIS 73 2HB HIS 73 -14.586 -6.800 -5.907 536 HB3 HIS 73 1HB HIS 73 -15.496 -6.964 -7.403 537 HD1 HIS 73 HD1 HIS 73 -15.114 -5.036 -9.205 538 HD2 HIS 73 HD2 HIS 73 -12.433 -5.098 -6.030 539 HE1 HIS 73 HE1 HIS 73 -13.176 -3.629 -9.936 540 HE2 HIS 73 HE2 HIS 73 -11.561 -3.693 -8.016 541 H HIS 74 H HIS 74 -17.863 -6.942 -7.439 542 HA HIS 74 HA HIS 74 -19.690 -7.862 -5.514 543 HB2 HIS 74 2HB HIS 74 -20.064 -7.956 -7.969 544 HB3 HIS 74 1HB HIS 74 -18.849 -9.223 -8.095 545 HD1 HIS 74 HD1 HIS 74 -19.704 -11.552 -7.934 546 HD2 HIS 74 HD2 HIS 74 -22.370 -8.809 -6.311 547 HE1 HIS 74 HE1 HIS 74 -21.751 -12.871 -7.334 548 HE2 HIS 74 HE2 HIS 74 -23.404 -11.169 -6.511 549 H HIS 75 H HIS 75 -19.330 -9.164 -3.811 550 HA HIS 75 HA HIS 75 -16.858 -10.283 -3.217 551 HB2 HIS 75 2HB HIS 75 -19.567 -11.060 -2.118 552 HB3 HIS 75 1HB HIS 75 -18.024 -11.519 -1.406 553 HD1 HIS 75 HD1 HIS 75 -20.010 -9.898 0.240 554 HD2 HIS 75 HD2 HIS 75 -17.019 -8.179 -2.080 555 HE1 HIS 75 HE1 HIS 75 -19.610 -7.628 1.227 556 HE2 HIS 75 HE2 HIS 75 -17.929 -6.547 -0.291 557 H HIS 76 H HIS 76 -15.832 -11.811 -4.308 558 HA HIS 76 HA HIS 76 -17.082 -13.799 -5.907 559 HB2 HIS 76 2HB HIS 76 -14.851 -12.938 -6.416 560 HB3 HIS 76 1HB HIS 76 -14.232 -13.580 -4.898 561 HD1 HIS 76 HD1 HIS 76 -13.673 -16.081 -4.807 562 HD2 HIS 76 HD2 HIS 76 -15.287 -14.867 -8.443 563 HE1 HIS 76 HE1 HIS 76 -13.338 -18.011 -6.370 564 HE2 HIS 76 HE2 HIS 76 -14.417 -17.302 -8.526 565 H HIS 77 H HIS 77 -17.636 -15.876 -5.478 566 HA HIS 77 HA HIS 77 -16.641 -17.273 -3.144 567 HB2 HIS 77 2HB HIS 77 -18.486 -15.951 -2.193 568 HB3 HIS 77 1HB HIS 77 -19.589 -16.599 -3.403 569 HD1 HIS 77 HD1 HIS 77 -20.429 -19.019 -3.069 570 HD2 HIS 77 HD2 HIS 77 -17.893 -17.690 -0.058 571 HE1 HIS 77 HE1 HIS 77 -20.664 -20.686 -1.212 572 HE2 HIS 77 HE2 HIS 77 -19.003 -19.955 0.525 573 H HIS 78 H HIS 78 -16.896 -19.507 -3.274 574 HA HIS 78 HA HIS 78 -17.561 -20.589 -5.877 575 HB2 HIS 78 2HB HIS 78 -16.626 -21.953 -3.337 576 HB3 HIS 78 1HB HIS 78 -16.829 -22.755 -4.886 577 HD1 HIS 78 HD1 HIS 78 -14.158 -22.030 -3.023 578 HD2 HIS 78 HD2 HIS 78 -15.215 -20.651 -6.799 579 HE1 HIS 78 HE1 HIS 78 -12.011 -21.330 -4.109 580 HE2 HIS 78 HE2 HIS 78 -12.685 -20.369 -6.327 Start of MODEL 8 1 H1 MET 1 1H MET 1 -3.227 -10.703 -3.021 2 H2 MET 1 2H MET 1 -4.088 -11.492 -1.800 3 H3 MET 1 3H MET 1 -2.718 -12.221 -2.472 4 HA MET 1 HA MET 1 -2.222 -11.323 -0.303 5 HB2 MET 1 2HB MET 1 -0.248 -10.015 -0.895 6 HB3 MET 1 1HB MET 1 -0.447 -11.352 -2.019 7 HG2 MET 1 2HG MET 1 -1.339 -9.863 -3.697 8 HG3 MET 1 1HG MET 1 -1.294 -8.514 -2.566 9 HE1 MET 1 3HE MET 1 0.831 -10.983 -4.772 10 HE2 MET 1 1HE MET 1 1.389 -11.356 -3.141 11 HE3 MET 1 2HE MET 1 2.472 -10.562 -4.284 12 H ASN 2 H ASN 2 -2.278 -9.669 1.188 13 HA ASN 2 HA ASN 2 -3.980 -7.370 0.506 14 HB2 ASN 2 2HB ASN 2 -3.173 -8.461 3.220 15 HB3 ASN 2 1HB ASN 2 -4.320 -7.152 2.931 16 HD21 ASN 2 1HD2 ASN 2 -3.768 -10.576 2.706 17 HD22 ASN 2 2HD2 ASN 2 -5.419 -11.017 2.457 18 H LEU 3 H LEU 3 -2.792 -5.669 -0.156 19 HA LEU 3 HA LEU 3 -0.174 -5.142 1.087 20 HB2 LEU 3 2HB LEU 3 -1.419 -3.963 -1.407 21 HB3 LEU 3 1HB LEU 3 0.217 -3.670 -0.841 22 HG LEU 3 HG LEU 3 -0.879 -6.323 -1.795 23 HD11 LEU 3 1HD1 LEU 3 1.117 -4.447 -3.062 24 HD12 LEU 3 2HD1 LEU 3 -0.529 -4.748 -3.619 25 HD13 LEU 3 3HD1 LEU 3 0.667 -6.042 -3.665 26 HD21 LEU 3 3HD2 LEU 3 1.895 -5.579 -0.862 27 HD22 LEU 3 1HD2 LEU 3 1.433 -7.121 -1.586 28 HD23 LEU 3 2HD2 LEU 3 0.762 -6.642 -0.028 29 H THR 4 H THR 4 0.344 -2.661 1.115 30 HA THR 4 HA THR 4 -1.992 -1.130 2.083 31 HB THR 4 HB THR 4 0.748 -1.154 3.378 32 HG1 THR 4 HG1 THR 4 -0.760 -2.944 3.857 33 HG21 THR 4 3HG2 THR 4 -0.228 1.092 3.432 34 HG22 THR 4 1HG2 THR 4 -0.236 0.370 5.041 35 HG23 THR 4 2HG2 THR 4 -1.724 0.434 4.097 36 H VAL 5 H VAL 5 -2.276 0.471 0.667 37 HA VAL 5 HA VAL 5 0.078 1.756 -0.548 38 HB VAL 5 HB VAL 5 -1.492 2.637 -2.264 39 HG11 VAL 5 1HG1 VAL 5 -0.250 0.596 -2.707 40 HG12 VAL 5 2HG1 VAL 5 -1.858 0.487 -3.422 41 HG13 VAL 5 3HG1 VAL 5 -1.500 -0.368 -1.920 42 HG21 VAL 5 3HG2 VAL 5 -3.763 1.711 -2.426 43 HG22 VAL 5 1HG2 VAL 5 -3.555 2.644 -0.944 44 HG23 VAL 5 2HG2 VAL 5 -3.539 0.881 -0.887 45 H ASN 6 H ASN 6 0.686 3.639 0.292 46 HA ASN 6 HA ASN 6 0.671 5.730 1.202 47 HB2 ASN 6 2HB ASN 6 -2.223 5.783 0.302 48 HB3 ASN 6 1HB ASN 6 -1.282 7.186 0.801 49 HD21 ASN 6 1HD2 ASN 6 -1.861 4.882 -1.706 50 HD22 ASN 6 2HD2 ASN 6 -0.920 5.671 -2.919 51 H GLY 7 H GLY 7 -0.205 3.332 2.801 52 HA2 GLY 7 2HA GLY 7 -0.514 3.222 5.140 53 HA3 GLY 7 1HA GLY 7 -1.257 4.812 5.108 54 H LYS 8 H LYS 8 -2.669 3.139 2.644 55 HA LYS 8 HA LYS 8 -4.922 2.290 4.359 56 HB2 LYS 8 2HB LYS 8 -4.955 3.146 1.451 57 HB3 LYS 8 1HB LYS 8 -6.361 2.652 2.385 58 HG2 LYS 8 2HG LYS 8 -4.636 5.068 2.928 59 HG3 LYS 8 1HG LYS 8 -6.233 5.071 2.181 60 HD2 LYS 8 2HD LYS 8 -7.218 4.192 4.237 61 HD3 LYS 8 1HD LYS 8 -5.622 4.135 4.989 62 HE2 LYS 8 2HE LYS 8 -6.825 6.111 5.730 63 HE3 LYS 8 1HE LYS 8 -5.435 6.579 4.751 64 HZ1 LYS 8 3HZ LYS 8 -7.002 6.783 2.847 65 HZ2 LYS 8 1HZ LYS 8 -7.285 7.891 4.093 66 HZ3 LYS 8 2HZ LYS 8 -8.285 6.540 3.920 67 HA PRO 9 HA PRO 9 -4.163 -1.863 3.027 68 HB2 PRO 9 2HB PRO 9 -6.520 -3.023 3.690 69 HB3 PRO 9 1HB PRO 9 -5.349 -2.482 4.900 70 HG2 PRO 9 2HG PRO 9 -7.856 -1.143 3.958 71 HG3 PRO 9 1HG PRO 9 -7.213 -1.285 5.604 72 HD2 PRO 9 2HD PRO 9 -6.947 0.964 4.053 73 HD3 PRO 9 1HD PRO 9 -5.809 0.519 5.338 74 H SER 10 H SER 10 -4.042 -2.477 0.947 75 HA SER 10 HA SER 10 -6.464 -2.321 -0.741 76 HB2 SER 10 2HB SER 10 -4.731 -0.707 -1.466 77 HB3 SER 10 1HB SER 10 -3.590 -2.036 -1.668 78 HG SER 10 HG SER 10 -4.428 -2.355 -3.560 79 H THR 11 H THR 11 -7.244 -4.287 -1.094 80 HA THR 11 HA THR 11 -5.475 -6.623 -1.078 81 HB THR 11 HB THR 11 -8.505 -6.502 -1.171 82 HG1 THR 11 HG1 THR 11 -7.199 -7.449 1.095 83 HG21 THR 11 3HG2 THR 11 -6.642 -8.830 -0.646 84 HG22 THR 11 1HG2 THR 11 -7.620 -8.599 -2.097 85 HG23 THR 11 2HG2 THR 11 -8.401 -8.879 -0.541 86 H VAL 12 H VAL 12 -4.579 -7.098 -3.019 87 HA VAL 12 HA VAL 12 -6.139 -6.716 -5.471 88 HB VAL 12 HB VAL 12 -4.011 -7.380 -6.650 89 HG11 VAL 12 1HG1 VAL 12 -3.834 -5.026 -4.761 90 HG12 VAL 12 2HG1 VAL 12 -4.635 -5.037 -6.333 91 HG13 VAL 12 3HG1 VAL 12 -2.887 -5.243 -6.235 92 HG21 VAL 12 3HG2 VAL 12 -2.978 -8.679 -4.862 93 HG22 VAL 12 1HG2 VAL 12 -2.860 -7.234 -3.857 94 HG23 VAL 12 2HG2 VAL 12 -1.922 -7.352 -5.347 95 H ASP 13 H ASP 13 -7.153 -8.317 -6.486 96 HA ASP 13 HA ASP 13 -7.311 -10.882 -5.212 97 HB2 ASP 13 2HB ASP 13 -9.261 -9.649 -6.201 98 HB3 ASP 13 1HB ASP 13 -8.607 -9.993 -7.801 99 H GLY 14 H GLY 14 -6.741 -12.907 -6.006 100 HA2 GLY 14 2HA GLY 14 -5.785 -14.483 -7.414 101 HA3 GLY 14 1HA GLY 14 -5.493 -13.225 -8.602 102 H ALA 15 H ALA 15 -3.914 -11.461 -7.239 103 HA ALA 15 HA ALA 15 -1.370 -12.568 -7.572 104 HB1 ALA 15 3HB ALA 15 -0.529 -10.453 -6.711 105 HB2 ALA 15 1HB ALA 15 -2.127 -10.059 -6.077 106 HB3 ALA 15 2HB ALA 15 -1.876 -10.189 -7.817 107 H GLU 16 H GLU 16 -0.708 -14.255 -6.320 108 HA GLU 16 HA GLU 16 -0.680 -13.914 -3.397 109 HB2 GLU 16 2HB GLU 16 0.016 -16.314 -3.346 110 HB3 GLU 16 1HB GLU 16 -1.564 -16.046 -4.070 111 HG2 GLU 16 2HG GLU 16 -0.632 -16.299 -6.292 112 HG3 GLU 16 1HG GLU 16 0.990 -16.458 -5.620 113 H SER 17 H SER 17 1.515 -14.650 -6.115 114 HA SER 17 HA SER 17 3.690 -13.318 -4.651 115 HB2 SER 17 2HB SER 17 4.018 -16.002 -6.039 116 HB3 SER 17 1HB SER 17 5.310 -15.058 -5.306 117 HG SER 17 HG SER 17 3.484 -16.733 -4.149 118 H LEU 18 H LEU 18 4.630 -11.821 -5.901 119 HA LEU 18 HA LEU 18 5.337 -12.317 -8.625 120 HB2 LEU 18 2HB LEU 18 4.041 -10.348 -9.557 121 HB3 LEU 18 1HB LEU 18 3.123 -11.798 -9.214 122 HG LEU 18 HG LEU 18 2.347 -10.718 -7.074 123 HD11 LEU 18 1HD1 LEU 18 4.088 -9.054 -6.771 124 HD12 LEU 18 2HD1 LEU 18 2.512 -8.272 -6.887 125 HD13 LEU 18 3HD1 LEU 18 3.611 -8.249 -8.266 126 HD21 LEU 18 3HD2 LEU 18 1.661 -9.279 -9.639 127 HD22 LEU 18 1HD2 LEU 18 0.685 -9.304 -8.170 128 HD23 LEU 18 2HD2 LEU 18 0.950 -10.792 -9.078 129 H ASN 19 H ASN 19 6.387 -10.332 -9.646 130 HA ASN 19 HA ASN 19 7.684 -8.728 -7.540 131 HB2 ASN 19 2HB ASN 19 9.429 -8.230 -9.196 132 HB3 ASN 19 1HB ASN 19 9.229 -9.964 -8.972 133 HD21 ASN 19 1HD2 ASN 19 9.101 -7.363 -11.173 134 HD22 ASN 19 2HD2 ASN 19 8.702 -8.287 -12.576 135 H VAL 20 H VAL 20 8.156 -6.406 -8.114 136 HA VAL 20 HA VAL 20 5.783 -5.030 -8.208 137 HB VAL 20 HB VAL 20 8.485 -3.934 -9.012 138 HG11 VAL 20 1HG1 VAL 20 6.004 -2.498 -8.048 139 HG12 VAL 20 2HG1 VAL 20 6.692 -2.418 -9.670 140 HG13 VAL 20 3HG1 VAL 20 7.585 -1.756 -8.302 141 HG21 VAL 20 3HG2 VAL 20 8.519 -5.014 -6.825 142 HG22 VAL 20 1HG2 VAL 20 7.123 -4.062 -6.318 143 HG23 VAL 20 2HG2 VAL 20 8.660 -3.263 -6.659 144 H THR 21 H THR 21 7.933 -5.623 -10.995 145 HA THR 21 HA THR 21 6.734 -4.157 -12.979 146 HB THR 21 HB THR 21 7.566 -7.045 -13.372 147 HG1 THR 21 HG1 THR 21 9.657 -6.134 -13.800 148 HG21 THR 21 3HG2 THR 21 7.592 -4.683 -15.264 149 HG22 THR 21 1HG2 THR 21 6.448 -6.027 -15.309 150 HG23 THR 21 2HG2 THR 21 8.159 -6.312 -15.637 151 H GLU 22 H GLU 22 5.683 -7.364 -11.830 152 HA GLU 22 HA GLU 22 3.457 -7.528 -13.626 153 HB2 GLU 22 2HB GLU 22 3.992 -9.124 -11.111 154 HB3 GLU 22 1HB GLU 22 2.872 -9.554 -12.400 155 HG2 GLU 22 2HG GLU 22 4.741 -9.771 -13.963 156 HG3 GLU 22 1HG GLU 22 5.866 -9.318 -12.684 157 H LEU 23 H LEU 23 3.902 -6.468 -10.300 158 HA LEU 23 HA LEU 23 1.199 -6.164 -9.562 159 HB2 LEU 23 2HB LEU 23 3.230 -6.043 -8.061 160 HB3 LEU 23 1HB LEU 23 3.525 -4.436 -8.683 161 HG LEU 23 HG LEU 23 2.411 -4.580 -6.411 162 HD11 LEU 23 1HD1 LEU 23 0.874 -2.729 -6.808 163 HD12 LEU 23 2HD1 LEU 23 0.923 -3.049 -8.542 164 HD13 LEU 23 3HD1 LEU 23 2.379 -2.512 -7.702 165 HD21 LEU 23 3HD2 LEU 23 0.037 -5.451 -8.060 166 HD22 LEU 23 1HD2 LEU 23 -0.006 -4.992 -6.357 167 HD23 LEU 23 2HD2 LEU 23 0.891 -6.424 -6.861 168 H LEU 24 H LEU 24 3.449 -3.974 -11.213 169 HA LEU 24 HA LEU 24 1.855 -1.696 -11.424 170 HB2 LEU 24 2HB LEU 24 3.848 -2.776 -13.425 171 HB3 LEU 24 1HB LEU 24 3.221 -1.139 -13.414 172 HG LEU 24 HG LEU 24 4.939 -2.390 -11.260 173 HD11 LEU 24 1HD1 LEU 24 6.173 -1.928 -13.319 174 HD12 LEU 24 2HD1 LEU 24 6.666 -0.850 -12.014 175 HD13 LEU 24 3HD1 LEU 24 5.602 -0.258 -13.291 176 HD21 LEU 24 3HD2 LEU 24 3.856 0.421 -11.495 177 HD22 LEU 24 1HD2 LEU 24 5.030 -0.129 -10.298 178 HD23 LEU 24 2HD2 LEU 24 3.393 -0.784 -10.292 179 H SER 25 H SER 25 1.716 -4.697 -13.215 180 HA SER 25 HA SER 25 -0.095 -3.694 -15.230 181 HB2 SER 25 2HB SER 25 1.409 -5.562 -15.761 182 HB3 SER 25 1HB SER 25 0.640 -6.550 -14.520 183 HG SER 25 HG SER 25 -0.063 -6.684 -16.884 184 H ALA 26 H ALA 26 -0.414 -5.828 -12.392 185 HA ALA 26 HA ALA 26 -3.163 -6.336 -12.596 186 HB1 ALA 26 3HB ALA 26 -1.664 -7.591 -11.123 187 HB2 ALA 26 1HB ALA 26 -3.057 -6.968 -10.239 188 HB3 ALA 26 2HB ALA 26 -1.489 -6.175 -10.088 189 H LEU 27 H LEU 27 -1.469 -3.777 -10.796 190 HA LEU 27 HA LEU 27 -3.877 -2.516 -9.875 191 HB2 LEU 27 2HB LEU 27 -1.701 -2.408 -8.685 192 HB3 LEU 27 1HB LEU 27 -1.040 -1.455 -9.996 193 HG LEU 27 HG LEU 27 -3.443 -0.441 -8.493 194 HD11 LEU 27 1HD1 LEU 27 -0.570 -0.152 -7.596 195 HD12 LEU 27 2HD1 LEU 27 -1.836 -1.051 -6.759 196 HD13 LEU 27 3HD1 LEU 27 -1.955 0.702 -6.913 197 HD21 LEU 27 3HD2 LEU 27 -2.742 0.755 -10.512 198 HD22 LEU 27 1HD2 LEU 27 -1.118 0.942 -9.847 199 HD23 LEU 27 2HD2 LEU 27 -2.488 1.742 -9.075 200 H LYS 28 H LYS 28 -1.836 -2.232 -12.679 201 HA LYS 28 HA LYS 28 -1.954 -1.073 -14.612 202 HB2 LYS 28 2HB LYS 28 -4.332 -1.651 -14.665 203 HB3 LYS 28 1HB LYS 28 -4.714 -0.250 -13.672 204 HG2 LYS 28 2HG LYS 28 -3.980 1.244 -15.445 205 HG3 LYS 28 1HG LYS 28 -3.500 -0.135 -16.436 206 HD2 LYS 28 2HD LYS 28 -6.310 0.512 -15.522 207 HD3 LYS 28 1HD LYS 28 -5.667 0.744 -17.150 208 HE2 LYS 28 2HE LYS 28 -5.260 -1.696 -17.300 209 HE3 LYS 28 1HE LYS 28 -5.998 -1.893 -15.710 210 HZ1 LYS 28 3HZ LYS 28 -7.602 -2.372 -17.395 211 HZ2 LYS 28 1HZ LYS 28 -7.327 -0.890 -18.164 212 HZ3 LYS 28 2HZ LYS 28 -8.044 -0.932 -16.634 213 H VAL 29 H VAL 29 -0.274 0.272 -14.115 214 HA VAL 29 HA VAL 29 -0.863 2.828 -12.783 215 HB VAL 29 HB VAL 29 0.945 1.507 -11.798 216 HG11 VAL 29 1HG1 VAL 29 1.670 0.290 -13.773 217 HG12 VAL 29 2HG1 VAL 29 3.035 1.113 -13.020 218 HG13 VAL 29 3HG1 VAL 29 2.303 1.774 -14.483 219 HG21 VAL 29 3HG2 VAL 29 2.695 3.221 -11.773 220 HG22 VAL 29 1HG2 VAL 29 1.090 3.941 -11.660 221 HG23 VAL 29 2HG2 VAL 29 1.973 3.990 -13.186 222 H ALA 30 H ALA 30 -0.261 4.807 -13.678 223 HA ALA 30 HA ALA 30 0.039 4.911 -16.575 224 HB1 ALA 30 3HB ALA 30 -0.224 7.345 -16.283 225 HB2 ALA 30 1HB ALA 30 -0.227 7.125 -14.533 226 HB3 ALA 30 2HB ALA 30 -1.527 6.441 -15.508 227 H GLN 31 H GLN 31 1.934 5.244 -17.620 228 HA GLN 31 HA GLN 31 4.171 5.357 -17.989 229 HB2 GLN 31 2HB GLN 31 3.933 7.424 -15.802 230 HB3 GLN 31 1HB GLN 31 5.463 7.069 -16.582 231 HG2 GLN 31 2HG GLN 31 4.621 8.956 -17.686 232 HG3 GLN 31 1HG GLN 31 4.338 7.607 -18.780 233 HE21 GLN 31 1HE2 GLN 31 2.410 8.344 -15.941 234 HE22 GLN 31 2HE2 GLN 31 0.982 8.780 -16.804 235 H ALA 32 H ALA 32 4.048 3.090 -17.114 236 HA ALA 32 HA ALA 32 4.819 2.453 -14.472 237 HB1 ALA 32 3HB ALA 32 5.103 0.760 -16.953 238 HB2 ALA 32 1HB ALA 32 3.653 0.886 -15.956 239 HB3 ALA 32 2HB ALA 32 5.126 0.184 -15.287 240 H GLU 33 H GLU 33 6.714 3.119 -17.351 241 HA GLU 33 HA GLU 33 9.204 2.124 -16.362 242 HB2 GLU 33 2HB GLU 33 8.751 4.249 -18.474 243 HB3 GLU 33 1HB GLU 33 10.215 3.307 -18.239 244 HG2 GLU 33 2HG GLU 33 7.542 2.192 -19.071 245 HG3 GLU 33 1HG GLU 33 8.882 2.550 -20.156 246 H TYR 34 H TYR 34 7.380 4.829 -15.500 247 HA TYR 34 HA TYR 34 9.742 6.246 -14.426 248 HB2 TYR 34 2HB TYR 34 7.299 7.679 -15.480 249 HB3 TYR 34 1HB TYR 34 8.879 8.355 -15.103 250 HD1 TYR 34 HD1 TYR 34 10.786 7.991 -16.661 251 HD2 TYR 34 HD2 TYR 34 6.859 6.653 -17.611 252 HE1 TYR 34 HE1 TYR 34 11.441 7.742 -19.015 253 HE2 TYR 34 HE2 TYR 34 7.507 6.399 -19.966 254 HH TYR 34 HH TYR 34 10.782 6.545 -20.997 255 H VAL 35 H VAL 35 7.352 4.455 -13.382 256 HA VAL 35 HA VAL 35 5.760 6.163 -11.762 257 HB VAL 35 HB VAL 35 4.892 3.996 -12.398 258 HG11 VAL 35 1HG1 VAL 35 7.084 2.781 -10.710 259 HG12 VAL 35 2HG1 VAL 35 6.976 2.723 -12.469 260 HG13 VAL 35 3HG1 VAL 35 5.766 1.901 -11.486 261 HG21 VAL 35 3HG2 VAL 35 4.050 4.968 -10.324 262 HG22 VAL 35 1HG2 VAL 35 5.321 4.154 -9.409 263 HG23 VAL 35 2HG2 VAL 35 4.074 3.207 -10.223 264 H THR 36 H THR 36 6.354 7.243 -10.014 265 HA THR 36 HA THR 36 8.607 6.359 -8.376 266 HB THR 36 HB THR 36 6.944 8.887 -8.181 267 HG1 THR 36 HG1 THR 36 9.647 8.935 -8.884 268 HG21 THR 36 3HG2 THR 36 9.492 8.106 -6.745 269 HG22 THR 36 1HG2 THR 36 7.903 8.308 -6.008 270 HG23 THR 36 2HG2 THR 36 8.741 9.700 -6.693 271 H VAL 37 H VAL 37 8.122 4.865 -6.901 272 HA VAL 37 HA VAL 37 5.941 5.381 -5.001 273 HB VAL 37 HB VAL 37 5.349 2.946 -4.990 274 HG11 VAL 37 1HG1 VAL 37 3.927 4.548 -6.147 275 HG12 VAL 37 2HG1 VAL 37 3.958 3.013 -7.014 276 HG13 VAL 37 3HG1 VAL 37 4.897 4.382 -7.610 277 HG21 VAL 37 3HG2 VAL 37 5.963 1.561 -6.927 278 HG22 VAL 37 1HG2 VAL 37 7.386 2.055 -6.009 279 HG23 VAL 37 2HG2 VAL 37 6.994 2.859 -7.530 280 H GLU 38 H GLU 38 6.348 4.667 -2.898 281 HA GLU 38 HA GLU 38 8.919 3.269 -2.468 282 HB2 GLU 38 2HB GLU 38 9.103 4.481 -0.290 283 HB3 GLU 38 1HB GLU 38 9.250 5.509 -1.702 284 HG2 GLU 38 2HG GLU 38 6.642 5.215 -0.245 285 HG3 GLU 38 1HG GLU 38 7.880 6.351 0.286 286 H LEU 39 H LEU 39 8.879 1.435 -1.278 287 HA LEU 39 HA LEU 39 6.344 0.726 0.027 288 HB2 LEU 39 2HB LEU 39 6.916 -1.519 -0.097 289 HB3 LEU 39 1HB LEU 39 7.574 -0.874 -1.585 290 HG LEU 39 HG LEU 39 9.268 -1.321 0.880 291 HD11 LEU 39 1HD1 LEU 39 10.008 -3.416 -0.147 292 HD12 LEU 39 2HD1 LEU 39 8.812 -3.213 -1.428 293 HD13 LEU 39 3HD1 LEU 39 8.287 -3.452 0.241 294 HD21 LEU 39 3HD2 LEU 39 11.124 -1.269 -0.707 295 HD22 LEU 39 1HD2 LEU 39 10.190 0.225 -0.783 296 HD23 LEU 39 2HD2 LEU 39 9.997 -1.000 -2.036 297 H ASN 40 H ASN 40 6.117 0.909 2.164 298 HA ASN 40 HA ASN 40 6.578 1.204 4.380 299 HB2 ASN 40 2HB ASN 40 8.941 -0.548 3.646 300 HB3 ASN 40 1HB ASN 40 8.432 -0.199 5.295 301 HD21 ASN 40 1HD2 ASN 40 6.660 -1.221 6.117 302 HD22 ASN 40 2HD2 ASN 40 5.849 -2.512 5.315 303 H GLY 41 H GLY 41 7.814 3.077 2.342 304 HA2 GLY 41 2HA GLY 41 8.712 5.205 3.042 305 HA3 GLY 41 1HA GLY 41 9.725 4.358 4.194 306 H GLU 42 H GLU 42 10.316 2.363 1.862 307 HA GLU 42 HA GLU 42 12.610 3.908 0.879 308 HB2 GLU 42 2HB GLU 42 12.067 0.934 0.704 309 HB3 GLU 42 1HB GLU 42 13.562 1.740 0.243 310 HG2 GLU 42 2HG GLU 42 13.756 2.520 2.625 311 HG3 GLU 42 1HG GLU 42 12.404 1.456 3.008 312 H VAL 43 H VAL 43 12.669 4.704 -1.153 313 HA VAL 43 HA VAL 43 10.477 4.170 -2.947 314 HB VAL 43 HB VAL 43 11.341 6.450 -2.738 315 HG11 VAL 43 1HG1 VAL 43 13.501 7.092 -3.696 316 HG12 VAL 43 2HG1 VAL 43 13.868 5.394 -4.002 317 HG13 VAL 43 3HG1 VAL 43 13.691 5.973 -2.345 318 HG21 VAL 43 3HG2 VAL 43 11.748 5.307 -5.509 319 HG22 VAL 43 1HG2 VAL 43 11.479 7.007 -5.125 320 HG23 VAL 43 2HG2 VAL 43 10.212 5.821 -4.811 321 H LEU 44 H LEU 44 10.479 3.109 -4.879 322 HA LEU 44 HA LEU 44 12.684 1.239 -5.310 323 HB2 LEU 44 2HB LEU 44 9.925 1.353 -6.541 324 HB3 LEU 44 1HB LEU 44 11.120 0.118 -6.880 325 HG LEU 44 HG LEU 44 11.045 -0.449 -4.392 326 HD11 LEU 44 1HD1 LEU 44 8.976 0.165 -3.206 327 HD12 LEU 44 2HD1 LEU 44 8.554 1.247 -4.534 328 HD13 LEU 44 3HD1 LEU 44 9.989 1.565 -3.560 329 HD21 LEU 44 3HD2 LEU 44 9.065 -1.841 -4.639 330 HD22 LEU 44 1HD2 LEU 44 10.011 -1.839 -6.126 331 HD23 LEU 44 2HD2 LEU 44 8.538 -0.875 -6.017 332 H GLU 45 H GLU 45 14.194 1.614 -6.792 333 HA GLU 45 HA GLU 45 14.091 3.772 -8.639 334 HB2 GLU 45 2HB GLU 45 16.185 2.894 -7.661 335 HB3 GLU 45 1HB GLU 45 15.973 1.398 -8.562 336 HG2 GLU 45 2HG GLU 45 16.129 2.684 -10.668 337 HG3 GLU 45 1HG GLU 45 16.418 4.144 -9.724 338 H ARG 46 H ARG 46 14.067 3.718 -10.938 339 HA ARG 46 HA ARG 46 12.110 2.284 -12.209 340 HB2 ARG 46 2HB ARG 46 13.172 2.963 -14.336 341 HB3 ARG 46 1HB ARG 46 13.094 4.279 -13.171 342 HG2 ARG 46 2HG ARG 46 15.445 3.947 -12.610 343 HG3 ARG 46 1HG ARG 46 15.534 2.600 -13.744 344 HD2 ARG 46 2HD ARG 46 14.999 4.137 -15.591 345 HD3 ARG 46 1HD ARG 46 14.950 5.481 -14.446 346 HE ARG 46 HE ARG 46 17.416 4.162 -14.211 347 HH11 ARG 46 1HH1 ARG 46 15.715 6.205 -16.408 348 HH12 ARG 46 2HH1 ARG 46 17.164 6.835 -17.102 349 HH21 ARG 46 1HH2 ARG 46 19.268 5.002 -15.105 350 HH22 ARG 46 2HH2 ARG 46 19.140 6.173 -16.373 351 H GLU 47 H GLU 47 15.495 1.329 -11.850 352 HA GLU 47 HA GLU 47 15.241 -0.971 -13.579 353 HB2 GLU 47 2HB GLU 47 17.352 0.257 -13.398 354 HB3 GLU 47 1HB GLU 47 17.449 -0.132 -11.686 355 HG2 GLU 47 2HG GLU 47 17.608 -2.528 -12.268 356 HG3 GLU 47 1HG GLU 47 17.577 -2.090 -13.976 357 H ALA 48 H ALA 48 14.749 -0.321 -10.226 358 HA ALA 48 HA ALA 48 15.308 -2.975 -9.267 359 HB1 ALA 48 3HB ALA 48 15.677 -1.004 -7.869 360 HB2 ALA 48 1HB ALA 48 14.561 -2.137 -7.108 361 HB3 ALA 48 2HB ALA 48 13.945 -0.673 -7.874 362 H PHE 49 H PHE 49 12.555 -1.536 -10.718 363 HA PHE 49 HA PHE 49 10.411 -2.613 -9.333 364 HB2 PHE 49 2HB PHE 49 10.642 -2.187 -12.319 365 HB3 PHE 49 1HB PHE 49 9.134 -2.464 -11.455 366 HD1 PHE 49 HD1 PHE 49 9.943 -0.735 -9.004 367 HD2 PHE 49 HD2 PHE 49 10.017 -0.063 -13.211 368 HE1 PHE 49 HE1 PHE 49 9.703 1.682 -8.623 369 HE2 PHE 49 HE2 PHE 49 9.781 2.353 -12.831 370 HZ PHE 49 HZ PHE 49 9.623 3.230 -10.536 371 H ASP 50 H ASP 50 12.404 -4.228 -11.788 372 HA ASP 50 HA ASP 50 10.652 -6.535 -11.831 373 HB2 ASP 50 2HB ASP 50 11.972 -5.610 -13.828 374 HB3 ASP 50 1HB ASP 50 13.383 -6.377 -13.105 375 H ALA 51 H ALA 51 13.459 -5.555 -10.078 376 HA ALA 51 HA ALA 51 14.193 -8.296 -9.352 377 HB1 ALA 51 3HB ALA 51 15.960 -6.716 -9.982 378 HB2 ALA 51 1HB ALA 51 16.165 -7.301 -8.331 379 HB3 ALA 51 2HB ALA 51 15.521 -5.685 -8.620 380 H THR 52 H THR 52 11.996 -6.108 -8.204 381 HA THR 52 HA THR 52 12.451 -6.781 -5.363 382 HB THR 52 HB THR 52 10.639 -4.639 -6.511 383 HG1 THR 52 HG1 THR 52 12.591 -3.784 -6.791 384 HG21 THR 52 3HG2 THR 52 10.560 -3.797 -4.193 385 HG22 THR 52 1HG2 THR 52 11.497 -5.196 -3.663 386 HG23 THR 52 2HG2 THR 52 9.875 -5.418 -4.321 387 H THR 53 H THR 53 11.269 -8.389 -4.537 388 HA THR 53 HA THR 53 8.865 -9.326 -5.902 389 HB THR 53 HB THR 53 10.282 -10.497 -3.486 390 HG1 THR 53 HG1 THR 53 11.097 -10.460 -5.964 391 HG21 THR 53 3HG2 THR 53 7.949 -11.204 -3.590 392 HG22 THR 53 1HG2 THR 53 9.014 -12.542 -4.024 393 HG23 THR 53 2HG2 THR 53 8.148 -11.661 -5.281 394 H VAL 54 H VAL 54 6.818 -9.240 -5.126 395 HA VAL 54 HA VAL 54 6.338 -7.907 -2.531 396 HB VAL 54 HB VAL 54 4.504 -7.968 -4.948 397 HG11 VAL 54 1HG1 VAL 54 3.219 -6.251 -3.727 398 HG12 VAL 54 2HG1 VAL 54 4.290 -6.453 -2.339 399 HG13 VAL 54 3HG1 VAL 54 3.264 -7.789 -2.864 400 HG21 VAL 54 3HG2 VAL 54 6.229 -5.708 -3.910 401 HG22 VAL 54 1HG2 VAL 54 5.068 -5.596 -5.235 402 HG23 VAL 54 2HG2 VAL 54 6.496 -6.618 -5.398 403 H LYS 55 H LYS 55 4.687 -8.734 -1.169 404 HA LYS 55 HA LYS 55 3.432 -11.274 -1.887 405 HB2 LYS 55 2HB LYS 55 4.246 -12.321 0.252 406 HB3 LYS 55 1HB LYS 55 5.483 -12.066 -0.967 407 HG2 LYS 55 2HG LYS 55 6.561 -11.403 0.962 408 HG3 LYS 55 1HG LYS 55 5.973 -9.865 0.330 409 HD2 LYS 55 2HD LYS 55 4.030 -10.022 1.861 410 HD3 LYS 55 1HD LYS 55 4.700 -11.515 2.525 411 HE2 LYS 55 2HE LYS 55 5.255 -9.660 3.974 412 HE3 LYS 55 1HE LYS 55 6.723 -10.261 3.207 413 HZ1 LYS 55 3HZ LYS 55 5.178 -7.869 2.368 414 HZ2 LYS 55 1HZ LYS 55 6.570 -8.446 1.610 415 HZ3 LYS 55 2HZ LYS 55 6.652 -7.856 3.190 416 H ASP 56 H ASP 56 2.401 -12.022 0.555 417 HA ASP 56 HA ASP 56 0.266 -10.167 0.879 418 HB2 ASP 56 2HB ASP 56 -0.011 -12.615 1.130 419 HB3 ASP 56 1HB ASP 56 0.983 -12.571 2.584 420 H GLY 57 H GLY 57 1.528 -8.242 1.457 421 HA2 GLY 57 2HA GLY 57 1.163 -7.021 3.689 422 HA3 GLY 57 1HA GLY 57 2.325 -8.181 4.309 423 H ASP 58 H ASP 58 2.055 -5.864 1.592 424 HA ASP 58 HA ASP 58 4.679 -4.772 2.383 425 HB2 ASP 58 2HB ASP 58 3.742 -5.368 -0.441 426 HB3 ASP 58 1HB ASP 58 5.159 -4.392 -0.061 427 H ALA 59 H ALA 59 4.761 -2.587 2.532 428 HA ALA 59 HA ALA 59 2.246 -1.154 2.089 429 HB1 ALA 59 3HB ALA 59 3.301 -1.022 4.300 430 HB2 ALA 59 1HB ALA 59 3.163 0.565 3.539 431 HB3 ALA 59 2HB ALA 59 4.718 -0.266 3.571 432 H VAL 60 H VAL 60 2.820 -1.346 -0.327 433 HA VAL 60 HA VAL 60 4.815 0.522 -1.293 434 HB VAL 60 HB VAL 60 4.510 -1.524 -2.548 435 HG11 VAL 60 1HG1 VAL 60 2.447 -2.034 -3.770 436 HG12 VAL 60 2HG1 VAL 60 1.665 -0.630 -3.041 437 HG13 VAL 60 3HG1 VAL 60 2.172 -1.983 -2.028 438 HG21 VAL 60 3HG2 VAL 60 3.495 0.855 -4.114 439 HG22 VAL 60 1HG2 VAL 60 4.213 -0.603 -4.801 440 HG23 VAL 60 2HG2 VAL 60 5.186 0.470 -3.792 441 H GLU 61 H GLU 61 4.448 2.639 -1.397 442 HA GLU 61 HA GLU 61 1.730 3.686 -1.333 443 HB2 GLU 61 2HB GLU 61 4.398 5.110 -1.185 444 HB3 GLU 61 1HB GLU 61 2.827 5.861 -0.942 445 HG2 GLU 61 2HG GLU 61 2.448 4.440 1.020 446 HG3 GLU 61 1HG GLU 61 4.026 3.691 0.778 447 H PHE 62 H PHE 62 0.680 4.018 -3.203 448 HA PHE 62 HA PHE 62 2.157 4.893 -5.592 449 HB2 PHE 62 2HB PHE 62 -0.379 3.413 -5.145 450 HB3 PHE 62 1HB PHE 62 -0.365 4.518 -6.514 451 HD1 PHE 62 HD2 PHE 62 1.320 1.558 -5.043 452 HD2 PHE 62 HD1 PHE 62 0.782 3.988 -8.505 453 HE1 PHE 62 HE2 PHE 62 2.496 -0.121 -6.409 454 HE2 PHE 62 HE1 PHE 62 1.959 2.316 -9.866 455 HZ PHE 62 HZ PHE 62 2.819 0.263 -8.826 456 H LEU 63 H LEU 63 2.212 6.984 -6.071 457 HA LEU 63 HA LEU 63 -0.105 8.676 -5.426 458 HB2 LEU 63 2HB LEU 63 1.346 10.487 -4.649 459 HB3 LEU 63 1HB LEU 63 1.483 9.067 -3.634 460 HG LEU 63 HG LEU 63 3.507 9.700 -5.790 461 HD11 LEU 63 1HD1 LEU 63 3.580 10.534 -2.888 462 HD12 LEU 63 2HD1 LEU 63 3.432 11.605 -4.281 463 HD13 LEU 63 3HD1 LEU 63 4.912 10.682 -4.035 464 HD21 LEU 63 3HD2 LEU 63 3.584 7.414 -5.008 465 HD22 LEU 63 1HD2 LEU 63 3.591 7.947 -3.327 466 HD23 LEU 63 2HD2 LEU 63 4.972 8.288 -4.369 467 H TYR 64 H TYR 64 -0.715 10.007 -7.017 468 HA TYR 64 HA TYR 64 -0.783 11.218 -8.930 469 HB2 TYR 64 2HB TYR 64 2.236 11.170 -8.712 470 HB3 TYR 64 1HB TYR 64 1.333 12.161 -9.855 471 HD1 TYR 64 HD2 TYR 64 -0.483 13.735 -8.783 472 HD2 TYR 64 HD1 TYR 64 2.808 12.084 -6.643 473 HE1 TYR 64 HE2 TYR 64 -0.695 15.507 -7.095 474 HE2 TYR 64 HE1 TYR 64 2.598 13.854 -4.950 475 HH TYR 64 HH TYR 64 -0.108 15.899 -4.747 476 H PHE 65 H PHE 65 0.361 8.129 -8.865 477 HA PHE 65 HA PHE 65 0.377 7.935 -11.811 478 HB2 PHE 65 2HB PHE 65 1.907 6.266 -9.797 479 HB3 PHE 65 1HB PHE 65 1.817 5.909 -11.520 480 HD1 PHE 65 HD2 PHE 65 2.774 7.551 -13.158 481 HD2 PHE 65 HD1 PHE 65 3.447 7.864 -8.965 482 HE1 PHE 65 HE2 PHE 65 4.695 9.028 -13.577 483 HE2 PHE 65 HE1 PHE 65 5.366 9.345 -9.379 484 HZ PHE 65 HZ PHE 65 5.995 9.926 -11.688 485 H MET 66 H MET 66 -1.887 7.795 -9.931 486 HA MET 66 HA MET 66 -3.863 6.693 -9.793 487 HB2 MET 66 2HB MET 66 -2.621 4.729 -11.736 488 HB3 MET 66 1HB MET 66 -4.305 4.709 -11.230 489 HG2 MET 66 2HG MET 66 -4.679 6.874 -12.238 490 HG3 MET 66 1HG MET 66 -2.971 7.005 -12.654 491 HE1 MET 66 3HE MET 66 -6.298 4.972 -13.278 492 HE2 MET 66 1HE MET 66 -5.129 3.710 -12.880 493 HE3 MET 66 2HE MET 66 -5.775 3.830 -14.518 494 H GLY 67 H GLY 67 -3.979 6.093 -7.705 495 HA2 GLY 67 2HA GLY 67 -3.217 3.305 -7.084 496 HA3 GLY 67 1HA GLY 67 -2.739 4.596 -5.996 497 H GLY 68 H GLY 68 -5.836 4.369 -7.694 498 HA2 GLY 68 2HA GLY 68 -7.169 4.194 -5.052 499 HA3 GLY 68 1HA GLY 68 -7.798 5.105 -6.413 500 H GLY 69 H GLY 69 -6.965 1.768 -5.444 501 HA2 GLY 69 2HA GLY 69 -8.739 0.665 -7.477 502 HA3 GLY 69 1HA GLY 69 -7.747 -0.246 -6.353 503 H LYS 70 H LYS 70 -10.250 2.213 -5.715 504 HA LYS 70 HA LYS 70 -12.022 0.183 -4.576 505 HB2 LYS 70 2HB LYS 70 -10.892 2.498 -2.994 506 HB3 LYS 70 1HB LYS 70 -12.332 1.619 -2.506 507 HG2 LYS 70 2HG LYS 70 -10.958 -0.461 -2.420 508 HG3 LYS 70 1HG LYS 70 -9.531 0.529 -2.745 509 HD2 LYS 70 2HD LYS 70 -10.010 1.848 -0.714 510 HD3 LYS 70 1HD LYS 70 -11.402 0.814 -0.384 511 HE2 LYS 70 2HE LYS 70 -9.484 0.146 0.964 512 HE3 LYS 70 1HE LYS 70 -9.907 -1.122 -0.186 513 HZ1 LYS 70 3HZ LYS 70 -8.120 -0.389 -1.615 514 HZ2 LYS 70 1HZ LYS 70 -7.520 -0.748 -0.077 515 HZ3 LYS 70 2HZ LYS 70 -7.731 0.862 -0.550 516 H LEU 71 H LEU 71 -14.000 1.395 -3.579 517 HA LEU 71 HA LEU 71 -14.657 3.935 -4.843 518 HB2 LEU 71 2HB LEU 71 -16.839 3.188 -5.626 519 HB3 LEU 71 1HB LEU 71 -15.564 2.289 -6.422 520 HG LEU 71 HG LEU 71 -17.154 1.197 -4.088 521 HD11 LEU 71 1HD1 LEU 71 -18.664 1.641 -5.951 522 HD12 LEU 71 2HD1 LEU 71 -18.429 -0.092 -5.733 523 HD13 LEU 71 3HD1 LEU 71 -17.602 0.750 -7.043 524 HD21 LEU 71 3HD2 LEU 71 -15.362 -0.158 -6.113 525 HD22 LEU 71 1HD2 LEU 71 -16.299 -0.974 -4.859 526 HD23 LEU 71 2HD2 LEU 71 -14.990 0.119 -4.412 527 H GLU 72 H GLU 72 -15.891 5.221 -3.471 528 HA GLU 72 HA GLU 72 -15.961 4.406 -0.746 529 HB2 GLU 72 2HB GLU 72 -15.598 6.755 -1.476 530 HB3 GLU 72 1HB GLU 72 -17.280 6.834 -1.982 531 HG2 GLU 72 2HG GLU 72 -16.975 7.891 0.182 532 HG3 GLU 72 1HG GLU 72 -18.000 6.465 0.326 533 H HIS 73 H HIS 73 -17.434 3.229 0.259 534 HA HIS 73 HA HIS 73 -20.038 2.747 -1.009 535 HB2 HIS 73 2HB HIS 73 -18.911 1.288 1.387 536 HB3 HIS 73 1HB HIS 73 -20.144 0.738 0.259 537 HD1 HIS 73 HD1 HIS 73 -16.531 0.697 0.875 538 HD2 HIS 73 HD2 HIS 73 -19.075 -0.024 -2.333 539 HE1 HIS 73 HE1 HIS 73 -15.159 -0.562 -0.802 540 HE2 HIS 73 HE2 HIS 73 -16.769 -1.167 -2.628 541 H HIS 74 H HIS 74 -21.653 4.099 -0.327 542 HA HIS 74 HA HIS 74 -21.707 5.402 2.174 543 HB2 HIS 74 2HB HIS 74 -24.085 5.902 1.692 544 HB3 HIS 74 1HB HIS 74 -23.031 6.257 0.331 545 HD1 HIS 74 HD1 HIS 74 -25.816 4.019 1.400 546 HD2 HIS 74 HD2 HIS 74 -23.439 4.650 -1.948 547 HE1 HIS 74 HE1 HIS 74 -26.927 2.753 -0.458 548 HE2 HIS 74 HE2 HIS 74 -25.379 3.007 -2.420 549 H HIS 75 H HIS 75 -21.280 3.940 3.789 550 HA HIS 75 HA HIS 75 -23.130 1.696 4.203 551 HB2 HIS 75 2HB HIS 75 -21.394 0.810 5.740 552 HB3 HIS 75 1HB HIS 75 -20.801 1.051 4.105 553 HD1 HIS 75 HD1 HIS 75 -19.368 1.148 7.141 554 HD2 HIS 75 HD2 HIS 75 -19.782 4.144 4.293 555 HE1 HIS 75 HE1 HIS 75 -17.526 2.782 7.612 556 HE2 HIS 75 HE2 HIS 75 -17.706 4.508 5.791 557 H HIS 76 H HIS 76 -24.285 1.400 6.067 558 HA HIS 76 HA HIS 76 -25.533 1.959 7.865 559 HB2 HIS 76 2HB HIS 76 -23.081 3.585 8.546 560 HB3 HIS 76 1HB HIS 76 -24.485 3.502 9.605 561 HD1 HIS 76 HD1 HIS 76 -24.686 1.475 11.097 562 HD2 HIS 76 HD2 HIS 76 -21.707 1.062 8.229 563 HE1 HIS 76 HE1 HIS 76 -23.437 -0.607 11.721 564 HE2 HIS 76 HE2 HIS 76 -21.568 -0.770 10.052 565 H HIS 77 H HIS 77 -27.309 3.174 7.988 566 HA HIS 77 HA HIS 77 -27.422 5.662 6.479 567 HB2 HIS 77 2HB HIS 77 -29.465 3.799 7.627 568 HB3 HIS 77 1HB HIS 77 -29.935 5.458 7.274 569 HD1 HIS 77 HD1 HIS 77 -31.311 5.202 5.211 570 HD2 HIS 77 HD2 HIS 77 -27.714 3.146 4.960 571 HE1 HIS 77 HE1 HIS 77 -31.175 4.381 2.846 572 HE2 HIS 77 HE2 HIS 77 -28.901 3.325 2.674 573 H HIS 78 H HIS 78 -28.847 7.438 7.424 574 HA HIS 78 HA HIS 78 -27.790 8.077 10.100 575 HB2 HIS 78 2HB HIS 78 -28.278 10.480 9.433 576 HB3 HIS 78 1HB HIS 78 -26.997 9.674 8.538 577 HD1 HIS 78 HD1 HIS 78 -30.323 11.266 8.121 578 HD2 HIS 78 HD2 HIS 78 -27.629 9.090 5.825 579 HE1 HIS 78 HE1 HIS 78 -31.060 11.576 5.740 580 HE2 HIS 78 HE2 HIS 78 -29.452 10.204 4.376 Start of MODEL 9 1 H1 MET 1 1H MET 1 -3.325 -11.212 -2.842 2 H2 MET 1 2H MET 1 -1.898 -11.957 -3.349 3 H3 MET 1 3H MET 1 -2.227 -10.363 -3.807 4 HA MET 1 HA MET 1 -1.780 -11.306 -1.036 5 HB2 MET 1 2HB MET 1 0.360 -10.061 -1.169 6 HB3 MET 1 1HB MET 1 0.290 -11.420 -2.280 7 HG2 MET 1 2HG MET 1 -0.221 -9.863 -4.118 8 HG3 MET 1 1HG MET 1 -0.084 -8.514 -2.989 9 HE1 MET 1 3HE MET 1 1.699 -7.356 -4.580 10 HE2 MET 1 1HE MET 1 1.589 -8.699 -5.717 11 HE3 MET 1 2HE MET 1 3.167 -8.150 -5.148 12 H ASN 2 H ASN 2 -2.366 -9.935 0.538 13 HA ASN 2 HA ASN 2 -3.776 -7.509 -0.150 14 HB2 ASN 2 2HB ASN 2 -3.151 -8.707 2.564 15 HB3 ASN 2 1HB ASN 2 -4.278 -7.387 2.258 16 HD21 ASN 2 1HD2 ASN 2 -3.720 -10.799 1.964 17 HD22 ASN 2 2HD2 ASN 2 -5.346 -11.231 1.565 18 H LEU 3 H LEU 3 -2.892 -5.534 -0.297 19 HA LEU 3 HA LEU 3 -0.280 -5.047 1.004 20 HB2 LEU 3 2HB LEU 3 -1.149 -4.035 -1.707 21 HB3 LEU 3 1HB LEU 3 0.411 -3.775 -0.948 22 HG LEU 3 HG LEU 3 -0.672 -6.442 -1.879 23 HD11 LEU 3 1HD1 LEU 3 -0.093 -4.977 -3.733 24 HD12 LEU 3 2HD1 LEU 3 1.066 -6.297 -3.595 25 HD13 LEU 3 3HD1 LEU 3 1.495 -4.683 -3.026 26 HD21 LEU 3 3HD2 LEU 3 1.536 -7.320 -1.355 27 HD22 LEU 3 1HD2 LEU 3 0.787 -6.643 0.090 28 HD23 LEU 3 2HD2 LEU 3 2.045 -5.740 -0.755 29 H THR 4 H THR 4 0.139 -2.974 1.764 30 HA THR 4 HA THR 4 -2.170 -1.290 2.279 31 HB THR 4 HB THR 4 0.707 -0.738 3.063 32 HG1 THR 4 HG1 THR 4 0.379 -2.571 4.158 33 HG21 THR 4 3HG2 THR 4 -0.803 1.180 3.261 34 HG22 THR 4 1HG2 THR 4 -0.321 0.599 4.855 35 HG23 THR 4 2HG2 THR 4 -1.922 0.212 4.222 36 H VAL 5 H VAL 5 -2.631 -0.582 0.123 37 HA VAL 5 HA VAL 5 -0.576 0.912 -1.330 38 HB VAL 5 HB VAL 5 -3.435 0.295 -2.129 39 HG11 VAL 5 1HG1 VAL 5 -1.120 1.354 -3.766 40 HG12 VAL 5 2HG1 VAL 5 -2.562 2.254 -3.293 41 HG13 VAL 5 3HG1 VAL 5 -2.699 0.891 -4.403 42 HG21 VAL 5 3HG2 VAL 5 -2.132 -1.751 -1.883 43 HG22 VAL 5 1HG2 VAL 5 -0.856 -1.086 -2.904 44 HG23 VAL 5 2HG2 VAL 5 -2.446 -1.429 -3.587 45 H ASN 6 H ASN 6 -0.545 3.101 -1.593 46 HA ASN 6 HA ASN 6 -0.973 5.322 -1.231 47 HB2 ASN 6 2HB ASN 6 -3.834 4.463 -0.704 48 HB3 ASN 6 1HB ASN 6 -3.288 6.105 -1.008 49 HD21 ASN 6 1HD2 ASN 6 -1.483 5.412 -3.144 50 HD22 ASN 6 2HD2 ASN 6 -2.468 4.979 -4.493 51 H GLY 7 H GLY 7 -0.677 3.174 1.068 52 HA2 GLY 7 2HA GLY 7 -0.419 3.330 3.382 53 HA3 GLY 7 1HA GLY 7 -1.064 4.966 3.320 54 H LYS 8 H LYS 8 -2.888 2.576 1.703 55 HA LYS 8 HA LYS 8 -4.865 2.439 3.898 56 HB2 LYS 8 2HB LYS 8 -5.433 2.631 0.925 57 HB3 LYS 8 1HB LYS 8 -6.629 2.603 2.214 58 HG2 LYS 8 2HG LYS 8 -5.945 4.766 2.990 59 HG3 LYS 8 1HG LYS 8 -4.564 4.777 1.894 60 HD2 LYS 8 2HD LYS 8 -6.167 6.155 0.858 61 HD3 LYS 8 1HD LYS 8 -6.264 4.624 -0.007 62 HE2 LYS 8 2HE LYS 8 -8.132 5.518 2.196 63 HE3 LYS 8 1HE LYS 8 -8.484 5.586 0.472 64 HZ1 LYS 8 3HZ LYS 8 -9.503 3.658 1.341 65 HZ2 LYS 8 1HZ LYS 8 -8.096 3.165 2.137 66 HZ3 LYS 8 2HZ LYS 8 -8.173 3.124 0.450 67 HA PRO 9 HA PRO 9 -4.807 -1.986 3.274 68 HB2 PRO 9 2HB PRO 9 -7.362 -2.679 3.917 69 HB3 PRO 9 1HB PRO 9 -6.165 -2.182 5.119 70 HG2 PRO 9 2HG PRO 9 -8.344 -0.565 3.836 71 HG3 PRO 9 1HG PRO 9 -7.859 -0.632 5.542 72 HD2 PRO 9 2HD PRO 9 -7.086 1.374 3.897 73 HD3 PRO 9 1HD PRO 9 -6.052 0.782 5.215 74 H SER 10 H SER 10 -4.612 -2.781 1.252 75 HA SER 10 HA SER 10 -7.023 -3.104 -0.391 76 HB2 SER 10 2HB SER 10 -5.914 -1.099 -1.294 77 HB3 SER 10 1HB SER 10 -4.406 -1.998 -1.461 78 HG SER 10 HG SER 10 -6.336 -1.792 -3.232 79 H THR 11 H THR 11 -6.122 -4.455 -2.524 80 HA THR 11 HA THR 11 -4.135 -6.427 -1.865 81 HB THR 11 HB THR 11 -5.880 -7.332 -0.455 82 HG1 THR 11 HG1 THR 11 -5.960 -9.405 -1.371 83 HG21 THR 11 3HG2 THR 11 -7.623 -7.411 -2.926 84 HG22 THR 11 1HG2 THR 11 -7.834 -6.324 -1.552 85 HG23 THR 11 2HG2 THR 11 -8.040 -8.062 -1.342 86 H VAL 12 H VAL 12 -3.373 -7.440 -3.639 87 HA VAL 12 HA VAL 12 -4.888 -7.129 -6.151 88 HB VAL 12 HB VAL 12 -2.674 -7.567 -7.301 89 HG11 VAL 12 1HG1 VAL 12 -3.621 -5.319 -7.118 90 HG12 VAL 12 2HG1 VAL 12 -1.862 -5.276 -7.001 91 HG13 VAL 12 3HG1 VAL 12 -2.847 -5.110 -5.545 92 HG21 VAL 12 3HG2 VAL 12 -1.453 -8.597 -5.463 93 HG22 VAL 12 1HG2 VAL 12 -1.584 -7.118 -4.513 94 HG23 VAL 12 2HG2 VAL 12 -0.621 -7.135 -5.991 95 H ASP 13 H ASP 13 -6.193 -8.925 -5.832 96 HA ASP 13 HA ASP 13 -6.881 -11.065 -6.092 97 HB2 ASP 13 2HB ASP 13 -5.677 -10.842 -8.233 98 HB3 ASP 13 1HB ASP 13 -4.201 -11.415 -7.465 99 H GLY 14 H GLY 14 -6.278 -13.476 -5.645 100 HA2 GLY 14 2HA GLY 14 -5.142 -13.712 -3.028 101 HA3 GLY 14 1HA GLY 14 -5.691 -15.029 -4.051 102 H ALA 15 H ALA 15 -3.658 -13.483 -6.032 103 HA ALA 15 HA ALA 15 -1.602 -15.270 -6.147 104 HB1 ALA 15 3HB ALA 15 -1.988 -13.523 -7.811 105 HB2 ALA 15 1HB ALA 15 -0.302 -13.543 -7.293 106 HB3 ALA 15 2HB ALA 15 -1.400 -12.305 -6.679 107 H GLU 16 H GLU 16 0.134 -15.785 -4.975 108 HA GLU 16 HA GLU 16 0.326 -14.847 -2.317 109 HB2 GLU 16 2HB GLU 16 2.343 -16.556 -3.785 110 HB3 GLU 16 1HB GLU 16 2.147 -16.422 -2.046 111 HG2 GLU 16 2HG GLU 16 1.122 -18.438 -2.515 112 HG3 GLU 16 1HG GLU 16 -0.244 -17.326 -2.476 113 H SER 17 H SER 17 2.921 -14.783 -4.794 114 HA SER 17 HA SER 17 3.871 -12.239 -3.639 115 HB2 SER 17 2HB SER 17 6.212 -13.050 -3.835 116 HB3 SER 17 1HB SER 17 5.271 -14.010 -2.696 117 HG SER 17 HG SER 17 5.499 -14.807 -5.402 118 H LEU 18 H LEU 18 4.156 -10.714 -5.135 119 HA LEU 18 HA LEU 18 4.789 -11.502 -7.913 120 HB2 LEU 18 2HB LEU 18 2.747 -9.426 -7.101 121 HB3 LEU 18 1HB LEU 18 3.251 -9.765 -8.743 122 HG LEU 18 HG LEU 18 1.776 -11.685 -6.931 123 HD11 LEU 18 1HD1 LEU 18 0.361 -9.838 -7.628 124 HD12 LEU 18 2HD1 LEU 18 -0.110 -11.319 -8.461 125 HD13 LEU 18 3HD1 LEU 18 0.824 -10.090 -9.313 126 HD21 LEU 18 3HD2 LEU 18 1.560 -13.092 -8.920 127 HD22 LEU 18 1HD2 LEU 18 3.255 -12.851 -8.495 128 HD23 LEU 18 2HD2 LEU 18 2.548 -11.958 -9.842 129 H ASN 19 H ASN 19 6.203 -10.168 -8.993 130 HA ASN 19 HA ASN 19 7.877 -8.380 -7.627 131 HB2 ASN 19 2HB ASN 19 7.342 -8.289 -10.604 132 HB3 ASN 19 1HB ASN 19 8.802 -7.794 -9.762 133 HD21 ASN 19 1HD2 ASN 19 10.015 -9.148 -11.092 134 HD22 ASN 19 2HD2 ASN 19 10.035 -10.856 -10.860 135 H VAL 20 H VAL 20 8.129 -5.998 -8.030 136 HA VAL 20 HA VAL 20 5.737 -4.550 -7.676 137 HB VAL 20 HB VAL 20 8.341 -3.432 -8.746 138 HG11 VAL 20 1HG1 VAL 20 6.064 -2.101 -7.262 139 HG12 VAL 20 2HG1 VAL 20 6.456 -1.895 -8.970 140 HG13 VAL 20 3HG1 VAL 20 7.578 -1.327 -7.735 141 HG21 VAL 20 3HG2 VAL 20 8.727 -4.683 -6.676 142 HG22 VAL 20 1HG2 VAL 20 7.453 -3.766 -5.873 143 HG23 VAL 20 2HG2 VAL 20 8.921 -2.951 -6.415 144 H THR 21 H THR 21 7.697 -5.135 -10.587 145 HA THR 21 HA THR 21 6.143 -3.734 -12.449 146 HB THR 21 HB THR 21 7.624 -6.341 -12.914 147 HG1 THR 21 HG1 THR 21 9.104 -4.496 -13.833 148 HG21 THR 21 3HG2 THR 21 7.779 -5.559 -15.254 149 HG22 THR 21 1HG2 THR 21 6.751 -4.184 -14.850 150 HG23 THR 21 2HG2 THR 21 6.107 -5.824 -14.757 151 H GLU 22 H GLU 22 5.877 -7.170 -11.448 152 HA GLU 22 HA GLU 22 3.559 -7.812 -12.883 153 HB2 GLU 22 2HB GLU 22 5.075 -8.974 -10.682 154 HB3 GLU 22 1HB GLU 22 3.350 -9.231 -10.471 155 HG2 GLU 22 2HG GLU 22 4.854 -9.937 -12.984 156 HG3 GLU 22 1HG GLU 22 4.553 -11.062 -11.659 157 H LEU 23 H LEU 23 3.921 -6.251 -9.738 158 HA LEU 23 HA LEU 23 1.236 -6.166 -8.930 159 HB2 LEU 23 2HB LEU 23 3.347 -5.566 -7.622 160 HB3 LEU 23 1HB LEU 23 3.290 -4.008 -8.414 161 HG LEU 23 HG LEU 23 1.084 -5.082 -6.637 162 HD11 LEU 23 1HD1 LEU 23 3.338 -3.184 -5.967 163 HD12 LEU 23 2HD1 LEU 23 3.117 -4.820 -5.342 164 HD13 LEU 23 3HD1 LEU 23 1.963 -3.553 -4.923 165 HD21 LEU 23 3HD2 LEU 23 1.603 -2.299 -7.707 166 HD22 LEU 23 1HD2 LEU 23 0.344 -2.735 -6.550 167 HD23 LEU 23 2HD2 LEU 23 0.294 -3.378 -8.188 168 H LEU 24 H LEU 24 3.141 -3.858 -10.850 169 HA LEU 24 HA LEU 24 1.181 -1.937 -11.358 170 HB2 LEU 24 2HB LEU 24 3.390 -2.882 -13.196 171 HB3 LEU 24 1HB LEU 24 2.506 -1.378 -13.367 172 HG LEU 24 HG LEU 24 4.229 -2.056 -10.976 173 HD11 LEU 24 1HD1 LEU 24 5.874 -0.510 -11.914 174 HD12 LEU 24 2HD1 LEU 24 4.887 -0.328 -13.365 175 HD13 LEU 24 3HD1 LEU 24 5.610 -1.890 -12.981 176 HD21 LEU 24 3HD2 LEU 24 4.034 0.326 -10.469 177 HD22 LEU 24 1HD2 LEU 24 2.453 -0.449 -10.509 178 HD23 LEU 24 2HD2 LEU 24 2.981 0.544 -11.866 179 H SER 25 H SER 25 1.837 -4.989 -13.027 180 HA SER 25 HA SER 25 -0.188 -4.587 -15.037 181 HB2 SER 25 2HB SER 25 1.451 -7.006 -14.253 182 HB3 SER 25 1HB SER 25 0.269 -7.025 -15.561 183 HG SER 25 HG SER 25 2.802 -6.102 -15.571 184 H ALA 26 H ALA 26 -0.096 -6.090 -11.870 185 HA ALA 26 HA ALA 26 -2.546 -7.565 -12.193 186 HB1 ALA 26 3HB ALA 26 -1.054 -6.845 -9.667 187 HB2 ALA 26 1HB ALA 26 -0.810 -8.300 -10.633 188 HB3 ALA 26 2HB ALA 26 -2.345 -8.039 -9.807 189 H LEU 27 H LEU 27 -1.653 -4.577 -10.493 190 HA LEU 27 HA LEU 27 -4.341 -3.989 -9.656 191 HB2 LEU 27 2HB LEU 27 -2.168 -3.332 -8.491 192 HB3 LEU 27 1HB LEU 27 -1.974 -2.105 -9.721 193 HG LEU 27 HG LEU 27 -4.479 -2.150 -8.056 194 HD11 LEU 27 1HD1 LEU 27 -1.837 -0.949 -7.215 195 HD12 LEU 27 2HD1 LEU 27 -2.673 -2.293 -6.436 196 HD13 LEU 27 3HD1 LEU 27 -3.388 -0.680 -6.418 197 HD21 LEU 27 3HD2 LEU 27 -4.396 -0.602 -9.944 198 HD22 LEU 27 1HD2 LEU 27 -2.890 0.085 -9.336 199 HD23 LEU 27 2HD2 LEU 27 -4.385 0.280 -8.419 200 H LYS 28 H LYS 28 -2.583 -3.566 -12.533 201 HA LYS 28 HA LYS 28 -3.003 -2.583 -14.532 202 HB2 LYS 28 2HB LYS 28 -5.747 -1.859 -13.468 203 HB3 LYS 28 1HB LYS 28 -5.261 -1.975 -15.153 204 HG2 LYS 28 2HG LYS 28 -5.449 -4.272 -13.201 205 HG3 LYS 28 1HG LYS 28 -6.602 -3.895 -14.482 206 HD2 LYS 28 2HD LYS 28 -4.952 -4.365 -16.180 207 HD3 LYS 28 1HD LYS 28 -3.690 -4.557 -14.960 208 HE2 LYS 28 2HE LYS 28 -4.433 -6.733 -15.744 209 HE3 LYS 28 1HE LYS 28 -4.881 -6.514 -14.054 210 HZ1 LYS 28 3HZ LYS 28 -7.128 -5.969 -14.764 211 HZ2 LYS 28 1HZ LYS 28 -6.676 -7.497 -15.331 212 HZ3 LYS 28 2HZ LYS 28 -6.691 -6.173 -16.386 213 H VAL 29 H VAL 29 -1.363 -1.059 -13.793 214 HA VAL 29 HA VAL 29 -2.378 1.549 -12.868 215 HB VAL 29 HB VAL 29 0.457 0.485 -12.813 216 HG11 VAL 29 1HG1 VAL 29 0.373 2.930 -12.919 217 HG12 VAL 29 2HG1 VAL 29 0.930 2.385 -11.338 218 HG13 VAL 29 3HG1 VAL 29 -0.725 2.962 -11.537 219 HG21 VAL 29 3HG2 VAL 29 -1.569 0.723 -10.581 220 HG22 VAL 29 1HG2 VAL 29 0.115 0.236 -10.394 221 HG23 VAL 29 2HG2 VAL 29 -0.997 -0.776 -11.313 222 H ALA 30 H ALA 30 -2.352 3.284 -14.178 223 HA ALA 30 HA ALA 30 -0.973 3.284 -16.727 224 HB1 ALA 30 3HB ALA 30 -1.930 5.516 -17.014 225 HB2 ALA 30 1HB ALA 30 -2.464 5.517 -15.330 226 HB3 ALA 30 2HB ALA 30 -3.165 4.376 -16.478 227 H GLN 31 H GLN 31 0.764 4.703 -17.307 228 HA GLN 31 HA GLN 31 2.880 5.500 -17.010 229 HB2 GLN 31 2HB GLN 31 1.738 6.620 -14.433 230 HB3 GLN 31 1HB GLN 31 3.304 7.044 -15.102 231 HG2 GLN 31 2HG GLN 31 2.229 7.998 -17.067 232 HG3 GLN 31 1HG GLN 31 0.648 7.540 -16.437 233 HE21 GLN 31 1HE2 GLN 31 -0.185 8.659 -14.654 234 HE22 GLN 31 2HE2 GLN 31 0.419 10.207 -14.192 235 H ALA 32 H ALA 32 2.302 2.842 -16.170 236 HA ALA 32 HA ALA 32 3.142 2.073 -13.641 237 HB1 ALA 32 3HB ALA 32 3.513 -0.140 -14.603 238 HB2 ALA 32 1HB ALA 32 3.482 0.551 -16.226 239 HB3 ALA 32 2HB ALA 32 2.029 0.582 -15.227 240 H GLU 33 H GLU 33 5.137 2.234 -16.603 241 HA GLU 33 HA GLU 33 7.574 1.547 -15.287 242 HB2 GLU 33 2HB GLU 33 7.196 1.196 -17.695 243 HB3 GLU 33 1HB GLU 33 7.110 2.933 -17.942 244 HG2 GLU 33 2HG GLU 33 9.452 3.150 -17.252 245 HG3 GLU 33 1HG GLU 33 9.536 1.408 -16.994 246 H TYR 34 H TYR 34 5.785 4.405 -15.222 247 HA TYR 34 HA TYR 34 8.176 6.080 -14.747 248 HB2 TYR 34 2HB TYR 34 5.484 7.000 -15.784 249 HB3 TYR 34 1HB TYR 34 6.947 7.970 -15.640 250 HD1 TYR 34 HD1 TYR 34 8.922 7.418 -17.101 251 HD2 TYR 34 HD2 TYR 34 5.094 5.656 -17.710 252 HE1 TYR 34 HE1 TYR 34 9.593 6.750 -19.367 253 HE2 TYR 34 HE2 TYR 34 5.760 4.985 -19.979 254 HH TYR 34 HH TYR 34 8.963 5.007 -21.028 255 H VAL 35 H VAL 35 5.829 4.576 -13.071 256 HA VAL 35 HA VAL 35 4.730 6.687 -11.482 257 HB VAL 35 HB VAL 35 3.594 4.484 -11.832 258 HG11 VAL 35 1HG1 VAL 35 5.540 3.022 -11.598 259 HG12 VAL 35 2HG1 VAL 35 4.248 2.556 -10.493 260 HG13 VAL 35 3HG1 VAL 35 5.650 3.436 -9.884 261 HG21 VAL 35 3HG2 VAL 35 2.722 4.291 -9.547 262 HG22 VAL 35 1HG2 VAL 35 2.890 5.980 -10.035 263 HG23 VAL 35 2HG2 VAL 35 4.074 5.253 -8.949 264 H THR 36 H THR 36 5.237 7.334 -9.391 265 HA THR 36 HA THR 36 7.869 6.507 -8.363 266 HB THR 36 HB THR 36 6.136 8.801 -7.388 267 HG1 THR 36 HG1 THR 36 7.664 8.596 -9.611 268 HG21 THR 36 3HG2 THR 36 7.748 7.981 -5.726 269 HG22 THR 36 1HG2 THR 36 8.215 9.574 -6.319 270 HG23 THR 36 2HG2 THR 36 9.054 8.137 -6.902 271 H VAL 37 H VAL 37 7.716 4.764 -7.054 272 HA VAL 37 HA VAL 37 5.768 4.877 -4.843 273 HB VAL 37 HB VAL 37 5.465 2.429 -4.955 274 HG11 VAL 37 1HG1 VAL 37 3.805 3.866 -5.984 275 HG12 VAL 37 2HG1 VAL 37 3.992 2.383 -6.920 276 HG13 VAL 37 3HG1 VAL 37 4.720 3.885 -7.492 277 HG21 VAL 37 3HG2 VAL 37 6.970 2.601 -7.572 278 HG22 VAL 37 1HG2 VAL 37 6.144 1.174 -6.943 279 HG23 VAL 37 2HG2 VAL 37 7.546 1.827 -6.094 280 H GLU 38 H GLU 38 6.603 4.528 -2.879 281 HA GLU 38 HA GLU 38 9.336 3.457 -2.694 282 HB2 GLU 38 2HB GLU 38 9.203 4.388 -0.310 283 HB3 GLU 38 1HB GLU 38 9.325 5.538 -1.630 284 HG2 GLU 38 2HG GLU 38 6.601 4.837 -0.661 285 HG3 GLU 38 1HG GLU 38 7.612 5.843 0.373 286 H LEU 39 H LEU 39 9.692 1.506 -1.928 287 HA LEU 39 HA LEU 39 7.555 -0.189 -1.019 288 HB2 LEU 39 2HB LEU 39 10.011 -0.560 -2.258 289 HB3 LEU 39 1HB LEU 39 10.304 -1.171 -0.642 290 HG LEU 39 HG LEU 39 9.649 -2.945 -2.221 291 HD11 LEU 39 1HD1 LEU 39 9.158 -3.219 0.151 292 HD12 LEU 39 2HD1 LEU 39 7.942 -4.003 -0.857 293 HD13 LEU 39 3HD1 LEU 39 7.583 -2.460 -0.080 294 HD21 LEU 39 3HD2 LEU 39 8.200 -1.624 -3.683 295 HD22 LEU 39 1HD2 LEU 39 7.006 -1.489 -2.390 296 HD23 LEU 39 2HD2 LEU 39 7.371 -3.065 -3.093 297 H ASN 40 H ASN 40 6.775 0.081 0.995 298 HA ASN 40 HA ASN 40 6.601 0.541 3.216 299 HB2 ASN 40 2HB ASN 40 9.214 -0.984 3.240 300 HB3 ASN 40 1HB ASN 40 8.296 -0.582 4.689 301 HD21 ASN 40 1HD2 ASN 40 8.471 -2.574 1.889 302 HD22 ASN 40 2HD2 ASN 40 7.163 -3.623 2.291 303 H GLY 41 H GLY 41 7.989 2.553 1.551 304 HA2 GLY 41 2HA GLY 41 8.459 4.763 2.378 305 HA3 GLY 41 1HA GLY 41 9.256 4.042 3.763 306 H GLU 42 H GLU 42 10.239 2.361 1.045 307 HA GLU 42 HA GLU 42 12.585 4.125 0.650 308 HB2 GLU 42 2HB GLU 42 13.164 2.066 1.859 309 HB3 GLU 42 1HB GLU 42 12.472 1.100 0.562 310 HG2 GLU 42 2HG GLU 42 14.168 2.041 -0.985 311 HG3 GLU 42 1HG GLU 42 14.892 2.895 0.377 312 H VAL 43 H VAL 43 12.331 5.111 -1.273 313 HA VAL 43 HA VAL 43 10.802 4.184 -3.432 314 HB VAL 43 HB VAL 43 11.381 6.539 -3.162 315 HG11 VAL 43 1HG1 VAL 43 13.663 6.284 -2.342 316 HG12 VAL 43 2HG1 VAL 43 13.600 7.392 -3.712 317 HG13 VAL 43 3HG1 VAL 43 14.188 5.743 -3.938 318 HG21 VAL 43 3HG2 VAL 43 11.874 7.080 -5.500 319 HG22 VAL 43 1HG2 VAL 43 10.722 5.748 -5.384 320 HG23 VAL 43 2HG2 VAL 43 12.410 5.421 -5.779 321 H LEU 44 H LEU 44 11.224 3.034 -5.268 322 HA LEU 44 HA LEU 44 13.703 1.467 -5.293 323 HB2 LEU 44 2HB LEU 44 11.189 1.127 -6.950 324 HB3 LEU 44 1HB LEU 44 12.558 0.036 -6.932 325 HG LEU 44 HG LEU 44 10.892 -1.001 -5.629 326 HD11 LEU 44 1HD1 LEU 44 11.852 -1.123 -3.392 327 HD12 LEU 44 2HD1 LEU 44 12.791 0.338 -3.706 328 HD13 LEU 44 3HD1 LEU 44 13.107 -1.128 -4.633 329 HD21 LEU 44 3HD2 LEU 44 9.442 0.948 -5.314 330 HD22 LEU 44 1HD2 LEU 44 10.553 1.580 -4.096 331 HD23 LEU 44 2HD2 LEU 44 9.692 0.070 -3.807 332 H GLU 45 H GLU 45 15.031 1.237 -7.125 333 HA GLU 45 HA GLU 45 15.260 3.479 -8.879 334 HB2 GLU 45 2HB GLU 45 16.617 0.775 -8.837 335 HB3 GLU 45 1HB GLU 45 16.976 1.995 -10.051 336 HG2 GLU 45 2HG GLU 45 18.626 2.027 -8.277 337 HG3 GLU 45 1HG GLU 45 17.714 3.533 -8.311 338 H ARG 46 H ARG 46 15.297 3.271 -11.282 339 HA ARG 46 HA ARG 46 12.759 2.759 -12.235 340 HB2 ARG 46 2HB ARG 46 14.609 4.155 -13.290 341 HB3 ARG 46 1HB ARG 46 15.229 2.658 -13.973 342 HG2 ARG 46 2HG ARG 46 13.085 2.325 -15.142 343 HG3 ARG 46 1HG ARG 46 12.507 3.857 -14.483 344 HD2 ARG 46 2HD ARG 46 14.545 4.920 -15.583 345 HD3 ARG 46 1HD ARG 46 14.743 3.396 -16.449 346 HE ARG 46 HE ARG 46 12.382 5.154 -16.663 347 HH11 ARG 46 1HH1 ARG 46 14.531 2.818 -18.024 348 HH12 ARG 46 2HH1 ARG 46 13.808 2.918 -19.591 349 HH21 ARG 46 1HH2 ARG 46 11.500 5.301 -18.666 350 HH22 ARG 46 2HH2 ARG 46 12.099 4.310 -19.952 351 H GLU 47 H GLU 47 15.618 0.641 -12.558 352 HA GLU 47 HA GLU 47 13.994 -1.430 -13.823 353 HB2 GLU 47 2HB GLU 47 16.161 -2.661 -14.000 354 HB3 GLU 47 1HB GLU 47 16.149 -1.093 -14.796 355 HG2 GLU 47 2HG GLU 47 17.354 -0.114 -12.909 356 HG3 GLU 47 1HG GLU 47 17.342 -1.676 -12.089 357 H ALA 48 H ALA 48 14.680 -0.574 -10.672 358 HA ALA 48 HA ALA 48 15.104 -3.113 -9.461 359 HB1 ALA 48 3HB ALA 48 15.664 -1.022 -8.326 360 HB2 ALA 48 1HB ALA 48 14.560 -1.996 -7.355 361 HB3 ALA 48 2HB ALA 48 13.955 -0.598 -8.246 362 H PHE 49 H PHE 49 12.253 -1.410 -10.516 363 HA PHE 49 HA PHE 49 10.194 -2.624 -9.134 364 HB2 PHE 49 2HB PHE 49 10.331 -1.829 -12.053 365 HB3 PHE 49 1HB PHE 49 8.842 -2.321 -11.256 366 HD1 PHE 49 HD2 PHE 49 11.603 0.181 -10.982 367 HD2 PHE 49 HD1 PHE 49 7.509 -0.719 -10.244 368 HE1 PHE 49 HE2 PHE 49 11.230 2.499 -10.262 369 HE2 PHE 49 HE1 PHE 49 7.129 1.603 -9.526 370 HZ PHE 49 HZ PHE 49 8.991 3.214 -9.531 371 H ASP 50 H ASP 50 12.066 -3.915 -11.825 372 HA ASP 50 HA ASP 50 10.454 -6.234 -12.251 373 HB2 ASP 50 2HB ASP 50 12.012 -5.111 -13.926 374 HB3 ASP 50 1HB ASP 50 13.349 -5.863 -13.062 375 H ALA 51 H ALA 51 13.440 -5.602 -10.448 376 HA ALA 51 HA ALA 51 13.823 -8.421 -9.854 377 HB1 ALA 51 3HB ALA 51 15.922 -7.741 -8.861 378 HB2 ALA 51 1HB ALA 51 15.456 -6.043 -8.970 379 HB3 ALA 51 2HB ALA 51 15.728 -6.979 -10.439 380 H THR 52 H THR 52 11.944 -6.059 -8.440 381 HA THR 52 HA THR 52 12.470 -6.979 -5.687 382 HB THR 52 HB THR 52 10.851 -4.593 -6.618 383 HG1 THR 52 HG1 THR 52 13.047 -4.208 -6.884 384 HG21 THR 52 3HG2 THR 52 11.633 -5.447 -3.821 385 HG22 THR 52 1HG2 THR 52 10.002 -5.484 -4.493 386 HG23 THR 52 2HG2 THR 52 10.820 -3.941 -4.246 387 H THR 53 H THR 53 11.214 -8.529 -4.903 388 HA THR 53 HA THR 53 8.575 -9.015 -6.117 389 HB THR 53 HB THR 53 8.679 -11.235 -5.001 390 HG1 THR 53 HG1 THR 53 10.197 -10.488 -3.317 391 HG21 THR 53 3HG2 THR 53 11.059 -10.561 -6.744 392 HG22 THR 53 1HG2 THR 53 9.451 -11.013 -7.310 393 HG23 THR 53 2HG2 THR 53 10.444 -12.185 -6.441 394 H VAL 54 H VAL 54 6.861 -8.275 -5.109 395 HA VAL 54 HA VAL 54 6.897 -7.655 -2.261 396 HB VAL 54 HB VAL 54 4.692 -7.182 -4.289 397 HG11 VAL 54 1HG1 VAL 54 3.863 -5.524 -2.680 398 HG12 VAL 54 2HG1 VAL 54 5.151 -5.965 -1.559 399 HG13 VAL 54 3HG1 VAL 54 3.903 -7.140 -1.974 400 HG21 VAL 54 3HG2 VAL 54 6.757 -6.029 -4.952 401 HG22 VAL 54 1HG2 VAL 54 6.847 -5.274 -3.359 402 HG23 VAL 54 2HG2 VAL 54 5.515 -4.884 -4.448 403 H LYS 55 H LYS 55 5.245 -8.429 -0.815 404 HA LYS 55 HA LYS 55 3.805 -10.852 -1.628 405 HB2 LYS 55 2HB LYS 55 4.627 -11.990 0.470 406 HB3 LYS 55 1HB LYS 55 5.849 -11.749 -0.771 407 HG2 LYS 55 2HG LYS 55 6.606 -9.711 0.450 408 HG3 LYS 55 1HG LYS 55 5.477 -10.130 1.744 409 HD2 LYS 55 2HD LYS 55 6.650 -12.259 2.076 410 HD3 LYS 55 1HD LYS 55 7.763 -11.855 0.767 411 HE2 LYS 55 2HE LYS 55 8.453 -9.837 2.071 412 HE3 LYS 55 1HE LYS 55 7.456 -10.415 3.405 413 HZ1 LYS 55 3HZ LYS 55 8.803 -12.445 3.448 414 HZ2 LYS 55 1HZ LYS 55 9.739 -11.063 3.723 415 HZ3 LYS 55 2HZ LYS 55 9.780 -11.825 2.217 416 H ASP 56 H ASP 56 2.491 -11.665 0.434 417 HA ASP 56 HA ASP 56 0.563 -9.666 0.919 418 HB2 ASP 56 2HB ASP 56 0.291 -12.231 0.910 419 HB3 ASP 56 1HB ASP 56 0.837 -12.169 2.584 420 H GLY 57 H GLY 57 0.148 -8.349 2.638 421 HA2 GLY 57 2HA GLY 57 0.391 -7.352 4.722 422 HA3 GLY 57 1HA GLY 57 1.585 -8.568 5.140 423 H ASP 58 H ASP 58 1.751 -6.501 2.284 424 HA ASP 58 HA ASP 58 4.171 -5.238 3.408 425 HB2 ASP 58 2HB ASP 58 4.353 -6.709 1.335 426 HB3 ASP 58 1HB ASP 58 3.447 -5.468 0.478 427 H ALA 59 H ALA 59 4.580 -2.998 2.116 428 HA ALA 59 HA ALA 59 2.070 -1.482 1.952 429 HB1 ALA 59 3HB ALA 59 2.859 -1.292 4.273 430 HB2 ALA 59 1HB ALA 59 2.874 0.258 3.431 431 HB3 ALA 59 2HB ALA 59 4.381 -0.621 3.690 432 H VAL 60 H VAL 60 2.398 -1.219 -0.278 433 HA VAL 60 HA VAL 60 4.751 0.310 -1.128 434 HB VAL 60 HB VAL 60 4.251 -1.599 -2.518 435 HG11 VAL 60 1HG1 VAL 60 1.522 -0.390 -2.989 436 HG12 VAL 60 2HG1 VAL 60 1.864 -1.834 -2.037 437 HG13 VAL 60 3HG1 VAL 60 2.168 -1.832 -3.773 438 HG21 VAL 60 3HG2 VAL 60 4.073 -0.527 -4.712 439 HG22 VAL 60 1HG2 VAL 60 5.146 0.375 -3.643 440 HG23 VAL 60 2HG2 VAL 60 3.509 0.958 -3.946 441 H GLU 61 H GLU 61 4.626 2.470 -1.135 442 HA GLU 61 HA GLU 61 2.040 3.769 -0.952 443 HB2 GLU 61 2HB GLU 61 4.847 4.885 -0.838 444 HB3 GLU 61 1HB GLU 61 3.393 5.859 -0.662 445 HG2 GLU 61 2HG GLU 61 2.760 4.489 1.303 446 HG3 GLU 61 1HG GLU 61 4.288 3.624 1.152 447 H PHE 62 H PHE 62 1.126 3.500 -2.993 448 HA PHE 62 HA PHE 62 2.280 4.746 -5.316 449 HB2 PHE 62 2HB PHE 62 -0.322 3.431 -4.660 450 HB3 PHE 62 1HB PHE 62 -0.314 4.570 -6.002 451 HD1 PHE 62 HD2 PHE 62 1.039 1.368 -4.768 452 HD2 PHE 62 HD1 PHE 62 0.767 4.066 -8.056 453 HE1 PHE 62 HE2 PHE 62 1.924 -0.374 -6.270 454 HE2 PHE 62 HE1 PHE 62 1.650 2.331 -9.556 455 HZ PHE 62 HZ PHE 62 2.231 0.114 -8.669 456 H LEU 63 H LEU 63 2.407 6.885 -5.621 457 HA LEU 63 HA LEU 63 0.243 8.592 -4.547 458 HB2 LEU 63 2HB LEU 63 3.149 9.368 -4.867 459 HB3 LEU 63 1HB LEU 63 1.871 10.391 -4.243 460 HG LEU 63 HG LEU 63 2.950 7.894 -2.924 461 HD11 LEU 63 1HD1 LEU 63 3.802 9.419 -1.225 462 HD12 LEU 63 2HD1 LEU 63 3.206 10.799 -2.147 463 HD13 LEU 63 3HD1 LEU 63 4.487 9.783 -2.809 464 HD21 LEU 63 3HD2 LEU 63 0.828 9.826 -1.962 465 HD22 LEU 63 1HD2 LEU 63 1.516 8.496 -1.026 466 HD23 LEU 63 2HD2 LEU 63 0.562 8.156 -2.470 467 H TYR 64 H TYR 64 -0.706 10.005 -5.951 468 HA TYR 64 HA TYR 64 -0.085 9.699 -8.744 469 HB2 TYR 64 2HB TYR 64 -2.058 10.978 -9.209 470 HB3 TYR 64 1HB TYR 64 -2.418 9.835 -7.929 471 HD1 TYR 64 HD2 TYR 64 -1.188 11.593 -5.628 472 HD2 TYR 64 HD1 TYR 64 -3.869 12.436 -8.830 473 HE1 TYR 64 HE2 TYR 64 -2.192 13.404 -4.308 474 HE2 TYR 64 HE1 TYR 64 -4.875 14.244 -7.513 475 HH TYR 64 HH TYR 64 -3.492 15.460 -4.656 476 H PHE 65 H PHE 65 2.004 10.948 -7.230 477 HA PHE 65 HA PHE 65 3.649 12.446 -7.599 478 HB2 PHE 65 2HB PHE 65 2.028 13.205 -10.040 479 HB3 PHE 65 1HB PHE 65 3.679 13.725 -9.720 480 HD1 PHE 65 HD1 PHE 65 5.528 12.080 -9.756 481 HD2 PHE 65 HD2 PHE 65 1.555 11.016 -10.882 482 HE1 PHE 65 HE1 PHE 65 6.383 10.059 -10.870 483 HE2 PHE 65 HE2 PHE 65 2.408 8.997 -11.994 484 HZ PHE 65 HZ PHE 65 4.824 8.517 -11.992 485 H MET 66 H MET 66 4.255 14.559 -7.111 486 HA MET 66 HA MET 66 2.325 16.238 -5.840 487 HB2 MET 66 2HB MET 66 5.188 16.825 -6.638 488 HB3 MET 66 1HB MET 66 4.202 17.850 -5.604 489 HG2 MET 66 2HG MET 66 4.063 16.066 -3.952 490 HG3 MET 66 1HG MET 66 5.022 15.014 -4.993 491 HE1 MET 66 3HE MET 66 7.500 15.850 -2.058 492 HE2 MET 66 1HE MET 66 6.728 14.563 -2.985 493 HE3 MET 66 2HE MET 66 5.758 15.605 -1.940 494 H GLY 67 H GLY 67 0.841 16.403 -7.674 495 HA2 GLY 67 2HA GLY 67 1.389 18.823 -9.230 496 HA3 GLY 67 1HA GLY 67 1.070 17.360 -10.147 497 H GLY 68 H GLY 68 -0.848 16.678 -7.750 498 HA2 GLY 68 2HA GLY 68 -3.023 17.108 -7.099 499 HA3 GLY 68 1HA GLY 68 -2.933 18.648 -7.934 500 H GLY 69 H GLY 69 -2.769 18.236 -10.495 501 HA2 GLY 69 2HA GLY 69 -3.745 17.338 -12.406 502 HA3 GLY 69 1HA GLY 69 -4.407 16.038 -11.429 503 H LYS 70 H LYS 70 -4.813 19.537 -11.064 504 HA LYS 70 HA LYS 70 -6.605 20.908 -11.029 505 HB2 LYS 70 2HB LYS 70 -7.779 18.791 -12.834 506 HB3 LYS 70 1HB LYS 70 -8.629 20.275 -12.425 507 HG2 LYS 70 2HG LYS 70 -5.951 20.118 -13.809 508 HG3 LYS 70 1HG LYS 70 -7.502 20.418 -14.598 509 HD2 LYS 70 2HD LYS 70 -7.771 22.466 -13.246 510 HD3 LYS 70 1HD LYS 70 -6.200 22.171 -12.502 511 HE2 LYS 70 2HE LYS 70 -5.101 22.416 -14.650 512 HE3 LYS 70 1HE LYS 70 -6.658 22.598 -15.456 513 HZ1 LYS 70 3HZ LYS 70 -7.027 24.645 -14.265 514 HZ2 LYS 70 1HZ LYS 70 -5.543 24.729 -15.072 515 HZ3 LYS 70 2HZ LYS 70 -5.583 24.460 -13.401 516 H LEU 71 H LEU 71 -8.763 21.237 -10.121 517 HA LEU 71 HA LEU 71 -9.104 19.588 -7.779 518 HB2 LEU 71 2HB LEU 71 -9.418 22.213 -8.173 519 HB3 LEU 71 1HB LEU 71 -11.070 21.723 -8.493 520 HG LEU 71 HG LEU 71 -9.546 21.218 -5.924 521 HD11 LEU 71 1HD1 LEU 71 -10.109 23.565 -6.203 522 HD12 LEU 71 2HD1 LEU 71 -11.099 22.838 -4.939 523 HD13 LEU 71 3HD1 LEU 71 -11.789 23.143 -6.533 524 HD21 LEU 71 3HD2 LEU 71 -11.146 19.438 -6.332 525 HD22 LEU 71 1HD2 LEU 71 -12.418 20.621 -6.638 526 HD23 LEU 71 2HD2 LEU 71 -11.713 20.479 -5.027 527 H GLU 72 H GLU 72 -9.811 17.593 -8.479 528 HA GLU 72 HA GLU 72 -11.610 16.996 -10.473 529 HB2 GLU 72 2HB GLU 72 -12.019 14.848 -8.989 530 HB3 GLU 72 1HB GLU 72 -10.483 15.137 -9.786 531 HG2 GLU 72 2HG GLU 72 -10.102 14.354 -7.543 532 HG3 GLU 72 1HG GLU 72 -9.562 16.023 -7.687 533 H HIS 73 H HIS 73 -12.409 17.755 -7.116 534 HA HIS 73 HA HIS 73 -15.005 18.649 -7.790 535 HB2 HIS 73 2HB HIS 73 -15.355 16.138 -7.872 536 HB3 HIS 73 1HB HIS 73 -15.002 16.099 -6.147 537 HD1 HIS 73 HD1 HIS 73 -16.944 16.488 -4.612 538 HD2 HIS 73 HD2 HIS 73 -17.731 17.734 -8.502 539 HE1 HIS 73 HE1 HIS 73 -19.364 17.168 -4.627 540 HE2 HIS 73 HE2 HIS 73 -19.847 17.804 -7.011 541 H HIS 74 H HIS 74 -13.285 17.112 -5.058 542 HA HIS 74 HA HIS 74 -12.644 19.486 -3.752 543 HB2 HIS 74 2HB HIS 74 -15.174 19.548 -3.403 544 HB3 HIS 74 1HB HIS 74 -14.970 18.161 -2.342 545 HD1 HIS 74 HD1 HIS 74 -14.799 21.816 -2.389 546 HD2 HIS 74 HD2 HIS 74 -13.336 18.761 0.013 547 HE1 HIS 74 HE1 HIS 74 -14.112 22.919 -0.246 548 HE2 HIS 74 HE2 HIS 74 -13.066 21.084 1.111 549 H HIS 75 H HIS 75 -10.918 17.692 -4.063 550 HA HIS 75 HA HIS 75 -10.780 15.595 -2.161 551 HB2 HIS 75 2HB HIS 75 -8.370 15.476 -2.748 552 HB3 HIS 75 1HB HIS 75 -9.421 15.483 -4.155 553 HD1 HIS 75 HD1 HIS 75 -6.354 16.309 -4.071 554 HD2 HIS 75 HD2 HIS 75 -9.599 18.903 -4.220 555 HE1 HIS 75 HE1 HIS 75 -5.467 18.436 -5.057 556 HE2 HIS 75 HE2 HIS 75 -7.476 19.919 -5.300 557 H HIS 76 H HIS 76 -10.168 15.539 -0.077 558 HA HIS 76 HA HIS 76 -10.240 17.948 1.406 559 HB2 HIS 76 2HB HIS 76 -11.079 15.640 2.076 560 HB3 HIS 76 1HB HIS 76 -9.411 15.241 2.464 561 HD1 HIS 76 HD1 HIS 76 -12.140 17.645 3.510 562 HD2 HIS 76 HD2 HIS 76 -8.625 16.002 4.995 563 HE1 HIS 76 HE1 HIS 76 -12.012 18.383 5.900 564 HE2 HIS 76 HE2 HIS 76 -9.983 17.230 6.822 565 H HIS 77 H HIS 77 -7.678 17.181 -0.338 566 HA HIS 77 HA HIS 77 -5.855 18.650 1.339 567 HB2 HIS 77 2HB HIS 77 -4.052 16.958 1.320 568 HB3 HIS 77 1HB HIS 77 -5.452 16.411 2.232 569 HD1 HIS 77 HD1 HIS 77 -3.935 15.941 -1.241 570 HD2 HIS 77 HD2 HIS 77 -6.328 13.940 1.508 571 HE1 HIS 77 HE1 HIS 77 -4.312 13.665 -2.212 572 HE2 HIS 77 HE2 HIS 77 -5.553 12.406 -0.426 573 H HIS 78 H HIS 78 -3.526 18.539 0.112 574 HA HIS 78 HA HIS 78 -4.078 19.082 -2.729 575 HB2 HIS 78 2HB HIS 78 -1.583 19.689 -1.110 576 HB3 HIS 78 1HB HIS 78 -1.930 20.251 -2.743 577 HD1 HIS 78 HD1 HIS 78 -2.699 20.918 0.837 578 HD2 HIS 78 HD2 HIS 78 -3.815 22.361 -2.898 579 HE1 HIS 78 HE1 HIS 78 -3.925 23.058 1.282 580 HE2 HIS 78 HE2 HIS 78 -4.738 23.816 -0.968 Start of MODEL 10 1 H1 MET 1 1H MET 1 -2.993 -10.051 -3.496 2 H2 MET 1 2H MET 1 -4.234 -10.919 -2.739 3 H3 MET 1 3H MET 1 -2.835 -11.714 -3.252 4 HA MET 1 HA MET 1 -2.880 -11.365 -0.846 5 HB2 MET 1 2HB MET 1 -0.615 -10.310 -0.686 6 HB3 MET 1 1HB MET 1 -0.731 -11.617 -1.850 7 HG2 MET 1 2HG MET 1 -0.922 -8.715 -2.604 8 HG3 MET 1 1HG MET 1 0.588 -9.613 -2.581 9 HE1 MET 1 3HE MET 1 1.298 -9.393 -5.000 10 HE2 MET 1 1HE MET 1 -0.005 -8.231 -5.247 11 HE3 MET 1 2HE MET 1 0.221 -9.556 -6.389 12 H ASN 2 H ASN 2 -2.269 -9.760 0.869 13 HA ASN 2 HA ASN 2 -3.877 -7.325 0.592 14 HB2 ASN 2 2HB ASN 2 -2.601 -8.573 3.044 15 HB3 ASN 2 1HB ASN 2 -3.677 -7.182 3.050 16 HD21 ASN 2 1HD2 ASN 2 -3.445 -10.624 2.684 17 HD22 ASN 2 2HD2 ASN 2 -5.139 -10.938 2.784 18 H LEU 3 H LEU 3 -2.946 -5.398 0.211 19 HA LEU 3 HA LEU 3 -0.176 -4.928 1.132 20 HB2 LEU 3 2HB LEU 3 -1.554 -3.790 -1.312 21 HB3 LEU 3 1HB LEU 3 -0.005 -3.241 -0.710 22 HG LEU 3 HG LEU 3 0.503 -4.651 -2.513 23 HD11 LEU 3 1HD1 LEU 3 1.693 -6.536 -1.534 24 HD12 LEU 3 2HD1 LEU 3 0.784 -6.349 -0.034 25 HD13 LEU 3 3HD1 LEU 3 1.894 -5.083 -0.557 26 HD21 LEU 3 3HD2 LEU 3 -1.404 -6.699 -1.383 27 HD22 LEU 3 1HD2 LEU 3 -0.401 -6.898 -2.820 28 HD23 LEU 3 2HD2 LEU 3 -1.680 -5.686 -2.801 29 H THR 4 H THR 4 0.258 -2.473 1.313 30 HA THR 4 HA THR 4 -2.113 -1.034 2.343 31 HB THR 4 HB THR 4 0.666 -0.907 3.557 32 HG1 THR 4 HG1 THR 4 0.027 -2.650 4.563 33 HG21 THR 4 3HG2 THR 4 -0.459 0.335 5.368 34 HG22 THR 4 1HG2 THR 4 -1.960 0.305 4.441 35 HG23 THR 4 2HG2 THR 4 -0.556 1.181 3.824 36 H VAL 5 H VAL 5 -2.406 0.280 0.582 37 HA VAL 5 HA VAL 5 -0.145 1.658 -0.635 38 HB VAL 5 HB VAL 5 -3.090 1.762 -1.344 39 HG11 VAL 5 1HG1 VAL 5 -0.668 2.728 -2.870 40 HG12 VAL 5 2HG1 VAL 5 -1.932 3.730 -2.157 41 HG13 VAL 5 3HG1 VAL 5 -2.311 2.660 -3.505 42 HG21 VAL 5 3HG2 VAL 5 -2.177 -0.486 -1.595 43 HG22 VAL 5 1HG2 VAL 5 -0.846 0.146 -2.565 44 HG23 VAL 5 2HG2 VAL 5 -2.499 0.232 -3.174 45 H ASN 6 H ASN 6 0.570 3.512 0.218 46 HA ASN 6 HA ASN 6 0.700 5.538 1.239 47 HB2 ASN 6 2HB ASN 6 -2.143 5.888 0.241 48 HB3 ASN 6 1HB ASN 6 -1.091 7.178 0.815 49 HD21 ASN 6 1HD2 ASN 6 -2.003 5.262 -1.834 50 HD22 ASN 6 2HD2 ASN 6 -0.860 5.892 -2.968 51 H GLY 7 H GLY 7 -0.206 3.284 2.863 52 HA2 GLY 7 2HA GLY 7 -0.726 3.126 5.135 53 HA3 GLY 7 1HA GLY 7 -1.327 4.776 5.095 54 H LYS 8 H LYS 8 -2.682 3.032 2.566 55 HA LYS 8 HA LYS 8 -5.089 2.397 4.156 56 HB2 LYS 8 2HB LYS 8 -4.882 3.131 1.224 57 HB3 LYS 8 1HB LYS 8 -6.372 2.710 2.060 58 HG2 LYS 8 2HG LYS 8 -4.622 5.106 2.597 59 HG3 LYS 8 1HG LYS 8 -6.196 5.107 1.799 60 HD2 LYS 8 2HD LYS 8 -5.645 4.355 4.677 61 HD3 LYS 8 1HD LYS 8 -6.410 5.841 4.112 62 HE2 LYS 8 2HE LYS 8 -7.503 3.041 3.771 63 HE3 LYS 8 1HE LYS 8 -8.066 4.237 4.937 64 HZ1 LYS 8 3HZ LYS 8 -8.714 5.662 3.086 65 HZ2 LYS 8 1HZ LYS 8 -9.500 4.166 3.013 66 HZ3 LYS 8 2HZ LYS 8 -8.199 4.494 1.983 67 HA PRO 9 HA PRO 9 -4.075 -1.855 3.104 68 HB2 PRO 9 2HB PRO 9 -6.760 -2.442 4.197 69 HB3 PRO 9 1HB PRO 9 -5.178 -3.014 4.734 70 HG2 PRO 9 2HG PRO 9 -6.574 -1.226 6.164 71 HG3 PRO 9 1HG PRO 9 -4.804 -1.157 6.061 72 HD2 PRO 9 2HD PRO 9 -6.851 0.480 4.594 73 HD3 PRO 9 1HD PRO 9 -5.328 0.998 5.354 74 H SER 10 H SER 10 -4.225 -2.542 1.056 75 HA SER 10 HA SER 10 -6.883 -2.714 -0.217 76 HB2 SER 10 2HB SER 10 -5.857 -2.119 -2.384 77 HB3 SER 10 1HB SER 10 -5.670 -0.823 -1.207 78 HG SER 10 HG SER 10 -3.773 -1.778 -2.590 79 H THR 11 H THR 11 -7.370 -4.685 -0.997 80 HA THR 11 HA THR 11 -5.256 -6.732 -1.008 81 HB THR 11 HB THR 11 -8.264 -7.123 -0.956 82 HG1 THR 11 HG1 THR 11 -7.258 -8.008 1.266 83 HG21 THR 11 3HG2 THR 11 -6.010 -9.101 -0.565 84 HG22 THR 11 1HG2 THR 11 -7.068 -9.008 -1.973 85 HG23 THR 11 2HG2 THR 11 -7.731 -9.452 -0.400 86 H VAL 12 H VAL 12 -4.440 -7.227 -2.949 87 HA VAL 12 HA VAL 12 -6.059 -6.939 -5.366 88 HB VAL 12 HB VAL 12 -3.949 -7.624 -6.557 89 HG11 VAL 12 1HG1 VAL 12 -3.718 -5.294 -4.641 90 HG12 VAL 12 2HG1 VAL 12 -4.481 -5.264 -6.231 91 HG13 VAL 12 3HG1 VAL 12 -2.743 -5.525 -6.093 92 HG21 VAL 12 3HG2 VAL 12 -1.855 -7.643 -5.245 93 HG22 VAL 12 1HG2 VAL 12 -2.937 -8.962 -4.796 94 HG23 VAL 12 2HG2 VAL 12 -2.805 -7.540 -3.760 95 H ASP 13 H ASP 13 -6.904 -8.605 -6.517 96 HA ASP 13 HA ASP 13 -7.211 -11.085 -5.038 97 HB2 ASP 13 2HB ASP 13 -9.124 -9.754 -5.996 98 HB3 ASP 13 1HB ASP 13 -8.571 -10.226 -7.599 99 H GLY 14 H GLY 14 -7.017 -13.187 -5.962 100 HA2 GLY 14 2HA GLY 14 -6.442 -14.752 -7.619 101 HA3 GLY 14 1HA GLY 14 -5.742 -13.461 -8.576 102 H ALA 15 H ALA 15 -3.688 -12.483 -7.579 103 HA ALA 15 HA ALA 15 -1.892 -14.725 -7.046 104 HB1 ALA 15 3HB ALA 15 -1.362 -13.164 -8.864 105 HB2 ALA 15 1HB ALA 15 -0.099 -13.181 -7.631 106 HB3 ALA 15 2HB ALA 15 -1.251 -11.846 -7.698 107 H GLU 16 H GLU 16 -0.031 -14.372 -5.541 108 HA GLU 16 HA GLU 16 -0.745 -12.728 -3.203 109 HB2 GLU 16 2HB GLU 16 0.178 -14.514 -1.734 110 HB3 GLU 16 1HB GLU 16 -1.279 -14.984 -2.599 111 HG2 GLU 16 2HG GLU 16 0.011 -16.281 -4.171 112 HG3 GLU 16 1HG GLU 16 1.520 -15.730 -3.441 113 H SER 17 H SER 17 1.844 -14.094 -5.178 114 HA SER 17 HA SER 17 3.647 -12.044 -4.095 115 HB2 SER 17 2HB SER 17 5.532 -13.660 -4.011 116 HB3 SER 17 1HB SER 17 4.246 -14.074 -2.881 117 HG SER 17 HG SER 17 5.259 -15.530 -4.919 118 H LEU 18 H LEU 18 4.737 -10.958 -5.595 119 HA LEU 18 HA LEU 18 5.816 -12.076 -7.961 120 HB2 LEU 18 2HB LEU 18 4.419 -10.610 -9.556 121 HB3 LEU 18 1HB LEU 18 3.739 -12.122 -8.998 122 HG LEU 18 HG LEU 18 2.410 -10.835 -7.299 123 HD11 LEU 18 1HD1 LEU 18 3.771 -8.826 -7.153 124 HD12 LEU 18 2HD1 LEU 18 2.119 -8.427 -7.624 125 HD13 LEU 18 3HD1 LEU 18 3.403 -8.434 -8.833 126 HD21 LEU 18 3HD2 LEU 18 1.400 -11.571 -9.384 127 HD22 LEU 18 1HD2 LEU 18 1.969 -10.110 -10.196 128 HD23 LEU 18 2HD2 LEU 18 0.765 -9.996 -8.911 129 H ASN 19 H ASN 19 6.825 -10.364 -9.405 130 HA ASN 19 HA ASN 19 8.276 -8.481 -7.889 131 HB2 ASN 19 2HB ASN 19 7.794 -8.376 -10.877 132 HB3 ASN 19 1HB ASN 19 9.128 -7.633 -10.002 133 HD21 ASN 19 1HD2 ASN 19 9.042 -9.603 -12.184 134 HD22 ASN 19 2HD2 ASN 19 9.974 -10.944 -11.621 135 H VAL 20 H VAL 20 8.229 -6.143 -7.936 136 HA VAL 20 HA VAL 20 5.737 -4.890 -7.710 137 HB VAL 20 HB VAL 20 8.328 -3.535 -8.509 138 HG11 VAL 20 1HG1 VAL 20 5.848 -2.445 -7.160 139 HG12 VAL 20 2HG1 VAL 20 6.392 -2.085 -8.800 140 HG13 VAL 20 3HG1 VAL 20 7.345 -1.549 -7.416 141 HG21 VAL 20 3HG2 VAL 20 8.630 -4.896 -6.494 142 HG22 VAL 20 1HG2 VAL 20 7.254 -4.090 -5.741 143 HG23 VAL 20 2HG2 VAL 20 8.711 -3.174 -6.124 144 H THR 21 H THR 21 7.901 -5.191 -10.502 145 HA THR 21 HA THR 21 6.508 -3.613 -12.349 146 HB THR 21 HB THR 21 8.114 -6.132 -12.874 147 HG1 THR 21 HG1 THR 21 9.756 -4.569 -13.386 148 HG21 THR 21 3HG2 THR 21 8.360 -5.284 -15.174 149 HG22 THR 21 1HG2 THR 21 7.256 -3.958 -14.804 150 HG23 THR 21 2HG2 THR 21 6.673 -5.622 -14.790 151 H GLU 22 H GLU 22 6.045 -7.049 -11.506 152 HA GLU 22 HA GLU 22 4.093 -7.599 -13.472 153 HB2 GLU 22 2HB GLU 22 4.103 -8.931 -10.768 154 HB3 GLU 22 1HB GLU 22 3.641 -9.609 -12.321 155 HG2 GLU 22 2HG GLU 22 6.408 -9.029 -11.305 156 HG3 GLU 22 1HG GLU 22 5.702 -10.592 -11.700 157 H LEU 23 H LEU 23 3.735 -6.685 -10.039 158 HA LEU 23 HA LEU 23 0.949 -6.467 -9.940 159 HB2 LEU 23 2HB LEU 23 2.434 -6.371 -7.969 160 HB3 LEU 23 1HB LEU 23 3.001 -4.791 -8.479 161 HG LEU 23 HG LEU 23 0.716 -3.887 -8.167 162 HD11 LEU 23 1HD1 LEU 23 -0.573 -5.916 -8.557 163 HD12 LEU 23 2HD1 LEU 23 -0.968 -5.226 -6.985 164 HD13 LEU 23 3HD1 LEU 23 0.085 -6.637 -7.087 165 HD21 LEU 23 3HD2 LEU 23 1.818 -5.291 -5.731 166 HD22 LEU 23 1HD2 LEU 23 0.733 -3.901 -5.731 167 HD23 LEU 23 2HD2 LEU 23 2.371 -3.740 -6.363 168 H LEU 24 H LEU 24 3.363 -3.993 -10.791 169 HA LEU 24 HA LEU 24 1.624 -1.846 -11.235 170 HB2 LEU 24 2HB LEU 24 4.119 -1.741 -11.075 171 HB3 LEU 24 1HB LEU 24 4.215 -2.433 -12.683 172 HG LEU 24 HG LEU 24 3.005 -0.446 -13.572 173 HD11 LEU 24 1HD1 LEU 24 3.326 0.609 -10.763 174 HD12 LEU 24 2HD1 LEU 24 1.807 0.214 -11.567 175 HD13 LEU 24 3HD1 LEU 24 2.795 1.547 -12.159 176 HD21 LEU 24 3HD2 LEU 24 5.549 0.155 -12.056 177 HD22 LEU 24 1HD2 LEU 24 4.897 1.106 -13.392 178 HD23 LEU 24 2HD2 LEU 24 5.439 -0.548 -13.669 179 H SER 25 H SER 25 2.807 -4.331 -13.494 180 HA SER 25 HA SER 25 1.397 -3.400 -15.775 181 HB2 SER 25 2HB SER 25 2.407 -6.186 -15.128 182 HB3 SER 25 1HB SER 25 1.829 -5.667 -16.711 183 HG SER 25 HG SER 25 4.218 -5.109 -15.416 184 H ALA 26 H ALA 26 0.496 -5.493 -13.106 185 HA ALA 26 HA ALA 26 -1.962 -6.432 -14.189 186 HB1 ALA 26 3HB ALA 26 -1.180 -6.107 -11.288 187 HB2 ALA 26 1HB ALA 26 -0.850 -7.521 -12.290 188 HB3 ALA 26 2HB ALA 26 -2.514 -7.083 -11.907 189 H LEU 27 H LEU 27 -1.060 -3.575 -12.334 190 HA LEU 27 HA LEU 27 -3.727 -2.608 -11.957 191 HB2 LEU 27 2HB LEU 27 -1.074 -1.160 -11.815 192 HB3 LEU 27 1HB LEU 27 -2.610 -0.499 -11.282 193 HG LEU 27 HG LEU 27 -1.242 -2.921 -10.086 194 HD11 LEU 27 1HD1 LEU 27 -1.507 -0.097 -9.049 195 HD12 LEU 27 2HD1 LEU 27 -0.024 -0.887 -9.581 196 HD13 LEU 27 3HD1 LEU 27 -0.859 -1.466 -8.141 197 HD21 LEU 27 3HD2 LEU 27 -3.676 -3.056 -9.921 198 HD22 LEU 27 1HD2 LEU 27 -3.730 -1.440 -9.215 199 HD23 LEU 27 2HD2 LEU 27 -2.953 -2.762 -8.340 200 H LYS 28 H LYS 28 -1.289 -2.187 -14.448 201 HA LYS 28 HA LYS 28 -1.308 -1.220 -16.505 202 HB2 LYS 28 2HB LYS 28 -3.481 -2.444 -16.706 203 HB3 LYS 28 1HB LYS 28 -4.309 -1.001 -16.140 204 HG2 LYS 28 2HG LYS 28 -3.369 0.218 -18.115 205 HG3 LYS 28 1HG LYS 28 -2.745 -1.324 -18.700 206 HD2 LYS 28 2HD LYS 28 -5.649 -0.627 -18.215 207 HD3 LYS 28 1HD LYS 28 -4.862 -0.790 -19.786 208 HE2 LYS 28 2HE LYS 28 -5.193 -3.004 -17.751 209 HE3 LYS 28 1HE LYS 28 -6.198 -2.772 -19.181 210 HZ1 LYS 28 3HZ LYS 28 -4.218 -3.081 -20.553 211 HZ2 LYS 28 1HZ LYS 28 -4.520 -4.435 -19.584 212 HZ3 LYS 28 2HZ LYS 28 -3.286 -3.357 -19.168 213 H VAL 29 H VAL 29 -0.153 0.599 -15.796 214 HA VAL 29 HA VAL 29 -1.705 2.956 -14.938 215 HB VAL 29 HB VAL 29 0.040 2.175 -13.377 216 HG11 VAL 29 1HG1 VAL 29 1.979 2.835 -15.598 217 HG12 VAL 29 2HG1 VAL 29 1.609 1.225 -14.979 218 HG13 VAL 29 3HG1 VAL 29 2.415 2.404 -13.944 219 HG21 VAL 29 3HG2 VAL 29 -0.539 4.548 -13.382 220 HG22 VAL 29 1HG2 VAL 29 0.670 4.856 -14.628 221 HG23 VAL 29 2HG2 VAL 29 1.173 4.330 -13.022 222 H ALA 30 H ALA 30 -1.353 5.009 -15.860 223 HA ALA 30 HA ALA 30 -0.613 5.073 -18.626 224 HB1 ALA 30 3HB ALA 30 -1.183 7.350 -16.722 225 HB2 ALA 30 1HB ALA 30 -2.368 6.524 -17.733 226 HB3 ALA 30 2HB ALA 30 -1.083 7.472 -18.479 227 H GLN 31 H GLN 31 1.382 5.303 -19.449 228 HA GLN 31 HA GLN 31 3.610 5.674 -19.666 229 HB2 GLN 31 2HB GLN 31 3.115 7.833 -17.600 230 HB3 GLN 31 1HB GLN 31 4.581 7.669 -18.557 231 HG2 GLN 31 2HG GLN 31 3.368 8.101 -20.592 232 HG3 GLN 31 1HG GLN 31 1.836 8.106 -19.725 233 HE21 GLN 31 1HE2 GLN 31 2.905 9.619 -17.463 234 HE22 GLN 31 2HE2 GLN 31 3.079 11.242 -18.027 235 H ALA 32 H ALA 32 4.069 3.603 -18.831 236 HA ALA 32 HA ALA 32 4.008 2.820 -16.171 237 HB1 ALA 32 3HB ALA 32 5.761 1.666 -18.336 238 HB2 ALA 32 1HB ALA 32 4.057 1.284 -18.084 239 HB3 ALA 32 2HB ALA 32 5.247 0.858 -16.854 240 H GLU 33 H GLU 33 6.699 4.291 -17.923 241 HA GLU 33 HA GLU 33 8.624 3.708 -15.859 242 HB2 GLU 33 2HB GLU 33 8.872 5.648 -18.167 243 HB3 GLU 33 1HB GLU 33 10.187 4.992 -17.199 244 HG2 GLU 33 2HG GLU 33 9.565 2.723 -18.039 245 HG3 GLU 33 1HG GLU 33 8.418 3.499 -19.129 246 H TYR 34 H TYR 34 6.338 6.227 -16.384 247 HA TYR 34 HA TYR 34 7.925 8.270 -15.051 248 HB2 TYR 34 2HB TYR 34 5.162 8.363 -16.276 249 HB3 TYR 34 1HB TYR 34 5.976 9.751 -15.558 250 HD1 TYR 34 HD2 TYR 34 6.615 7.085 -18.113 251 HD2 TYR 34 HD1 TYR 34 7.163 11.158 -16.980 252 HE1 TYR 34 HE2 TYR 34 7.739 7.518 -20.252 253 HE2 TYR 34 HE1 TYR 34 8.290 11.601 -19.120 254 HH TYR 34 HH TYR 34 8.208 9.426 -21.728 255 H VAL 35 H VAL 35 5.716 5.895 -14.076 256 HA VAL 35 HA VAL 35 4.634 7.342 -11.824 257 HB VAL 35 HB VAL 35 3.318 5.539 -12.815 258 HG11 VAL 35 1HG1 VAL 35 5.505 3.683 -11.864 259 HG12 VAL 35 2HG1 VAL 35 5.102 4.053 -13.542 260 HG13 VAL 35 3HG1 VAL 35 3.951 3.181 -12.530 261 HG21 VAL 35 3HG2 VAL 35 2.678 4.373 -10.762 262 HG22 VAL 35 1HG2 VAL 35 2.966 6.084 -10.457 263 HG23 VAL 35 2HG2 VAL 35 4.176 4.890 -9.990 264 H THR 36 H THR 36 5.435 7.489 -9.803 265 HA THR 36 HA THR 36 7.869 5.936 -9.147 266 HB THR 36 HB THR 36 7.100 8.724 -8.234 267 HG1 THR 36 HG1 THR 36 9.564 8.399 -9.352 268 HG21 THR 36 3HG2 THR 36 8.169 7.520 -6.389 269 HG22 THR 36 1HG2 THR 36 9.253 8.750 -7.039 270 HG23 THR 36 2HG2 THR 36 9.500 7.052 -7.448 271 H VAL 37 H VAL 37 7.768 4.610 -7.447 272 HA VAL 37 HA VAL 37 5.894 5.190 -5.255 273 HB VAL 37 HB VAL 37 5.270 2.810 -5.065 274 HG11 VAL 37 1HG1 VAL 37 3.786 4.325 -6.283 275 HG12 VAL 37 2HG1 VAL 37 3.732 2.701 -6.966 276 HG13 VAL 37 3HG1 VAL 37 4.642 3.972 -7.785 277 HG21 VAL 37 3HG2 VAL 37 5.745 1.230 -6.874 278 HG22 VAL 37 1HG2 VAL 37 7.238 1.817 -6.141 279 HG23 VAL 37 2HG2 VAL 37 6.713 2.452 -7.700 280 H GLU 38 H GLU 38 6.662 4.727 -3.230 281 HA GLU 38 HA GLU 38 9.282 3.383 -3.067 282 HB2 GLU 38 2HB GLU 38 9.473 4.521 -0.794 283 HB3 GLU 38 1HB GLU 38 9.623 5.552 -2.206 284 HG2 GLU 38 2HG GLU 38 7.021 5.250 -0.736 285 HG3 GLU 38 1HG GLU 38 8.250 6.409 -0.238 286 H LEU 39 H LEU 39 9.200 1.382 -2.345 287 HA LEU 39 HA LEU 39 6.720 0.321 -1.376 288 HB2 LEU 39 2HB LEU 39 8.182 -0.900 -2.946 289 HB3 LEU 39 1HB LEU 39 9.395 -1.043 -1.685 290 HG LEU 39 HG LEU 39 7.797 -2.373 -0.328 291 HD11 LEU 39 1HD1 LEU 39 6.037 -2.252 -2.775 292 HD12 LEU 39 2HD1 LEU 39 5.739 -1.407 -1.256 293 HD13 LEU 39 3HD1 LEU 39 5.731 -3.170 -1.298 294 HD21 LEU 39 3HD2 LEU 39 8.230 -3.470 -3.110 295 HD22 LEU 39 1HD2 LEU 39 7.917 -4.409 -1.650 296 HD23 LEU 39 2HD2 LEU 39 9.415 -3.492 -1.802 297 H ASN 40 H ASN 40 6.199 0.884 0.658 298 HA ASN 40 HA ASN 40 6.077 0.652 2.915 299 HB2 ASN 40 2HB ASN 40 6.476 -1.732 2.171 300 HB3 ASN 40 1HB ASN 40 8.173 -1.502 2.567 301 HD21 ASN 40 1HD2 ASN 40 7.948 -3.234 4.015 302 HD22 ASN 40 2HD2 ASN 40 7.231 -3.006 5.568 303 H GLY 41 H GLY 41 8.083 2.497 1.760 304 HA2 GLY 41 2HA GLY 41 9.126 4.107 3.293 305 HA3 GLY 41 1HA GLY 41 9.823 2.742 4.147 306 H GLU 42 H GLU 42 10.354 1.542 1.333 307 HA GLU 42 HA GLU 42 12.909 2.972 0.959 308 HB2 GLU 42 2HB GLU 42 13.071 0.582 1.576 309 HB3 GLU 42 1HB GLU 42 12.150 0.151 0.140 310 HG2 GLU 42 2HG GLU 42 14.552 -0.208 -0.169 311 HG3 GLU 42 1HG GLU 42 13.920 0.998 -1.289 312 H VAL 43 H VAL 43 13.490 3.813 -1.012 313 HA VAL 43 HA VAL 43 11.331 4.104 -2.953 314 HB VAL 43 HB VAL 43 12.499 6.124 -2.231 315 HG11 VAL 43 1HG1 VAL 43 14.832 6.550 -2.827 316 HG12 VAL 43 2HG1 VAL 43 14.973 4.918 -3.482 317 HG13 VAL 43 3HG1 VAL 43 14.696 5.155 -1.756 318 HG21 VAL 43 3HG2 VAL 43 11.535 6.054 -4.486 319 HG22 VAL 43 1HG2 VAL 43 13.071 5.472 -5.129 320 HG23 VAL 43 2HG2 VAL 43 12.963 7.087 -4.427 321 H LEU 44 H LEU 44 11.300 3.260 -4.986 322 HA LEU 44 HA LEU 44 13.598 1.593 -5.797 323 HB2 LEU 44 2HB LEU 44 10.653 1.315 -6.394 324 HB3 LEU 44 1HB LEU 44 11.878 0.446 -7.296 325 HG LEU 44 HG LEU 44 12.622 -0.597 -5.122 326 HD11 LEU 44 1HD1 LEU 44 11.061 -0.586 -3.245 327 HD12 LEU 44 2HD1 LEU 44 10.062 0.604 -4.079 328 HD13 LEU 44 3HD1 LEU 44 11.696 1.026 -3.570 329 HD21 LEU 44 3HD2 LEU 44 9.787 -1.113 -6.022 330 HD22 LEU 44 1HD2 LEU 44 10.773 -2.211 -5.056 331 HD23 LEU 44 2HD2 LEU 44 11.251 -1.820 -6.707 332 H GLU 45 H GLU 45 14.498 1.800 -7.781 333 HA GLU 45 HA GLU 45 13.915 4.131 -9.374 334 HB2 GLU 45 2HB GLU 45 15.894 1.863 -9.666 335 HB3 GLU 45 1HB GLU 45 15.744 3.140 -10.862 336 HG2 GLU 45 2HG GLU 45 17.601 3.494 -9.282 337 HG3 GLU 45 1HG GLU 45 16.423 4.803 -9.275 338 H ARG 46 H ARG 46 13.771 3.852 -11.840 339 HA ARG 46 HA ARG 46 11.293 2.709 -12.423 340 HB2 ARG 46 2HB ARG 46 13.505 3.584 -14.289 341 HB3 ARG 46 1HB ARG 46 11.896 3.124 -14.832 342 HG2 ARG 46 2HG ARG 46 10.922 4.936 -13.494 343 HG3 ARG 46 1HG ARG 46 12.536 5.400 -12.954 344 HD2 ARG 46 2HD ARG 46 13.175 5.963 -15.224 345 HD3 ARG 46 1HD ARG 46 11.628 5.377 -15.838 346 HE ARG 46 HE ARG 46 11.264 7.411 -13.887 347 HH11 ARG 46 1HH1 ARG 46 12.146 6.943 -17.177 348 HH12 ARG 46 2HH1 ARG 46 11.549 8.481 -17.677 349 HH21 ARG 46 1HH2 ARG 46 10.501 9.384 -14.515 350 HH22 ARG 46 2HH2 ARG 46 10.639 9.876 -16.167 351 H GLU 47 H GLU 47 14.520 1.341 -12.886 352 HA GLU 47 HA GLU 47 13.362 -1.070 -14.093 353 HB2 GLU 47 2HB GLU 47 16.240 -0.236 -13.669 354 HB3 GLU 47 1HB GLU 47 15.747 -1.752 -14.417 355 HG2 GLU 47 2HG GLU 47 14.612 -0.479 -16.198 356 HG3 GLU 47 1HG GLU 47 15.173 1.022 -15.462 357 H ALA 48 H ALA 48 13.939 0.005 -11.002 358 HA ALA 48 HA ALA 48 15.055 -2.416 -9.881 359 HB1 ALA 48 3HB ALA 48 14.813 -1.319 -7.731 360 HB2 ALA 48 1HB ALA 48 13.837 -0.046 -8.467 361 HB3 ALA 48 2HB ALA 48 15.539 -0.217 -8.903 362 H PHE 49 H PHE 49 11.912 -1.385 -10.718 363 HA PHE 49 HA PHE 49 10.317 -2.609 -8.773 364 HB2 PHE 49 2HB PHE 49 9.719 -2.276 -11.724 365 HB3 PHE 49 1HB PHE 49 8.529 -2.597 -10.467 366 HD1 PHE 49 HD2 PHE 49 9.299 -0.779 -8.329 367 HD2 PHE 49 HD1 PHE 49 9.272 -0.154 -12.544 368 HE1 PHE 49 HE2 PHE 49 9.028 1.638 -7.967 369 HE2 PHE 49 HE1 PHE 49 9.001 2.265 -12.185 370 HZ PHE 49 HZ PHE 49 8.880 3.163 -9.894 371 H ASP 50 H ASP 50 12.106 -4.012 -11.403 372 HA ASP 50 HA ASP 50 10.801 -6.575 -11.335 373 HB2 ASP 50 2HB ASP 50 13.453 -5.713 -12.520 374 HB3 ASP 50 1HB ASP 50 12.701 -7.288 -12.773 375 H ALA 51 H ALA 51 13.429 -5.090 -9.598 376 HA ALA 51 HA ALA 51 14.690 -7.595 -8.851 377 HB1 ALA 51 3HB ALA 51 16.032 -5.605 -9.367 378 HB2 ALA 51 1HB ALA 51 16.343 -6.208 -7.739 379 HB3 ALA 51 2HB ALA 51 15.334 -4.779 -7.973 380 H THR 52 H THR 52 11.901 -6.509 -7.760 381 HA THR 52 HA THR 52 12.416 -7.509 -5.047 382 HB THR 52 HB THR 52 10.887 -4.941 -5.573 383 HG1 THR 52 HG1 THR 52 13.500 -5.448 -5.013 384 HG21 THR 52 3HG2 THR 52 9.868 -6.253 -3.761 385 HG22 THR 52 1HG2 THR 52 10.663 -4.812 -3.127 386 HG23 THR 52 2HG2 THR 52 11.439 -6.388 -2.968 387 H THR 53 H THR 53 11.084 -9.131 -4.648 388 HA THR 53 HA THR 53 8.578 -9.405 -6.129 389 HB THR 53 HB THR 53 9.853 -11.361 -4.194 390 HG1 THR 53 HG1 THR 53 9.940 -12.053 -6.831 391 HG21 THR 53 3HG2 THR 53 8.414 -13.023 -5.308 392 HG22 THR 53 1HG2 THR 53 7.683 -11.737 -6.270 393 HG23 THR 53 2HG2 THR 53 7.465 -11.764 -4.521 394 H VAL 54 H VAL 54 6.914 -8.312 -5.244 395 HA VAL 54 HA VAL 54 6.624 -7.888 -2.404 396 HB VAL 54 HB VAL 54 4.640 -7.338 -4.631 397 HG11 VAL 54 1HG1 VAL 54 3.647 -5.727 -3.058 398 HG12 VAL 54 2HG1 VAL 54 4.779 -6.251 -1.812 399 HG13 VAL 54 3HG1 VAL 54 3.577 -7.378 -2.438 400 HG21 VAL 54 3HG2 VAL 54 6.729 -6.162 -5.045 401 HG22 VAL 54 1HG2 VAL 54 6.713 -5.513 -3.404 402 HG23 VAL 54 2HG2 VAL 54 5.474 -5.023 -4.559 403 H LYS 55 H LYS 55 4.967 -8.732 -1.065 404 HA LYS 55 HA LYS 55 3.366 -10.949 -2.100 405 HB2 LYS 55 2HB LYS 55 4.113 -12.420 -0.219 406 HB3 LYS 55 1HB LYS 55 5.354 -12.088 -1.418 407 HG2 LYS 55 2HG LYS 55 6.303 -10.363 0.086 408 HG3 LYS 55 1HG LYS 55 5.104 -10.809 1.303 409 HD2 LYS 55 2HD LYS 55 7.241 -11.908 1.749 410 HD3 LYS 55 1HD LYS 55 5.999 -13.096 1.347 411 HE2 LYS 55 2HE LYS 55 6.857 -13.214 -0.948 412 HE3 LYS 55 1HE LYS 55 8.095 -12.023 -0.549 413 HZ1 LYS 55 3HZ LYS 55 8.991 -13.577 1.076 414 HZ2 LYS 55 1HZ LYS 55 8.985 -14.251 -0.473 415 HZ3 LYS 55 2HZ LYS 55 7.821 -14.723 0.656 416 H ASP 56 H ASP 56 2.281 -11.958 0.170 417 HA ASP 56 HA ASP 56 0.357 -9.970 0.802 418 HB2 ASP 56 2HB ASP 56 0.031 -12.500 0.698 419 HB3 ASP 56 1HB ASP 56 0.754 -12.562 2.303 420 H GLY 57 H GLY 57 0.698 -8.301 2.111 421 HA2 GLY 57 2HA GLY 57 0.849 -7.499 4.371 422 HA3 GLY 57 1HA GLY 57 2.000 -8.778 4.716 423 H ASP 58 H ASP 58 1.689 -6.028 2.456 424 HA ASP 58 HA ASP 58 4.140 -4.865 3.467 425 HB2 ASP 58 2HB ASP 58 4.635 -6.609 1.542 426 HB3 ASP 58 1HB ASP 58 4.075 -5.313 0.491 427 H ALA 59 H ALA 59 4.588 -2.738 2.044 428 HA ALA 59 HA ALA 59 1.942 -1.471 1.648 429 HB1 ALA 59 3HB ALA 59 4.330 -0.233 3.016 430 HB2 ALA 59 1HB ALA 59 2.896 -0.869 3.821 431 HB3 ALA 59 2HB ALA 59 2.761 0.531 2.757 432 H VAL 60 H VAL 60 2.020 -1.482 -0.616 433 HA VAL 60 HA VAL 60 4.203 -0.096 -1.955 434 HB VAL 60 HB VAL 60 3.367 -2.043 -3.101 435 HG11 VAL 60 1HG1 VAL 60 0.650 -0.720 -3.132 436 HG12 VAL 60 2HG1 VAL 60 1.110 -2.126 -2.172 437 HG13 VAL 60 3HG1 VAL 60 1.071 -2.235 -3.932 438 HG21 VAL 60 3HG2 VAL 60 2.813 -1.094 -5.294 439 HG22 VAL 60 1HG2 VAL 60 4.115 -0.200 -4.510 440 HG23 VAL 60 2HG2 VAL 60 2.482 0.463 -4.538 441 H GLU 61 H GLU 61 4.115 2.047 -1.438 442 HA GLU 61 HA GLU 61 1.610 3.473 -1.313 443 HB2 GLU 61 2HB GLU 61 4.416 4.598 -1.148 444 HB3 GLU 61 1HB GLU 61 2.930 5.385 -0.624 445 HG2 GLU 61 2HG GLU 61 2.632 3.502 1.023 446 HG3 GLU 61 1HG GLU 61 4.251 2.964 0.589 447 H PHE 62 H PHE 62 0.621 3.825 -3.194 448 HA PHE 62 HA PHE 62 2.123 4.539 -5.594 449 HB2 PHE 62 2HB PHE 62 0.279 2.819 -5.594 450 HB3 PHE 62 1HB PHE 62 -0.862 4.117 -5.267 451 HD1 PHE 62 HD1 PHE 62 1.322 2.576 -7.761 452 HD2 PHE 62 HD2 PHE 62 -1.435 5.733 -6.999 453 HE1 PHE 62 HE1 PHE 62 1.107 2.972 -10.179 454 HE2 PHE 62 HE2 PHE 62 -1.651 6.132 -9.416 455 HZ PHE 62 HZ PHE 62 -0.381 4.751 -11.010 456 H LEU 63 H LEU 63 2.621 6.653 -5.818 457 HA LEU 63 HA LEU 63 1.209 8.732 -4.462 458 HB2 LEU 63 2HB LEU 63 3.289 8.963 -6.641 459 HB3 LEU 63 1HB LEU 63 2.787 10.242 -5.550 460 HG LEU 63 HG LEU 63 4.250 7.712 -4.776 461 HD11 LEU 63 1HD1 LEU 63 5.156 10.590 -4.809 462 HD12 LEU 63 2HD1 LEU 63 5.671 9.320 -5.922 463 HD13 LEU 63 3HD1 LEU 63 6.090 9.217 -4.211 464 HD21 LEU 63 3HD2 LEU 63 4.385 8.716 -2.529 465 HD22 LEU 63 1HD2 LEU 63 2.726 8.348 -3.001 466 HD23 LEU 63 2HD2 LEU 63 3.311 10.012 -3.057 467 H TYR 64 H TYR 64 0.059 10.512 -5.356 468 HA TYR 64 HA TYR 64 -1.408 9.811 -7.821 469 HB2 TYR 64 2HB TYR 64 -3.221 11.245 -6.959 470 HB3 TYR 64 1HB TYR 64 -2.798 9.979 -5.816 471 HD1 TYR 64 HD1 TYR 64 -2.624 13.606 -6.485 472 HD2 TYR 64 HD2 TYR 64 -1.868 10.516 -3.654 473 HE1 TYR 64 HE1 TYR 64 -2.317 15.298 -4.729 474 HE2 TYR 64 HE2 TYR 64 -1.558 12.202 -1.892 475 HH TYR 64 HH TYR 64 -2.474 15.420 -2.229 476 H PHE 65 H PHE 65 1.206 11.331 -7.640 477 HA PHE 65 HA PHE 65 0.826 14.073 -8.065 478 HB2 PHE 65 2HB PHE 65 3.098 14.092 -8.989 479 HB3 PHE 65 1HB PHE 65 3.013 13.110 -7.533 480 HD1 PHE 65 HD2 PHE 65 3.061 10.629 -7.716 481 HD2 PHE 65 HD1 PHE 65 3.739 13.147 -11.086 482 HE1 PHE 65 HE2 PHE 65 4.072 8.739 -8.925 483 HE2 PHE 65 HE1 PHE 65 4.751 11.260 -12.294 484 HZ PHE 65 HZ PHE 65 4.920 9.056 -11.218 485 H MET 66 H MET 66 0.788 15.367 -9.919 486 HA MET 66 HA MET 66 -0.679 14.305 -12.138 487 HB2 MET 66 2HB MET 66 0.580 17.040 -11.787 488 HB3 MET 66 1HB MET 66 -0.602 16.601 -13.016 489 HG2 MET 66 2HG MET 66 -2.246 16.151 -11.249 490 HG3 MET 66 1HG MET 66 -1.059 16.636 -10.037 491 HE1 MET 66 3HE MET 66 -3.593 19.631 -9.988 492 HE2 MET 66 1HE MET 66 -2.792 18.382 -9.034 493 HE3 MET 66 2HE MET 66 -3.994 17.933 -10.248 494 H GLY 67 H GLY 67 0.244 13.173 -13.738 495 HA2 GLY 67 2HA GLY 67 2.843 14.109 -14.813 496 HA3 GLY 67 1HA GLY 67 2.497 12.401 -14.598 497 H GLY 68 H GLY 68 -0.010 14.565 -15.687 498 HA2 GLY 68 2HA GLY 68 -0.184 13.044 -18.182 499 HA3 GLY 68 1HA GLY 68 -1.399 14.136 -17.540 500 H GLY 69 H GLY 69 0.358 16.388 -17.154 501 HA2 GLY 69 2HA GLY 69 1.522 18.038 -18.329 502 HA3 GLY 69 1HA GLY 69 1.531 17.003 -19.745 503 H LYS 70 H LYS 70 -0.883 16.617 -20.562 504 HA LYS 70 HA LYS 70 -1.811 19.160 -21.453 505 HB2 LYS 70 2HB LYS 70 -1.954 17.113 -22.837 506 HB3 LYS 70 1HB LYS 70 -3.136 16.446 -21.719 507 HG2 LYS 70 2HG LYS 70 -4.657 18.326 -22.259 508 HG3 LYS 70 1HG LYS 70 -3.479 18.905 -23.437 509 HD2 LYS 70 2HD LYS 70 -5.203 17.637 -24.572 510 HD3 LYS 70 1HD LYS 70 -3.677 16.754 -24.649 511 HE2 LYS 70 2HE LYS 70 -4.407 15.314 -22.810 512 HE3 LYS 70 1HE LYS 70 -5.919 16.217 -22.692 513 HZ1 LYS 70 3HZ LYS 70 -6.444 15.519 -24.961 514 HZ2 LYS 70 1HZ LYS 70 -6.240 14.192 -23.929 515 HZ3 LYS 70 2HZ LYS 70 -5.017 14.610 -25.019 516 H LEU 71 H LEU 71 -3.071 20.523 -20.358 517 HA LEU 71 HA LEU 71 -4.987 19.462 -18.373 518 HB2 LEU 71 2HB LEU 71 -3.179 20.996 -17.560 519 HB3 LEU 71 1HB LEU 71 -3.857 22.262 -18.567 520 HG LEU 71 HG LEU 71 -5.955 22.162 -17.262 521 HD11 LEU 71 1HD1 LEU 71 -4.470 20.185 -15.529 522 HD12 LEU 71 2HD1 LEU 71 -5.859 19.831 -16.558 523 HD13 LEU 71 3HD1 LEU 71 -6.043 20.902 -15.169 524 HD21 LEU 71 3HD2 LEU 71 -3.484 22.567 -15.570 525 HD22 LEU 71 1HD2 LEU 71 -5.093 23.208 -15.233 526 HD23 LEU 71 2HD2 LEU 71 -4.205 23.760 -16.652 527 H GLU 72 H GLU 72 -7.027 19.403 -19.095 528 HA GLU 72 HA GLU 72 -7.914 21.386 -21.112 529 HB2 GLU 72 2HB GLU 72 -9.325 19.562 -22.060 530 HB3 GLU 72 1HB GLU 72 -7.599 19.222 -22.159 531 HG2 GLU 72 2HG GLU 72 -7.708 17.685 -20.346 532 HG3 GLU 72 1HG GLU 72 -9.350 18.177 -19.942 533 H HIS 73 H HIS 73 -8.325 21.247 -18.072 534 HA HIS 73 HA HIS 73 -9.943 21.400 -16.479 535 HB2 HIS 73 2HB HIS 73 -11.751 22.002 -18.837 536 HB3 HIS 73 1HB HIS 73 -12.186 22.237 -17.148 537 HD1 HIS 73 HD1 HIS 73 -11.043 24.216 -15.899 538 HD2 HIS 73 HD2 HIS 73 -10.145 23.987 -19.947 539 HE1 HIS 73 HE1 HIS 73 -10.007 26.424 -16.480 540 HE2 HIS 73 HE2 HIS 73 -9.622 26.321 -18.963 541 H HIS 74 H HIS 74 -11.946 20.337 -15.597 542 HA HIS 74 HA HIS 74 -12.592 17.817 -16.979 543 HB2 HIS 74 2HB HIS 74 -11.886 18.061 -14.047 544 HB3 HIS 74 1HB HIS 74 -12.521 16.609 -14.811 545 HD1 HIS 74 HD1 HIS 74 -10.667 16.845 -17.405 546 HD2 HIS 74 HD2 HIS 74 -9.406 16.998 -13.447 547 HE1 HIS 74 HE1 HIS 74 -8.264 16.132 -17.435 548 HE2 HIS 74 HE2 HIS 74 -7.614 15.993 -15.013 549 H HIS 75 H HIS 75 -13.566 19.773 -14.104 550 HA HIS 75 HA HIS 75 -16.341 19.638 -14.883 551 HB2 HIS 75 2HB HIS 75 -16.042 17.377 -13.999 552 HB3 HIS 75 1HB HIS 75 -15.405 18.025 -12.494 553 HD1 HIS 75 HD1 HIS 75 -18.623 17.963 -14.492 554 HD2 HIS 75 HD2 HIS 75 -17.307 18.510 -10.587 555 HE1 HIS 75 HE1 HIS 75 -20.702 18.100 -13.095 556 HE2 HIS 75 HE2 HIS 75 -19.884 18.605 -10.772 557 H HIS 76 H HIS 76 -17.723 20.969 -13.676 558 HA HIS 76 HA HIS 76 -16.404 22.814 -11.787 559 HB2 HIS 76 2HB HIS 76 -18.661 23.146 -13.732 560 HB3 HIS 76 1HB HIS 76 -18.613 24.170 -12.303 561 HD1 HIS 76 HD1 HIS 76 -17.918 24.588 -15.608 562 HD2 HIS 76 HD2 HIS 76 -15.566 25.106 -12.221 563 HE1 HIS 76 HE1 HIS 76 -16.154 26.249 -16.259 564 HE2 HIS 76 HE2 HIS 76 -14.885 26.695 -14.140 565 H HIS 77 H HIS 77 -17.377 23.392 -9.856 566 HA HIS 77 HA HIS 77 -19.670 21.752 -8.962 567 HB2 HIS 77 2HB HIS 77 -18.879 22.240 -6.643 568 HB3 HIS 77 1HB HIS 77 -17.725 21.316 -7.597 569 HD1 HIS 77 HD1 HIS 77 -18.224 24.704 -6.054 570 HD2 HIS 77 HD2 HIS 77 -15.286 22.574 -8.073 571 HE1 HIS 77 HE1 HIS 77 -16.136 26.071 -5.838 572 HE2 HIS 77 HE2 HIS 77 -14.437 24.870 -7.245 573 H HIS 78 H HIS 78 -20.852 23.031 -7.036 574 HA HIS 78 HA HIS 78 -21.179 25.849 -7.787 575 HB2 HIS 78 2HB HIS 78 -23.651 25.613 -7.865 576 HB3 HIS 78 1HB HIS 78 -22.833 24.730 -9.145 577 HD1 HIS 78 HD1 HIS 78 -25.423 24.343 -6.715 578 HD2 HIS 78 HD2 HIS 78 -22.578 21.827 -8.387 579 HE1 HIS 78 HE1 HIS 78 -26.242 22.021 -6.266 580 HE2 HIS 78 HE2 HIS 78 -24.391 20.526 -7.082 Start of MODEL 11 1 H1 MET 1 1H MET 1 -3.247 -10.238 -3.497 2 H2 MET 1 2H MET 1 -4.219 -11.280 -2.591 3 H3 MET 1 3H MET 1 -2.797 -11.855 -3.302 4 HA MET 1 HA MET 1 -2.566 -11.494 -0.899 5 HB2 MET 1 2HB MET 1 -0.441 -10.324 -0.998 6 HB3 MET 1 1HB MET 1 -0.604 -11.322 -2.435 7 HG2 MET 1 2HG MET 1 -1.192 -9.390 -3.762 8 HG3 MET 1 1HG MET 1 -1.161 -8.365 -2.330 9 HE1 MET 1 3HE MET 1 0.938 -10.319 -4.983 10 HE2 MET 1 1HE MET 1 1.307 -11.233 -3.520 11 HE3 MET 1 2HE MET 1 2.560 -10.262 -4.291 12 H ASN 2 H ASN 2 -2.228 -9.898 0.810 13 HA ASN 2 HA ASN 2 -4.004 -7.573 0.534 14 HB2 ASN 2 2HB ASN 2 -2.740 -8.759 3.025 15 HB3 ASN 2 1HB ASN 2 -3.974 -7.501 2.981 16 HD21 ASN 2 1HD2 ASN 2 -4.066 -10.114 4.241 17 HD22 ASN 2 2HD2 ASN 2 -5.423 -10.929 3.551 18 H LEU 3 H LEU 3 -3.070 -5.676 -0.007 19 HA LEU 3 HA LEU 3 -0.345 -5.099 0.992 20 HB2 LEU 3 2HB LEU 3 -1.579 -4.283 -1.644 21 HB3 LEU 3 1HB LEU 3 -0.018 -3.734 -1.064 22 HG LEU 3 HG LEU 3 -0.756 -6.582 -1.765 23 HD11 LEU 3 1HD1 LEU 3 0.830 -6.298 -3.603 24 HD12 LEU 3 2HD1 LEU 3 1.078 -4.615 -3.139 25 HD13 LEU 3 3HD1 LEU 3 -0.501 -5.145 -3.718 26 HD21 LEU 3 3HD2 LEU 3 0.825 -6.540 0.087 27 HD22 LEU 3 1HD2 LEU 3 1.873 -5.439 -0.809 28 HD23 LEU 3 2HD2 LEU 3 1.618 -7.085 -1.390 29 H THR 4 H THR 4 -0.093 -3.263 2.136 30 HA THR 4 HA THR 4 -2.372 -1.497 2.520 31 HB THR 4 HB THR 4 0.385 -1.338 3.772 32 HG1 THR 4 HG1 THR 4 -0.697 -2.342 5.570 33 HG21 THR 4 3HG2 THR 4 -0.761 0.010 5.503 34 HG22 THR 4 1HG2 THR 4 -2.238 -0.037 4.538 35 HG23 THR 4 2HG2 THR 4 -0.803 0.781 3.918 36 H VAL 5 H VAL 5 -2.522 -0.463 0.477 37 HA VAL 5 HA VAL 5 -0.216 0.914 -0.613 38 HB VAL 5 HB VAL 5 -1.734 -0.160 -2.172 39 HG11 VAL 5 1HG1 VAL 5 -3.818 0.018 -0.911 40 HG12 VAL 5 2HG1 VAL 5 -4.017 0.642 -2.549 41 HG13 VAL 5 3HG1 VAL 5 -3.851 1.759 -1.194 42 HG21 VAL 5 3HG2 VAL 5 -0.525 1.808 -2.955 43 HG22 VAL 5 1HG2 VAL 5 -1.844 2.850 -2.416 44 HG23 VAL 5 2HG2 VAL 5 -2.104 1.703 -3.731 45 H ASN 6 H ASN 6 0.402 2.862 0.018 46 HA ASN 6 HA ASN 6 0.429 4.985 0.825 47 HB2 ASN 6 2HB ASN 6 -2.353 5.009 -0.365 48 HB3 ASN 6 1HB ASN 6 -1.518 6.448 0.215 49 HD21 ASN 6 1HD2 ASN 6 -2.444 5.688 -2.478 50 HD22 ASN 6 2HD2 ASN 6 -1.047 5.827 -3.484 51 H GLY 7 H GLY 7 -0.887 2.716 2.481 52 HA2 GLY 7 2HA GLY 7 -1.202 2.956 4.868 53 HA3 GLY 7 1HA GLY 7 -2.009 4.487 4.571 54 H LYS 8 H LYS 8 -3.188 2.570 2.234 55 HA LYS 8 HA LYS 8 -5.506 1.756 3.865 56 HB2 LYS 8 2HB LYS 8 -5.349 2.276 0.885 57 HB3 LYS 8 1HB LYS 8 -6.804 1.863 1.784 58 HG2 LYS 8 2HG LYS 8 -6.637 3.939 3.047 59 HG3 LYS 8 1HG LYS 8 -5.148 4.347 2.199 60 HD2 LYS 8 2HD LYS 8 -6.401 4.384 0.065 61 HD3 LYS 8 1HD LYS 8 -7.885 4.020 0.948 62 HE2 LYS 8 2HE LYS 8 -6.167 6.482 1.315 63 HE3 LYS 8 1HE LYS 8 -7.695 6.411 0.437 64 HZ1 LYS 8 3HZ LYS 8 -7.946 7.268 2.702 65 HZ2 LYS 8 1HZ LYS 8 -7.366 5.808 3.329 66 HZ3 LYS 8 2HZ LYS 8 -8.826 5.843 2.473 67 HA PRO 9 HA PRO 9 -3.942 -2.432 2.959 68 HB2 PRO 9 2HB PRO 9 -6.120 -3.195 4.808 69 HB3 PRO 9 1HB PRO 9 -4.392 -3.542 4.904 70 HG2 PRO 9 2HG PRO 9 -5.567 -1.777 6.557 71 HG3 PRO 9 1HG PRO 9 -3.914 -1.538 5.961 72 HD2 PRO 9 2HD PRO 9 -6.465 -0.253 5.029 73 HD3 PRO 9 1HD PRO 9 -4.864 0.473 5.287 74 H SER 10 H SER 10 -4.660 -2.690 0.845 75 HA SER 10 HA SER 10 -7.488 -3.479 0.485 76 HB2 SER 10 2HB SER 10 -6.872 -1.507 -0.834 77 HB3 SER 10 1HB SER 10 -5.532 -2.393 -1.562 78 HG SER 10 HG SER 10 -8.267 -2.546 -2.063 79 H THR 11 H THR 11 -7.988 -5.419 -0.427 80 HA THR 11 HA THR 11 -5.827 -7.361 -0.696 81 HB THR 11 HB THR 11 -8.835 -7.752 -0.805 82 HG1 THR 11 HG1 THR 11 -6.931 -8.404 1.232 83 HG21 THR 11 3HG2 THR 11 -8.335 -10.156 -0.599 84 HG22 THR 11 1HG2 THR 11 -6.611 -9.805 -0.739 85 HG23 THR 11 2HG2 THR 11 -7.690 -9.487 -2.098 86 H VAL 12 H VAL 12 -4.809 -7.036 -2.647 87 HA VAL 12 HA VAL 12 -6.358 -6.939 -5.108 88 HB VAL 12 HB VAL 12 -4.117 -6.946 -6.245 89 HG11 VAL 12 1HG1 VAL 12 -4.555 -4.833 -4.127 90 HG12 VAL 12 2HG1 VAL 12 -5.248 -4.849 -5.750 91 HG13 VAL 12 3HG1 VAL 12 -3.507 -4.664 -5.536 92 HG21 VAL 12 3HG2 VAL 12 -2.111 -6.566 -4.871 93 HG22 VAL 12 1HG2 VAL 12 -2.824 -8.146 -4.552 94 HG23 VAL 12 2HG2 VAL 12 -3.065 -6.824 -3.411 95 H ASP 13 H ASP 13 -7.182 -8.741 -5.936 96 HA ASP 13 HA ASP 13 -6.245 -11.313 -4.970 97 HB2 ASP 13 2HB ASP 13 -8.670 -10.675 -5.018 98 HB3 ASP 13 1HB ASP 13 -8.598 -10.728 -6.777 99 H GLY 14 H GLY 14 -6.078 -13.182 -6.461 100 HA2 GLY 14 2HA GLY 14 -5.211 -14.244 -8.322 101 HA3 GLY 14 1HA GLY 14 -5.415 -12.753 -9.228 102 H ALA 15 H ALA 15 -3.668 -12.353 -6.345 103 HA ALA 15 HA ALA 15 -1.066 -12.652 -7.676 104 HB1 ALA 15 3HB ALA 15 -0.378 -10.407 -7.021 105 HB2 ALA 15 1HB ALA 15 -1.980 -10.098 -6.348 106 HB3 ALA 15 2HB ALA 15 -1.784 -10.346 -8.084 107 H GLU 16 H GLU 16 -0.241 -14.187 -6.315 108 HA GLU 16 HA GLU 16 -0.395 -13.754 -3.413 109 HB2 GLU 16 2HB GLU 16 0.452 -16.040 -3.204 110 HB3 GLU 16 1HB GLU 16 -0.978 -15.979 -4.224 111 HG2 GLU 16 2HG GLU 16 0.479 -16.070 -6.220 112 HG3 GLU 16 1HG GLU 16 1.880 -16.236 -5.159 113 H SER 17 H SER 17 1.919 -13.764 -6.039 114 HA SER 17 HA SER 17 3.877 -12.416 -4.410 115 HB2 SER 17 2HB SER 17 5.696 -14.066 -4.779 116 HB3 SER 17 1HB SER 17 4.395 -14.734 -3.795 117 HG SER 17 HG SER 17 4.749 -15.148 -6.590 118 H LEU 18 H LEU 18 4.215 -10.756 -5.801 119 HA LEU 18 HA LEU 18 5.367 -11.401 -8.406 120 HB2 LEU 18 2HB LEU 18 3.971 -9.578 -9.484 121 HB3 LEU 18 1HB LEU 18 3.174 -11.094 -9.147 122 HG LEU 18 HG LEU 18 2.149 -10.033 -7.108 123 HD11 LEU 18 1HD1 LEU 18 3.709 -8.216 -6.729 124 HD12 LEU 18 2HD1 LEU 18 2.088 -7.577 -6.991 125 HD13 LEU 18 3HD1 LEU 18 3.287 -7.493 -8.283 126 HD21 LEU 18 3HD2 LEU 18 0.460 -8.795 -8.364 127 HD22 LEU 18 1HD2 LEU 18 0.917 -10.276 -9.204 128 HD23 LEU 18 2HD2 LEU 18 1.536 -8.720 -9.760 129 H ASN 19 H ASN 19 6.560 -9.666 -9.378 130 HA ASN 19 HA ASN 19 7.797 -7.940 -7.405 131 HB2 ASN 19 2HB ASN 19 9.281 -7.309 -9.342 132 HB3 ASN 19 1HB ASN 19 9.273 -9.024 -8.943 133 HD21 ASN 19 1HD2 ASN 19 8.576 -6.666 -11.316 134 HD22 ASN 19 2HD2 ASN 19 8.021 -7.752 -12.543 135 H VAL 20 H VAL 20 8.241 -5.601 -8.028 136 HA VAL 20 HA VAL 20 5.833 -4.237 -7.847 137 HB VAL 20 HB VAL 20 8.465 -3.064 -8.768 138 HG11 VAL 20 1HG1 VAL 20 6.064 -1.755 -7.472 139 HG12 VAL 20 2HG1 VAL 20 6.611 -1.525 -9.133 140 HG13 VAL 20 3HG1 VAL 20 7.609 -0.965 -7.791 141 HG21 VAL 20 3HG2 VAL 20 8.736 -4.303 -6.689 142 HG22 VAL 20 1HG2 VAL 20 7.368 -3.447 -5.977 143 HG23 VAL 20 2HG2 VAL 20 8.840 -2.569 -6.387 144 H THR 21 H THR 21 7.724 -4.913 -10.761 145 HA THR 21 HA THR 21 6.544 -3.229 -12.611 146 HB THR 21 HB THR 21 7.169 -6.137 -13.190 147 HG1 THR 21 HG1 THR 21 9.301 -5.182 -13.743 148 HG21 THR 21 3HG2 THR 21 6.072 -4.950 -15.023 149 HG22 THR 21 1HG2 THR 21 7.761 -5.273 -15.423 150 HG23 THR 21 2HG2 THR 21 7.266 -3.657 -14.921 151 H GLU 22 H GLU 22 5.452 -6.537 -11.813 152 HA GLU 22 HA GLU 22 3.044 -6.390 -13.304 153 HB2 GLU 22 2HB GLU 22 4.091 -8.250 -11.185 154 HB3 GLU 22 1HB GLU 22 2.438 -8.408 -11.762 155 HG2 GLU 22 2HG GLU 22 4.129 -9.903 -12.866 156 HG3 GLU 22 1HG GLU 22 3.141 -8.934 -13.955 157 H LEU 23 H LEU 23 3.810 -5.649 -9.937 158 HA LEU 23 HA LEU 23 1.242 -5.242 -8.929 159 HB2 LEU 23 2HB LEU 23 3.390 -5.149 -7.645 160 HB3 LEU 23 1HB LEU 23 3.700 -3.572 -8.338 161 HG LEU 23 HG LEU 23 1.234 -4.095 -6.668 162 HD11 LEU 23 1HD1 LEU 23 3.161 -4.737 -5.317 163 HD12 LEU 23 2HD1 LEU 23 2.457 -3.229 -4.734 164 HD13 LEU 23 3HD1 LEU 23 3.946 -3.200 -5.682 165 HD21 LEU 23 3HD2 LEU 23 2.783 -1.585 -7.346 166 HD22 LEU 23 1HD2 LEU 23 1.410 -1.661 -6.239 167 HD23 LEU 23 2HD2 LEU 23 1.186 -2.033 -7.946 168 H LEU 24 H LEU 24 3.313 -2.984 -10.756 169 HA LEU 24 HA LEU 24 1.554 -0.790 -10.793 170 HB2 LEU 24 2HB LEU 24 3.584 -1.625 -12.874 171 HB3 LEU 24 1HB LEU 24 2.825 -0.046 -12.783 172 HG LEU 24 HG LEU 24 4.646 -1.228 -10.674 173 HD11 LEU 24 1HD1 LEU 24 5.850 -0.664 -12.729 174 HD12 LEU 24 2HD1 LEU 24 6.275 0.424 -11.410 175 HD13 LEU 24 3HD1 LEU 24 5.177 0.965 -12.681 176 HD21 LEU 24 3HD2 LEU 24 3.006 0.267 -9.695 177 HD22 LEU 24 1HD2 LEU 24 3.390 1.510 -10.890 178 HD23 LEU 24 2HD2 LEU 24 4.597 1.026 -9.696 179 H SER 25 H SER 25 1.706 -3.675 -12.803 180 HA SER 25 HA SER 25 -0.169 -2.881 -14.777 181 HB2 SER 25 2HB SER 25 1.285 -4.812 -15.148 182 HB3 SER 25 1HB SER 25 0.540 -5.665 -13.796 183 HG SER 25 HG SER 25 -0.243 -5.591 -16.349 184 H ALA 26 H ALA 26 -0.546 -4.355 -11.590 185 HA ALA 26 HA ALA 26 -3.253 -5.078 -11.735 186 HB1 ALA 26 3HB ALA 26 -3.228 -5.040 -9.299 187 HB2 ALA 26 1HB ALA 26 -1.728 -4.114 -9.312 188 HB3 ALA 26 2HB ALA 26 -1.748 -5.768 -9.922 189 H LEU 27 H LEU 27 -1.779 -1.990 -10.745 190 HA LEU 27 HA LEU 27 -4.357 -0.682 -10.479 191 HB2 LEU 27 2HB LEU 27 -1.527 0.388 -10.410 192 HB3 LEU 27 1HB LEU 27 -2.946 1.401 -10.227 193 HG LEU 27 HG LEU 27 -3.562 0.063 -8.191 194 HD11 LEU 27 1HD1 LEU 27 -2.340 -1.982 -8.673 195 HD12 LEU 27 2HD1 LEU 27 -1.832 -1.304 -7.128 196 HD13 LEU 27 3HD1 LEU 27 -0.807 -1.117 -8.552 197 HD21 LEU 27 3HD2 LEU 27 -2.432 2.229 -8.017 198 HD22 LEU 27 1HD2 LEU 27 -0.864 1.424 -8.109 199 HD23 LEU 27 2HD2 LEU 27 -1.927 1.136 -6.731 200 H LYS 28 H LYS 28 -2.014 -1.210 -12.927 201 HA LYS 28 HA LYS 28 -1.832 -0.709 -15.108 202 HB2 LYS 28 2HB LYS 28 -4.216 -1.483 -15.115 203 HB3 LYS 28 1HB LYS 28 -4.714 0.200 -14.980 204 HG2 LYS 28 2HG LYS 28 -3.689 0.716 -17.116 205 HG3 LYS 28 1HG LYS 28 -3.064 -0.930 -17.242 206 HD2 LYS 28 2HD LYS 28 -5.412 -1.765 -17.232 207 HD3 LYS 28 1HD LYS 28 -5.969 -0.090 -17.242 208 HE2 LYS 28 2HE LYS 28 -4.256 -1.385 -19.366 209 HE3 LYS 28 1HE LYS 28 -5.987 -1.082 -19.492 210 HZ1 LYS 28 3HZ LYS 28 -5.570 1.277 -19.354 211 HZ2 LYS 28 1HZ LYS 28 -4.659 0.614 -20.617 212 HZ3 LYS 28 2HZ LYS 28 -3.911 1.018 -19.154 213 H VAL 29 H VAL 29 -0.322 0.921 -14.661 214 HA VAL 29 HA VAL 29 -1.273 3.697 -14.807 215 HB VAL 29 HB VAL 29 0.349 3.209 -13.039 216 HG11 VAL 29 1HG1 VAL 29 2.257 2.438 -15.246 217 HG12 VAL 29 2HG1 VAL 29 1.504 1.328 -14.103 218 HG13 VAL 29 3HG1 VAL 29 2.640 2.547 -13.528 219 HG21 VAL 29 3HG2 VAL 29 1.574 4.896 -15.225 220 HG22 VAL 29 1HG2 VAL 29 1.982 4.964 -13.511 221 HG23 VAL 29 2HG2 VAL 29 0.375 5.442 -14.053 222 H ALA 30 H ALA 30 -0.616 5.113 -16.471 223 HA ALA 30 HA ALA 30 -0.195 3.914 -19.025 224 HB1 ALA 30 3HB ALA 30 -1.519 5.967 -18.714 225 HB2 ALA 30 1HB ALA 30 -0.232 6.176 -19.903 226 HB3 ALA 30 2HB ALA 30 -0.048 6.836 -18.277 227 H GLN 31 H GLN 31 1.839 6.178 -17.139 228 HA GLN 31 HA GLN 31 4.178 5.412 -18.713 229 HB2 GLN 31 2HB GLN 31 3.932 7.446 -16.475 230 HB3 GLN 31 1HB GLN 31 5.360 7.179 -17.460 231 HG2 GLN 31 2HG GLN 31 4.493 9.002 -18.512 232 HG3 GLN 31 1HG GLN 31 3.711 7.725 -19.439 233 HE21 GLN 31 1HE2 GLN 31 2.884 10.477 -19.031 234 HE22 GLN 31 2HE2 GLN 31 1.307 10.413 -18.331 235 H ALA 32 H ALA 32 4.204 3.191 -17.913 236 HA ALA 32 HA ALA 32 4.488 2.525 -15.175 237 HB1 ALA 32 3HB ALA 32 5.172 0.317 -15.963 238 HB2 ALA 32 1HB ALA 32 5.383 0.952 -17.595 239 HB3 ALA 32 2HB ALA 32 3.777 0.900 -16.871 240 H GLU 33 H GLU 33 6.890 2.982 -17.747 241 HA GLU 33 HA GLU 33 9.202 2.457 -16.227 242 HB2 GLU 33 2HB GLU 33 8.803 4.248 -18.637 243 HB3 GLU 33 1HB GLU 33 10.372 3.773 -18.005 244 HG2 GLU 33 2HG GLU 33 8.305 1.821 -18.996 245 HG3 GLU 33 1HG GLU 33 9.594 2.486 -19.997 246 H TYR 34 H TYR 34 7.186 5.313 -16.438 247 HA TYR 34 HA TYR 34 9.324 6.973 -15.260 248 HB2 TYR 34 2HB TYR 34 6.916 7.965 -16.796 249 HB3 TYR 34 1HB TYR 34 8.380 8.858 -16.389 250 HD1 TYR 34 HD2 TYR 34 10.611 7.922 -17.377 251 HD2 TYR 34 HD1 TYR 34 6.755 6.918 -18.882 252 HE1 TYR 34 HE2 TYR 34 11.629 7.195 -19.491 253 HE2 TYR 34 HE1 TYR 34 7.770 6.176 -20.994 254 HH TYR 34 HH TYR 34 11.047 5.591 -21.345 255 H VAL 35 H VAL 35 6.786 5.338 -14.119 256 HA VAL 35 HA VAL 35 5.634 7.443 -12.475 257 HB VAL 35 HB VAL 35 4.167 5.636 -13.231 258 HG11 VAL 35 1HG1 VAL 35 5.806 3.814 -13.291 259 HG12 VAL 35 2HG1 VAL 35 4.363 3.361 -12.385 260 HG13 VAL 35 3HG1 VAL 35 5.846 3.790 -11.527 261 HG21 VAL 35 3HG2 VAL 35 3.118 5.086 -11.077 262 HG22 VAL 35 1HG2 VAL 35 3.610 6.778 -11.149 263 HG23 VAL 35 2HG2 VAL 35 4.574 5.617 -10.235 264 H THR 36 H THR 36 6.437 8.081 -10.575 265 HA THR 36 HA THR 36 8.627 6.627 -9.344 266 HB THR 36 HB THR 36 7.323 9.262 -8.619 267 HG1 THR 36 HG1 THR 36 9.066 10.143 -9.611 268 HG21 THR 36 3HG2 THR 36 8.150 8.215 -6.565 269 HG22 THR 36 1HG2 THR 36 9.181 9.573 -7.019 270 HG23 THR 36 2HG2 THR 36 9.713 7.919 -7.325 271 H VAL 37 H VAL 37 8.146 4.932 -8.139 272 HA VAL 37 HA VAL 37 6.041 5.215 -6.081 273 HB VAL 37 HB VAL 37 5.608 2.800 -6.209 274 HG11 VAL 37 1HG1 VAL 37 4.434 2.763 -8.367 275 HG12 VAL 37 2HG1 VAL 37 5.343 4.185 -8.884 276 HG13 VAL 37 3HG1 VAL 37 4.214 4.302 -7.533 277 HG21 VAL 37 3HG2 VAL 37 6.517 1.464 -8.081 278 HG22 VAL 37 1HG2 VAL 37 7.781 2.024 -6.987 279 HG23 VAL 37 2HG2 VAL 37 7.541 2.826 -8.539 280 H GLU 38 H GLU 38 6.489 4.410 -4.034 281 HA GLU 38 HA GLU 38 9.145 3.233 -3.582 282 HB2 GLU 38 2HB GLU 38 9.533 4.710 -1.651 283 HB3 GLU 38 1HB GLU 38 9.402 5.616 -3.151 284 HG2 GLU 38 2HG GLU 38 7.092 6.208 -2.581 285 HG3 GLU 38 1HG GLU 38 7.246 5.334 -1.060 286 H LEU 39 H LEU 39 9.314 1.898 -1.741 287 HA LEU 39 HA LEU 39 6.704 1.081 -0.617 288 HB2 LEU 39 2HB LEU 39 9.129 -0.486 -1.402 289 HB3 LEU 39 1HB LEU 39 8.106 -1.091 -0.113 290 HG LEU 39 HG LEU 39 6.168 -1.000 -1.720 291 HD11 LEU 39 1HD1 LEU 39 7.105 0.594 -3.320 292 HD12 LEU 39 2HD1 LEU 39 6.641 -0.915 -4.104 293 HD13 LEU 39 3HD1 LEU 39 8.341 -0.581 -3.771 294 HD21 LEU 39 3HD2 LEU 39 7.410 -3.050 -1.134 295 HD22 LEU 39 1HD2 LEU 39 8.468 -2.780 -2.520 296 HD23 LEU 39 2HD2 LEU 39 6.748 -3.092 -2.772 297 H ASN 40 H ASN 40 6.397 1.236 1.492 298 HA ASN 40 HA ASN 40 6.745 1.405 3.730 299 HB2 ASN 40 2HB ASN 40 9.236 -0.172 3.032 300 HB3 ASN 40 1HB ASN 40 8.554 -0.018 4.639 301 HD21 ASN 40 1HD2 ASN 40 8.172 -1.437 1.508 302 HD22 ASN 40 2HD2 ASN 40 6.922 -2.549 1.934 303 H GLY 41 H GLY 41 7.851 3.572 2.032 304 HA2 GLY 41 2HA GLY 41 8.819 5.612 2.627 305 HA3 GLY 41 1HA GLY 41 9.501 4.857 4.057 306 H GLU 42 H GLU 42 10.065 3.250 1.046 307 HA GLU 42 HA GLU 42 12.760 4.439 0.839 308 HB2 GLU 42 2HB GLU 42 12.555 2.128 2.070 309 HB3 GLU 42 1HB GLU 42 12.333 1.479 0.454 310 HG2 GLU 42 2HG GLU 42 14.719 3.109 1.312 311 HG3 GLU 42 1HG GLU 42 14.661 1.349 1.335 312 H VAL 43 H VAL 43 13.432 4.831 -1.245 313 HA VAL 43 HA VAL 43 11.360 4.600 -3.277 314 HB VAL 43 HB VAL 43 12.408 6.773 -2.992 315 HG11 VAL 43 1HG1 VAL 43 14.601 6.070 -2.195 316 HG12 VAL 43 2HG1 VAL 43 14.755 7.172 -3.564 317 HG13 VAL 43 3HG1 VAL 43 14.998 5.439 -3.794 318 HG21 VAL 43 3HG2 VAL 43 11.593 6.174 -5.218 319 HG22 VAL 43 1HG2 VAL 43 13.175 5.516 -5.633 320 HG23 VAL 43 2HG2 VAL 43 12.991 7.243 -5.321 321 H LEU 44 H LEU 44 11.354 3.210 -4.934 322 HA LEU 44 HA LEU 44 13.612 1.363 -5.185 323 HB2 LEU 44 2HB LEU 44 10.732 1.242 -6.029 324 HB3 LEU 44 1HB LEU 44 11.910 0.159 -6.746 325 HG LEU 44 HG LEU 44 12.448 -0.718 -4.487 326 HD11 LEU 44 1HD1 LEU 44 10.963 -0.221 -2.605 327 HD12 LEU 44 2HD1 LEU 44 10.131 0.992 -3.576 328 HD13 LEU 44 3HD1 LEU 44 11.824 1.223 -3.141 329 HD21 LEU 44 3HD2 LEU 44 9.527 -0.879 -5.229 330 HD22 LEU 44 1HD2 LEU 44 10.412 -2.028 -4.226 331 HD23 LEU 44 2HD2 LEU 44 10.825 -1.845 -5.932 332 H GLU 45 H GLU 45 14.892 1.200 -6.900 333 HA GLU 45 HA GLU 45 14.926 3.071 -9.018 334 HB2 GLU 45 2HB GLU 45 16.966 1.987 -8.349 335 HB3 GLU 45 1HB GLU 45 16.280 0.394 -8.618 336 HG2 GLU 45 2HG GLU 45 17.847 0.919 -10.364 337 HG3 GLU 45 1HG GLU 45 16.220 0.837 -11.031 338 H ARG 46 H ARG 46 14.182 2.942 -11.127 339 HA ARG 46 HA ARG 46 11.926 1.496 -11.828 340 HB2 ARG 46 2HB ARG 46 12.663 3.449 -13.074 341 HB3 ARG 46 1HB ARG 46 14.107 2.604 -13.611 342 HG2 ARG 46 2HG ARG 46 12.618 0.993 -14.827 343 HG3 ARG 46 1HG ARG 46 11.255 2.038 -14.413 344 HD2 ARG 46 2HD ARG 46 12.169 2.451 -16.691 345 HD3 ARG 46 1HD ARG 46 12.218 3.872 -15.649 346 HE ARG 46 HE ARG 46 14.583 3.545 -15.399 347 HH11 ARG 46 1HH1 ARG 46 13.097 1.611 -17.849 348 HH12 ARG 46 2HH1 ARG 46 14.603 1.286 -18.640 349 HH21 ARG 46 1HH2 ARG 46 16.484 3.127 -16.429 350 HH22 ARG 46 2HH2 ARG 46 16.494 2.154 -17.862 351 H GLU 47 H GLU 47 15.314 0.706 -12.552 352 HA GLU 47 HA GLU 47 14.691 -1.809 -13.803 353 HB2 GLU 47 2HB GLU 47 17.338 -0.731 -12.813 354 HB3 GLU 47 1HB GLU 47 17.126 -2.117 -13.875 355 HG2 GLU 47 2HG GLU 47 16.208 -0.692 -15.610 356 HG3 GLU 47 1HG GLU 47 16.306 0.711 -14.545 357 H ALA 48 H ALA 48 14.274 -1.057 -10.713 358 HA ALA 48 HA ALA 48 15.265 -3.628 -9.657 359 HB1 ALA 48 3HB ALA 48 14.920 -2.674 -7.429 360 HB2 ALA 48 1HB ALA 48 14.299 -1.191 -8.154 361 HB3 ALA 48 2HB ALA 48 15.982 -1.654 -8.402 362 H PHE 49 H PHE 49 12.472 -2.165 -10.846 363 HA PHE 49 HA PHE 49 10.468 -3.075 -9.103 364 HB2 PHE 49 2HB PHE 49 10.355 -2.543 -12.081 365 HB3 PHE 49 1HB PHE 49 8.939 -2.826 -11.075 366 HD1 PHE 49 HD1 PHE 49 10.454 -1.184 -8.715 367 HD2 PHE 49 HD2 PHE 49 9.290 -0.402 -12.744 368 HE1 PHE 49 HE1 PHE 49 10.312 1.217 -8.209 369 HE2 PHE 49 HE2 PHE 49 9.152 2.001 -12.235 370 HZ PHE 49 HZ PHE 49 9.663 2.813 -9.969 371 H ASP 50 H ASP 50 12.302 -4.797 -11.517 372 HA ASP 50 HA ASP 50 10.493 -7.064 -11.565 373 HB2 ASP 50 2HB ASP 50 12.223 -8.113 -12.997 374 HB3 ASP 50 1HB ASP 50 11.726 -6.527 -13.585 375 H ALA 51 H ALA 51 13.369 -6.110 -9.841 376 HA ALA 51 HA ALA 51 14.016 -8.753 -8.881 377 HB1 ALA 51 3HB ALA 51 15.767 -7.642 -7.607 378 HB2 ALA 51 1HB ALA 51 15.072 -6.065 -7.990 379 HB3 ALA 51 2HB ALA 51 15.756 -7.063 -9.274 380 H THR 52 H THR 52 12.817 -5.764 -7.316 381 HA THR 52 HA THR 52 12.423 -6.906 -4.764 382 HB THR 52 HB THR 52 10.975 -4.525 -5.965 383 HG1 THR 52 HG1 THR 52 12.788 -3.672 -4.315 384 HG21 THR 52 3HG2 THR 52 11.404 -5.307 -3.069 385 HG22 THR 52 1HG2 THR 52 9.871 -5.388 -3.941 386 HG23 THR 52 2HG2 THR 52 10.632 -3.826 -3.635 387 H THR 53 H THR 53 11.249 -8.770 -4.685 388 HA THR 53 HA THR 53 8.747 -9.050 -6.136 389 HB THR 53 HB THR 53 10.066 -10.974 -4.200 390 HG1 THR 53 HG1 THR 53 11.416 -10.824 -5.943 391 HG21 THR 53 3HG2 THR 53 7.850 -11.401 -6.216 392 HG22 THR 53 1HG2 THR 53 7.682 -11.437 -4.458 393 HG23 THR 53 2HG2 THR 53 8.636 -12.672 -5.280 394 H VAL 54 H VAL 54 7.007 -8.062 -5.322 395 HA VAL 54 HA VAL 54 6.671 -7.533 -2.511 396 HB VAL 54 HB VAL 54 4.687 -7.138 -4.770 397 HG11 VAL 54 1HG1 VAL 54 3.614 -5.533 -3.273 398 HG12 VAL 54 2HG1 VAL 54 4.788 -5.904 -2.012 399 HG13 VAL 54 3HG1 VAL 54 3.649 -7.139 -2.547 400 HG21 VAL 54 3HG2 VAL 54 6.764 -5.919 -5.192 401 HG22 VAL 54 1HG2 VAL 54 6.677 -5.194 -3.586 402 HG23 VAL 54 2HG2 VAL 54 5.454 -4.807 -4.796 403 H LYS 55 H LYS 55 5.466 -8.628 -1.049 404 HA LYS 55 HA LYS 55 3.761 -10.843 -2.000 405 HB2 LYS 55 2HB LYS 55 5.645 -10.937 0.368 406 HB3 LYS 55 1HB LYS 55 4.508 -12.201 -0.077 407 HG2 LYS 55 2HG LYS 55 5.748 -12.316 -2.303 408 HG3 LYS 55 1HG LYS 55 6.987 -11.322 -1.535 409 HD2 LYS 55 2HD LYS 55 6.021 -14.018 -0.558 410 HD3 LYS 55 1HD LYS 55 7.535 -13.713 -1.409 411 HE2 LYS 55 2HE LYS 55 6.841 -12.387 1.212 412 HE3 LYS 55 1HE LYS 55 7.681 -13.933 1.119 413 HZ1 LYS 55 3HZ LYS 55 9.433 -12.851 -0.162 414 HZ2 LYS 55 1HZ LYS 55 9.242 -12.127 1.353 415 HZ3 LYS 55 2HZ LYS 55 8.638 -11.364 -0.028 416 H ASP 56 H ASP 56 2.621 -11.766 0.160 417 HA ASP 56 HA ASP 56 0.615 -9.898 0.753 418 HB2 ASP 56 2HB ASP 56 0.312 -12.354 0.748 419 HB3 ASP 56 1HB ASP 56 1.306 -12.469 2.198 420 H GLY 57 H GLY 57 0.589 -8.262 2.165 421 HA2 GLY 57 2HA GLY 57 0.695 -7.363 4.349 422 HA3 GLY 57 1HA GLY 57 1.934 -8.537 4.759 423 H ASP 58 H ASP 58 2.062 -6.535 1.861 424 HA ASP 58 HA ASP 58 4.370 -5.114 3.029 425 HB2 ASP 58 2HB ASP 58 4.530 -6.607 0.871 426 HB3 ASP 58 1HB ASP 58 3.808 -5.213 0.074 427 H ALA 59 H ALA 59 4.665 -2.827 2.276 428 HA ALA 59 HA ALA 59 2.057 -1.472 1.957 429 HB1 ALA 59 3HB ALA 59 4.404 -0.515 3.595 430 HB2 ALA 59 1HB ALA 59 2.920 -1.220 4.235 431 HB3 ALA 59 2HB ALA 59 2.868 0.326 3.385 432 H VAL 60 H VAL 60 2.113 -0.971 -0.189 433 HA VAL 60 HA VAL 60 4.492 0.307 -1.320 434 HB VAL 60 HB VAL 60 3.544 -1.479 -2.652 435 HG11 VAL 60 1HG1 VAL 60 0.991 0.138 -2.755 436 HG12 VAL 60 2HG1 VAL 60 1.227 -1.363 -1.860 437 HG13 VAL 60 3HG1 VAL 60 1.307 -1.367 -3.621 438 HG21 VAL 60 3HG2 VAL 60 3.256 -0.316 -4.791 439 HG22 VAL 60 1HG2 VAL 60 4.575 0.386 -3.854 440 HG23 VAL 60 2HG2 VAL 60 3.017 1.209 -3.937 441 H GLU 61 H GLU 61 4.635 2.423 -1.730 442 HA GLU 61 HA GLU 61 2.264 4.116 -1.351 443 HB2 GLU 61 2HB GLU 61 5.216 4.785 -1.286 444 HB3 GLU 61 1HB GLU 61 3.930 5.973 -1.117 445 HG2 GLU 61 2HG GLU 61 3.187 4.990 0.926 446 HG3 GLU 61 1HG GLU 61 4.255 3.607 0.717 447 H PHE 62 H PHE 62 1.235 4.573 -3.156 448 HA PHE 62 HA PHE 62 2.748 5.001 -5.662 449 HB2 PHE 62 2HB PHE 62 1.205 3.035 -5.640 450 HB3 PHE 62 1HB PHE 62 -0.141 4.124 -5.339 451 HD1 PHE 62 HD1 PHE 62 -0.923 5.661 -7.119 452 HD2 PHE 62 HD2 PHE 62 2.188 2.829 -7.818 453 HE1 PHE 62 HE1 PHE 62 -1.212 5.942 -9.546 454 HE2 PHE 62 HE2 PHE 62 1.900 3.112 -10.242 455 HZ PHE 62 HZ PHE 62 0.202 4.668 -11.112 456 H LEU 63 H LEU 63 2.943 7.142 -6.030 457 HA LEU 63 HA LEU 63 0.976 9.010 -4.973 458 HB2 LEU 63 2HB LEU 63 3.493 9.605 -6.536 459 HB3 LEU 63 1HB LEU 63 2.545 10.742 -5.596 460 HG LEU 63 HG LEU 63 4.156 8.432 -4.499 461 HD11 LEU 63 1HD1 LEU 63 4.582 11.413 -4.314 462 HD12 LEU 63 2HD1 LEU 63 5.536 10.277 -5.266 463 HD13 LEU 63 3HD1 LEU 63 5.550 10.179 -3.505 464 HD21 LEU 63 3HD2 LEU 63 3.577 9.296 -2.285 465 HD22 LEU 63 1HD2 LEU 63 2.137 8.793 -3.169 466 HD23 LEU 63 2HD2 LEU 63 2.527 10.508 -3.022 467 H TYR 64 H TYR 64 -0.594 9.976 -6.116 468 HA TYR 64 HA TYR 64 -0.989 9.294 -8.897 469 HB2 TYR 64 2HB TYR 64 -3.144 10.504 -8.622 470 HB3 TYR 64 1HB TYR 64 -2.899 9.255 -7.409 471 HD1 TYR 64 HD2 TYR 64 -2.250 9.927 -5.064 472 HD2 TYR 64 HD1 TYR 64 -3.444 12.794 -7.987 473 HE1 TYR 64 HE2 TYR 64 -2.671 11.567 -3.284 474 HE2 TYR 64 HE1 TYR 64 -3.868 14.434 -6.205 475 HH TYR 64 HH TYR 64 -4.417 14.368 -3.733 476 H PHE 65 H PHE 65 1.304 10.994 -8.457 477 HA PHE 65 HA PHE 65 0.595 13.712 -9.091 478 HB2 PHE 65 2HB PHE 65 2.940 14.189 -9.045 479 HB3 PHE 65 1HB PHE 65 2.612 13.066 -7.732 480 HD1 PHE 65 HD1 PHE 65 3.100 10.575 -8.164 481 HD2 PHE 65 HD2 PHE 65 4.606 13.723 -10.606 482 HE1 PHE 65 HE1 PHE 65 4.856 9.077 -9.005 483 HE2 PHE 65 HE2 PHE 65 6.365 12.224 -11.453 484 HZ PHE 65 HZ PHE 65 6.492 9.900 -10.653 485 H MET 66 H MET 66 0.473 14.681 -11.034 486 HA MET 66 HA MET 66 1.581 13.297 -13.401 487 HB2 MET 66 2HB MET 66 -1.011 14.856 -13.251 488 HB3 MET 66 1HB MET 66 -0.293 14.252 -14.735 489 HG2 MET 66 2HG MET 66 -0.497 11.947 -13.826 490 HG3 MET 66 1HG MET 66 -1.357 12.619 -12.441 491 HE1 MET 66 3HE MET 66 -1.567 13.759 -16.229 492 HE2 MET 66 1HE MET 66 -2.916 12.769 -16.788 493 HE3 MET 66 2HE MET 66 -1.403 12.004 -16.309 494 H GLY 67 H GLY 67 2.898 14.507 -14.666 495 HA2 GLY 67 2HA GLY 67 2.765 17.446 -14.490 496 HA3 GLY 67 1HA GLY 67 4.291 16.649 -14.142 497 H GLY 68 H GLY 68 1.927 15.757 -16.623 498 HA2 GLY 68 2HA GLY 68 4.009 16.232 -18.678 499 HA3 GLY 68 1HA GLY 68 2.727 15.040 -18.799 500 H GLY 69 H GLY 69 1.929 18.200 -17.616 501 HA2 GLY 69 2HA GLY 69 0.775 19.972 -18.542 502 HA3 GLY 69 1HA GLY 69 1.301 19.418 -20.122 503 H LYS 70 H LYS 70 -0.102 18.346 -21.407 504 HA LYS 70 HA LYS 70 -2.008 17.476 -22.243 505 HB2 LYS 70 2HB LYS 70 -1.717 15.797 -20.438 506 HB3 LYS 70 1HB LYS 70 -2.724 16.786 -19.387 507 HG2 LYS 70 2HG LYS 70 -4.628 16.477 -20.850 508 HG3 LYS 70 1HG LYS 70 -3.631 15.591 -22.006 509 HD2 LYS 70 2HD LYS 70 -3.226 13.858 -20.291 510 HD3 LYS 70 1HD LYS 70 -4.270 14.739 -19.176 511 HE2 LYS 70 2HE LYS 70 -6.160 14.440 -20.710 512 HE3 LYS 70 1HE LYS 70 -5.114 13.562 -21.827 513 HZ1 LYS 70 3HZ LYS 70 -5.710 12.723 -19.046 514 HZ2 LYS 70 1HZ LYS 70 -4.801 11.856 -20.175 515 HZ3 LYS 70 2HZ LYS 70 -6.456 12.093 -20.420 516 H LEU 71 H LEU 71 -3.471 18.749 -23.113 517 HA LEU 71 HA LEU 71 -4.561 20.999 -21.668 518 HB2 LEU 71 2HB LEU 71 -5.614 21.549 -23.879 519 HB3 LEU 71 1HB LEU 71 -3.865 21.453 -23.871 520 HG LEU 71 HG LEU 71 -4.178 19.054 -24.780 521 HD11 LEU 71 1HD1 LEU 71 -6.912 20.164 -25.424 522 HD12 LEU 71 2HD1 LEU 71 -6.558 18.804 -24.359 523 HD13 LEU 71 3HD1 LEU 71 -6.221 18.681 -26.083 524 HD21 LEU 71 3HD2 LEU 71 -3.274 20.903 -26.099 525 HD22 LEU 71 1HD2 LEU 71 -4.910 21.417 -26.516 526 HD23 LEU 71 2HD2 LEU 71 -4.301 19.860 -27.082 527 H GLU 72 H GLU 72 -6.822 21.556 -21.588 528 HA GLU 72 HA GLU 72 -8.614 19.223 -21.326 529 HB2 GLU 72 2HB GLU 72 -8.740 21.978 -20.075 530 HB3 GLU 72 1HB GLU 72 -9.984 20.752 -19.888 531 HG2 GLU 72 2HG GLU 72 -7.120 20.347 -19.048 532 HG3 GLU 72 1HG GLU 72 -8.374 20.976 -17.979 533 H HIS 73 H HIS 73 -10.716 19.288 -22.238 534 HA HIS 73 HA HIS 73 -11.846 21.494 -23.582 535 HB2 HIS 73 2HB HIS 73 -9.954 21.121 -25.145 536 HB3 HIS 73 1HB HIS 73 -10.517 19.476 -25.414 537 HD1 HIS 73 HD1 HIS 73 -12.128 19.164 -27.291 538 HD2 HIS 73 HD2 HIS 73 -11.861 23.137 -26.102 539 HE1 HIS 73 HE1 HIS 73 -13.518 20.456 -28.935 540 HE2 HIS 73 HE2 HIS 73 -13.185 22.865 -28.305 541 H HIS 74 H HIS 74 -14.001 21.074 -23.540 542 HA HIS 74 HA HIS 74 -14.882 18.251 -23.780 543 HB2 HIS 74 2HB HIS 74 -15.172 19.119 -21.490 544 HB3 HIS 74 1HB HIS 74 -16.158 20.438 -22.110 545 HD1 HIS 74 HD1 HIS 74 -18.612 19.955 -22.536 546 HD2 HIS 74 HD2 HIS 74 -16.433 16.540 -21.607 547 HE1 HIS 74 HE1 HIS 74 -20.314 18.139 -22.199 548 HE2 HIS 74 HE2 HIS 74 -18.983 16.123 -21.504 549 H HIS 75 H HIS 75 -15.862 17.920 -25.668 550 HA HIS 75 HA HIS 75 -17.167 19.918 -27.231 551 HB2 HIS 75 2HB HIS 75 -17.182 16.894 -27.366 552 HB3 HIS 75 1HB HIS 75 -18.047 17.900 -28.521 553 HD1 HIS 75 HD1 HIS 75 -14.667 16.618 -27.695 554 HD2 HIS 75 HD2 HIS 75 -16.378 19.392 -30.277 555 HE1 HIS 75 HE1 HIS 75 -12.902 17.132 -29.397 556 HE2 HIS 75 HE2 HIS 75 -13.958 18.793 -30.959 557 H HIS 76 H HIS 76 -19.432 20.043 -27.780 558 HA HIS 76 HA HIS 76 -21.203 19.253 -25.555 559 HB2 HIS 76 2HB HIS 76 -21.395 21.458 -27.602 560 HB3 HIS 76 1HB HIS 76 -22.795 20.944 -26.666 561 HD1 HIS 76 HD1 HIS 76 -22.948 21.708 -24.257 562 HD2 HIS 76 HD2 HIS 76 -19.338 22.707 -26.061 563 HE1 HIS 76 HE1 HIS 76 -21.819 23.297 -22.673 564 HE2 HIS 76 HE2 HIS 76 -19.660 23.921 -23.802 565 H HIS 77 H HIS 77 -23.175 18.248 -25.918 566 HA HIS 77 HA HIS 77 -23.444 16.915 -28.540 567 HB2 HIS 77 2HB HIS 77 -22.844 15.410 -26.660 568 HB3 HIS 77 1HB HIS 77 -24.306 15.902 -25.815 569 HD1 HIS 77 HD1 HIS 77 -26.605 15.179 -26.996 570 HD2 HIS 77 HD2 HIS 77 -23.164 13.344 -28.427 571 HE1 HIS 77 HE1 HIS 77 -27.395 13.168 -28.265 572 HE2 HIS 77 HE2 HIS 77 -25.291 11.934 -28.855 573 H HIS 78 H HIS 78 -25.410 16.907 -29.556 574 HA HIS 78 HA HIS 78 -27.456 18.710 -28.526 575 HB2 HIS 78 2HB HIS 78 -27.261 17.258 -31.180 576 HB3 HIS 78 1HB HIS 78 -28.468 18.471 -30.767 577 HD1 HIS 78 HD1 HIS 78 -25.203 18.111 -32.283 578 HD2 HIS 78 HD2 HIS 78 -27.232 21.101 -30.231 579 HE1 HIS 78 HE1 HIS 78 -23.973 20.234 -32.807 580 HE2 HIS 78 HE2 HIS 78 -25.350 22.047 -31.736 Start of MODEL 12 1 H1 MET 1 1H MET 1 -3.495 -10.704 -3.151 2 H2 MET 1 2H MET 1 -4.256 -11.725 -2.041 3 H3 MET 1 3H MET 1 -2.886 -12.259 -2.876 4 HA MET 1 HA MET 1 -2.392 -11.653 -0.566 5 HB2 MET 1 2HB MET 1 -0.397 -10.386 -1.033 6 HB3 MET 1 1HB MET 1 -0.681 -11.463 -2.396 7 HG2 MET 1 2HG MET 1 -1.478 -9.676 -3.748 8 HG3 MET 1 1HG MET 1 -1.547 -8.586 -2.370 9 HE1 MET 1 3HE MET 1 0.654 -10.189 -5.132 10 HE2 MET 1 1HE MET 1 1.249 -11.073 -3.728 11 HE3 MET 1 2HE MET 1 2.294 -9.912 -4.545 12 H ASN 2 H ASN 2 -1.965 -9.865 0.935 13 HA ASN 2 HA ASN 2 -3.863 -7.629 0.660 14 HB2 ASN 2 2HB ASN 2 -2.395 -8.724 3.079 15 HB3 ASN 2 1HB ASN 2 -3.419 -7.292 3.112 16 HD21 ASN 2 1HD2 ASN 2 -3.348 -10.753 2.804 17 HD22 ASN 2 2HD2 ASN 2 -5.037 -10.997 3.076 18 H LEU 3 H LEU 3 -3.156 -5.530 0.450 19 HA LEU 3 HA LEU 3 -0.296 -4.972 0.938 20 HB2 LEU 3 2HB LEU 3 -1.746 -3.785 -1.426 21 HB3 LEU 3 1HB LEU 3 -0.031 -3.750 -1.077 22 HG LEU 3 HG LEU 3 -0.247 -6.374 -1.350 23 HD11 LEU 3 1HD1 LEU 3 -2.632 -6.484 -1.599 24 HD12 LEU 3 2HD1 LEU 3 -1.882 -6.925 -3.131 25 HD13 LEU 3 3HD1 LEU 3 -2.592 -5.324 -2.928 26 HD21 LEU 3 3HD2 LEU 3 -0.226 -4.474 -3.697 27 HD22 LEU 3 1HD2 LEU 3 0.359 -6.139 -3.702 28 HD23 LEU 3 2HD2 LEU 3 1.168 -4.923 -2.714 29 H THR 4 H THR 4 0.202 -2.750 1.399 30 HA THR 4 HA THR 4 -2.138 -1.107 2.149 31 HB THR 4 HB THR 4 0.737 -0.740 3.040 32 HG1 THR 4 HG1 THR 4 -1.289 -2.354 3.987 33 HG21 THR 4 3HG2 THR 4 -0.248 0.773 4.725 34 HG22 THR 4 1HG2 THR 4 -1.833 0.548 3.985 35 HG23 THR 4 2HG2 THR 4 -0.541 1.339 3.080 36 H VAL 5 H VAL 5 -2.674 0.152 0.479 37 HA VAL 5 HA VAL 5 -0.536 1.586 -0.975 38 HB VAL 5 HB VAL 5 -2.029 1.640 -2.943 39 HG11 VAL 5 1HG1 VAL 5 -0.353 -0.123 -2.766 40 HG12 VAL 5 2HG1 VAL 5 -1.795 -0.709 -3.595 41 HG13 VAL 5 3HG1 VAL 5 -1.507 -1.149 -1.911 42 HG21 VAL 5 3HG2 VAL 5 -4.193 1.469 -1.810 43 HG22 VAL 5 1HG2 VAL 5 -3.821 -0.188 -1.326 44 HG23 VAL 5 2HG2 VAL 5 -4.028 0.209 -3.032 45 H ASN 6 H ASN 6 -0.706 3.768 -1.143 46 HA ASN 6 HA ASN 6 -1.403 5.909 -0.808 47 HB2 ASN 6 2HB ASN 6 -4.194 4.750 -1.091 48 HB3 ASN 6 1HB ASN 6 -3.742 6.439 -1.287 49 HD21 ASN 6 1HD2 ASN 6 -2.592 7.058 -3.147 50 HD22 ASN 6 2HD2 ASN 6 -2.537 6.053 -4.549 51 H GLY 7 H GLY 7 -1.005 4.217 1.540 52 HA2 GLY 7 2HA GLY 7 -1.271 4.378 3.823 53 HA3 GLY 7 1HA GLY 7 -2.238 5.818 3.554 54 H LYS 8 H LYS 8 -3.237 2.918 1.968 55 HA LYS 8 HA LYS 8 -5.312 2.420 4.016 56 HB2 LYS 8 2HB LYS 8 -5.658 2.495 1.008 57 HB3 LYS 8 1HB LYS 8 -6.866 1.867 2.119 58 HG2 LYS 8 2HG LYS 8 -7.024 4.096 3.165 59 HG3 LYS 8 1HG LYS 8 -5.866 4.709 1.978 60 HD2 LYS 8 2HD LYS 8 -7.383 4.162 0.160 61 HD3 LYS 8 1HD LYS 8 -8.514 3.422 1.293 62 HE2 LYS 8 2HE LYS 8 -8.834 5.612 2.374 63 HE3 LYS 8 1HE LYS 8 -7.741 6.341 1.194 64 HZ1 LYS 8 3HZ LYS 8 -10.257 4.925 0.499 65 HZ2 LYS 8 1HZ LYS 8 -9.254 5.781 -0.560 66 HZ3 LYS 8 2HZ LYS 8 -10.118 6.602 0.639 67 HA PRO 9 HA PRO 9 -4.144 -1.905 3.409 68 HB2 PRO 9 2HB PRO 9 -6.226 -3.055 4.715 69 HB3 PRO 9 1HB PRO 9 -4.891 -2.269 5.566 70 HG2 PRO 9 2HG PRO 9 -7.628 -1.213 4.950 71 HG3 PRO 9 1HG PRO 9 -6.681 -1.067 6.444 72 HD2 PRO 9 2HD PRO 9 -6.871 0.928 4.589 73 HD3 PRO 9 1HD PRO 9 -5.460 0.710 5.642 74 H SER 10 H SER 10 -4.682 -3.498 1.916 75 HA SER 10 HA SER 10 -7.285 -3.410 0.568 76 HB2 SER 10 2HB SER 10 -6.296 -3.232 -1.662 77 HB3 SER 10 1HB SER 10 -5.838 -1.833 -0.691 78 HG SER 10 HG SER 10 -3.822 -2.837 -0.323 79 H THR 11 H THR 11 -7.567 -5.243 -0.973 80 HA THR 11 HA THR 11 -5.790 -7.533 -0.476 81 HB THR 11 HB THR 11 -8.791 -7.715 -0.075 82 HG1 THR 11 HG1 THR 11 -6.640 -7.606 1.793 83 HG21 THR 11 3HG2 THR 11 -7.794 -9.784 -0.938 84 HG22 THR 11 1HG2 THR 11 -8.307 -9.984 0.738 85 HG23 THR 11 2HG2 THR 11 -6.601 -9.757 0.361 86 H VAL 12 H VAL 12 -5.176 -7.991 -2.524 87 HA VAL 12 HA VAL 12 -7.241 -8.112 -4.629 88 HB VAL 12 HB VAL 12 -5.412 -8.131 -6.268 89 HG11 VAL 12 1HG1 VAL 12 -5.159 -5.886 -4.261 90 HG12 VAL 12 2HG1 VAL 12 -6.343 -5.986 -5.565 91 HG13 VAL 12 3HG1 VAL 12 -4.626 -5.832 -5.940 92 HG21 VAL 12 3HG2 VAL 12 -3.574 -7.892 -3.878 93 HG22 VAL 12 1HG2 VAL 12 -3.085 -7.731 -5.565 94 HG23 VAL 12 2HG2 VAL 12 -3.693 -9.274 -4.966 95 H ASP 13 H ASP 13 -7.892 -10.003 -5.446 96 HA ASP 13 HA ASP 13 -6.983 -12.451 -4.240 97 HB2 ASP 13 2HB ASP 13 -9.372 -12.030 -4.683 98 HB3 ASP 13 1HB ASP 13 -9.047 -11.989 -6.413 99 H GLY 14 H GLY 14 -6.331 -14.369 -5.444 100 HA2 GLY 14 2HA GLY 14 -5.300 -15.529 -7.173 101 HA3 GLY 14 1HA GLY 14 -5.389 -14.088 -8.167 102 H ALA 15 H ALA 15 -3.900 -12.244 -7.227 103 HA ALA 15 HA ALA 15 -1.241 -13.142 -7.551 104 HB1 ALA 15 3HB ALA 15 -0.607 -10.819 -7.149 105 HB2 ALA 15 1HB ALA 15 -2.234 -10.469 -6.562 106 HB3 ALA 15 2HB ALA 15 -1.982 -10.924 -8.248 107 H GLU 16 H GLU 16 -0.293 -14.408 -6.051 108 HA GLU 16 HA GLU 16 -0.538 -13.791 -3.201 109 HB2 GLU 16 2HB GLU 16 0.807 -16.070 -4.662 110 HB3 GLU 16 1HB GLU 16 0.840 -15.875 -2.915 111 HG2 GLU 16 2HG GLU 16 -1.621 -16.022 -2.880 112 HG3 GLU 16 1HG GLU 16 -1.606 -16.296 -4.623 113 H SER 17 H SER 17 2.030 -14.087 -5.656 114 HA SER 17 HA SER 17 3.567 -12.000 -4.326 115 HB2 SER 17 2HB SER 17 4.655 -14.813 -4.637 116 HB3 SER 17 1HB SER 17 5.685 -13.408 -4.385 117 HG SER 17 HG SER 17 3.574 -13.761 -2.597 118 H LEU 18 H LEU 18 4.525 -10.710 -5.808 119 HA LEU 18 HA LEU 18 5.527 -11.737 -8.308 120 HB2 LEU 18 2HB LEU 18 4.078 -10.094 -9.656 121 HB3 LEU 18 1HB LEU 18 3.374 -11.612 -9.155 122 HG LEU 18 HG LEU 18 2.271 -10.392 -7.244 123 HD11 LEU 18 1HD1 LEU 18 3.207 -7.945 -8.743 124 HD12 LEU 18 2HD1 LEU 18 3.692 -8.430 -7.117 125 HD13 LEU 18 3HD1 LEU 18 2.025 -7.956 -7.434 126 HD21 LEU 18 3HD2 LEU 18 1.046 -10.997 -9.259 127 HD22 LEU 18 1HD2 LEU 18 1.571 -9.508 -10.047 128 HD23 LEU 18 2HD2 LEU 18 0.502 -9.436 -8.646 129 H ASN 19 H ASN 19 6.813 -10.263 -9.477 130 HA ASN 19 HA ASN 19 8.185 -8.307 -8.001 131 HB2 ASN 19 2HB ASN 19 9.139 -7.623 -10.229 132 HB3 ASN 19 1HB ASN 19 9.281 -9.340 -9.871 133 HD21 ASN 19 1HD2 ASN 19 9.280 -7.925 -12.441 134 HD22 ASN 19 2HD2 ASN 19 8.005 -8.638 -13.358 135 H VAL 20 H VAL 20 8.291 -5.992 -8.325 136 HA VAL 20 HA VAL 20 5.853 -4.675 -8.085 137 HB VAL 20 HB VAL 20 8.449 -3.435 -9.042 138 HG11 VAL 20 1HG1 VAL 20 6.059 -2.196 -7.664 139 HG12 VAL 20 2HG1 VAL 20 6.542 -1.944 -9.343 140 HG13 VAL 20 3HG1 VAL 20 7.573 -1.368 -8.032 141 HG21 VAL 20 3HG2 VAL 20 8.799 -4.691 -6.984 142 HG22 VAL 20 1HG2 VAL 20 7.434 -3.865 -6.228 143 HG23 VAL 20 2HG2 VAL 20 8.880 -2.958 -6.669 144 H THR 21 H THR 21 7.756 -5.296 -10.986 145 HA THR 21 HA THR 21 6.486 -3.688 -12.851 146 HB THR 21 HB THR 21 7.373 -6.539 -13.364 147 HG1 THR 21 HG1 THR 21 9.410 -5.526 -13.858 148 HG21 THR 21 3HG2 THR 21 7.228 -4.138 -15.204 149 HG22 THR 21 1HG2 THR 21 6.117 -5.509 -15.218 150 HG23 THR 21 2HG2 THR 21 7.814 -5.743 -15.637 151 H GLU 22 H GLU 22 5.535 -7.006 -11.873 152 HA GLU 22 HA GLU 22 3.158 -7.040 -13.443 153 HB2 GLU 22 2HB GLU 22 4.047 -8.723 -11.096 154 HB3 GLU 22 1HB GLU 22 2.535 -8.999 -11.951 155 HG2 GLU 22 2HG GLU 22 5.281 -9.087 -13.193 156 HG3 GLU 22 1HG GLU 22 4.332 -10.490 -12.705 157 H LEU 23 H LEU 23 3.817 -6.153 -10.070 158 HA LEU 23 HA LEU 23 1.226 -5.723 -9.151 159 HB2 LEU 23 2HB LEU 23 3.201 -5.503 -7.723 160 HB3 LEU 23 1HB LEU 23 3.700 -4.071 -8.605 161 HG LEU 23 HG LEU 23 1.650 -2.901 -7.801 162 HD11 LEU 23 1HD1 LEU 23 1.265 -5.392 -6.135 163 HD12 LEU 23 2HD1 LEU 23 0.211 -4.815 -7.427 164 HD13 LEU 23 3HD1 LEU 23 0.373 -3.880 -5.942 165 HD21 LEU 23 3HD2 LEU 23 3.769 -2.601 -6.640 166 HD22 LEU 23 1HD2 LEU 23 3.439 -4.012 -5.633 167 HD23 LEU 23 2HD2 LEU 23 2.427 -2.572 -5.498 168 H LEU 24 H LEU 24 3.328 -3.380 -10.838 169 HA LEU 24 HA LEU 24 1.497 -1.281 -11.104 170 HB2 LEU 24 2HB LEU 24 3.676 -2.111 -13.036 171 HB3 LEU 24 1HB LEU 24 2.896 -0.539 -12.992 172 HG LEU 24 HG LEU 24 4.594 -1.694 -10.767 173 HD11 LEU 24 1HD1 LEU 24 5.930 -1.182 -12.748 174 HD12 LEU 24 2HD1 LEU 24 6.278 -0.058 -11.435 175 HD13 LEU 24 3HD1 LEU 24 5.263 0.451 -12.785 176 HD21 LEU 24 3HD2 LEU 24 3.354 1.043 -11.102 177 HD22 LEU 24 1HD2 LEU 24 4.499 0.589 -9.839 178 HD23 LEU 24 2HD2 LEU 24 2.913 -0.175 -9.905 179 H SER 25 H SER 25 2.076 -4.086 -13.183 180 HA SER 25 HA SER 25 0.209 -3.402 -15.215 181 HB2 SER 25 2HB SER 25 2.028 -5.018 -15.585 182 HB3 SER 25 1HB SER 25 1.296 -6.119 -14.422 183 HG SER 25 HG SER 25 0.871 -6.164 -16.931 184 H ALA 26 H ALA 26 -0.117 -5.049 -12.132 185 HA ALA 26 HA ALA 26 -2.685 -6.187 -12.558 186 HB1 ALA 26 3HB ALA 26 -1.370 -5.378 -9.965 187 HB2 ALA 26 1HB ALA 26 -1.196 -6.938 -10.768 188 HB3 ALA 26 2HB ALA 26 -2.764 -6.446 -10.129 189 H LEU 27 H LEU 27 -1.640 -3.130 -11.042 190 HA LEU 27 HA LEU 27 -4.321 -2.110 -10.794 191 HB2 LEU 27 2HB LEU 27 -1.604 -0.807 -10.595 192 HB3 LEU 27 1HB LEU 27 -3.091 0.111 -10.465 193 HG LEU 27 HG LEU 27 -3.735 -1.268 -8.496 194 HD11 LEU 27 1HD1 LEU 27 -0.946 -2.400 -8.730 195 HD12 LEU 27 2HD1 LEU 27 -2.456 -3.283 -8.960 196 HD13 LEU 27 3HD1 LEU 27 -2.050 -2.635 -7.372 197 HD21 LEU 27 3HD2 LEU 27 -2.675 0.906 -8.202 198 HD22 LEU 27 1HD2 LEU 27 -1.081 0.151 -8.255 199 HD23 LEU 27 2HD2 LEU 27 -2.188 -0.211 -6.930 200 H LYS 28 H LYS 28 -1.966 -2.266 -13.273 201 HA LYS 28 HA LYS 28 -1.984 -1.789 -15.476 202 HB2 LYS 28 2HB LYS 28 -4.418 -2.632 -15.146 203 HB3 LYS 28 1HB LYS 28 -4.869 -0.938 -15.296 204 HG2 LYS 28 2HG LYS 28 -3.903 -0.833 -17.516 205 HG3 LYS 28 1HG LYS 28 -3.312 -2.490 -17.365 206 HD2 LYS 28 2HD LYS 28 -5.691 -3.238 -17.114 207 HD3 LYS 28 1HD LYS 28 -6.195 -1.582 -17.466 208 HE2 LYS 28 2HE LYS 28 -6.313 -2.953 -19.475 209 HE3 LYS 28 1HE LYS 28 -5.068 -1.716 -19.648 210 HZ1 LYS 28 3HZ LYS 28 -3.413 -3.421 -19.032 211 HZ2 LYS 28 1HZ LYS 28 -4.239 -3.801 -20.459 212 HZ3 LYS 28 2HZ LYS 28 -4.636 -4.588 -19.018 213 H VAL 29 H VAL 29 -1.166 0.215 -13.653 214 HA VAL 29 HA VAL 29 -2.168 2.781 -14.324 215 HB VAL 29 HB VAL 29 -0.887 2.429 -12.275 216 HG11 VAL 29 1HG1 VAL 29 1.501 1.966 -14.067 217 HG12 VAL 29 2HG1 VAL 29 0.694 0.752 -13.075 218 HG13 VAL 29 3HG1 VAL 29 1.541 2.095 -12.308 219 HG21 VAL 29 3HG2 VAL 29 -0.957 4.691 -13.196 220 HG22 VAL 29 1HG2 VAL 29 0.489 4.362 -14.155 221 HG23 VAL 29 2HG2 VAL 29 0.585 4.395 -12.394 222 H ALA 30 H ALA 30 -1.773 4.099 -16.010 223 HA ALA 30 HA ALA 30 -0.580 3.129 -18.363 224 HB1 ALA 30 3HB ALA 30 -2.359 4.827 -18.321 225 HB2 ALA 30 1HB ALA 30 -0.975 5.331 -19.292 226 HB3 ALA 30 2HB ALA 30 -1.209 5.999 -17.675 227 H GLN 31 H GLN 31 0.714 5.235 -15.835 228 HA GLN 31 HA GLN 31 3.264 5.429 -17.285 229 HB2 GLN 31 2HB GLN 31 2.229 6.951 -14.881 230 HB3 GLN 31 1HB GLN 31 3.843 7.144 -15.548 231 HG2 GLN 31 2HG GLN 31 1.298 7.663 -17.077 232 HG3 GLN 31 1HG GLN 31 2.240 8.902 -16.253 233 HE21 GLN 31 1HE2 GLN 31 2.106 6.741 -18.966 234 HE22 GLN 31 2HE2 GLN 31 3.414 7.444 -19.843 235 H ALA 32 H ALA 32 4.032 3.315 -16.885 236 HA ALA 32 HA ALA 32 4.557 2.537 -14.109 237 HB1 ALA 32 3HB ALA 32 5.180 1.082 -16.685 238 HB2 ALA 32 1HB ALA 32 3.752 0.831 -15.680 239 HB3 ALA 32 2HB ALA 32 5.351 0.430 -15.054 240 H GLU 33 H GLU 33 6.362 3.200 -17.090 241 HA GLU 33 HA GLU 33 8.978 3.065 -16.163 242 HB2 GLU 33 2HB GLU 33 8.377 3.311 -18.522 243 HB3 GLU 33 1HB GLU 33 7.750 4.922 -18.220 244 HG2 GLU 33 2HG GLU 33 9.839 5.225 -19.240 245 HG3 GLU 33 1HG GLU 33 10.089 5.579 -17.534 246 H TYR 34 H TYR 34 6.556 5.463 -15.497 247 HA TYR 34 HA TYR 34 8.570 7.244 -14.258 248 HB2 TYR 34 2HB TYR 34 5.947 8.148 -15.474 249 HB3 TYR 34 1HB TYR 34 7.280 9.159 -14.925 250 HD1 TYR 34 HD1 TYR 34 9.376 9.282 -16.269 251 HD2 TYR 34 HD2 TYR 34 5.968 7.121 -17.628 252 HE1 TYR 34 HE1 TYR 34 10.316 9.233 -18.542 253 HE2 TYR 34 HE2 TYR 34 6.897 7.064 -19.895 254 HH TYR 34 HH TYR 34 10.117 7.845 -20.583 255 H VAL 35 H VAL 35 6.952 5.054 -13.003 256 HA VAL 35 HA VAL 35 5.054 6.508 -11.325 257 HB VAL 35 HB VAL 35 4.488 4.235 -12.160 258 HG11 VAL 35 1HG1 VAL 35 6.694 3.203 -12.019 259 HG12 VAL 35 2HG1 VAL 35 5.497 2.266 -11.128 260 HG13 VAL 35 3HG1 VAL 35 6.636 3.293 -10.258 261 HG21 VAL 35 3HG2 VAL 35 4.624 4.474 -9.152 262 HG22 VAL 35 1HG2 VAL 35 3.546 3.414 -10.061 263 HG23 VAL 35 2HG2 VAL 35 3.378 5.167 -10.191 264 H THR 36 H THR 36 5.328 7.022 -9.201 265 HA THR 36 HA THR 36 7.964 6.544 -8.001 266 HB THR 36 HB THR 36 5.738 8.325 -6.957 267 HG1 THR 36 HG1 THR 36 6.992 10.031 -7.870 268 HG21 THR 36 3HG2 THR 36 7.361 7.636 -5.249 269 HG22 THR 36 1HG2 THR 36 7.524 9.353 -5.618 270 HG23 THR 36 2HG2 THR 36 8.683 8.197 -6.272 271 H VAL 37 H VAL 37 7.933 4.501 -7.136 272 HA VAL 37 HA VAL 37 5.809 3.913 -5.159 273 HB VAL 37 HB VAL 37 6.209 1.503 -5.569 274 HG11 VAL 37 1HG1 VAL 37 5.078 1.378 -7.747 275 HG12 VAL 37 2HG1 VAL 37 5.461 3.076 -8.040 276 HG13 VAL 37 3HG1 VAL 37 4.379 2.629 -6.721 277 HG21 VAL 37 3HG2 VAL 37 8.502 1.592 -6.382 278 HG22 VAL 37 1HG2 VAL 37 7.982 2.468 -7.822 279 HG23 VAL 37 2HG2 VAL 37 7.468 0.799 -7.571 280 H GLU 38 H GLU 38 6.409 3.369 -3.114 281 HA GLU 38 HA GLU 38 9.284 2.927 -2.612 282 HB2 GLU 38 2HB GLU 38 9.042 4.056 -0.453 283 HB3 GLU 38 1HB GLU 38 8.629 5.123 -1.785 284 HG2 GLU 38 2HG GLU 38 6.246 4.740 -1.338 285 HG3 GLU 38 1HG GLU 38 6.677 3.700 0.019 286 H LEU 39 H LEU 39 9.847 1.165 -1.485 287 HA LEU 39 HA LEU 39 7.744 -0.698 -0.720 288 HB2 LEU 39 2HB LEU 39 9.838 -1.275 -2.081 289 HB3 LEU 39 1HB LEU 39 10.729 -1.153 -0.579 290 HG LEU 39 HG LEU 39 10.105 -3.488 -1.320 291 HD11 LEU 39 1HD1 LEU 39 10.763 -3.038 0.982 292 HD12 LEU 39 2HD1 LEU 39 9.518 -4.283 0.906 293 HD13 LEU 39 3HD1 LEU 39 9.094 -2.642 1.393 294 HD21 LEU 39 3HD2 LEU 39 7.856 -3.005 -2.143 295 HD22 LEU 39 1HD2 LEU 39 7.329 -2.619 -0.503 296 HD23 LEU 39 2HD2 LEU 39 7.826 -4.262 -0.907 297 H ASN 40 H ASN 40 6.872 -0.059 1.192 298 HA ASN 40 HA ASN 40 6.603 0.063 3.437 299 HB2 ASN 40 2HB ASN 40 9.306 -1.288 3.480 300 HB3 ASN 40 1HB ASN 40 8.339 -1.003 4.919 301 HD21 ASN 40 1HD2 ASN 40 7.140 -1.982 1.746 302 HD22 ASN 40 2HD2 ASN 40 6.603 -3.545 2.240 303 H GLY 41 H GLY 41 8.751 1.999 1.873 304 HA2 GLY 41 2HA GLY 41 8.619 4.218 3.315 305 HA3 GLY 41 1HA GLY 41 9.787 3.327 4.271 306 H GLU 42 H GLU 42 10.527 2.344 1.247 307 HA GLU 42 HA GLU 42 12.225 4.693 0.678 308 HB2 GLU 42 2HB GLU 42 13.559 3.004 1.867 309 HB3 GLU 42 1HB GLU 42 13.149 1.813 0.639 310 HG2 GLU 42 2HG GLU 42 14.339 3.077 -1.047 311 HG3 GLU 42 1HG GLU 42 14.664 4.370 0.106 312 H VAL 43 H VAL 43 12.233 5.351 -1.371 313 HA VAL 43 HA VAL 43 10.521 4.188 -3.297 314 HB VAL 43 HB VAL 43 10.970 6.592 -3.241 315 HG11 VAL 43 1HG1 VAL 43 13.321 6.550 -2.614 316 HG12 VAL 43 2HG1 VAL 43 13.080 7.519 -4.069 317 HG13 VAL 43 3HG1 VAL 43 13.746 5.889 -4.194 318 HG21 VAL 43 3HG2 VAL 43 11.827 5.321 -5.847 319 HG22 VAL 43 1HG2 VAL 43 11.235 6.972 -5.649 320 HG23 VAL 43 2HG2 VAL 43 10.166 5.607 -5.328 321 H LEU 44 H LEU 44 10.893 2.956 -5.091 322 HA LEU 44 HA LEU 44 13.459 1.560 -5.251 323 HB2 LEU 44 2HB LEU 44 10.816 1.061 -6.628 324 HB3 LEU 44 1HB LEU 44 12.258 0.107 -6.910 325 HG LEU 44 HG LEU 44 12.221 -0.517 -4.466 326 HD11 LEU 44 1HD1 LEU 44 10.084 -0.244 -3.270 327 HD12 LEU 44 2HD1 LEU 44 9.504 0.792 -4.575 328 HD13 LEU 44 3HD1 LEU 44 10.881 1.296 -3.594 329 HD21 LEU 44 3HD2 LEU 44 9.829 -1.287 -6.140 330 HD22 LEU 44 1HD2 LEU 44 10.422 -2.168 -4.731 331 HD23 LEU 44 2HD2 LEU 44 11.422 -2.044 -6.178 332 H GLU 45 H GLU 45 14.751 1.487 -7.077 333 HA GLU 45 HA GLU 45 14.575 3.661 -8.941 334 HB2 GLU 45 2HB GLU 45 16.753 2.795 -8.177 335 HB3 GLU 45 1HB GLU 45 16.405 1.239 -8.916 336 HG2 GLU 45 2HG GLU 45 17.942 2.566 -10.273 337 HG3 GLU 45 1HG GLU 45 16.431 2.251 -11.125 338 H ARG 46 H ARG 46 14.280 3.487 -11.215 339 HA ARG 46 HA ARG 46 12.029 2.171 -12.059 340 HB2 ARG 46 2HB ARG 46 14.384 3.092 -13.715 341 HB3 ARG 46 1HB ARG 46 12.798 2.696 -14.369 342 HG2 ARG 46 2HG ARG 46 11.788 4.557 -13.396 343 HG3 ARG 46 1HG ARG 46 13.082 4.763 -12.213 344 HD2 ARG 46 2HD ARG 46 13.094 6.475 -14.014 345 HD3 ARG 46 1HD ARG 46 14.590 5.548 -13.906 346 HE ARG 46 HE ARG 46 12.587 4.672 -15.838 347 HH11 ARG 46 1HH1 ARG 46 15.632 6.175 -15.227 348 HH12 ARG 46 2HH1 ARG 46 16.117 6.108 -16.883 349 HH21 ARG 46 1HH2 ARG 46 13.242 4.533 -17.929 350 HH22 ARG 46 2HH2 ARG 46 14.770 5.195 -18.407 351 H GLU 47 H GLU 47 15.377 1.132 -12.873 352 HA GLU 47 HA GLU 47 14.387 -1.352 -13.986 353 HB2 GLU 47 2HB GLU 47 16.357 -0.021 -14.871 354 HB3 GLU 47 1HB GLU 47 17.272 -0.595 -13.483 355 HG2 GLU 47 2HG GLU 47 17.064 -2.878 -14.222 356 HG3 GLU 47 1HG GLU 47 15.977 -2.400 -15.525 357 H ALA 48 H ALA 48 14.094 -0.754 -11.018 358 HA ALA 48 HA ALA 48 15.363 -3.227 -10.002 359 HB1 ALA 48 3HB ALA 48 15.253 -2.261 -7.766 360 HB2 ALA 48 1HB ALA 48 14.478 -0.813 -8.415 361 HB3 ALA 48 2HB ALA 48 16.140 -1.200 -8.862 362 H PHE 49 H PHE 49 12.498 -2.199 -11.170 363 HA PHE 49 HA PHE 49 10.613 -2.918 -9.189 364 HB2 PHE 49 2HB PHE 49 10.329 -2.838 -12.203 365 HB3 PHE 49 1HB PHE 49 8.987 -3.030 -11.081 366 HD1 PHE 49 HD2 PHE 49 10.290 -1.024 -9.008 367 HD2 PHE 49 HD1 PHE 49 9.370 -0.832 -13.166 368 HE1 PHE 49 HE2 PHE 49 10.077 1.421 -8.846 369 HE2 PHE 49 HE1 PHE 49 9.157 1.613 -13.003 370 HZ PHE 49 HZ PHE 49 9.513 2.744 -10.841 371 H ASP 50 H ASP 50 12.336 -4.847 -11.574 372 HA ASP 50 HA ASP 50 10.740 -7.218 -11.079 373 HB2 ASP 50 2HB ASP 50 13.344 -6.864 -12.585 374 HB3 ASP 50 1HB ASP 50 12.382 -8.341 -12.553 375 H ALA 51 H ALA 51 13.785 -5.862 -10.004 376 HA ALA 51 HA ALA 51 14.907 -8.094 -8.736 377 HB1 ALA 51 3HB ALA 51 16.235 -6.488 -7.462 378 HB2 ALA 51 1HB ALA 51 15.156 -5.187 -7.963 379 HB3 ALA 51 2HB ALA 51 16.140 -6.028 -9.162 380 H THR 52 H THR 52 12.565 -5.719 -7.520 381 HA THR 52 HA THR 52 12.456 -7.083 -4.919 382 HB THR 52 HB THR 52 11.094 -4.530 -5.821 383 HG1 THR 52 HG1 THR 52 13.556 -4.772 -5.375 384 HG21 THR 52 3HG2 THR 52 10.601 -4.190 -3.432 385 HG22 THR 52 1HG2 THR 52 11.284 -5.775 -3.065 386 HG23 THR 52 2HG2 THR 52 9.823 -5.647 -4.046 387 H THR 53 H THR 53 11.012 -8.645 -4.583 388 HA THR 53 HA THR 53 8.644 -8.853 -6.304 389 HB THR 53 HB THR 53 9.820 -10.835 -4.337 390 HG1 THR 53 HG1 THR 53 9.887 -11.911 -6.641 391 HG21 THR 53 3HG2 THR 53 7.463 -11.146 -6.210 392 HG22 THR 53 1HG2 THR 53 7.400 -11.129 -4.449 393 HG23 THR 53 2HG2 THR 53 8.213 -12.450 -5.289 394 H VAL 54 H VAL 54 6.821 -7.959 -5.631 395 HA VAL 54 HA VAL 54 6.282 -7.241 -2.908 396 HB VAL 54 HB VAL 54 4.398 -7.276 -5.283 397 HG11 VAL 54 1HG1 VAL 54 3.090 -5.637 -4.007 398 HG12 VAL 54 2HG1 VAL 54 4.206 -5.800 -2.651 399 HG13 VAL 54 3HG1 VAL 54 3.215 -7.172 -3.146 400 HG21 VAL 54 3HG2 VAL 54 6.388 -5.893 -5.700 401 HG22 VAL 54 1HG2 VAL 54 6.079 -5.001 -4.208 402 HG23 VAL 54 2HG2 VAL 54 4.932 -4.911 -5.546 403 H LYS 55 H LYS 55 4.809 -8.152 -1.477 404 HA LYS 55 HA LYS 55 3.560 -10.716 -2.166 405 HB2 LYS 55 2HB LYS 55 4.548 -11.698 -0.038 406 HB3 LYS 55 1HB LYS 55 5.686 -11.447 -1.360 407 HG2 LYS 55 2HG LYS 55 6.507 -9.426 -0.333 408 HG3 LYS 55 1HG LYS 55 5.297 -9.541 0.942 409 HD2 LYS 55 2HD LYS 55 6.332 -11.567 1.785 410 HD3 LYS 55 1HD LYS 55 7.495 -11.555 0.454 411 HE2 LYS 55 2HE LYS 55 8.406 -10.661 2.602 412 HE3 LYS 55 1HE LYS 55 8.495 -9.525 1.257 413 HZ1 LYS 55 3HZ LYS 55 7.728 -8.461 3.296 414 HZ2 LYS 55 1HZ LYS 55 6.408 -9.515 3.371 415 HZ3 LYS 55 2HZ LYS 55 6.532 -8.411 2.101 416 H ASP 56 H ASP 56 2.582 -11.566 0.108 417 HA ASP 56 HA ASP 56 0.475 -9.792 0.734 418 HB2 ASP 56 2HB ASP 56 0.303 -12.269 0.768 419 HB3 ASP 56 1HB ASP 56 1.331 -12.299 2.197 420 H GLY 57 H GLY 57 0.986 -7.903 1.768 421 HA2 GLY 57 2HA GLY 57 0.846 -7.062 4.067 422 HA3 GLY 57 1HA GLY 57 2.116 -8.195 4.493 423 H ASP 58 H ASP 58 2.182 -6.215 1.573 424 HA ASP 58 HA ASP 58 4.428 -4.706 2.750 425 HB2 ASP 58 2HB ASP 58 3.946 -5.771 -0.000 426 HB3 ASP 58 1HB ASP 58 4.892 -4.297 0.173 427 H ALA 59 H ALA 59 4.461 -2.548 2.748 428 HA ALA 59 HA ALA 59 2.072 -1.122 1.837 429 HB1 ALA 59 3HB ALA 59 4.378 -0.157 3.537 430 HB2 ALA 59 1HB ALA 59 2.838 -0.767 4.141 431 HB3 ALA 59 2HB ALA 59 2.888 0.727 3.205 432 H VAL 60 H VAL 60 2.217 -0.637 -0.297 433 HA VAL 60 HA VAL 60 4.641 0.770 -1.224 434 HB VAL 60 HB VAL 60 3.890 0.302 -3.544 435 HG11 VAL 60 1HG1 VAL 60 4.195 -2.169 -1.826 436 HG12 VAL 60 2HG1 VAL 60 5.510 -1.175 -2.452 437 HG13 VAL 60 3HG1 VAL 60 4.481 -2.077 -3.565 438 HG21 VAL 60 3HG2 VAL 60 2.139 -1.408 -3.934 439 HG22 VAL 60 1HG2 VAL 60 1.492 0.064 -3.205 440 HG23 VAL 60 2HG2 VAL 60 1.747 -1.375 -2.213 441 H GLU 61 H GLU 61 4.302 2.871 -0.751 442 HA GLU 61 HA GLU 61 1.686 4.008 -0.746 443 HB2 GLU 61 2HB GLU 61 4.412 5.210 -0.335 444 HB3 GLU 61 1HB GLU 61 2.944 6.181 -0.318 445 HG2 GLU 61 2HG GLU 61 3.590 3.888 1.521 446 HG3 GLU 61 1HG GLU 61 3.612 5.597 1.923 447 H PHE 62 H PHE 62 0.772 4.014 -2.684 448 HA PHE 62 HA PHE 62 1.944 5.427 -4.928 449 HB2 PHE 62 2HB PHE 62 -0.618 3.951 -4.434 450 HB3 PHE 62 1HB PHE 62 -0.569 5.119 -5.743 451 HD1 PHE 62 HD2 PHE 62 0.861 1.949 -4.501 452 HD2 PHE 62 HD1 PHE 62 0.598 4.690 -7.751 453 HE1 PHE 62 HE2 PHE 62 1.885 0.282 -5.995 454 HE2 PHE 62 HE1 PHE 62 1.619 3.029 -9.243 455 HZ PHE 62 HZ PHE 62 2.268 0.826 -8.375 456 H LEU 63 H LEU 63 1.329 7.469 -5.659 457 HA LEU 63 HA LEU 63 -0.681 8.961 -4.188 458 HB2 LEU 63 2HB LEU 63 0.830 10.851 -3.701 459 HB3 LEU 63 1HB LEU 63 1.221 9.400 -2.805 460 HG LEU 63 HG LEU 63 2.729 10.290 -5.276 461 HD11 LEU 63 1HD1 LEU 63 2.938 11.971 -3.518 462 HD12 LEU 63 2HD1 LEU 63 4.452 11.097 -3.741 463 HD13 LEU 63 3HD1 LEU 63 3.413 10.721 -2.366 464 HD21 LEU 63 3HD2 LEU 63 2.947 7.905 -4.797 465 HD22 LEU 63 1HD2 LEU 63 3.387 8.260 -3.126 466 HD23 LEU 63 2HD2 LEU 63 4.456 8.743 -4.444 467 H TYR 64 H TYR 64 -1.919 9.819 -5.661 468 HA TYR 64 HA TYR 64 -2.685 10.944 -7.475 469 HB2 TYR 64 2HB TYR 64 0.143 12.009 -7.699 470 HB3 TYR 64 1HB TYR 64 -1.286 12.692 -8.470 471 HD1 TYR 64 HD1 TYR 64 -3.177 13.527 -6.925 472 HD2 TYR 64 HD2 TYR 64 0.776 12.718 -5.545 473 HE1 TYR 64 HE1 TYR 64 -3.593 14.911 -4.938 474 HE2 TYR 64 HE2 TYR 64 0.365 14.098 -3.554 475 HH TYR 64 HH TYR 64 -2.695 15.066 -2.589 476 H PHE 65 H PHE 65 -1.293 8.258 -7.744 477 HA PHE 65 HA PHE 65 -0.913 8.322 -10.678 478 HB2 PHE 65 2HB PHE 65 0.108 6.308 -8.653 479 HB3 PHE 65 1HB PHE 65 0.249 6.118 -10.396 480 HD1 PHE 65 HD2 PHE 65 1.490 7.993 -11.673 481 HD2 PHE 65 HD1 PHE 65 1.788 7.395 -7.464 482 HE1 PHE 65 HE2 PHE 65 3.603 9.251 -11.646 483 HE2 PHE 65 HE1 PHE 65 3.899 8.653 -7.434 484 HZ PHE 65 HZ PHE 65 4.812 9.581 -9.528 485 H MET 66 H MET 66 -2.525 7.483 -11.864 486 HA MET 66 HA MET 66 -4.178 5.314 -10.766 487 HB2 MET 66 2HB MET 66 -5.253 7.907 -11.901 488 HB3 MET 66 1HB MET 66 -6.238 6.478 -11.623 489 HG2 MET 66 2HG MET 66 -5.758 6.588 -9.234 490 HG3 MET 66 1HG MET 66 -4.728 7.992 -9.496 491 HE1 MET 66 3HE MET 66 -8.436 6.621 -9.697 492 HE2 MET 66 1HE MET 66 -8.130 7.243 -11.317 493 HE3 MET 66 2HE MET 66 -9.288 8.058 -10.266 494 H GLY 67 H GLY 67 -5.979 4.899 -12.728 495 HA2 GLY 67 2HA GLY 67 -5.147 5.083 -15.389 496 HA3 GLY 67 1HA GLY 67 -4.445 3.610 -14.736 497 H GLY 68 H GLY 68 -7.612 5.091 -14.086 498 HA2 GLY 68 2HA GLY 68 -9.753 4.336 -14.425 499 HA3 GLY 68 1HA GLY 68 -9.118 3.317 -15.707 500 H GLY 69 H GLY 69 -9.107 1.159 -15.385 501 HA2 GLY 69 2HA GLY 69 -9.035 -0.868 -14.261 502 HA3 GLY 69 1HA GLY 69 -8.874 0.004 -12.748 503 H LYS 70 H LYS 70 -11.087 1.394 -12.392 504 HA LYS 70 HA LYS 70 -13.275 1.355 -11.799 505 HB2 LYS 70 2HB LYS 70 -13.520 -0.731 -13.982 506 HB3 LYS 70 1HB LYS 70 -14.890 -0.059 -13.106 507 HG2 LYS 70 2HG LYS 70 -14.337 2.169 -13.942 508 HG3 LYS 70 1HG LYS 70 -12.955 1.504 -14.811 509 HD2 LYS 70 2HD LYS 70 -14.746 1.785 -16.377 510 HD3 LYS 70 1HD LYS 70 -14.544 0.058 -16.096 511 HE2 LYS 70 2HE LYS 70 -16.562 1.646 -14.535 512 HE3 LYS 70 1HE LYS 70 -16.936 1.064 -16.153 513 HZ1 LYS 70 3HZ LYS 70 -16.541 -1.189 -15.409 514 HZ2 LYS 70 1HZ LYS 70 -17.706 -0.454 -14.431 515 HZ3 LYS 70 2HZ LYS 70 -16.128 -0.652 -13.863 516 H LEU 71 H LEU 71 -13.637 0.668 -9.806 517 HA LEU 71 HA LEU 71 -13.030 -2.000 -8.920 518 HB2 LEU 71 2HB LEU 71 -12.772 -0.053 -7.440 519 HB3 LEU 71 1HB LEU 71 -14.497 0.247 -7.524 520 HG LEU 71 HG LEU 71 -14.909 -1.932 -6.403 521 HD11 LEU 71 1HD1 LEU 71 -12.882 -3.104 -7.093 522 HD12 LEU 71 2HD1 LEU 71 -13.060 -3.118 -5.338 523 HD13 LEU 71 3HD1 LEU 71 -11.904 -2.022 -6.099 524 HD21 LEU 71 3HD2 LEU 71 -14.825 0.126 -5.101 525 HD22 LEU 71 1HD2 LEU 71 -13.081 -0.054 -4.903 526 HD23 LEU 71 2HD2 LEU 71 -14.178 -1.228 -4.178 527 H GLU 72 H GLU 72 -14.289 -3.509 -9.903 528 HA GLU 72 HA GLU 72 -17.119 -3.132 -10.310 529 HB2 GLU 72 2HB GLU 72 -15.443 -5.616 -10.731 530 HB3 GLU 72 1HB GLU 72 -17.058 -5.325 -11.368 531 HG2 GLU 72 2HG GLU 72 -14.583 -3.750 -12.080 532 HG3 GLU 72 1HG GLU 72 -15.307 -5.021 -13.061 533 H HIS 73 H HIS 73 -18.580 -3.427 -8.731 534 HA HIS 73 HA HIS 73 -18.444 -5.833 -7.087 535 HB2 HIS 73 2HB HIS 73 -17.263 -3.903 -5.873 536 HB3 HIS 73 1HB HIS 73 -18.853 -3.161 -5.728 537 HD1 HIS 73 HD1 HIS 73 -20.101 -3.769 -3.665 538 HD2 HIS 73 HD2 HIS 73 -17.222 -6.609 -4.630 539 HE1 HIS 73 HE1 HIS 73 -20.144 -5.440 -1.790 540 HE2 HIS 73 HE2 HIS 73 -18.295 -7.062 -2.322 541 H HIS 74 H HIS 74 -20.329 -6.704 -7.757 542 HA HIS 74 HA HIS 74 -22.695 -5.067 -8.233 543 HB2 HIS 74 2HB HIS 74 -22.048 -6.887 -9.796 544 HB3 HIS 74 1HB HIS 74 -22.288 -8.062 -8.510 545 HD1 HIS 74 HD1 HIS 74 -24.663 -8.849 -8.069 546 HD2 HIS 74 HD2 HIS 74 -24.465 -5.730 -10.810 547 HE1 HIS 74 HE1 HIS 74 -26.960 -8.671 -9.054 548 HE2 HIS 74 HE2 HIS 74 -26.840 -6.743 -10.658 549 H HIS 75 H HIS 75 -24.671 -5.261 -7.124 550 HA HIS 75 HA HIS 75 -24.490 -6.333 -4.405 551 HB2 HIS 75 2HB HIS 75 -26.616 -4.635 -5.737 552 HB3 HIS 75 1HB HIS 75 -26.654 -5.143 -4.051 553 HD1 HIS 75 HD1 HIS 75 -25.247 -2.611 -6.311 554 HD2 HIS 75 HD2 HIS 75 -24.610 -3.927 -2.425 555 HE1 HIS 75 HE1 HIS 75 -23.862 -0.833 -5.220 556 HE2 HIS 75 HE2 HIS 75 -23.398 -1.697 -2.907 557 H HIS 76 H HIS 76 -25.472 -8.143 -3.736 558 HA HIS 76 HA HIS 76 -26.712 -9.914 -5.572 559 HB2 HIS 76 2HB HIS 76 -25.404 -10.678 -3.626 560 HB3 HIS 76 1HB HIS 76 -26.636 -10.038 -2.547 561 HD1 HIS 76 HD1 HIS 76 -27.255 -12.291 -1.530 562 HD2 HIS 76 HD2 HIS 76 -27.602 -12.218 -5.671 563 HE1 HIS 76 HE1 HIS 76 -28.467 -14.401 -2.141 564 HE2 HIS 76 HE2 HIS 76 -28.843 -14.230 -4.621 565 H HIS 77 H HIS 77 -28.032 -7.866 -2.974 566 HA HIS 77 HA HIS 77 -30.692 -8.121 -4.243 567 HB2 HIS 77 2HB HIS 77 -30.134 -8.005 -1.266 568 HB3 HIS 77 1HB HIS 77 -31.733 -7.927 -1.991 569 HD1 HIS 77 HD1 HIS 77 -30.433 -10.156 -0.007 570 HD2 HIS 77 HD2 HIS 77 -31.314 -10.533 -4.049 571 HE1 HIS 77 HE1 HIS 77 -30.732 -12.614 -0.400 572 HE2 HIS 77 HE2 HIS 77 -31.438 -12.801 -2.807 573 H HIS 78 H HIS 78 -32.114 -6.247 -3.879 574 HA HIS 78 HA HIS 78 -30.569 -3.749 -3.569 575 HB2 HIS 78 2HB HIS 78 -33.158 -4.251 -5.060 576 HB3 HIS 78 1HB HIS 78 -32.386 -2.679 -4.894 577 HD1 HIS 78 HD1 HIS 78 -30.381 -2.183 -6.391 578 HD2 HIS 78 HD2 HIS 78 -31.820 -6.059 -6.800 579 HE1 HIS 78 HE1 HIS 78 -29.234 -3.114 -8.413 580 HE2 HIS 78 HE2 HIS 78 -30.191 -5.421 -8.705 Start of MODEL 13 1 H1 MET 1 1H MET 1 -3.507 -10.649 -2.853 2 H2 MET 1 2H MET 1 -4.450 -11.484 -1.723 3 H3 MET 1 3H MET 1 -3.112 -12.237 -2.428 4 HA MET 1 HA MET 1 -2.737 -11.494 -0.125 5 HB2 MET 1 2HB MET 1 -0.535 -10.525 -0.555 6 HB3 MET 1 1HB MET 1 -0.865 -11.837 -1.672 7 HG2 MET 1 2HG MET 1 -1.451 -10.179 -3.404 8 HG3 MET 1 1HG MET 1 -1.017 -8.892 -2.280 9 HE1 MET 1 3HE MET 1 1.945 -8.902 -4.895 10 HE2 MET 1 1HE MET 1 0.682 -7.924 -4.145 11 HE3 MET 1 2HE MET 1 0.250 -9.247 -5.230 12 H ASN 2 H ASN 2 -2.289 -9.723 1.298 13 HA ASN 2 HA ASN 2 -3.925 -7.360 0.737 14 HB2 ASN 2 2HB ASN 2 -2.587 -8.309 3.289 15 HB3 ASN 2 1HB ASN 2 -3.590 -6.865 3.159 16 HD21 ASN 2 1HD2 ASN 2 -3.558 -10.337 3.166 17 HD22 ASN 2 2HD2 ASN 2 -5.264 -10.537 3.367 18 H LEU 3 H LEU 3 -3.056 -5.444 0.158 19 HA LEU 3 HA LEU 3 -0.224 -4.914 0.831 20 HB2 LEU 3 2HB LEU 3 -1.660 -4.150 -1.709 21 HB3 LEU 3 1HB LEU 3 -0.025 -3.680 -1.300 22 HG LEU 3 HG LEU 3 -0.975 -6.514 -1.784 23 HD11 LEU 3 1HD1 LEU 3 -0.923 -5.184 -3.831 24 HD12 LEU 3 2HD1 LEU 3 0.361 -6.391 -3.825 25 HD13 LEU 3 3HD1 LEU 3 0.739 -4.701 -3.488 26 HD21 LEU 3 3HD2 LEU 3 1.798 -5.436 -1.245 27 HD22 LEU 3 1HD2 LEU 3 1.408 -7.098 -1.692 28 HD23 LEU 3 2HD2 LEU 3 0.839 -6.442 -0.159 29 H THR 4 H THR 4 0.217 -2.979 1.744 30 HA THR 4 HA THR 4 -2.018 -1.150 2.248 31 HB THR 4 HB THR 4 0.769 -1.143 3.451 32 HG1 THR 4 HG1 THR 4 -0.264 -2.084 5.251 33 HG21 THR 4 3HG2 THR 4 -0.290 1.073 3.517 34 HG22 THR 4 1HG2 THR 4 -0.201 0.370 5.133 35 HG23 THR 4 2HG2 THR 4 -1.730 0.372 4.255 36 H VAL 5 H VAL 5 -2.279 0.149 0.488 37 HA VAL 5 HA VAL 5 0.077 1.470 -0.681 38 HB VAL 5 HB VAL 5 -1.445 2.131 -2.535 39 HG11 VAL 5 1HG1 VAL 5 -0.123 0.083 -2.708 40 HG12 VAL 5 2HG1 VAL 5 -1.675 -0.100 -3.522 41 HG13 VAL 5 3HG1 VAL 5 -1.419 -0.832 -1.938 42 HG21 VAL 5 3HG2 VAL 5 -3.563 2.186 -1.314 43 HG22 VAL 5 1HG2 VAL 5 -3.488 0.439 -1.077 44 HG23 VAL 5 2HG2 VAL 5 -3.675 1.102 -2.701 45 H ASN 6 H ASN 6 0.535 3.531 -0.213 46 HA ASN 6 HA ASN 6 0.426 5.615 0.692 47 HB2 ASN 6 2HB ASN 6 -2.355 5.446 -0.491 48 HB3 ASN 6 1HB ASN 6 -1.686 6.922 0.200 49 HD21 ASN 6 1HD2 ASN 6 -1.638 4.747 -2.471 50 HD22 ASN 6 2HD2 ASN 6 -0.598 5.685 -3.481 51 H GLY 7 H GLY 7 0.141 3.658 2.555 52 HA2 GLY 7 2HA GLY 7 -0.419 3.367 4.764 53 HA3 GLY 7 1HA GLY 7 -1.056 5.000 4.747 54 H LYS 8 H LYS 8 -2.498 2.992 2.409 55 HA LYS 8 HA LYS 8 -4.756 2.348 4.203 56 HB2 LYS 8 2HB LYS 8 -4.914 3.356 1.348 57 HB3 LYS 8 1HB LYS 8 -6.289 2.853 2.324 58 HG2 LYS 8 2HG LYS 8 -5.906 4.679 3.876 59 HG3 LYS 8 1HG LYS 8 -4.450 5.151 2.999 60 HD2 LYS 8 2HD LYS 8 -5.819 5.654 1.015 61 HD3 LYS 8 1HD LYS 8 -7.271 5.192 1.907 62 HE2 LYS 8 2HE LYS 8 -6.990 7.624 1.872 63 HE3 LYS 8 1HE LYS 8 -6.876 6.990 3.513 64 HZ1 LYS 8 3HZ LYS 8 -5.171 8.632 3.117 65 HZ2 LYS 8 1HZ LYS 8 -4.594 7.777 1.776 66 HZ3 LYS 8 2HZ LYS 8 -4.451 7.118 3.327 67 HA PRO 9 HA PRO 9 -3.858 -1.710 2.569 68 HB2 PRO 9 2HB PRO 9 -5.647 -3.124 3.994 69 HB3 PRO 9 1HB PRO 9 -4.236 -2.376 4.750 70 HG2 PRO 9 2HG PRO 9 -7.075 -1.410 4.673 71 HG3 PRO 9 1HG PRO 9 -5.939 -1.436 6.036 72 HD2 PRO 9 2HD PRO 9 -6.444 0.798 4.523 73 HD3 PRO 9 1HD PRO 9 -4.917 0.516 5.381 74 H SER 10 H SER 10 -4.523 -2.942 0.897 75 HA SER 10 HA SER 10 -7.375 -3.034 0.177 76 HB2 SER 10 2HB SER 10 -6.326 -1.373 -1.327 77 HB3 SER 10 1HB SER 10 -5.133 -2.573 -1.823 78 HG SER 10 HG SER 10 -6.591 -2.907 -3.341 79 H THR 11 H THR 11 -8.060 -5.078 -0.110 80 HA THR 11 HA THR 11 -6.103 -7.238 -0.036 81 HB THR 11 HB THR 11 -9.126 -7.449 -0.032 82 HG1 THR 11 HG1 THR 11 -7.375 -7.583 2.216 83 HG21 THR 11 3HG2 THR 11 -7.986 -9.539 -0.643 84 HG22 THR 11 1HG2 THR 11 -8.738 -9.663 0.947 85 HG23 THR 11 2HG2 THR 11 -6.996 -9.426 0.813 86 H VAL 12 H VAL 12 -5.188 -7.330 -2.081 87 HA VAL 12 HA VAL 12 -6.966 -7.721 -4.375 88 HB VAL 12 HB VAL 12 -4.845 -7.682 -5.733 89 HG11 VAL 12 1HG1 VAL 12 -6.233 -5.693 -5.490 90 HG12 VAL 12 2HG1 VAL 12 -4.528 -5.248 -5.515 91 HG13 VAL 12 3HG1 VAL 12 -5.407 -5.276 -3.988 92 HG21 VAL 12 3HG2 VAL 12 -3.261 -8.360 -3.981 93 HG22 VAL 12 1HG2 VAL 12 -3.575 -6.859 -3.110 94 HG23 VAL 12 2HG2 VAL 12 -2.799 -6.815 -4.695 95 H ASP 13 H ASP 13 -7.782 -9.776 -4.220 96 HA ASP 13 HA ASP 13 -6.143 -12.025 -3.509 97 HB2 ASP 13 2HB ASP 13 -8.572 -11.911 -2.985 98 HB3 ASP 13 1HB ASP 13 -8.926 -12.025 -4.706 99 H GLY 14 H GLY 14 -5.921 -13.969 -4.914 100 HA2 GLY 14 2HA GLY 14 -5.492 -14.961 -7.014 101 HA3 GLY 14 1HA GLY 14 -5.734 -13.401 -7.789 102 H ALA 15 H ALA 15 -4.037 -11.730 -6.649 103 HA ALA 15 HA ALA 15 -1.414 -12.593 -7.414 104 HB1 ALA 15 3HB ALA 15 -0.689 -10.369 -6.718 105 HB2 ALA 15 1HB ALA 15 -2.243 -10.091 -5.931 106 HB3 ALA 15 2HB ALA 15 -2.161 -10.261 -7.685 107 H GLU 16 H GLU 16 0.024 -13.666 -6.193 108 HA GLU 16 HA GLU 16 -0.372 -13.751 -3.262 109 HB2 GLU 16 2HB GLU 16 1.037 -15.773 -5.018 110 HB3 GLU 16 1HB GLU 16 0.670 -15.946 -3.306 111 HG2 GLU 16 2HG GLU 16 -1.738 -15.928 -3.842 112 HG3 GLU 16 1HG GLU 16 -1.340 -15.807 -5.556 113 H SER 17 H SER 17 2.156 -13.777 -5.769 114 HA SER 17 HA SER 17 3.849 -12.050 -4.193 115 HB2 SER 17 2HB SER 17 5.809 -13.608 -4.212 116 HB3 SER 17 1HB SER 17 4.488 -14.168 -3.186 117 HG SER 17 HG SER 17 4.503 -15.031 -5.844 118 H LEU 18 H LEU 18 4.266 -10.586 -5.725 119 HA LEU 18 HA LEU 18 5.326 -11.488 -8.324 120 HB2 LEU 18 2HB LEU 18 3.120 -9.463 -7.898 121 HB3 LEU 18 1HB LEU 18 3.980 -9.658 -9.414 122 HG LEU 18 HG LEU 18 2.299 -11.803 -8.093 123 HD11 LEU 18 1HD1 LEU 18 0.922 -9.946 -8.888 124 HD12 LEU 18 2HD1 LEU 18 0.691 -11.378 -9.890 125 HD13 LEU 18 3HD1 LEU 18 1.688 -10.045 -10.475 126 HD21 LEU 18 3HD2 LEU 18 4.102 -12.730 -9.441 127 HD22 LEU 18 1HD2 LEU 18 3.636 -11.708 -10.801 128 HD23 LEU 18 2HD2 LEU 18 2.549 -12.978 -10.235 129 H ASN 19 H ASN 19 6.754 -10.006 -9.352 130 HA ASN 19 HA ASN 19 8.050 -8.098 -7.641 131 HB2 ASN 19 2HB ASN 19 9.437 -7.587 -9.644 132 HB3 ASN 19 1HB ASN 19 9.380 -9.307 -9.273 133 HD21 ASN 19 1HD2 ASN 19 10.009 -8.034 -11.788 134 HD22 ASN 19 2HD2 ASN 19 8.864 -8.636 -12.929 135 H VAL 20 H VAL 20 8.293 -5.782 -8.180 136 HA VAL 20 HA VAL 20 5.847 -4.499 -8.182 137 HB VAL 20 HB VAL 20 8.467 -3.278 -9.078 138 HG11 VAL 20 1HG1 VAL 20 7.475 -1.143 -8.328 139 HG12 VAL 20 2HG1 VAL 20 5.947 -1.975 -8.036 140 HG13 VAL 20 3HG1 VAL 20 6.588 -1.861 -9.673 141 HG21 VAL 20 3HG2 VAL 20 8.675 -4.329 -6.888 142 HG22 VAL 20 1HG2 VAL 20 7.246 -3.466 -6.317 143 HG23 VAL 20 2HG2 VAL 20 8.709 -2.574 -6.735 144 H THR 21 H THR 21 7.937 -5.151 -10.988 145 HA THR 21 HA THR 21 6.582 -3.768 -12.973 146 HB THR 21 HB THR 21 7.812 -6.528 -13.248 147 HG1 THR 21 HG1 THR 21 9.475 -4.802 -14.194 148 HG21 THR 21 3HG2 THR 21 6.422 -5.956 -15.180 149 HG22 THR 21 1HG2 THR 21 8.130 -5.890 -15.617 150 HG23 THR 21 2HG2 THR 21 7.236 -4.398 -15.324 151 H GLU 22 H GLU 22 5.911 -7.134 -11.892 152 HA GLU 22 HA GLU 22 3.575 -7.371 -13.522 153 HB2 GLU 22 2HB GLU 22 4.629 -9.009 -11.224 154 HB3 GLU 22 1HB GLU 22 3.104 -9.385 -12.014 155 HG2 GLU 22 2HG GLU 22 5.822 -9.321 -13.316 156 HG3 GLU 22 1HG GLU 22 4.891 -10.758 -12.900 157 H LEU 23 H LEU 23 4.137 -6.262 -10.239 158 HA LEU 23 HA LEU 23 1.476 -6.206 -9.323 159 HB2 LEU 23 2HB LEU 23 3.583 -5.783 -7.982 160 HB3 LEU 23 1HB LEU 23 3.635 -4.180 -8.683 161 HG LEU 23 HG LEU 23 1.241 -5.114 -7.106 162 HD11 LEU 23 1HD1 LEU 23 3.178 -5.440 -5.674 163 HD12 LEU 23 2HD1 LEU 23 2.228 -4.061 -5.125 164 HD13 LEU 23 3HD1 LEU 23 3.729 -3.799 -6.013 165 HD21 LEU 23 3HD2 LEU 23 0.918 -3.093 -8.417 166 HD22 LEU 23 1HD2 LEU 23 2.370 -2.375 -7.720 167 HD23 LEU 23 2HD2 LEU 23 0.964 -2.693 -6.702 168 H LEU 24 H LEU 24 3.375 -3.763 -11.093 169 HA LEU 24 HA LEU 24 1.280 -1.917 -11.536 170 HB2 LEU 24 2HB LEU 24 3.664 -2.502 -13.313 171 HB3 LEU 24 1HB LEU 24 2.689 -1.044 -13.345 172 HG LEU 24 HG LEU 24 4.465 -1.924 -11.057 173 HD11 LEU 24 1HD1 LEU 24 5.737 -1.179 -13.003 174 HD12 LEU 24 2HD1 LEU 24 5.862 -0.022 -11.678 175 HD13 LEU 24 3HD1 LEU 24 4.805 0.318 -13.049 176 HD21 LEU 24 3HD2 LEU 24 3.972 0.273 -10.093 177 HD22 LEU 24 1HD2 LEU 24 2.515 -0.706 -10.254 178 HD23 LEU 24 2HD2 LEU 24 2.835 0.593 -11.404 179 H SER 25 H SER 25 2.421 -4.712 -13.367 180 HA SER 25 HA SER 25 0.737 -4.527 -15.600 181 HB2 SER 25 2HB SER 25 2.667 -6.047 -15.496 182 HB3 SER 25 1HB SER 25 1.842 -7.025 -14.286 183 HG SER 25 HG SER 25 1.688 -7.825 -16.481 184 H ALA 26 H ALA 26 0.067 -5.705 -12.363 185 HA ALA 26 HA ALA 26 -2.320 -7.104 -12.834 186 HB1 ALA 26 3HB ALA 26 -1.140 -7.130 -10.684 187 HB2 ALA 26 1HB ALA 26 -2.838 -6.698 -10.482 188 HB3 ALA 26 2HB ALA 26 -1.595 -5.448 -10.411 189 H LEU 27 H LEU 27 -1.790 -3.636 -12.229 190 HA LEU 27 HA LEU 27 -4.581 -3.009 -12.820 191 HB2 LEU 27 2HB LEU 27 -2.213 -1.227 -12.190 192 HB3 LEU 27 1HB LEU 27 -3.832 -0.634 -12.502 193 HG LEU 27 HG LEU 27 -4.609 -1.973 -10.505 194 HD11 LEU 27 1HD1 LEU 27 -2.946 -2.653 -8.858 195 HD12 LEU 27 2HD1 LEU 27 -1.646 -2.213 -9.967 196 HD13 LEU 27 3HD1 LEU 27 -2.736 -3.541 -10.368 197 HD21 LEU 27 3HD2 LEU 27 -4.263 0.442 -10.413 198 HD22 LEU 27 1HD2 LEU 27 -2.562 0.195 -10.012 199 HD23 LEU 27 2HD2 LEU 27 -3.819 -0.319 -8.887 200 H LYS 28 H LYS 28 -2.032 -3.831 -14.623 201 HA LYS 28 HA LYS 28 -1.261 -3.546 -16.720 202 HB2 LYS 28 2HB LYS 28 -3.687 -4.087 -17.180 203 HB3 LYS 28 1HB LYS 28 -3.972 -2.361 -17.359 204 HG2 LYS 28 2HG LYS 28 -2.469 -2.252 -19.245 205 HG3 LYS 28 1HG LYS 28 -2.002 -3.937 -19.013 206 HD2 LYS 28 2HD LYS 28 -3.577 -3.779 -20.841 207 HD3 LYS 28 1HD LYS 28 -4.333 -4.620 -19.486 208 HE2 LYS 28 2HE LYS 28 -5.496 -2.557 -18.852 209 HE3 LYS 28 1HE LYS 28 -4.720 -1.704 -20.187 210 HZ1 LYS 28 3HZ LYS 28 -6.595 -3.988 -20.436 211 HZ2 LYS 28 1HZ LYS 28 -5.829 -3.214 -21.728 212 HZ3 LYS 28 2HZ LYS 28 -6.949 -2.374 -20.780 213 H VAL 29 H VAL 29 -0.369 -1.625 -15.071 214 HA VAL 29 HA VAL 29 -0.666 0.987 -16.274 215 HB VAL 29 HB VAL 29 1.363 0.054 -14.222 216 HG11 VAL 29 1HG1 VAL 29 0.532 2.848 -15.033 217 HG12 VAL 29 2HG1 VAL 29 2.084 2.078 -15.367 218 HG13 VAL 29 3HG1 VAL 29 1.624 2.445 -13.705 219 HG21 VAL 29 3HG2 VAL 29 -0.107 1.062 -12.549 220 HG22 VAL 29 1HG2 VAL 29 -0.939 -0.222 -13.425 221 HG23 VAL 29 2HG2 VAL 29 -1.279 1.467 -13.804 222 H ALA 30 H ALA 30 -0.055 0.644 -18.415 223 HA ALA 30 HA ALA 30 2.191 -0.626 -19.407 224 HB1 ALA 30 3HB ALA 30 1.910 0.745 -21.414 225 HB2 ALA 30 1HB ALA 30 0.849 1.838 -20.522 226 HB3 ALA 30 2HB ALA 30 0.357 0.168 -20.808 227 H GLN 31 H GLN 31 1.997 2.469 -17.851 228 HA GLN 31 HA GLN 31 4.541 3.422 -18.854 229 HB2 GLN 31 2HB GLN 31 2.737 4.572 -16.713 230 HB3 GLN 31 1HB GLN 31 4.074 5.401 -17.502 231 HG2 GLN 31 2HG GLN 31 1.512 4.478 -18.806 232 HG3 GLN 31 1HG GLN 31 1.952 6.138 -18.415 233 HE21 GLN 31 1HE2 GLN 31 3.548 7.166 -19.647 234 HE22 GLN 31 2HE2 GLN 31 4.003 6.588 -21.211 235 H ALA 32 H ALA 32 4.987 1.016 -17.579 236 HA ALA 32 HA ALA 32 5.589 1.066 -14.851 237 HB1 ALA 32 3HB ALA 32 6.966 -0.897 -15.273 238 HB2 ALA 32 1HB ALA 32 6.974 -0.540 -17.001 239 HB3 ALA 32 2HB ALA 32 5.467 -0.982 -16.199 240 H GLU 33 H GLU 33 7.572 2.074 -17.606 241 HA GLU 33 HA GLU 33 9.960 2.501 -16.053 242 HB2 GLU 33 2HB GLU 33 9.899 1.947 -18.508 243 HB3 GLU 33 1HB GLU 33 9.288 3.565 -18.809 244 HG2 GLU 33 2HG GLU 33 11.596 3.627 -19.270 245 HG3 GLU 33 1HG GLU 33 11.383 4.446 -17.724 246 H TYR 34 H TYR 34 7.102 4.191 -16.248 247 HA TYR 34 HA TYR 34 8.333 6.853 -15.931 248 HB2 TYR 34 2HB TYR 34 5.430 6.140 -16.437 249 HB3 TYR 34 1HB TYR 34 6.115 7.760 -16.423 250 HD1 TYR 34 HD1 TYR 34 6.575 4.480 -18.179 251 HD2 TYR 34 HD2 TYR 34 6.647 8.728 -18.478 252 HE1 TYR 34 HE1 TYR 34 6.971 4.298 -20.595 253 HE2 TYR 34 HE2 TYR 34 7.044 8.549 -20.897 254 HH TYR 34 HH TYR 34 8.028 6.836 -22.481 255 H VAL 35 H VAL 35 5.816 4.775 -14.499 256 HA VAL 35 HA VAL 35 5.276 6.530 -12.323 257 HB VAL 35 HB VAL 35 3.567 5.003 -13.130 258 HG11 VAL 35 1HG1 VAL 35 5.323 2.774 -12.094 259 HG12 VAL 35 2HG1 VAL 35 4.968 3.119 -13.787 260 HG13 VAL 35 3HG1 VAL 35 3.679 2.588 -12.707 261 HG21 VAL 35 3HG2 VAL 35 2.759 4.141 -10.988 262 HG22 VAL 35 1HG2 VAL 35 3.440 5.756 -10.798 263 HG23 VAL 35 2HG2 VAL 35 4.366 4.343 -10.288 264 H THR 36 H THR 36 6.055 6.594 -10.284 265 HA THR 36 HA THR 36 8.148 4.653 -9.522 266 HB THR 36 HB THR 36 7.745 7.459 -8.439 267 HG1 THR 36 HG1 THR 36 9.712 7.872 -9.640 268 HG21 THR 36 3HG2 THR 36 8.802 5.929 -6.828 269 HG22 THR 36 1HG2 THR 36 9.949 7.138 -7.407 270 HG23 THR 36 2HG2 THR 36 10.011 5.492 -8.035 271 H VAL 37 H VAL 37 7.983 3.557 -7.596 272 HA VAL 37 HA VAL 37 5.825 4.297 -5.724 273 HB VAL 37 HB VAL 37 5.261 1.952 -5.335 274 HG11 VAL 37 1HG1 VAL 37 4.136 1.443 -7.447 275 HG12 VAL 37 2HG1 VAL 37 5.135 2.638 -8.275 276 HG13 VAL 37 3HG1 VAL 37 3.988 3.153 -7.038 277 HG21 VAL 37 3HG2 VAL 37 7.255 1.324 -7.522 278 HG22 VAL 37 1HG2 VAL 37 6.148 0.164 -6.786 279 HG23 VAL 37 2HG2 VAL 37 7.409 0.917 -5.812 280 H GLU 38 H GLU 38 6.241 3.768 -3.503 281 HA GLU 38 HA GLU 38 9.024 2.940 -2.972 282 HB2 GLU 38 2HB GLU 38 8.979 4.322 -0.928 283 HB3 GLU 38 1HB GLU 38 8.802 5.261 -2.399 284 HG2 GLU 38 2HG GLU 38 6.364 5.376 -1.980 285 HG3 GLU 38 1HG GLU 38 6.625 4.536 -0.452 286 H LEU 39 H LEU 39 9.354 1.225 -1.779 287 HA LEU 39 HA LEU 39 7.047 -0.227 -0.713 288 HB2 LEU 39 2HB LEU 39 8.767 -1.182 -2.346 289 HB3 LEU 39 1HB LEU 39 9.899 -1.188 -1.014 290 HG LEU 39 HG LEU 39 8.821 -3.398 -1.549 291 HD11 LEU 39 1HD1 LEU 39 8.362 -2.366 1.243 292 HD12 LEU 39 2HD1 LEU 39 9.887 -2.983 0.607 293 HD13 LEU 39 3HD1 LEU 39 8.497 -4.057 0.759 294 HD21 LEU 39 3HD2 LEU 39 6.576 -2.621 -2.049 295 HD22 LEU 39 1HD2 LEU 39 6.372 -2.075 -0.384 296 HD23 LEU 39 2HD2 LEU 39 6.545 -3.795 -0.734 297 H ASN 40 H ASN 40 6.624 -0.237 1.422 298 HA ASN 40 HA ASN 40 6.747 0.211 3.650 299 HB2 ASN 40 2HB ASN 40 9.587 -0.788 3.285 300 HB3 ASN 40 1HB ASN 40 8.798 -0.558 4.840 301 HD21 ASN 40 1HD2 ASN 40 6.203 -1.525 3.860 302 HD22 ASN 40 2HD2 ASN 40 6.374 -3.234 3.682 303 H GLY 41 H GLY 41 7.450 2.388 1.760 304 HA2 GLY 41 2HA GLY 41 7.876 4.655 2.147 305 HA3 GLY 41 1HA GLY 41 8.581 4.239 3.699 306 H GLU 42 H GLU 42 9.809 2.361 1.159 307 HA GLU 42 HA GLU 42 12.224 4.058 0.958 308 HB2 GLU 42 2HB GLU 42 12.766 1.978 2.027 309 HB3 GLU 42 1HB GLU 42 11.871 1.055 0.829 310 HG2 GLU 42 2HG GLU 42 13.515 1.678 -0.880 311 HG3 GLU 42 1HG GLU 42 14.410 2.600 0.327 312 H VAL 43 H VAL 43 12.702 4.880 -1.023 313 HA VAL 43 HA VAL 43 10.896 4.324 -3.202 314 HB VAL 43 HB VAL 43 11.620 6.616 -2.796 315 HG11 VAL 43 1HG1 VAL 43 13.867 6.227 -1.958 316 HG12 VAL 43 2HG1 VAL 43 13.906 7.354 -3.315 317 HG13 VAL 43 3HG1 VAL 43 14.386 5.673 -3.552 318 HG21 VAL 43 3HG2 VAL 43 12.594 5.547 -5.448 319 HG22 VAL 43 1HG2 VAL 43 12.222 7.237 -5.099 320 HG23 VAL 43 2HG2 VAL 43 10.942 6.024 -5.055 321 H LEU 44 H LEU 44 11.180 2.973 -4.869 322 HA LEU 44 HA LEU 44 13.802 1.685 -5.214 323 HB2 LEU 44 2HB LEU 44 11.048 0.911 -6.187 324 HB3 LEU 44 1HB LEU 44 12.508 0.096 -6.709 325 HG LEU 44 HG LEU 44 11.497 -1.241 -5.013 326 HD11 LEU 44 1HD1 LEU 44 13.936 -1.108 -4.928 327 HD12 LEU 44 2HD1 LEU 44 13.246 -1.361 -3.327 328 HD13 LEU 44 3HD1 LEU 44 13.828 0.237 -3.790 329 HD21 LEU 44 3HD2 LEU 44 10.081 0.454 -3.976 330 HD22 LEU 44 1HD2 LEU 44 11.497 1.201 -3.238 331 HD23 LEU 44 2HD2 LEU 44 11.009 -0.426 -2.761 332 H GLU 45 H GLU 45 14.976 1.838 -7.069 333 HA GLU 45 HA GLU 45 14.418 3.873 -8.977 334 HB2 GLU 45 2HB GLU 45 16.425 1.607 -8.954 335 HB3 GLU 45 1HB GLU 45 16.340 2.787 -10.252 336 HG2 GLU 45 2HG GLU 45 18.096 3.390 -8.725 337 HG3 GLU 45 1HG GLU 45 16.803 4.582 -8.636 338 H ARG 46 H ARG 46 14.217 3.505 -11.336 339 HA ARG 46 HA ARG 46 11.932 2.056 -11.982 340 HB2 ARG 46 2HB ARG 46 14.150 2.973 -13.829 341 HB3 ARG 46 1HB ARG 46 12.542 2.480 -14.346 342 HG2 ARG 46 2HG ARG 46 11.547 4.356 -13.172 343 HG3 ARG 46 1HG ARG 46 13.121 4.817 -12.522 344 HD2 ARG 46 2HD ARG 46 13.937 5.212 -14.807 345 HD3 ARG 46 1HD ARG 46 12.354 4.771 -15.443 346 HE ARG 46 HE ARG 46 11.647 6.765 -13.884 347 HH11 ARG 46 1HH1 ARG 46 14.442 6.524 -15.888 348 HH12 ARG 46 2HH1 ARG 46 14.480 8.217 -16.238 349 HH21 ARG 46 1HH2 ARG 46 11.706 8.949 -14.324 350 HH22 ARG 46 2HH2 ARG 46 12.938 9.574 -15.363 351 H GLU 47 H GLU 47 15.320 1.102 -12.264 352 HA GLU 47 HA GLU 47 14.889 -1.391 -13.562 353 HB2 GLU 47 2HB GLU 47 17.147 -0.511 -11.743 354 HB3 GLU 47 1HB GLU 47 17.172 -1.943 -12.761 355 HG2 GLU 47 2HG GLU 47 17.140 -0.610 -14.752 356 HG3 GLU 47 1HG GLU 47 16.877 0.861 -13.815 357 H ALA 48 H ALA 48 14.985 -0.416 -10.171 358 HA ALA 48 HA ALA 48 15.159 -2.985 -9.017 359 HB1 ALA 48 3HB ALA 48 14.544 -1.893 -6.925 360 HB2 ALA 48 1HB ALA 48 14.042 -0.453 -7.814 361 HB3 ALA 48 2HB ALA 48 15.737 -0.941 -7.808 362 H PHE 49 H PHE 49 12.480 -1.377 -10.467 363 HA PHE 49 HA PHE 49 10.349 -2.553 -9.044 364 HB2 PHE 49 2HB PHE 49 10.469 -1.678 -11.938 365 HB3 PHE 49 1HB PHE 49 8.989 -2.089 -11.081 366 HD1 PHE 49 HD2 PHE 49 10.005 -0.732 -8.422 367 HD2 PHE 49 HD1 PHE 49 9.688 0.545 -12.476 368 HE1 PHE 49 HE2 PHE 49 9.801 1.601 -7.670 369 HE2 PHE 49 HE1 PHE 49 9.484 2.879 -11.724 370 HZ PHE 49 HZ PHE 49 9.538 3.410 -9.325 371 H ASP 50 H ASP 50 12.353 -3.778 -11.649 372 HA ASP 50 HA ASP 50 10.696 -6.041 -12.239 373 HB2 ASP 50 2HB ASP 50 12.282 -4.951 -13.853 374 HB3 ASP 50 1HB ASP 50 13.617 -5.622 -12.921 375 H ALA 51 H ALA 51 13.390 -5.430 -10.075 376 HA ALA 51 HA ALA 51 13.833 -8.241 -9.499 377 HB1 ALA 51 3HB ALA 51 15.605 -7.460 -8.024 378 HB2 ALA 51 1HB ALA 51 15.059 -5.793 -8.224 379 HB3 ALA 51 2HB ALA 51 15.718 -6.677 -9.600 380 H THR 52 H THR 52 12.691 -5.403 -7.653 381 HA THR 52 HA THR 52 12.339 -6.641 -5.175 382 HB THR 52 HB THR 52 10.704 -4.341 -6.283 383 HG1 THR 52 HG1 THR 52 12.627 -3.428 -6.273 384 HG21 THR 52 3HG2 THR 52 11.306 -5.132 -3.423 385 HG22 THR 52 1HG2 THR 52 9.747 -5.303 -4.231 386 HG23 THR 52 2HG2 THR 52 10.414 -3.697 -3.930 387 H THR 53 H THR 53 11.077 -8.333 -4.676 388 HA THR 53 HA THR 53 8.508 -8.711 -6.057 389 HB THR 53 HB THR 53 8.477 -10.968 -5.035 390 HG1 THR 53 HG1 THR 53 10.116 -11.669 -3.753 391 HG21 THR 53 3HG2 THR 53 9.489 -10.647 -7.255 392 HG22 THR 53 1HG2 THR 53 10.292 -11.937 -6.357 393 HG23 THR 53 2HG2 THR 53 11.054 -10.353 -6.496 394 H VAL 54 H VAL 54 6.704 -8.045 -5.123 395 HA VAL 54 HA VAL 54 6.654 -7.433 -2.254 396 HB VAL 54 HB VAL 54 4.603 -6.758 -4.382 397 HG11 VAL 54 1HG1 VAL 54 3.796 -5.097 -2.758 398 HG12 VAL 54 2HG1 VAL 54 4.977 -5.677 -1.583 399 HG13 VAL 54 3HG1 VAL 54 3.676 -6.739 -2.122 400 HG21 VAL 54 3HG2 VAL 54 6.754 -5.707 -4.896 401 HG22 VAL 54 1HG2 VAL 54 6.827 -5.038 -3.266 402 HG23 VAL 54 2HG2 VAL 54 5.570 -4.505 -4.384 403 H LYS 55 H LYS 55 5.193 -8.365 -0.822 404 HA LYS 55 HA LYS 55 3.540 -10.594 -1.838 405 HB2 LYS 55 2HB LYS 55 5.381 -10.695 0.561 406 HB3 LYS 55 1HB LYS 55 4.245 -11.957 0.109 407 HG2 LYS 55 2HG LYS 55 5.463 -12.241 -2.025 408 HG3 LYS 55 1HG LYS 55 6.643 -11.045 -1.480 409 HD2 LYS 55 2HD LYS 55 7.210 -12.464 0.430 410 HD3 LYS 55 1HD LYS 55 5.999 -13.644 -0.073 411 HE2 LYS 55 2HE LYS 55 7.245 -13.936 -2.202 412 HE3 LYS 55 1HE LYS 55 8.496 -12.861 -1.579 413 HZ1 LYS 55 3HZ LYS 55 8.880 -14.414 0.231 414 HZ2 LYS 55 1HZ LYS 55 9.072 -15.186 -1.264 415 HZ3 LYS 55 2HZ LYS 55 7.670 -15.440 -0.361 416 H ASP 56 H ASP 56 2.435 -11.564 0.398 417 HA ASP 56 HA ASP 56 0.363 -9.756 0.980 418 HB2 ASP 56 2HB ASP 56 0.070 -12.184 1.006 419 HB3 ASP 56 1HB ASP 56 1.146 -12.319 2.391 420 H GLY 57 H GLY 57 0.041 -8.315 2.562 421 HA2 GLY 57 2HA GLY 57 0.271 -7.161 4.548 422 HA3 GLY 57 1HA GLY 57 1.407 -8.384 5.091 423 H ASP 58 H ASP 58 1.744 -6.492 2.112 424 HA ASP 58 HA ASP 58 4.119 -5.206 3.326 425 HB2 ASP 58 2HB ASP 58 4.416 -7.052 1.494 426 HB3 ASP 58 1HB ASP 58 3.935 -5.779 0.378 427 H ALA 59 H ALA 59 4.638 -3.068 2.586 428 HA ALA 59 HA ALA 59 2.216 -1.593 1.777 429 HB1 ALA 59 3HB ALA 59 4.616 -0.575 3.297 430 HB2 ALA 59 1HB ALA 59 3.067 -1.041 3.999 431 HB3 ALA 59 2HB ALA 59 3.160 0.343 2.909 432 H VAL 60 H VAL 60 2.633 -1.975 -0.487 433 HA VAL 60 HA VAL 60 4.863 -0.522 -1.670 434 HB VAL 60 HB VAL 60 4.293 -2.582 -2.769 435 HG11 VAL 60 1HG1 VAL 60 1.981 -2.823 -2.065 436 HG12 VAL 60 2HG1 VAL 60 2.106 -2.986 -3.816 437 HG13 VAL 60 3HG1 VAL 60 1.499 -1.488 -3.111 438 HG21 VAL 60 3HG2 VAL 60 3.913 -1.832 -5.067 439 HG22 VAL 60 1HG2 VAL 60 5.034 -0.759 -4.229 440 HG23 VAL 60 2HG2 VAL 60 3.358 -0.265 -4.477 441 H GLU 61 H GLU 61 4.499 1.645 -1.171 442 HA GLU 61 HA GLU 61 1.918 2.834 -1.461 443 HB2 GLU 61 2HB GLU 61 3.679 3.670 0.117 444 HB3 GLU 61 1HB GLU 61 4.560 4.292 -1.275 445 HG2 GLU 61 2HG GLU 61 2.787 5.808 -1.809 446 HG3 GLU 61 1HG GLU 61 1.729 5.082 -0.605 447 H PHE 62 H PHE 62 1.188 2.501 -3.498 448 HA PHE 62 HA PHE 62 2.631 3.189 -5.856 449 HB2 PHE 62 2HB PHE 62 0.836 1.486 -5.812 450 HB3 PHE 62 1HB PHE 62 -0.344 2.745 -5.468 451 HD1 PHE 62 HD2 PHE 62 1.941 1.381 -8.015 452 HD2 PHE 62 HD1 PHE 62 -1.183 4.163 -7.213 453 HE1 PHE 62 HE2 PHE 62 1.645 1.742 -10.427 454 HE2 PHE 62 HE1 PHE 62 -1.482 4.525 -9.625 455 HZ PHE 62 HZ PHE 62 -0.068 3.316 -11.238 456 H LEU 63 H LEU 63 3.165 5.257 -6.299 457 HA LEU 63 HA LEU 63 1.610 7.486 -5.390 458 HB2 LEU 63 2HB LEU 63 3.816 7.488 -7.456 459 HB3 LEU 63 1HB LEU 63 3.228 8.866 -6.541 460 HG LEU 63 HG LEU 63 4.746 6.497 -5.459 461 HD11 LEU 63 1HD1 LEU 63 6.480 8.136 -4.941 462 HD12 LEU 63 2HD1 LEU 63 5.506 9.408 -5.677 463 HD13 LEU 63 3HD1 LEU 63 6.133 8.092 -6.670 464 HD21 LEU 63 3HD2 LEU 63 3.090 7.184 -3.823 465 HD22 LEU 63 1HD2 LEU 63 3.597 8.867 -3.977 466 HD23 LEU 63 2HD2 LEU 63 4.697 7.674 -3.286 467 H TYR 64 H TYR 64 0.640 9.111 -6.805 468 HA TYR 64 HA TYR 64 -1.117 7.706 -8.630 469 HB2 TYR 64 2HB TYR 64 -1.217 10.494 -7.461 470 HB3 TYR 64 1HB TYR 64 -2.448 9.830 -8.535 471 HD1 TYR 64 HD1 TYR 64 -0.982 9.653 -5.163 472 HD2 TYR 64 HD2 TYR 64 -3.984 8.102 -7.761 473 HE1 TYR 64 HE1 TYR 64 -2.098 8.600 -3.242 474 HE2 TYR 64 HE2 TYR 64 -5.105 7.051 -5.843 475 HH TYR 64 HH TYR 64 -4.378 7.807 -2.640 476 H PHE 65 H PHE 65 1.410 7.937 -9.745 477 HA PHE 65 HA PHE 65 1.658 9.997 -11.646 478 HB2 PHE 65 2HB PHE 65 2.581 7.128 -11.638 479 HB3 PHE 65 1HB PHE 65 2.898 8.187 -13.006 480 HD1 PHE 65 HD2 PHE 65 3.525 7.727 -9.385 481 HD2 PHE 65 HD1 PHE 65 4.635 9.776 -12.950 482 HE1 PHE 65 HE2 PHE 65 5.533 8.599 -8.262 483 HE2 PHE 65 HE1 PHE 65 6.645 10.647 -11.831 484 HZ PHE 65 HZ PHE 65 7.094 10.059 -9.484 485 H MET 66 H MET 66 -0.802 7.685 -11.428 486 HA MET 66 HA MET 66 -1.406 7.540 -14.250 487 HB2 MET 66 2HB MET 66 -3.115 6.782 -11.868 488 HB3 MET 66 1HB MET 66 -3.471 6.396 -13.546 489 HG2 MET 66 2HG MET 66 -1.347 5.083 -13.616 490 HG3 MET 66 1HG MET 66 -1.187 5.357 -11.881 491 HE1 MET 66 3HE MET 66 -3.105 4.578 -10.119 492 HE2 MET 66 1HE MET 66 -4.480 3.568 -10.570 493 HE3 MET 66 2HE MET 66 -4.398 5.241 -11.118 494 H GLY 67 H GLY 67 -1.874 9.488 -15.146 495 HA2 GLY 67 2HA GLY 67 -3.944 11.169 -13.861 496 HA3 GLY 67 1HA GLY 67 -2.725 11.757 -14.984 497 H GLY 68 H GLY 68 -3.502 8.964 -16.332 498 HA2 GLY 68 2HA GLY 68 -5.059 10.048 -18.420 499 HA3 GLY 68 1HA GLY 68 -4.742 8.342 -18.151 500 H GLY 69 H GLY 69 -7.217 9.915 -18.933 501 HA2 GLY 69 2HA GLY 69 -9.064 9.741 -16.759 502 HA3 GLY 69 1HA GLY 69 -9.472 9.973 -18.450 503 H LYS 70 H LYS 70 -8.381 7.618 -19.516 504 HA LYS 70 HA LYS 70 -8.908 5.472 -20.000 505 HB2 LYS 70 2HB LYS 70 -8.079 4.995 -17.721 506 HB3 LYS 70 1HB LYS 70 -9.699 5.248 -17.086 507 HG2 LYS 70 2HG LYS 70 -10.533 3.319 -18.224 508 HG3 LYS 70 1HG LYS 70 -9.033 3.136 -19.132 509 HD2 LYS 70 2HD LYS 70 -9.273 2.886 -16.127 510 HD3 LYS 70 1HD LYS 70 -9.244 1.527 -17.250 511 HE2 LYS 70 2HE LYS 70 -7.005 2.240 -18.016 512 HE3 LYS 70 1HE LYS 70 -7.035 3.551 -16.836 513 HZ1 LYS 70 3HZ LYS 70 -5.803 1.584 -16.072 514 HZ2 LYS 70 1HZ LYS 70 -7.222 0.669 -16.153 515 HZ3 LYS 70 2HZ LYS 70 -7.108 1.957 -15.065 516 H LEU 71 H LEU 71 -10.561 4.907 -21.234 517 HA LEU 71 HA LEU 71 -12.802 6.429 -21.497 518 HB2 LEU 71 2HB LEU 71 -13.614 4.878 -23.103 519 HB3 LEU 71 1HB LEU 71 -11.866 4.908 -23.212 520 HG LEU 71 HG LEU 71 -13.452 2.752 -21.790 521 HD11 LEU 71 1HD1 LEU 71 -12.889 1.331 -23.708 522 HD12 LEU 71 2HD1 LEU 71 -12.177 2.722 -24.528 523 HD13 LEU 71 3HD1 LEU 71 -13.905 2.694 -24.176 524 HD21 LEU 71 3HD2 LEU 71 -10.522 2.920 -22.518 525 HD22 LEU 71 1HD2 LEU 71 -11.328 1.503 -21.839 526 HD23 LEU 71 2HD2 LEU 71 -11.208 2.987 -20.893 527 H GLU 72 H GLU 72 -12.513 3.806 -19.297 528 HA GLU 72 HA GLU 72 -15.381 3.410 -19.052 529 HB2 GLU 72 2HB GLU 72 -13.912 1.468 -18.883 530 HB3 GLU 72 1HB GLU 72 -13.104 2.178 -17.490 531 HG2 GLU 72 2HG GLU 72 -15.220 2.083 -16.232 532 HG3 GLU 72 1HG GLU 72 -16.000 1.340 -17.628 533 H HIS 73 H HIS 73 -12.763 4.689 -16.994 534 HA HIS 73 HA HIS 73 -12.756 6.054 -15.181 535 HB2 HIS 73 2HB HIS 73 -15.532 6.790 -16.144 536 HB3 HIS 73 1HB HIS 73 -14.653 7.644 -14.880 537 HD1 HIS 73 HD1 HIS 73 -12.526 9.004 -15.637 538 HD2 HIS 73 HD2 HIS 73 -14.811 7.449 -18.740 539 HE1 HIS 73 HE1 HIS 73 -11.779 10.221 -17.694 540 HE2 HIS 73 HE2 HIS 73 -13.052 9.150 -19.574 541 H HIS 74 H HIS 74 -14.419 6.739 -13.197 542 HA HIS 74 HA HIS 74 -15.338 4.152 -12.099 543 HB2 HIS 74 2HB HIS 74 -13.317 5.212 -11.028 544 HB3 HIS 74 1HB HIS 74 -14.350 6.545 -10.531 545 HD1 HIS 74 HD1 HIS 74 -15.106 6.319 -8.187 546 HD2 HIS 74 HD2 HIS 74 -14.519 2.606 -9.959 547 HE1 HIS 74 HE1 HIS 74 -15.592 4.635 -6.395 548 HE2 HIS 74 HE2 HIS 74 -15.421 2.408 -7.543 549 H HIS 75 H HIS 75 -16.837 6.347 -13.612 550 HA HIS 75 HA HIS 75 -18.643 7.637 -11.864 551 HB2 HIS 75 2HB HIS 75 -18.388 8.368 -14.160 552 HB3 HIS 75 1HB HIS 75 -18.938 6.810 -14.759 553 HD1 HIS 75 HD1 HIS 75 -20.281 9.781 -12.814 554 HD2 HIS 75 HD2 HIS 75 -21.621 6.668 -15.219 555 HE1 HIS 75 HE1 HIS 75 -22.719 10.227 -13.196 556 HE2 HIS 75 HE2 HIS 75 -23.471 8.418 -14.774 557 H HIS 76 H HIS 76 -20.468 6.954 -10.839 558 HA HIS 76 HA HIS 76 -21.465 4.242 -11.433 559 HB2 HIS 76 2HB HIS 76 -21.601 3.833 -8.950 560 HB3 HIS 76 1HB HIS 76 -19.967 3.916 -9.600 561 HD1 HIS 76 HD1 HIS 76 -22.413 5.991 -7.579 562 HD2 HIS 76 HD2 HIS 76 -18.359 5.847 -8.489 563 HE1 HIS 76 HE1 HIS 76 -21.327 7.683 -6.082 564 HE2 HIS 76 HE2 HIS 76 -18.868 7.475 -6.544 565 H HIS 77 H HIS 77 -23.506 3.739 -10.255 566 HA HIS 77 HA HIS 77 -25.201 6.109 -9.763 567 HB2 HIS 77 2HB HIS 77 -25.937 3.532 -11.174 568 HB3 HIS 77 1HB HIS 77 -27.127 4.695 -10.601 569 HD1 HIS 77 HD1 HIS 77 -24.609 4.129 -13.298 570 HD2 HIS 77 HD2 HIS 77 -27.293 7.069 -12.102 571 HE1 HIS 77 HE1 HIS 77 -24.821 5.689 -15.252 572 HE2 HIS 77 HE2 HIS 77 -26.553 7.367 -14.562 573 H HIS 78 H HIS 78 -26.818 5.850 -8.119 574 HA HIS 78 HA HIS 78 -26.037 4.078 -5.987 575 HB2 HIS 78 2HB HIS 78 -28.425 5.930 -6.204 576 HB3 HIS 78 1HB HIS 78 -27.927 5.089 -4.741 577 HD1 HIS 78 HD1 HIS 78 -25.075 5.652 -4.401 578 HD2 HIS 78 HD2 HIS 78 -27.637 8.500 -6.003 579 HE1 HIS 78 HE1 HIS 78 -23.940 7.853 -4.036 580 HE2 HIS 78 HE2 HIS 78 -25.409 9.527 -5.197 Start of MODEL 14 1 H1 MET 1 1H MET 1 -3.346 -10.505 -3.350 2 H2 MET 1 2H MET 1 -4.622 -11.296 -2.576 3 H3 MET 1 3H MET 1 -3.258 -12.167 -3.062 4 HA MET 1 HA MET 1 -3.297 -11.752 -0.663 5 HB2 MET 1 2HB MET 1 -0.988 -10.984 -0.488 6 HB3 MET 1 1HB MET 1 -1.165 -12.081 -1.850 7 HG2 MET 1 2HG MET 1 -1.291 -10.087 -3.349 8 HG3 MET 1 1HG MET 1 -0.918 -9.081 -1.950 9 HE1 MET 1 3HE MET 1 0.783 -9.136 -4.691 10 HE2 MET 1 1HE MET 1 2.429 -9.110 -4.062 11 HE3 MET 1 2HE MET 1 1.194 -8.084 -3.337 12 H ASN 2 H ASN 2 -2.663 -10.110 1.015 13 HA ASN 2 HA ASN 2 -4.214 -7.664 0.643 14 HB2 ASN 2 2HB ASN 2 -2.778 -8.705 3.104 15 HB3 ASN 2 1HB ASN 2 -3.919 -7.364 3.059 16 HD21 ASN 2 1HD2 ASN 2 -4.000 -9.863 4.544 17 HD22 ASN 2 2HD2 ASN 2 -5.486 -10.628 4.105 18 H LEU 3 H LEU 3 -3.352 -5.664 0.368 19 HA LEU 3 HA LEU 3 -0.502 -5.231 0.980 20 HB2 LEU 3 2HB LEU 3 -1.894 -4.487 -1.593 21 HB3 LEU 3 1HB LEU 3 -0.320 -3.878 -1.128 22 HG LEU 3 HG LEU 3 -0.981 -6.789 -1.611 23 HD11 LEU 3 1HD1 LEU 3 0.331 -6.540 -3.661 24 HD12 LEU 3 2HD1 LEU 3 0.515 -4.815 -3.341 25 HD13 LEU 3 3HD1 LEU 3 -1.083 -5.487 -3.671 26 HD21 LEU 3 3HD2 LEU 3 0.820 -6.498 0.009 27 HD22 LEU 3 1HD2 LEU 3 1.660 -5.409 -1.096 28 HD23 LEU 3 2HD2 LEU 3 1.455 -7.111 -1.517 29 H THR 4 H THR 4 -0.166 -3.413 2.122 30 HA THR 4 HA THR 4 -2.268 -1.451 2.458 31 HB THR 4 HB THR 4 0.584 -1.407 3.493 32 HG1 THR 4 HG1 THR 4 -0.140 -2.670 5.031 33 HG21 THR 4 3HG2 THR 4 -0.245 0.260 5.098 34 HG22 THR 4 1HG2 THR 4 -1.818 0.244 4.303 35 HG23 THR 4 2HG2 THR 4 -0.400 0.837 3.440 36 H VAL 5 H VAL 5 -2.568 -0.548 0.429 37 HA VAL 5 HA VAL 5 -0.324 0.519 -1.076 38 HB VAL 5 HB VAL 5 -3.286 0.695 -1.674 39 HG11 VAL 5 1HG1 VAL 5 -0.889 1.089 -3.474 40 HG12 VAL 5 2HG1 VAL 5 -1.964 2.356 -2.881 41 HG13 VAL 5 3HG1 VAL 5 -2.579 1.123 -3.981 42 HG21 VAL 5 3HG2 VAL 5 -2.582 -1.634 -1.504 43 HG22 VAL 5 1HG2 VAL 5 -1.254 -1.333 -2.626 44 HG23 VAL 5 2HG2 VAL 5 -2.924 -1.211 -3.182 45 H ASN 6 H ASN 6 0.460 2.508 -0.725 46 HA ASN 6 HA ASN 6 0.604 4.757 -0.349 47 HB2 ASN 6 2HB ASN 6 -1.331 4.623 -2.084 48 HB3 ASN 6 1HB ASN 6 -2.386 4.975 -0.716 49 HD21 ASN 6 1HD2 ASN 6 0.068 6.201 -2.827 50 HD22 ASN 6 2HD2 ASN 6 -0.082 7.852 -2.371 51 H GLY 7 H GLY 7 -0.130 2.860 1.875 52 HA2 GLY 7 2HA GLY 7 -0.208 3.335 4.194 53 HA3 GLY 7 1HA GLY 7 -0.986 4.869 3.839 54 H LYS 8 H LYS 8 -2.635 2.826 1.956 55 HA LYS 8 HA LYS 8 -4.640 2.237 4.044 56 HB2 LYS 8 2HB LYS 8 -4.980 3.061 1.157 57 HB3 LYS 8 1HB LYS 8 -6.283 2.310 2.065 58 HG2 LYS 8 2HG LYS 8 -6.692 4.608 2.210 59 HG3 LYS 8 1HG LYS 8 -5.992 4.171 3.761 60 HD2 LYS 8 2HD LYS 8 -5.008 6.233 3.077 61 HD3 LYS 8 1HD LYS 8 -3.780 4.978 2.915 62 HE2 LYS 8 2HE LYS 8 -4.103 4.893 0.534 63 HE3 LYS 8 1HE LYS 8 -5.486 5.983 0.635 64 HZ1 LYS 8 3HZ LYS 8 -2.664 6.663 1.253 65 HZ2 LYS 8 1HZ LYS 8 -3.973 7.709 1.468 66 HZ3 LYS 8 2HZ LYS 8 -3.554 7.186 -0.083 67 HA PRO 9 HA PRO 9 -3.884 -2.008 2.840 68 HB2 PRO 9 2HB PRO 9 -5.507 -3.221 4.606 69 HB3 PRO 9 1HB PRO 9 -4.031 -2.392 5.119 70 HG2 PRO 9 2HG PRO 9 -6.871 -1.437 5.221 71 HG3 PRO 9 1HG PRO 9 -5.598 -1.282 6.444 72 HD2 PRO 9 2HD PRO 9 -6.319 0.717 4.688 73 HD3 PRO 9 1HD PRO 9 -4.720 0.595 5.451 74 H SER 10 H SER 10 -4.731 -3.403 1.357 75 HA SER 10 HA SER 10 -7.617 -3.611 0.962 76 HB2 SER 10 2HB SER 10 -7.022 -1.755 -0.528 77 HB3 SER 10 1HB SER 10 -5.764 -2.738 -1.279 78 HG SER 10 HG SER 10 -7.458 -2.987 -2.611 79 H THR 11 H THR 11 -8.221 -5.405 -0.469 80 HA THR 11 HA THR 11 -6.170 -7.537 -0.491 81 HB THR 11 HB THR 11 -9.193 -7.786 -0.422 82 HG1 THR 11 HG1 THR 11 -7.187 -8.303 1.546 83 HG21 THR 11 3HG2 THR 11 -7.066 -9.938 -0.335 84 HG22 THR 11 1HG2 THR 11 -8.185 -9.638 -1.666 85 HG23 THR 11 2HG2 THR 11 -8.797 -10.194 -0.109 86 H VAL 12 H VAL 12 -5.316 -7.826 -2.466 87 HA VAL 12 HA VAL 12 -7.073 -7.587 -4.831 88 HB VAL 12 HB VAL 12 -4.993 -7.223 -6.155 89 HG11 VAL 12 1HG1 VAL 12 -5.400 -5.268 -3.886 90 HG12 VAL 12 2HG1 VAL 12 -6.328 -5.321 -5.384 91 HG13 VAL 12 3HG1 VAL 12 -4.612 -4.917 -5.425 92 HG21 VAL 12 3HG2 VAL 12 -3.384 -8.326 -4.671 93 HG22 VAL 12 1HG2 VAL 12 -3.642 -7.080 -3.450 94 HG23 VAL 12 2HG2 VAL 12 -2.901 -6.661 -4.995 95 H ASP 13 H ASP 13 -7.635 -9.461 -5.765 96 HA ASP 13 HA ASP 13 -6.220 -11.914 -5.173 97 HB2 ASP 13 2HB ASP 13 -8.762 -11.665 -5.435 98 HB3 ASP 13 1HB ASP 13 -8.469 -11.598 -7.171 99 H GLY 14 H GLY 14 -5.722 -13.444 -7.093 100 HA2 GLY 14 2HA GLY 14 -4.467 -13.866 -8.987 101 HA3 GLY 14 1HA GLY 14 -4.802 -12.228 -9.524 102 H ALA 15 H ALA 15 -3.589 -12.079 -6.443 103 HA ALA 15 HA ALA 15 -0.801 -11.768 -7.371 104 HB1 ALA 15 3HB ALA 15 -0.588 -9.821 -5.888 105 HB2 ALA 15 1HB ALA 15 -2.287 -9.980 -5.438 106 HB3 ALA 15 2HB ALA 15 -1.849 -9.574 -7.098 107 H GLU 16 H GLU 16 0.247 -13.432 -6.464 108 HA GLU 16 HA GLU 16 -0.237 -14.143 -3.651 109 HB2 GLU 16 2HB GLU 16 -0.300 -15.977 -5.275 110 HB3 GLU 16 1HB GLU 16 1.306 -15.551 -5.847 111 HG2 GLU 16 2HG GLU 16 2.130 -16.041 -3.501 112 HG3 GLU 16 1HG GLU 16 0.541 -16.744 -3.194 113 H SER 17 H SER 17 2.601 -13.894 -5.795 114 HA SER 17 HA SER 17 3.881 -12.004 -3.981 115 HB2 SER 17 2HB SER 17 6.003 -13.286 -3.903 116 HB3 SER 17 1HB SER 17 4.689 -14.167 -3.124 117 HG SER 17 HG SER 17 4.870 -14.752 -5.778 118 H LEU 18 H LEU 18 4.128 -10.384 -5.419 119 HA LEU 18 HA LEU 18 5.147 -11.045 -8.118 120 HB2 LEU 18 2HB LEU 18 2.970 -9.087 -7.370 121 HB3 LEU 18 1HB LEU 18 3.674 -9.217 -8.969 122 HG LEU 18 HG LEU 18 2.132 -11.412 -7.567 123 HD11 LEU 18 1HD1 LEU 18 0.376 -10.956 -9.197 124 HD12 LEU 18 2HD1 LEU 18 1.313 -9.615 -9.856 125 HD13 LEU 18 3HD1 LEU 18 0.696 -9.534 -8.205 126 HD21 LEU 18 3HD2 LEU 18 3.807 -12.315 -9.076 127 HD22 LEU 18 1HD2 LEU 18 3.250 -11.251 -10.371 128 HD23 LEU 18 2HD2 LEU 18 2.196 -12.528 -9.759 129 H ASN 19 H ASN 19 6.853 -9.879 -8.804 130 HA ASN 19 HA ASN 19 8.061 -7.848 -7.257 131 HB2 ASN 19 2HB ASN 19 9.423 -7.403 -9.328 132 HB3 ASN 19 1HB ASN 19 9.431 -9.080 -8.793 133 HD21 ASN 19 1HD2 ASN 19 8.494 -6.884 -11.275 134 HD22 ASN 19 2HD2 ASN 19 7.966 -8.074 -12.411 135 H VAL 20 H VAL 20 8.247 -5.571 -7.690 136 HA VAL 20 HA VAL 20 5.848 -4.269 -7.712 137 HB VAL 20 HB VAL 20 8.451 -3.065 -8.664 138 HG11 VAL 20 1HG1 VAL 20 6.598 -1.592 -9.166 139 HG12 VAL 20 2HG1 VAL 20 7.519 -0.936 -7.813 140 HG13 VAL 20 3HG1 VAL 20 5.983 -1.752 -7.521 141 HG21 VAL 20 3HG2 VAL 20 8.749 -4.142 -6.508 142 HG22 VAL 20 1HG2 VAL 20 7.332 -3.311 -5.868 143 HG23 VAL 20 2HG2 VAL 20 8.770 -2.390 -6.309 144 H THR 21 H THR 21 7.908 -4.762 -10.596 145 HA THR 21 HA THR 21 6.511 -3.324 -12.489 146 HB THR 21 HB THR 21 7.734 -6.067 -12.912 147 HG1 THR 21 HG1 THR 21 9.362 -4.309 -13.844 148 HG21 THR 21 3HG2 THR 21 7.977 -5.366 -15.258 149 HG22 THR 21 1HG2 THR 21 7.116 -3.868 -14.900 150 HG23 THR 21 2HG2 THR 21 6.281 -5.418 -14.777 151 H GLU 22 H GLU 22 5.816 -6.679 -11.446 152 HA GLU 22 HA GLU 22 3.622 -7.063 -13.196 153 HB2 GLU 22 2HB GLU 22 4.005 -8.435 -10.534 154 HB3 GLU 22 1HB GLU 22 3.094 -9.024 -11.912 155 HG2 GLU 22 2HG GLU 22 6.063 -8.855 -11.553 156 HG3 GLU 22 1HG GLU 22 5.070 -10.267 -11.905 157 H LEU 23 H LEU 23 3.871 -5.696 -9.972 158 HA LEU 23 HA LEU 23 1.133 -5.630 -9.313 159 HB2 LEU 23 2HB LEU 23 3.130 -5.171 -7.808 160 HB3 LEU 23 1HB LEU 23 3.203 -3.573 -8.518 161 HG LEU 23 HG LEU 23 0.717 -4.564 -7.118 162 HD11 LEU 23 1HD1 LEU 23 2.565 -4.782 -5.540 163 HD12 LEU 23 2HD1 LEU 23 1.505 -3.449 -5.087 164 HD13 LEU 23 3HD1 LEU 23 3.055 -3.118 -5.862 165 HD21 LEU 23 3HD2 LEU 23 1.781 -1.789 -7.697 166 HD22 LEU 23 1HD2 LEU 23 0.309 -2.154 -6.795 167 HD23 LEU 23 2HD2 LEU 23 0.425 -2.580 -8.501 168 H LEU 24 H LEU 24 3.198 -3.130 -10.835 169 HA LEU 24 HA LEU 24 1.110 -1.336 -11.481 170 HB2 LEU 24 2HB LEU 24 3.848 -1.771 -12.671 171 HB3 LEU 24 1HB LEU 24 2.758 -0.551 -13.296 172 HG LEU 24 HG LEU 24 4.338 0.499 -11.814 173 HD11 LEU 24 1HD1 LEU 24 1.635 0.306 -10.482 174 HD12 LEU 24 2HD1 LEU 24 2.084 1.406 -11.785 175 HD13 LEU 24 3HD1 LEU 24 2.842 1.562 -10.203 176 HD21 LEU 24 3HD2 LEU 24 4.977 -1.420 -10.461 177 HD22 LEU 24 1HD2 LEU 24 3.397 -1.414 -9.676 178 HD23 LEU 24 2HD2 LEU 24 4.507 -0.062 -9.441 179 H SER 25 H SER 25 2.380 -4.158 -13.154 180 HA SER 25 HA SER 25 1.011 -3.847 -15.611 181 HB2 SER 25 2HB SER 25 2.824 -5.455 -15.384 182 HB3 SER 25 1HB SER 25 1.907 -6.370 -14.188 183 HG SER 25 HG SER 25 1.230 -7.445 -15.863 184 H ALA 26 H ALA 26 0.062 -5.455 -12.583 185 HA ALA 26 HA ALA 26 -2.486 -6.341 -13.513 186 HB1 ALA 26 3HB ALA 26 -1.561 -5.852 -10.676 187 HB2 ALA 26 1HB ALA 26 -1.360 -7.354 -11.579 188 HB3 ALA 26 2HB ALA 26 -2.977 -6.785 -11.164 189 H LEU 27 H LEU 27 -1.329 -3.408 -11.966 190 HA LEU 27 HA LEU 27 -3.880 -2.203 -11.525 191 HB2 LEU 27 2HB LEU 27 -1.594 -1.647 -10.473 192 HB3 LEU 27 1HB LEU 27 -1.264 -0.746 -11.936 193 HG LEU 27 HG LEU 27 -3.633 -0.145 -10.146 194 HD11 LEU 27 1HD1 LEU 27 -0.882 1.105 -10.102 195 HD12 LEU 27 2HD1 LEU 27 -1.601 0.110 -8.833 196 HD13 LEU 27 3HD1 LEU 27 -2.292 1.687 -9.214 197 HD21 LEU 27 3HD2 LEU 27 -3.831 0.743 -12.412 198 HD22 LEU 27 1HD2 LEU 27 -2.241 1.496 -12.273 199 HD23 LEU 27 2HD2 LEU 27 -3.573 2.047 -11.255 200 H LYS 28 H LYS 28 -1.631 -2.306 -14.218 201 HA LYS 28 HA LYS 28 -1.640 -1.511 -16.336 202 HB2 LYS 28 2HB LYS 28 -4.636 -1.489 -15.912 203 HB3 LYS 28 1HB LYS 28 -3.861 -1.219 -17.467 204 HG2 LYS 28 2HG LYS 28 -2.818 -3.480 -17.261 205 HG3 LYS 28 1HG LYS 28 -3.784 -3.735 -15.806 206 HD2 LYS 28 2HD LYS 28 -4.911 -3.124 -18.547 207 HD3 LYS 28 1HD LYS 28 -4.787 -4.738 -17.850 208 HE2 LYS 28 2HE LYS 28 -6.274 -4.077 -16.024 209 HE3 LYS 28 1HE LYS 28 -6.372 -2.444 -16.687 210 HZ1 LYS 28 3HZ LYS 28 -8.267 -3.967 -17.244 211 HZ2 LYS 28 1HZ LYS 28 -7.198 -4.843 -18.218 212 HZ3 LYS 28 2HZ LYS 28 -7.531 -3.221 -18.565 213 H VAL 29 H VAL 29 -0.551 0.361 -15.378 214 HA VAL 29 HA VAL 29 -2.140 2.836 -15.662 215 HB VAL 29 HB VAL 29 -1.327 2.487 -13.358 216 HG11 VAL 29 1HG1 VAL 29 1.437 2.615 -14.567 217 HG12 VAL 29 2HG1 VAL 29 0.681 1.195 -13.844 218 HG13 VAL 29 3HG1 VAL 29 1.065 2.596 -12.843 219 HG21 VAL 29 3HG2 VAL 29 -1.627 4.768 -14.165 220 HG22 VAL 29 1HG2 VAL 29 0.026 4.788 -14.780 221 HG23 VAL 29 2HG2 VAL 29 -0.268 4.685 -13.043 222 H ALA 30 H ALA 30 -1.323 4.507 -16.890 223 HA ALA 30 HA ALA 30 0.631 3.848 -18.881 224 HB1 ALA 30 3HB ALA 30 0.160 6.021 -19.819 225 HB2 ALA 30 1HB ALA 30 -0.667 6.520 -18.343 226 HB3 ALA 30 2HB ALA 30 -1.355 5.248 -19.352 227 H GLN 31 H GLN 31 2.680 4.632 -19.149 228 HA GLN 31 HA GLN 31 4.705 5.547 -18.703 229 HB2 GLN 31 2HB GLN 31 3.235 7.279 -16.703 230 HB3 GLN 31 1HB GLN 31 4.911 7.496 -17.189 231 HG2 GLN 31 2HG GLN 31 4.054 7.796 -19.553 232 HG3 GLN 31 1HG GLN 31 2.433 7.862 -18.862 233 HE21 GLN 31 1HE2 GLN 31 2.073 9.971 -19.472 234 HE22 GLN 31 2HE2 GLN 31 2.897 11.316 -18.762 235 H ALA 32 H ALA 32 3.889 3.142 -17.399 236 HA ALA 32 HA ALA 32 4.570 2.986 -14.691 237 HB1 ALA 32 3HB ALA 32 4.934 0.611 -15.064 238 HB2 ALA 32 1HB ALA 32 5.012 0.881 -16.807 239 HB3 ALA 32 2HB ALA 32 3.505 1.165 -15.936 240 H GLU 33 H GLU 33 6.657 2.907 -17.542 241 HA GLU 33 HA GLU 33 9.093 2.387 -16.134 242 HB2 GLU 33 2HB GLU 33 8.856 1.831 -18.490 243 HB3 GLU 33 1HB GLU 33 8.543 3.508 -18.895 244 HG2 GLU 33 2HG GLU 33 10.777 2.901 -19.559 245 HG3 GLU 33 1HG GLU 33 10.847 4.084 -18.258 246 H TYR 34 H TYR 34 7.154 5.055 -16.013 247 HA TYR 34 HA TYR 34 9.413 6.938 -15.723 248 HB2 TYR 34 2HB TYR 34 6.579 7.636 -16.524 249 HB3 TYR 34 1HB TYR 34 7.964 8.719 -16.494 250 HD1 TYR 34 HD2 TYR 34 6.574 5.722 -18.188 251 HD2 TYR 34 HD1 TYR 34 9.352 8.942 -18.410 252 HE1 TYR 34 HE2 TYR 34 7.002 5.177 -20.541 253 HE2 TYR 34 HE1 TYR 34 9.786 8.404 -20.770 254 HH TYR 34 HH TYR 34 9.613 6.509 -22.295 255 H VAL 35 H VAL 35 6.848 5.399 -14.095 256 HA VAL 35 HA VAL 35 6.318 7.556 -12.223 257 HB VAL 35 HB VAL 35 4.435 6.180 -12.887 258 HG11 VAL 35 1HG1 VAL 35 5.607 4.090 -13.367 259 HG12 VAL 35 2HG1 VAL 35 4.250 3.817 -12.274 260 HG13 VAL 35 3HG1 VAL 35 5.898 3.845 -11.646 261 HG21 VAL 35 3HG2 VAL 35 3.539 5.605 -10.689 262 HG22 VAL 35 1HG2 VAL 35 4.417 7.132 -10.624 263 HG23 VAL 35 2HG2 VAL 35 5.158 5.662 -9.996 264 H THR 36 H THR 36 7.262 7.843 -10.299 265 HA THR 36 HA THR 36 9.131 5.838 -9.277 266 HB THR 36 HB THR 36 8.559 8.628 -8.243 267 HG1 THR 36 HG1 THR 36 10.474 9.191 -9.322 268 HG21 THR 36 3HG2 THR 36 9.478 7.200 -6.495 269 HG22 THR 36 1HG2 THR 36 10.699 8.358 -7.029 270 HG23 THR 36 2HG2 THR 36 10.777 6.681 -7.570 271 H VAL 37 H VAL 37 8.373 4.331 -7.905 272 HA VAL 37 HA VAL 37 6.356 5.134 -5.892 273 HB VAL 37 HB VAL 37 5.624 2.791 -5.781 274 HG11 VAL 37 1HG1 VAL 37 4.448 4.313 -7.278 275 HG12 VAL 37 2HG1 VAL 37 4.471 2.677 -7.938 276 HG13 VAL 37 3HG1 VAL 37 5.559 3.906 -8.587 277 HG21 VAL 37 3HG2 VAL 37 6.366 1.160 -7.470 278 HG22 VAL 37 1HG2 VAL 37 7.694 1.679 -6.431 279 HG23 VAL 37 2HG2 VAL 37 7.549 2.323 -8.066 280 H GLU 38 H GLU 38 6.529 4.033 -3.781 281 HA GLU 38 HA GLU 38 9.282 3.163 -3.181 282 HB2 GLU 38 2HB GLU 38 9.110 4.389 -1.003 283 HB3 GLU 38 1HB GLU 38 9.185 5.420 -2.425 284 HG2 GLU 38 2HG GLU 38 6.711 5.662 -2.298 285 HG3 GLU 38 1HG GLU 38 6.747 4.766 -0.783 286 H LEU 39 H LEU 39 9.515 1.435 -1.972 287 HA LEU 39 HA LEU 39 7.144 -0.026 -1.095 288 HB2 LEU 39 2HB LEU 39 9.027 -0.997 -2.515 289 HB3 LEU 39 1HB LEU 39 10.042 -0.916 -1.091 290 HG LEU 39 HG LEU 39 9.032 -3.176 -1.660 291 HD11 LEU 39 1HD1 LEU 39 10.013 -2.856 0.483 292 HD12 LEU 39 2HD1 LEU 39 8.486 -3.709 0.713 293 HD13 LEU 39 3HD1 LEU 39 8.599 -1.985 1.068 294 HD21 LEU 39 3HD2 LEU 39 6.518 -1.880 -0.602 295 HD22 LEU 39 1HD2 LEU 39 6.729 -3.590 -0.981 296 HD23 LEU 39 2HD2 LEU 39 6.800 -2.385 -2.267 297 H ASN 40 H ASN 40 6.448 0.557 0.915 298 HA ASN 40 HA ASN 40 6.429 1.294 3.075 299 HB2 ASN 40 2HB ASN 40 8.765 -0.608 3.085 300 HB3 ASN 40 1HB ASN 40 8.326 0.275 4.545 301 HD21 ASN 40 1HD2 ASN 40 7.335 -2.172 2.283 302 HD22 ASN 40 2HD2 ASN 40 6.078 -2.826 3.255 303 H GLY 41 H GLY 41 7.365 3.228 1.430 304 HA2 GLY 41 2HA GLY 41 8.323 5.328 1.668 305 HA3 GLY 41 1HA GLY 41 9.044 4.799 3.176 306 H GLU 42 H GLU 42 9.935 2.515 1.001 307 HA GLU 42 HA GLU 42 12.585 3.739 0.682 308 HB2 GLU 42 2HB GLU 42 12.513 1.568 1.786 309 HB3 GLU 42 1HB GLU 42 11.653 0.871 0.422 310 HG2 GLU 42 2HG GLU 42 13.973 0.198 0.395 311 HG3 GLU 42 1HG GLU 42 13.615 1.212 -0.999 312 H VAL 43 H VAL 43 12.959 4.740 -1.204 313 HA VAL 43 HA VAL 43 11.298 4.352 -3.502 314 HB VAL 43 HB VAL 43 12.181 6.560 -3.010 315 HG11 VAL 43 1HG1 VAL 43 14.305 5.935 -1.985 316 HG12 VAL 43 2HG1 VAL 43 14.558 7.108 -3.276 317 HG13 VAL 43 3HG1 VAL 43 14.922 5.405 -3.551 318 HG21 VAL 43 3HG2 VAL 43 13.042 7.171 -5.236 319 HG22 VAL 43 1HG2 VAL 43 11.665 6.072 -5.343 320 HG23 VAL 43 2HG2 VAL 43 13.301 5.465 -5.600 321 H LEU 44 H LEU 44 11.539 2.968 -5.155 322 HA LEU 44 HA LEU 44 14.033 1.423 -5.367 323 HB2 LEU 44 2HB LEU 44 11.412 0.932 -6.792 324 HB3 LEU 44 1HB LEU 44 12.789 -0.145 -6.741 325 HG LEU 44 HG LEU 44 11.233 -1.099 -5.282 326 HD11 LEU 44 1HD1 LEU 44 13.446 -1.044 -4.309 327 HD12 LEU 44 2HD1 LEU 44 12.212 -0.936 -3.055 328 HD13 LEU 44 3HD1 LEU 44 13.096 0.510 -3.546 329 HD21 LEU 44 3HD2 LEU 44 9.671 0.749 -5.128 330 HD22 LEU 44 1HD2 LEU 44 10.772 1.623 -4.064 331 HD23 LEU 44 2HD2 LEU 44 10.036 0.113 -3.525 332 H GLU 45 H GLU 45 15.151 1.181 -7.336 333 HA GLU 45 HA GLU 45 15.053 3.322 -9.229 334 HB2 GLU 45 2HB GLU 45 17.011 1.680 -8.529 335 HB3 GLU 45 1HB GLU 45 16.362 0.669 -9.810 336 HG2 GLU 45 2HG GLU 45 17.318 3.510 -10.163 337 HG3 GLU 45 1HG GLU 45 18.273 2.073 -10.507 338 H ARG 46 H ARG 46 14.371 3.159 -11.480 339 HA ARG 46 HA ARG 46 11.817 2.109 -11.788 340 HB2 ARG 46 2HB ARG 46 13.657 2.652 -14.118 341 HB3 ARG 46 1HB ARG 46 11.903 2.774 -14.073 342 HG2 ARG 46 2HG ARG 46 12.241 4.626 -12.346 343 HG3 ARG 46 1HG ARG 46 13.937 4.607 -12.833 344 HD2 ARG 46 2HD ARG 46 11.515 5.387 -14.415 345 HD3 ARG 46 1HD ARG 46 13.016 6.275 -14.168 346 HE ARG 46 HE ARG 46 12.824 3.862 -15.855 347 HH11 ARG 46 1HH1 ARG 46 14.068 7.022 -15.266 348 HH12 ARG 46 2HH1 ARG 46 14.867 7.101 -16.798 349 HH21 ARG 46 1HH2 ARG 46 13.860 3.957 -17.776 350 HH22 ARG 46 2HH2 ARG 46 14.763 5.374 -18.205 351 H GLU 47 H GLU 47 14.912 0.658 -12.797 352 HA GLU 47 HA GLU 47 13.631 -1.657 -13.944 353 HB2 GLU 47 2HB GLU 47 15.806 -0.956 -14.789 354 HB3 GLU 47 1HB GLU 47 16.528 -1.173 -13.200 355 HG2 GLU 47 2HG GLU 47 16.170 -3.557 -13.310 356 HG3 GLU 47 1HG GLU 47 15.296 -3.389 -14.830 357 H ALA 48 H ALA 48 14.880 -0.776 -10.804 358 HA ALA 48 HA ALA 48 15.128 -3.315 -9.631 359 HB1 ALA 48 3HB ALA 48 14.963 -2.168 -7.482 360 HB2 ALA 48 1HB ALA 48 14.370 -0.717 -8.294 361 HB3 ALA 48 2HB ALA 48 16.012 -1.290 -8.596 362 H PHE 49 H PHE 49 12.299 -1.579 -10.551 363 HA PHE 49 HA PHE 49 10.358 -2.633 -8.842 364 HB2 PHE 49 2HB PHE 49 10.126 -2.053 -11.811 365 HB3 PHE 49 1HB PHE 49 8.765 -2.330 -10.733 366 HD1 PHE 49 HD1 PHE 49 10.625 -0.628 -8.554 367 HD2 PHE 49 HD2 PHE 49 8.800 0.044 -12.348 368 HE1 PHE 49 HE1 PHE 49 10.523 1.781 -8.081 369 HE2 PHE 49 HE2 PHE 49 8.703 2.455 -11.873 370 HZ PHE 49 HZ PHE 49 9.567 3.328 -9.736 371 H ASP 50 H ASP 50 12.029 -4.117 -11.536 372 HA ASP 50 HA ASP 50 10.341 -6.462 -11.622 373 HB2 ASP 50 2HB ASP 50 11.468 -5.501 -13.618 374 HB3 ASP 50 1HB ASP 50 13.027 -5.929 -12.922 375 H ALA 51 H ALA 51 13.237 -5.499 -9.956 376 HA ALA 51 HA ALA 51 13.952 -8.237 -9.218 377 HB1 ALA 51 3HB ALA 51 15.736 -6.676 -9.817 378 HB2 ALA 51 1HB ALA 51 15.907 -7.234 -8.153 379 HB3 ALA 51 2HB ALA 51 15.271 -5.622 -8.482 380 H THR 52 H THR 52 12.233 -5.537 -7.867 381 HA THR 52 HA THR 52 12.476 -6.497 -5.119 382 HB THR 52 HB THR 52 10.852 -4.176 -6.206 383 HG1 THR 52 HG1 THR 52 13.173 -3.952 -6.377 384 HG21 THR 52 3HG2 THR 52 11.559 -4.924 -3.358 385 HG22 THR 52 1HG2 THR 52 9.950 -4.986 -4.079 386 HG23 THR 52 2HG2 THR 52 10.756 -3.433 -3.854 387 H THR 53 H THR 53 11.296 -8.261 -4.627 388 HA THR 53 HA THR 53 8.732 -8.768 -5.901 389 HB THR 53 HB THR 53 8.743 -10.896 -4.649 390 HG1 THR 53 HG1 THR 53 10.629 -11.390 -3.391 391 HG21 THR 53 3HG2 THR 53 11.374 -10.302 -6.019 392 HG22 THR 53 1HG2 THR 53 9.878 -10.779 -6.825 393 HG23 THR 53 2HG2 THR 53 10.695 -11.906 -5.740 394 H VAL 54 H VAL 54 6.925 -7.877 -5.138 395 HA VAL 54 HA VAL 54 6.656 -7.194 -2.311 396 HB VAL 54 HB VAL 54 4.687 -6.748 -4.576 397 HG11 VAL 54 1HG1 VAL 54 3.630 -5.140 -3.062 398 HG12 VAL 54 2HG1 VAL 54 4.788 -5.555 -1.798 399 HG13 VAL 54 3HG1 VAL 54 3.631 -6.761 -2.363 400 HG21 VAL 54 3HG2 VAL 54 6.757 -5.537 -4.998 401 HG22 VAL 54 1HG2 VAL 54 6.717 -4.858 -3.368 402 HG23 VAL 54 2HG2 VAL 54 5.478 -4.411 -4.542 403 H LYS 55 H LYS 55 5.411 -8.309 -0.873 404 HA LYS 55 HA LYS 55 3.802 -10.567 -1.888 405 HB2 LYS 55 2HB LYS 55 5.614 -10.559 0.538 406 HB3 LYS 55 1HB LYS 55 4.517 -11.865 0.108 407 HG2 LYS 55 2HG LYS 55 5.756 -12.118 -2.040 408 HG3 LYS 55 1HG LYS 55 6.912 -10.918 -1.461 409 HD2 LYS 55 2HD LYS 55 7.754 -13.175 -1.080 410 HD3 LYS 55 1HD LYS 55 7.447 -12.364 0.457 411 HE2 LYS 55 2HE LYS 55 5.347 -13.566 0.700 412 HE3 LYS 55 1HE LYS 55 5.568 -14.317 -0.881 413 HZ1 LYS 55 3HZ LYS 55 6.213 -15.863 0.793 414 HZ2 LYS 55 1HZ LYS 55 7.230 -14.739 1.545 415 HZ3 LYS 55 2HZ LYS 55 7.618 -15.347 0.017 416 H ASP 56 H ASP 56 2.573 -11.521 0.211 417 HA ASP 56 HA ASP 56 0.475 -9.759 0.745 418 HB2 ASP 56 2HB ASP 56 0.359 -12.247 0.847 419 HB3 ASP 56 1HB ASP 56 1.276 -12.204 2.348 420 H GLY 57 H GLY 57 -0.102 -8.504 2.495 421 HA2 GLY 57 2HA GLY 57 0.102 -7.249 4.400 422 HA3 GLY 57 1HA GLY 57 1.185 -8.488 5.006 423 H ASP 58 H ASP 58 1.757 -6.562 2.091 424 HA ASP 58 HA ASP 58 3.980 -5.222 3.514 425 HB2 ASP 58 2HB ASP 58 4.352 -6.968 1.510 426 HB3 ASP 58 1HB ASP 58 4.066 -5.527 0.538 427 H ALA 59 H ALA 59 4.645 -3.201 1.806 428 HA ALA 59 HA ALA 59 2.136 -1.677 1.526 429 HB1 ALA 59 3HB ALA 59 4.600 -0.665 2.937 430 HB2 ALA 59 1HB ALA 59 3.107 -1.186 3.716 431 HB3 ALA 59 2HB ALA 59 3.106 0.233 2.669 432 H VAL 60 H VAL 60 2.114 -1.430 -0.654 433 HA VAL 60 HA VAL 60 4.428 -0.216 -1.988 434 HB VAL 60 HB VAL 60 3.444 -2.032 -3.226 435 HG11 VAL 60 1HG1 VAL 60 1.219 -2.053 -2.254 436 HG12 VAL 60 2HG1 VAL 60 1.116 -2.007 -4.014 437 HG13 VAL 60 3HG1 VAL 60 0.819 -0.544 -3.073 438 HG21 VAL 60 3HG2 VAL 60 2.914 -0.935 -5.349 439 HG22 VAL 60 1HG2 VAL 60 4.268 -0.143 -4.547 440 HG23 VAL 60 2HG2 VAL 60 2.666 0.596 -4.510 441 H GLU 61 H GLU 61 4.558 1.944 -1.848 442 HA GLU 61 HA GLU 61 2.077 3.499 -1.602 443 HB2 GLU 61 2HB GLU 61 4.934 4.214 -0.916 444 HB3 GLU 61 1HB GLU 61 3.566 5.312 -0.752 445 HG2 GLU 61 2HG GLU 61 2.515 3.823 0.850 446 HG3 GLU 61 1HG GLU 61 3.815 2.652 0.647 447 H PHE 62 H PHE 62 1.314 4.061 -3.499 448 HA PHE 62 HA PHE 62 2.964 4.765 -5.765 449 HB2 PHE 62 2HB PHE 62 0.701 3.546 -5.803 450 HB3 PHE 62 1HB PHE 62 -0.030 5.113 -5.502 451 HD1 PHE 62 HD1 PHE 62 1.879 3.104 -7.915 452 HD2 PHE 62 HD2 PHE 62 -0.220 6.748 -7.249 453 HE1 PHE 62 HE1 PHE 62 1.888 3.545 -10.329 454 HE2 PHE 62 HE2 PHE 62 -0.217 7.194 -9.668 455 HZ PHE 62 HZ PHE 62 0.838 5.595 -11.215 456 H LEU 63 H LEU 63 3.804 6.773 -6.039 457 HA LEU 63 HA LEU 63 2.954 8.924 -4.320 458 HB2 LEU 63 2HB LEU 63 5.031 8.914 -6.515 459 HB3 LEU 63 1HB LEU 63 4.811 10.177 -5.317 460 HG LEU 63 HG LEU 63 5.725 7.338 -4.797 461 HD11 LEU 63 1HD1 LEU 63 7.440 8.792 -5.766 462 HD12 LEU 63 2HD1 LEU 63 7.812 8.369 -4.096 463 HD13 LEU 63 3HD1 LEU 63 7.174 9.968 -4.478 464 HD21 LEU 63 3HD2 LEU 63 5.213 9.573 -2.825 465 HD22 LEU 63 1HD2 LEU 63 5.984 8.031 -2.447 466 HD23 LEU 63 2HD2 LEU 63 4.300 8.070 -2.967 467 H TYR 64 H TYR 64 3.158 11.206 -5.594 468 HA TYR 64 HA TYR 64 0.634 11.687 -6.627 469 HB2 TYR 64 2HB TYR 64 1.639 13.930 -7.301 470 HB3 TYR 64 1HB TYR 64 1.817 13.464 -5.612 471 HD1 TYR 64 HD1 TYR 64 3.618 13.809 -8.838 472 HD2 TYR 64 HD2 TYR 64 3.971 13.057 -4.659 473 HE1 TYR 64 HE1 TYR 64 6.059 14.072 -8.997 474 HE2 TYR 64 HE2 TYR 64 6.406 13.321 -4.809 475 HH TYR 64 HH TYR 64 7.955 14.621 -7.538 476 H PHE 65 H PHE 65 2.950 10.084 -8.418 477 HA PHE 65 HA PHE 65 2.777 11.438 -10.915 478 HB2 PHE 65 2HB PHE 65 3.563 8.580 -10.306 479 HB3 PHE 65 1HB PHE 65 3.791 9.380 -11.857 480 HD1 PHE 65 HD1 PHE 65 4.862 9.295 -8.332 481 HD2 PHE 65 HD2 PHE 65 5.603 10.905 -12.207 482 HE1 PHE 65 HE1 PHE 65 7.049 10.119 -7.570 483 HE2 PHE 65 HE2 PHE 65 7.791 11.732 -11.444 484 HZ PHE 65 HZ PHE 65 8.519 11.335 -9.122 485 H MET 66 H MET 66 0.658 11.773 -11.526 486 HA MET 66 HA MET 66 -0.752 9.441 -12.586 487 HB2 MET 66 2HB MET 66 -1.632 9.810 -10.281 488 HB3 MET 66 1HB MET 66 -2.115 11.432 -10.752 489 HG2 MET 66 2HG MET 66 -3.631 10.478 -12.434 490 HG3 MET 66 1HG MET 66 -3.159 8.860 -11.923 491 HE1 MET 66 3HE MET 66 -4.511 8.772 -8.231 492 HE2 MET 66 1HE MET 66 -2.904 9.285 -8.746 493 HE3 MET 66 2HE MET 66 -3.660 7.875 -9.488 494 H GLY 67 H GLY 67 -2.328 9.978 -14.224 495 HA2 GLY 67 2HA GLY 67 -3.436 12.092 -15.230 496 HA3 GLY 67 1HA GLY 67 -1.773 12.596 -15.479 497 H GLY 68 H GLY 68 -1.130 9.641 -16.025 498 HA2 GLY 68 2HA GLY 68 -1.169 8.141 -17.784 499 HA3 GLY 68 1HA GLY 68 -2.564 8.985 -18.430 500 H GLY 69 H GLY 69 -1.804 11.403 -19.124 501 HA2 GLY 69 2HA GLY 69 -0.373 12.718 -20.423 502 HA3 GLY 69 1HA GLY 69 0.793 11.406 -20.446 503 H LYS 70 H LYS 70 -0.503 9.333 -21.572 504 HA LYS 70 HA LYS 70 -0.791 10.175 -24.323 505 HB2 LYS 70 2HB LYS 70 0.478 8.149 -23.765 506 HB3 LYS 70 1HB LYS 70 -0.963 7.420 -23.074 507 HG2 LYS 70 2HG LYS 70 -0.531 6.508 -25.274 508 HG3 LYS 70 1HG LYS 70 -2.028 7.439 -25.287 509 HD2 LYS 70 2HD LYS 70 -0.885 9.317 -26.336 510 HD3 LYS 70 1HD LYS 70 0.654 8.458 -26.246 511 HE2 LYS 70 2HE LYS 70 -1.768 7.566 -27.821 512 HE3 LYS 70 1HE LYS 70 -0.334 8.341 -28.495 513 HZ1 LYS 70 3HZ LYS 70 0.989 6.468 -27.793 514 HZ2 LYS 70 1HZ LYS 70 -0.295 5.923 -28.750 515 HZ3 LYS 70 2HZ LYS 70 -0.348 5.734 -27.069 516 H LEU 71 H LEU 71 -2.702 11.471 -23.858 517 HA LEU 71 HA LEU 71 -4.962 11.877 -23.631 518 HB2 LEU 71 2HB LEU 71 -4.430 11.705 -26.010 519 HB3 LEU 71 1HB LEU 71 -4.819 9.996 -25.985 520 HG LEU 71 HG LEU 71 -7.167 10.516 -25.493 521 HD11 LEU 71 1HD1 LEU 71 -6.315 13.404 -25.680 522 HD12 LEU 71 2HD1 LEU 71 -6.872 12.569 -24.229 523 HD13 LEU 71 3HD1 LEU 71 -7.978 12.825 -25.578 524 HD21 LEU 71 3HD2 LEU 71 -6.091 12.035 -27.871 525 HD22 LEU 71 1HD2 LEU 71 -7.758 11.495 -27.656 526 HD23 LEU 71 2HD2 LEU 71 -6.461 10.311 -27.822 527 H GLU 72 H GLU 72 -5.682 10.964 -21.668 528 HA GLU 72 HA GLU 72 -6.978 8.328 -21.880 529 HB2 GLU 72 2HB GLU 72 -7.202 8.392 -19.431 530 HB3 GLU 72 1HB GLU 72 -5.530 8.557 -19.944 531 HG2 GLU 72 2HG GLU 72 -5.489 10.861 -19.402 532 HG3 GLU 72 1HG GLU 72 -7.242 10.924 -19.224 533 H HIS 73 H HIS 73 -7.698 11.715 -21.625 534 HA HIS 73 HA HIS 73 -10.551 11.086 -21.895 535 HB2 HIS 73 2HB HIS 73 -9.366 12.845 -19.753 536 HB3 HIS 73 1HB HIS 73 -11.013 13.091 -20.319 537 HD1 HIS 73 HD1 HIS 73 -12.780 11.380 -19.619 538 HD2 HIS 73 HD2 HIS 73 -8.966 10.505 -18.217 539 HE1 HIS 73 HE1 HIS 73 -13.091 9.587 -17.896 540 HE2 HIS 73 HE2 HIS 73 -10.791 9.159 -16.976 541 H HIS 74 H HIS 74 -11.377 12.130 -23.585 542 HA HIS 74 HA HIS 74 -10.457 14.886 -24.134 543 HB2 HIS 74 2HB HIS 74 -9.755 13.287 -25.930 544 HB3 HIS 74 1HB HIS 74 -11.453 12.922 -26.223 545 HD1 HIS 74 HD1 HIS 74 -12.852 14.700 -27.468 546 HD2 HIS 74 HD2 HIS 74 -8.907 15.829 -26.817 547 HE1 HIS 74 HE1 HIS 74 -12.501 16.757 -28.862 548 HE2 HIS 74 HE2 HIS 74 -10.166 17.510 -28.322 549 H HIS 75 H HIS 75 -12.028 16.375 -23.925 550 HA HIS 75 HA HIS 75 -14.692 15.376 -23.241 551 HB2 HIS 75 2HB HIS 75 -13.142 16.955 -21.812 552 HB3 HIS 75 1HB HIS 75 -13.818 18.216 -22.834 553 HD1 HIS 75 HD1 HIS 75 -14.506 16.192 -19.885 554 HD2 HIS 75 HD2 HIS 75 -16.721 18.452 -22.573 555 HE1 HIS 75 HE1 HIS 75 -16.728 16.554 -18.782 556 HE2 HIS 75 HE2 HIS 75 -18.104 17.760 -20.503 557 H HIS 76 H HIS 76 -16.594 16.131 -24.162 558 HA HIS 76 HA HIS 76 -16.403 17.528 -26.713 559 HB2 HIS 76 2HB HIS 76 -18.813 16.406 -25.245 560 HB3 HIS 76 1HB HIS 76 -18.834 17.075 -26.875 561 HD1 HIS 76 HD1 HIS 76 -17.911 14.017 -24.958 562 HD2 HIS 76 HD2 HIS 76 -17.650 15.447 -28.855 563 HE1 HIS 76 HE1 HIS 76 -17.305 12.030 -26.368 564 HE2 HIS 76 HE2 HIS 76 -17.090 12.926 -28.705 565 H HIS 77 H HIS 77 -16.168 19.686 -26.574 566 HA HIS 77 HA HIS 77 -18.040 21.244 -24.944 567 HB2 HIS 77 2HB HIS 77 -16.056 20.879 -23.521 568 HB3 HIS 77 1HB HIS 77 -15.025 21.547 -24.780 569 HD1 HIS 77 HD1 HIS 77 -15.213 24.154 -25.184 570 HD2 HIS 77 HD2 HIS 77 -17.291 22.716 -21.887 571 HE1 HIS 77 HE1 HIS 77 -15.749 26.171 -23.797 572 HE2 HIS 77 HE2 HIS 77 -16.797 25.246 -21.709 573 H HIS 78 H HIS 78 -18.445 23.327 -25.738 574 HA HIS 78 HA HIS 78 -17.078 24.023 -28.266 575 HB2 HIS 78 2HB HIS 78 -19.197 25.279 -28.855 576 HB3 HIS 78 1HB HIS 78 -19.323 23.528 -28.840 577 HD1 HIS 78 HD1 HIS 78 -20.357 26.561 -26.850 578 HD2 HIS 78 HD2 HIS 78 -21.203 22.497 -27.092 579 HE1 HIS 78 HE1 HIS 78 -22.393 26.210 -25.423 580 HE2 HIS 78 HE2 HIS 78 -22.831 23.735 -25.506 Start of MODEL 15 1 H1 MET 1 1H MET 1 -2.765 -11.883 -2.741 2 H2 MET 1 2H MET 1 -3.398 -10.319 -2.873 3 H3 MET 1 3H MET 1 -4.099 -11.424 -1.803 4 HA MET 1 HA MET 1 -2.196 -11.440 -0.409 5 HB2 MET 1 2HB MET 1 -0.223 -10.072 -0.884 6 HB3 MET 1 1HB MET 1 -0.507 -11.208 -2.195 7 HG2 MET 1 2HG MET 1 -1.458 -9.460 -3.563 8 HG3 MET 1 1HG MET 1 -1.326 -8.309 -2.237 9 HE1 MET 1 3HE MET 1 1.220 -11.041 -3.550 10 HE2 MET 1 1HE MET 1 2.240 -10.048 -4.590 11 HE3 MET 1 2HE MET 1 0.549 -10.317 -5.011 12 H ASN 2 H ASN 2 -2.280 -10.107 1.369 13 HA ASN 2 HA ASN 2 -3.956 -7.734 1.219 14 HB2 ASN 2 2HB ASN 2 -2.609 -9.072 3.583 15 HB3 ASN 2 1HB ASN 2 -3.730 -7.719 3.692 16 HD21 ASN 2 1HD2 ASN 2 -5.153 -8.881 4.942 17 HD22 ASN 2 2HD2 ASN 2 -6.138 -10.144 4.297 18 H LEU 3 H LEU 3 -3.113 -5.754 0.852 19 HA LEU 3 HA LEU 3 -0.340 -5.199 1.743 20 HB2 LEU 3 2HB LEU 3 -1.622 -4.187 -0.802 21 HB3 LEU 3 1HB LEU 3 0.016 -3.871 -0.267 22 HG LEU 3 HG LEU 3 -1.062 -6.583 -1.067 23 HD11 LEU 3 1HD1 LEU 3 -0.915 -5.076 -2.976 24 HD12 LEU 3 2HD1 LEU 3 0.331 -6.321 -3.065 25 HD13 LEU 3 3HD1 LEU 3 0.751 -4.684 -2.558 26 HD21 LEU 3 3HD2 LEU 3 1.279 -7.287 -0.986 27 HD22 LEU 3 1HD2 LEU 3 0.724 -6.732 0.591 28 HD23 LEU 3 2HD2 LEU 3 1.746 -5.689 -0.400 29 H THR 4 H THR 4 0.120 -2.821 1.899 30 HA THR 4 HA THR 4 -2.301 -1.231 2.510 31 HB THR 4 HB THR 4 0.536 -0.792 3.489 32 HG1 THR 4 HG1 THR 4 -0.156 -2.128 4.987 33 HG21 THR 4 3HG2 THR 4 -0.591 1.349 3.116 34 HG22 THR 4 1HG2 THR 4 -0.418 1.032 4.842 35 HG23 THR 4 2HG2 THR 4 -1.978 0.792 4.054 36 H VAL 5 H VAL 5 -2.813 -0.354 0.570 37 HA VAL 5 HA VAL 5 -0.676 0.803 -1.083 38 HB VAL 5 HB VAL 5 -3.546 0.207 -1.846 39 HG11 VAL 5 1HG1 VAL 5 -1.176 1.001 -3.548 40 HG12 VAL 5 2HG1 VAL 5 -2.592 1.992 -3.199 41 HG13 VAL 5 3HG1 VAL 5 -2.761 0.524 -4.161 42 HG21 VAL 5 3HG2 VAL 5 -1.025 -1.344 -2.461 43 HG22 VAL 5 1HG2 VAL 5 -2.636 -1.698 -3.089 44 HG23 VAL 5 2HG2 VAL 5 -2.311 -1.846 -1.361 45 H ASN 6 H ASN 6 -0.398 2.931 -1.145 46 HA ASN 6 HA ASN 6 -0.729 5.179 -0.993 47 HB2 ASN 6 2HB ASN 6 -3.621 4.398 -1.420 48 HB3 ASN 6 1HB ASN 6 -3.086 6.070 -1.310 49 HD21 ASN 6 1HD2 ASN 6 -1.307 3.470 -2.874 50 HD22 ASN 6 2HD2 ASN 6 -1.464 4.099 -4.471 51 H GLY 7 H GLY 7 -0.771 3.452 1.405 52 HA2 GLY 7 2HA GLY 7 -0.882 3.881 3.685 53 HA3 GLY 7 1HA GLY 7 -1.723 5.384 3.340 54 H LYS 8 H LYS 8 -3.237 2.871 1.719 55 HA LYS 8 HA LYS 8 -5.193 2.480 3.900 56 HB2 LYS 8 2HB LYS 8 -5.638 2.776 0.926 57 HB3 LYS 8 1HB LYS 8 -6.858 2.091 1.987 58 HG2 LYS 8 2HG LYS 8 -7.434 4.358 1.676 59 HG3 LYS 8 1HG LYS 8 -6.775 4.232 3.305 60 HD2 LYS 8 2HD LYS 8 -4.618 5.090 2.487 61 HD3 LYS 8 1HD LYS 8 -5.290 5.225 0.863 62 HE2 LYS 8 2HE LYS 8 -5.275 7.388 2.026 63 HE3 LYS 8 1HE LYS 8 -6.916 6.862 1.651 64 HZ1 LYS 8 3HZ LYS 8 -7.206 6.160 3.916 65 HZ2 LYS 8 1HZ LYS 8 -6.682 7.765 3.909 66 HZ3 LYS 8 2HZ LYS 8 -5.600 6.526 4.297 67 HA PRO 9 HA PRO 9 -4.064 -1.858 3.580 68 HB2 PRO 9 2HB PRO 9 -6.710 -2.234 4.900 69 HB3 PRO 9 1HB PRO 9 -5.116 -2.826 5.382 70 HG2 PRO 9 2HG PRO 9 -6.270 -0.803 6.684 71 HG3 PRO 9 1HG PRO 9 -4.523 -0.816 6.378 72 HD2 PRO 9 2HD PRO 9 -6.683 0.724 4.976 73 HD3 PRO 9 1HD PRO 9 -5.040 1.235 5.422 74 H SER 10 H SER 10 -4.261 -2.208 1.376 75 HA SER 10 HA SER 10 -6.961 -2.786 0.316 76 HB2 SER 10 2HB SER 10 -4.498 -1.917 -1.225 77 HB3 SER 10 1HB SER 10 -6.097 -2.214 -1.906 78 HG SER 10 HG SER 10 -5.612 -0.286 0.120 79 H THR 11 H THR 11 -7.332 -4.893 0.028 80 HA THR 11 HA THR 11 -5.086 -6.741 -0.375 81 HB THR 11 HB THR 11 -8.003 -7.301 0.235 82 HG1 THR 11 HG1 THR 11 -6.763 -8.219 2.186 83 HG21 THR 11 3HG2 THR 11 -7.286 -9.640 0.562 84 HG22 THR 11 1HG2 THR 11 -5.680 -9.222 -0.034 85 HG23 THR 11 2HG2 THR 11 -7.077 -9.114 -1.106 86 H VAL 12 H VAL 12 -4.523 -7.117 -2.428 87 HA VAL 12 HA VAL 12 -6.560 -7.130 -4.530 88 HB VAL 12 HB VAL 12 -4.603 -7.423 -6.089 89 HG11 VAL 12 1HG1 VAL 12 -4.534 -5.015 -4.257 90 HG12 VAL 12 2HG1 VAL 12 -5.585 -5.227 -5.658 91 HG13 VAL 12 3HG1 VAL 12 -3.840 -5.096 -5.877 92 HG21 VAL 12 3HG2 VAL 12 -3.016 -8.440 -4.538 93 HG22 VAL 12 1HG2 VAL 12 -2.993 -6.966 -3.566 94 HG23 VAL 12 2HG2 VAL 12 -2.351 -6.952 -5.210 95 H ASP 13 H ASP 13 -7.473 -8.943 -5.220 96 HA ASP 13 HA ASP 13 -6.808 -11.428 -3.919 97 HB2 ASP 13 2HB ASP 13 -9.150 -10.518 -4.359 98 HB3 ASP 13 1HB ASP 13 -8.922 -11.003 -6.038 99 H GLY 14 H GLY 14 -6.452 -13.468 -5.000 100 HA2 GLY 14 2HA GLY 14 -5.681 -14.867 -6.682 101 HA3 GLY 14 1HA GLY 14 -5.790 -13.530 -7.814 102 H ALA 15 H ALA 15 -4.094 -11.677 -6.627 103 HA ALA 15 HA ALA 15 -1.548 -12.598 -7.463 104 HB1 ALA 15 3HB ALA 15 -0.729 -10.417 -6.743 105 HB2 ALA 15 1HB ALA 15 -2.241 -10.121 -5.880 106 HB3 ALA 15 2HB ALA 15 -2.239 -10.256 -7.639 107 H GLU 16 H GLU 16 -0.217 -13.903 -6.381 108 HA GLU 16 HA GLU 16 -0.225 -13.882 -3.430 109 HB2 GLU 16 2HB GLU 16 -0.781 -16.019 -4.639 110 HB3 GLU 16 1HB GLU 16 0.850 -16.025 -5.286 111 HG2 GLU 16 2HG GLU 16 0.309 -16.001 -2.328 112 HG3 GLU 16 1HG GLU 16 0.347 -17.496 -3.256 113 H SER 17 H SER 17 2.094 -14.298 -6.147 114 HA SER 17 HA SER 17 3.981 -12.540 -4.744 115 HB2 SER 17 2HB SER 17 4.637 -15.345 -5.662 116 HB3 SER 17 1HB SER 17 5.879 -14.124 -5.389 117 HG SER 17 HG SER 17 3.963 -14.796 -3.403 118 H LEU 18 H LEU 18 4.631 -11.001 -6.083 119 HA LEU 18 HA LEU 18 5.603 -11.628 -8.724 120 HB2 LEU 18 2HB LEU 18 4.153 -9.854 -9.821 121 HB3 LEU 18 1HB LEU 18 3.384 -11.379 -9.443 122 HG LEU 18 HG LEU 18 2.450 -10.259 -7.354 123 HD11 LEU 18 1HD1 LEU 18 3.927 -8.345 -7.215 124 HD12 LEU 18 2HD1 LEU 18 2.260 -7.808 -7.408 125 HD13 LEU 18 3HD1 LEU 18 3.364 -7.760 -8.784 126 HD21 LEU 18 3HD2 LEU 18 0.617 -9.187 -8.589 127 HD22 LEU 18 1HD2 LEU 18 1.078 -10.731 -9.308 128 HD23 LEU 18 2HD2 LEU 18 1.589 -9.221 -10.060 129 H ASN 19 H ASN 19 6.700 -9.761 -9.750 130 HA ASN 19 HA ASN 19 7.885 -8.044 -7.719 131 HB2 ASN 19 2HB ASN 19 9.455 -7.342 -9.487 132 HB3 ASN 19 1HB ASN 19 9.409 -9.087 -9.283 133 HD21 ASN 19 1HD2 ASN 19 10.215 -9.448 -11.321 134 HD22 ASN 19 2HD2 ASN 19 9.294 -9.176 -12.756 135 H VAL 20 H VAL 20 8.342 -5.679 -8.416 136 HA VAL 20 HA VAL 20 5.816 -4.403 -8.435 137 HB VAL 20 HB VAL 20 8.444 -3.032 -9.009 138 HG11 VAL 20 1HG1 VAL 20 5.902 -2.049 -7.698 139 HG12 VAL 20 2HG1 VAL 20 6.471 -1.633 -9.315 140 HG13 VAL 20 3HG1 VAL 20 7.384 -1.110 -7.899 141 HG21 VAL 20 3HG2 VAL 20 8.747 -4.442 -7.046 142 HG22 VAL 20 1HG2 VAL 20 7.293 -3.763 -6.310 143 HG23 VAL 20 2HG2 VAL 20 8.706 -2.741 -6.583 144 H THR 21 H THR 21 8.109 -5.106 -11.008 145 HA THR 21 HA THR 21 7.056 -3.464 -13.039 146 HB THR 21 HB THR 21 8.379 -6.181 -13.283 147 HG1 THR 21 HG1 THR 21 10.193 -4.818 -13.880 148 HG21 THR 21 3HG2 THR 21 7.866 -4.109 -15.431 149 HG22 THR 21 1HG2 THR 21 7.095 -5.692 -15.313 150 HG23 THR 21 2HG2 THR 21 8.827 -5.575 -15.625 151 H GLU 22 H GLU 22 6.140 -6.767 -12.051 152 HA GLU 22 HA GLU 22 4.137 -7.162 -14.005 153 HB2 GLU 22 2HB GLU 22 4.538 -8.366 -11.261 154 HB3 GLU 22 1HB GLU 22 3.228 -8.858 -12.326 155 HG2 GLU 22 2HG GLU 22 6.174 -9.067 -12.936 156 HG3 GLU 22 1HG GLU 22 5.114 -10.393 -12.459 157 H LEU 23 H LEU 23 3.895 -6.019 -10.631 158 HA LEU 23 HA LEU 23 1.168 -5.455 -10.573 159 HB2 LEU 23 2HB LEU 23 2.654 -5.369 -8.609 160 HB3 LEU 23 1HB LEU 23 3.413 -3.924 -9.245 161 HG LEU 23 HG LEU 23 1.263 -2.711 -9.026 162 HD11 LEU 23 1HD1 LEU 23 -0.249 -4.623 -9.249 163 HD12 LEU 23 2HD1 LEU 23 -0.578 -3.709 -7.780 164 HD13 LEU 23 3HD1 LEU 23 0.292 -5.241 -7.686 165 HD21 LEU 23 3HD2 LEU 23 2.912 -2.593 -7.229 166 HD22 LEU 23 1HD2 LEU 23 2.232 -4.041 -6.487 167 HD23 LEU 23 2HD2 LEU 23 1.275 -2.561 -6.574 168 H LEU 24 H LEU 24 3.852 -3.401 -11.659 169 HA LEU 24 HA LEU 24 2.380 -1.133 -12.415 170 HB2 LEU 24 2HB LEU 24 4.856 -1.290 -12.163 171 HB3 LEU 24 1HB LEU 24 4.930 -2.225 -13.639 172 HG LEU 24 HG LEU 24 3.824 0.585 -13.619 173 HD11 LEU 24 1HD1 LEU 24 6.066 0.666 -12.630 174 HD12 LEU 24 2HD1 LEU 24 6.034 1.404 -14.230 175 HD13 LEU 24 3HD1 LEU 24 6.711 -0.212 -14.019 176 HD21 LEU 24 3HD2 LEU 24 4.537 0.555 -15.977 177 HD22 LEU 24 1HD2 LEU 24 3.373 -0.721 -15.628 178 HD23 LEU 24 2HD2 LEU 24 5.086 -1.110 -15.783 179 H SER 25 H SER 25 3.238 -4.060 -14.227 180 HA SER 25 HA SER 25 2.026 -3.196 -16.679 181 HB2 SER 25 2HB SER 25 2.873 -5.975 -15.808 182 HB3 SER 25 1HB SER 25 2.439 -5.504 -17.452 183 HG SER 25 HG SER 25 4.743 -4.954 -15.977 184 H ALA 26 H ALA 26 0.810 -4.622 -13.807 185 HA ALA 26 HA ALA 26 -1.506 -5.884 -14.906 186 HB1 ALA 26 3HB ALA 26 -2.294 -6.023 -12.608 187 HB2 ALA 26 1HB ALA 26 -1.048 -4.885 -12.092 188 HB3 ALA 26 2HB ALA 26 -0.591 -6.476 -12.697 189 H LEU 27 H LEU 27 -0.999 -2.745 -13.275 190 HA LEU 27 HA LEU 27 -3.673 -1.874 -14.020 191 HB2 LEU 27 2HB LEU 27 -3.008 0.252 -12.822 192 HB3 LEU 27 1HB LEU 27 -3.082 -1.205 -11.854 193 HG LEU 27 HG LEU 27 -0.539 -1.345 -12.133 194 HD11 LEU 27 1HD1 LEU 27 -0.896 1.532 -12.981 195 HD12 LEU 27 2HD1 LEU 27 -0.279 0.217 -13.983 196 HD13 LEU 27 3HD1 LEU 27 0.634 0.751 -12.574 197 HD21 LEU 27 3HD2 LEU 27 -1.599 -0.729 -10.041 198 HD22 LEU 27 1HD2 LEU 27 -1.741 0.947 -10.576 199 HD23 LEU 27 2HD2 LEU 27 -0.148 0.240 -10.297 200 H LYS 28 H LYS 28 -0.513 -1.670 -15.288 201 HA LYS 28 HA LYS 28 0.363 -0.779 -17.165 202 HB2 LYS 28 2HB LYS 28 -2.550 -0.488 -17.924 203 HB3 LYS 28 1HB LYS 28 -1.210 -0.223 -19.034 204 HG2 LYS 28 2HG LYS 28 -0.486 -2.537 -18.726 205 HG3 LYS 28 1HG LYS 28 -1.828 -2.809 -17.613 206 HD2 LYS 28 2HD LYS 28 -2.144 -1.975 -20.504 207 HD3 LYS 28 1HD LYS 28 -2.243 -3.640 -19.931 208 HE2 LYS 28 2HE LYS 28 -4.134 -2.976 -18.462 209 HE3 LYS 28 1HE LYS 28 -4.063 -1.353 -19.152 210 HZ1 LYS 28 3HZ LYS 28 -5.760 -2.758 -20.200 211 HZ2 LYS 28 1HZ LYS 28 -4.562 -3.837 -20.707 212 HZ3 LYS 28 2HZ LYS 28 -4.587 -2.256 -21.309 213 H VAL 29 H VAL 29 1.307 0.985 -16.037 214 HA VAL 29 HA VAL 29 -0.001 3.584 -16.539 215 HB VAL 29 HB VAL 29 0.429 3.228 -14.167 216 HG11 VAL 29 1HG1 VAL 29 3.350 2.963 -14.887 217 HG12 VAL 29 2HG1 VAL 29 2.298 1.653 -14.356 218 HG13 VAL 29 3HG1 VAL 29 2.673 2.979 -13.257 219 HG21 VAL 29 3HG2 VAL 29 1.727 5.257 -13.694 220 HG22 VAL 29 1HG2 VAL 29 0.588 5.502 -15.018 221 HG23 VAL 29 2HG2 VAL 29 2.304 5.276 -15.361 222 H ALA 30 H ALA 30 0.758 4.669 -18.218 223 HA ALA 30 HA ALA 30 3.010 3.919 -19.725 224 HB1 ALA 30 3HB ALA 30 2.610 5.954 -21.019 225 HB2 ALA 30 1HB ALA 30 1.527 6.551 -19.761 226 HB3 ALA 30 2HB ALA 30 1.099 5.109 -20.681 227 H GLN 31 H GLN 31 2.721 6.057 -17.022 228 HA GLN 31 HA GLN 31 5.175 7.500 -17.562 229 HB2 GLN 31 2HB GLN 31 3.305 7.589 -15.180 230 HB3 GLN 31 1HB GLN 31 4.670 8.669 -15.432 231 HG2 GLN 31 2HG GLN 31 2.954 9.974 -16.193 232 HG3 GLN 31 1HG GLN 31 3.460 9.205 -17.692 233 HE21 GLN 31 1HE2 GLN 31 0.903 10.372 -17.068 234 HE22 GLN 31 2HE2 GLN 31 -0.274 9.121 -17.211 235 H ALA 32 H ALA 32 5.626 4.737 -17.327 236 HA ALA 32 HA ALA 32 6.410 3.792 -14.820 237 HB1 ALA 32 3HB ALA 32 7.632 3.124 -17.500 238 HB2 ALA 32 1HB ALA 32 6.208 2.363 -16.790 239 HB3 ALA 32 2HB ALA 32 7.784 2.172 -16.022 240 H GLU 33 H GLU 33 8.061 5.967 -16.989 241 HA GLU 33 HA GLU 33 10.616 5.905 -15.753 242 HB2 GLU 33 2HB GLU 33 10.344 6.772 -17.997 243 HB3 GLU 33 1HB GLU 33 9.231 8.010 -17.434 244 HG2 GLU 33 2HG GLU 33 11.419 8.948 -17.933 245 HG3 GLU 33 1HG GLU 33 11.036 9.107 -16.221 246 H TYR 34 H TYR 34 7.663 7.692 -15.074 247 HA TYR 34 HA TYR 34 9.070 9.506 -13.238 248 HB2 TYR 34 2HB TYR 34 6.190 9.672 -14.147 249 HB3 TYR 34 1HB TYR 34 7.155 10.941 -13.398 250 HD1 TYR 34 HD2 TYR 34 8.840 12.158 -14.709 251 HD2 TYR 34 HD1 TYR 34 6.424 9.145 -16.500 252 HE1 TYR 34 HE2 TYR 34 9.478 12.977 -16.937 253 HE2 TYR 34 HE1 TYR 34 7.054 9.954 -18.731 254 HH TYR 34 HH TYR 34 9.612 12.136 -19.246 255 H VAL 35 H VAL 35 7.133 6.704 -13.128 256 HA VAL 35 HA VAL 35 5.308 7.206 -11.103 257 HB VAL 35 HB VAL 35 5.120 5.234 -12.484 258 HG11 VAL 35 1HG1 VAL 35 7.503 4.718 -12.746 259 HG12 VAL 35 2HG1 VAL 35 6.579 3.298 -12.255 260 HG13 VAL 35 3HG1 VAL 35 7.565 4.161 -11.073 261 HG21 VAL 35 3HG2 VAL 35 5.497 4.475 -9.585 262 HG22 VAL 35 1HG2 VAL 35 4.568 3.568 -10.779 263 HG23 VAL 35 2HG2 VAL 35 4.042 5.180 -10.292 264 H THR 36 H THR 36 5.661 7.905 -9.113 265 HA THR 36 HA THR 36 8.081 7.136 -7.663 266 HB THR 36 HB THR 36 5.907 9.077 -6.831 267 HG1 THR 36 HG1 THR 36 8.157 9.341 -8.457 268 HG21 THR 36 3HG2 THR 36 7.181 8.228 -4.927 269 HG22 THR 36 1HG2 THR 36 7.591 9.914 -5.236 270 HG23 THR 36 2HG2 THR 36 8.695 8.633 -5.737 271 H VAL 37 H VAL 37 7.912 5.196 -6.684 272 HA VAL 37 HA VAL 37 5.765 4.836 -4.710 273 HB VAL 37 HB VAL 37 5.548 2.425 -5.295 274 HG11 VAL 37 1HG1 VAL 37 3.890 4.025 -6.120 275 HG12 VAL 37 2HG1 VAL 37 4.140 2.715 -7.275 276 HG13 VAL 37 3HG1 VAL 37 4.862 4.298 -7.567 277 HG21 VAL 37 3HG2 VAL 37 7.179 3.160 -7.736 278 HG22 VAL 37 1HG2 VAL 37 6.363 1.618 -7.473 279 HG23 VAL 37 2HG2 VAL 37 7.693 2.103 -6.421 280 H GLU 38 H GLU 38 6.371 3.665 -2.865 281 HA GLU 38 HA GLU 38 9.096 2.536 -2.831 282 HB2 GLU 38 2HB GLU 38 9.539 3.456 -0.637 283 HB3 GLU 38 1HB GLU 38 9.155 4.757 -1.751 284 HG2 GLU 38 2HG GLU 38 7.142 3.573 0.156 285 HG3 GLU 38 1HG GLU 38 8.173 4.943 0.561 286 H LEU 39 H LEU 39 9.307 0.596 -1.839 287 HA LEU 39 HA LEU 39 6.948 -0.693 -0.751 288 HB2 LEU 39 2HB LEU 39 9.673 -1.560 -1.560 289 HB3 LEU 39 1HB LEU 39 8.895 -2.510 -0.310 290 HG LEU 39 HG LEU 39 8.543 -3.485 -2.530 291 HD11 LEU 39 1HD1 LEU 39 6.831 -3.787 -0.792 292 HD12 LEU 39 2HD1 LEU 39 6.133 -3.773 -2.411 293 HD13 LEU 39 3HD1 LEU 39 5.990 -2.350 -1.376 294 HD21 LEU 39 3HD2 LEU 39 8.630 -1.458 -3.879 295 HD22 LEU 39 1HD2 LEU 39 7.108 -0.904 -3.178 296 HD23 LEU 39 2HD2 LEU 39 7.140 -2.348 -4.190 297 H ASN 40 H ASN 40 6.369 -0.103 1.214 298 HA ASN 40 HA ASN 40 6.329 0.207 3.451 299 HB2 ASN 40 2HB ASN 40 8.933 -1.328 3.541 300 HB3 ASN 40 1HB ASN 40 7.762 -1.138 4.841 301 HD21 ASN 40 1HD2 ASN 40 8.645 -2.906 2.062 302 HD22 ASN 40 2HD2 ASN 40 7.336 -4.034 2.084 303 H GLY 41 H GLY 41 8.222 1.926 1.601 304 HA2 GLY 41 2HA GLY 41 8.736 4.168 2.604 305 HA3 GLY 41 1HA GLY 41 9.628 3.292 3.832 306 H GLU 42 H GLU 42 10.385 1.524 1.262 307 HA GLU 42 HA GLU 42 12.776 3.137 0.653 308 HB2 GLU 42 2HB GLU 42 12.276 0.178 0.248 309 HB3 GLU 42 1HB GLU 42 13.787 1.014 -0.092 310 HG2 GLU 42 2HG GLU 42 13.959 1.611 2.297 311 HG3 GLU 42 1HG GLU 42 12.488 0.691 2.609 312 H VAL 43 H VAL 43 12.744 4.250 -1.182 313 HA VAL 43 HA VAL 43 10.844 3.878 -3.247 314 HB VAL 43 HB VAL 43 11.882 6.062 -2.727 315 HG11 VAL 43 1HG1 VAL 43 14.166 5.368 -2.320 316 HG12 VAL 43 2HG1 VAL 43 14.132 6.589 -3.593 317 HG13 VAL 43 3HG1 VAL 43 14.353 4.889 -4.007 318 HG21 VAL 43 3HG2 VAL 43 12.152 6.837 -5.048 319 HG22 VAL 43 1HG2 VAL 43 10.773 5.750 -4.881 320 HG23 VAL 43 2HG2 VAL 43 12.276 5.162 -5.591 321 H LEU 44 H LEU 44 11.105 3.217 -5.422 322 HA LEU 44 HA LEU 44 13.169 1.153 -5.767 323 HB2 LEU 44 2HB LEU 44 10.524 1.588 -7.161 324 HB3 LEU 44 1HB LEU 44 11.681 0.369 -7.651 325 HG LEU 44 HG LEU 44 9.955 -0.682 -6.356 326 HD11 LEU 44 1HD1 LEU 44 11.258 -1.700 -4.547 327 HD12 LEU 44 2HD1 LEU 44 12.488 -0.449 -4.738 328 HD13 LEU 44 3HD1 LEU 44 12.175 -1.586 -6.050 329 HD21 LEU 44 3HD2 LEU 44 9.128 1.243 -5.131 330 HD22 LEU 44 1HD2 LEU 44 10.603 1.291 -4.164 331 HD23 LEU 44 2HD2 LEU 44 9.499 -0.077 -4.024 332 H GLU 45 H GLU 45 14.587 1.121 -7.440 333 HA GLU 45 HA GLU 45 14.692 3.378 -9.302 334 HB2 GLU 45 2HB GLU 45 16.734 2.579 -8.116 335 HB3 GLU 45 1HB GLU 45 16.576 1.025 -8.919 336 HG2 GLU 45 2HG GLU 45 16.757 3.456 -10.628 337 HG3 GLU 45 1HG GLU 45 18.210 2.930 -9.784 338 H ARG 46 H ARG 46 14.893 2.926 -11.679 339 HA ARG 46 HA ARG 46 12.723 1.724 -12.768 340 HB2 ARG 46 2HB ARG 46 15.451 1.791 -14.080 341 HB3 ARG 46 1HB ARG 46 13.922 1.584 -14.922 342 HG2 ARG 46 2HG ARG 46 13.233 3.824 -14.285 343 HG3 ARG 46 1HG ARG 46 14.712 4.031 -13.343 344 HD2 ARG 46 2HD ARG 46 16.037 3.741 -15.419 345 HD3 ARG 46 1HD ARG 46 14.535 3.625 -16.337 346 HE ARG 46 HE ARG 46 14.087 5.939 -15.700 347 HH11 ARG 46 1HH1 ARG 46 17.337 4.804 -15.399 348 HH12 ARG 46 2HH1 ARG 46 17.996 6.400 -15.401 349 HH21 ARG 46 1HH2 ARG 46 14.961 7.950 -15.746 350 HH22 ARG 46 2HH2 ARG 46 16.673 8.161 -15.622 351 H GLU 47 H GLU 47 15.897 0.082 -12.566 352 HA GLU 47 HA GLU 47 14.800 -2.419 -13.511 353 HB2 GLU 47 2HB GLU 47 17.528 -1.748 -12.391 354 HB3 GLU 47 1HB GLU 47 17.093 -3.282 -13.139 355 HG2 GLU 47 2HG GLU 47 16.688 -2.187 -15.250 356 HG3 GLU 47 1HG GLU 47 16.966 -0.605 -14.522 357 H ALA 48 H ALA 48 15.052 -0.955 -10.438 358 HA ALA 48 HA ALA 48 15.222 -3.311 -8.835 359 HB1 ALA 48 3HB ALA 48 14.550 -1.877 -6.976 360 HB2 ALA 48 1HB ALA 48 14.104 -0.598 -8.108 361 HB3 ALA 48 2HB ALA 48 15.790 -1.093 -7.955 362 H PHE 49 H PHE 49 12.634 -1.733 -10.532 363 HA PHE 49 HA PHE 49 10.382 -2.733 -9.205 364 HB2 PHE 49 2HB PHE 49 10.861 -2.108 -12.125 365 HB3 PHE 49 1HB PHE 49 9.290 -2.626 -11.524 366 HD1 PHE 49 HD2 PHE 49 11.905 -0.018 -10.963 367 HD2 PHE 49 HD1 PHE 49 7.773 -1.035 -10.776 368 HE1 PHE 49 HE2 PHE 49 11.357 2.311 -10.389 369 HE2 PHE 49 HE1 PHE 49 7.223 1.289 -10.205 370 HZ PHE 49 HZ PHE 49 9.016 2.970 -10.011 371 H ASP 50 H ASP 50 12.473 -4.292 -11.600 372 HA ASP 50 HA ASP 50 10.901 -6.692 -11.774 373 HB2 ASP 50 2HB ASP 50 13.753 -6.118 -12.629 374 HB3 ASP 50 1HB ASP 50 12.866 -7.590 -13.017 375 H ALA 51 H ALA 51 13.698 -5.662 -9.905 376 HA ALA 51 HA ALA 51 14.400 -8.262 -8.946 377 HB1 ALA 51 3HB ALA 51 15.967 -7.104 -7.494 378 HB2 ALA 51 1HB ALA 51 15.185 -5.560 -7.841 379 HB3 ALA 51 2HB ALA 51 16.030 -6.431 -9.123 380 H THR 52 H THR 52 12.923 -5.458 -7.291 381 HA THR 52 HA THR 52 12.463 -6.911 -4.868 382 HB THR 52 HB THR 52 11.394 -4.223 -5.771 383 HG1 THR 52 HG1 THR 52 13.067 -3.594 -4.125 384 HG21 THR 52 3HG2 THR 52 10.932 -3.818 -3.379 385 HG22 THR 52 1HG2 THR 52 11.370 -5.488 -3.020 386 HG23 THR 52 2HG2 THR 52 9.959 -5.141 -4.019 387 H THR 53 H THR 53 10.792 -8.145 -4.294 388 HA THR 53 HA THR 53 8.451 -8.274 -6.083 389 HB THR 53 HB THR 53 8.056 -10.537 -5.149 390 HG1 THR 53 HG1 THR 53 9.051 -10.443 -3.150 391 HG21 THR 53 3HG2 THR 53 9.343 -10.320 -7.211 392 HG22 THR 53 1HG2 THR 53 9.965 -11.653 -6.238 393 HG23 THR 53 2HG2 THR 53 10.830 -10.117 -6.282 394 H VAL 54 H VAL 54 6.416 -8.017 -5.341 395 HA VAL 54 HA VAL 54 6.058 -7.113 -2.573 396 HB VAL 54 HB VAL 54 4.075 -7.049 -4.868 397 HG11 VAL 54 1HG1 VAL 54 2.880 -5.403 -3.487 398 HG12 VAL 54 2HG1 VAL 54 4.050 -5.650 -2.190 399 HG13 VAL 54 3HG1 VAL 54 2.998 -6.973 -2.690 400 HG21 VAL 54 3HG2 VAL 54 6.016 -5.685 -5.411 401 HG22 VAL 54 1HG2 VAL 54 5.908 -4.867 -3.852 402 HG23 VAL 54 2HG2 VAL 54 4.630 -4.655 -5.051 403 H LYS 55 H LYS 55 5.048 -8.322 -1.051 404 HA LYS 55 HA LYS 55 3.370 -10.589 -1.894 405 HB2 LYS 55 2HB LYS 55 5.651 -10.704 0.087 406 HB3 LYS 55 1HB LYS 55 4.412 -11.948 -0.032 407 HG2 LYS 55 2HG LYS 55 5.072 -12.396 -2.343 408 HG3 LYS 55 1HG LYS 55 6.300 -11.131 -2.241 409 HD2 LYS 55 2HD LYS 55 7.431 -12.374 -0.455 410 HD3 LYS 55 1HD LYS 55 6.200 -13.636 -0.549 411 HE2 LYS 55 2HE LYS 55 6.865 -14.171 -2.813 412 HE3 LYS 55 1HE LYS 55 8.008 -12.828 -2.826 413 HZ1 LYS 55 3HZ LYS 55 9.271 -13.906 -1.101 414 HZ2 LYS 55 1HZ LYS 55 9.095 -14.956 -2.414 415 HZ3 LYS 55 2HZ LYS 55 8.162 -15.175 -1.024 416 H ASP 56 H ASP 56 2.486 -11.639 0.314 417 HA ASP 56 HA ASP 56 0.522 -9.875 1.195 418 HB2 ASP 56 2HB ASP 56 0.361 -12.352 1.215 419 HB3 ASP 56 1HB ASP 56 1.477 -12.397 2.573 420 H GLY 57 H GLY 57 1.080 -7.986 2.212 421 HA2 GLY 57 2HA GLY 57 1.166 -7.243 4.594 422 HA3 GLY 57 1HA GLY 57 2.608 -8.229 4.747 423 H ASP 58 H ASP 58 2.638 -6.761 1.734 424 HA ASP 58 HA ASP 58 4.641 -4.849 2.654 425 HB2 ASP 58 2HB ASP 58 3.903 -5.968 -0.039 426 HB3 ASP 58 1HB ASP 58 4.918 -4.539 0.092 427 H ALA 59 H ALA 59 4.587 -2.662 2.341 428 HA ALA 59 HA ALA 59 1.985 -1.475 1.627 429 HB1 ALA 59 3HB ALA 59 4.317 -0.278 3.133 430 HB2 ALA 59 1HB ALA 59 2.836 -0.915 3.848 431 HB3 ALA 59 2HB ALA 59 2.773 0.518 2.822 432 H VAL 60 H VAL 60 1.765 -0.243 -0.166 433 HA VAL 60 HA VAL 60 4.127 0.977 -1.391 434 HB VAL 60 HB VAL 60 3.981 -1.143 -2.560 435 HG11 VAL 60 1HG1 VAL 60 1.133 -0.399 -3.238 436 HG12 VAL 60 2HG1 VAL 60 1.643 -1.683 -2.141 437 HG13 VAL 60 3HG1 VAL 60 2.011 -1.796 -3.862 438 HG21 VAL 60 3HG2 VAL 60 3.760 -0.342 -4.869 439 HG22 VAL 60 1HG2 VAL 60 4.644 0.810 -3.866 440 HG23 VAL 60 2HG2 VAL 60 2.958 1.118 -4.288 441 H GLU 61 H GLU 61 3.675 3.066 -1.706 442 HA GLU 61 HA GLU 61 0.869 3.880 -1.996 443 HB2 GLU 61 2HB GLU 61 2.170 4.816 -0.114 444 HB3 GLU 61 1HB GLU 61 3.277 5.557 -1.264 445 HG2 GLU 61 2HG GLU 61 1.655 7.078 -2.012 446 HG3 GLU 61 1HG GLU 61 0.335 6.153 -1.303 447 H PHE 62 H PHE 62 0.444 3.681 -4.148 448 HA PHE 62 HA PHE 62 2.172 4.752 -6.189 449 HB2 PHE 62 2HB PHE 62 0.538 2.777 -6.416 450 HB3 PHE 62 1HB PHE 62 -0.734 3.985 -6.540 451 HD1 PHE 62 HD2 PHE 62 -0.675 5.621 -8.467 452 HD2 PHE 62 HD1 PHE 62 1.896 2.229 -8.259 453 HE1 PHE 62 HE2 PHE 62 -0.240 5.802 -10.884 454 HE2 PHE 62 HE1 PHE 62 2.332 2.407 -10.672 455 HZ PHE 62 HZ PHE 62 1.265 4.194 -11.987 456 H LEU 63 H LEU 63 2.441 6.941 -5.817 457 HA LEU 63 HA LEU 63 0.416 8.708 -4.985 458 HB2 LEU 63 2HB LEU 63 3.057 9.246 -6.339 459 HB3 LEU 63 1HB LEU 63 2.025 10.504 -5.679 460 HG LEU 63 HG LEU 63 3.308 8.273 -4.083 461 HD11 LEU 63 1HD1 LEU 63 4.697 10.054 -3.128 462 HD12 LEU 63 2HD1 LEU 63 3.963 11.219 -4.231 463 HD13 LEU 63 3HD1 LEU 63 4.946 9.899 -4.867 464 HD21 LEU 63 3HD2 LEU 63 1.669 10.648 -3.177 465 HD22 LEU 63 1HD2 LEU 63 2.505 9.506 -2.122 466 HD23 LEU 63 2HD2 LEU 63 1.168 8.957 -3.130 467 H TYR 64 H TYR 64 -1.028 9.952 -5.994 468 HA TYR 64 HA TYR 64 -1.493 9.672 -8.836 469 HB2 TYR 64 2HB TYR 64 -3.517 11.011 -8.396 470 HB3 TYR 64 1HB TYR 64 -3.379 9.673 -7.260 471 HD1 TYR 64 HD1 TYR 64 -2.696 10.123 -4.893 472 HD2 TYR 64 HD2 TYR 64 -3.479 13.285 -7.641 473 HE1 TYR 64 HE1 TYR 64 -2.869 11.702 -3.021 474 HE2 TYR 64 HE2 TYR 64 -3.650 14.870 -5.771 475 HH TYR 64 HH TYR 64 -4.143 14.810 -3.343 476 H PHE 65 H PHE 65 0.886 11.247 -7.709 477 HA PHE 65 HA PHE 65 0.583 13.994 -7.995 478 HB2 PHE 65 2HB PHE 65 2.991 14.122 -8.194 479 HB3 PHE 65 1HB PHE 65 2.592 12.848 -7.049 480 HD1 PHE 65 HD2 PHE 65 2.559 10.431 -7.949 481 HD2 PHE 65 HD1 PHE 65 4.415 13.681 -9.992 482 HE1 PHE 65 HE2 PHE 65 3.916 8.841 -9.244 483 HE2 PHE 65 HE1 PHE 65 5.769 12.091 -11.288 484 HZ PHE 65 HZ PHE 65 5.521 9.671 -10.917 485 H MET 66 H MET 66 0.990 11.547 -10.455 486 HA MET 66 HA MET 66 1.166 13.577 -12.576 487 HB2 MET 66 2HB MET 66 2.872 11.819 -12.634 488 HB3 MET 66 1HB MET 66 1.623 10.582 -12.670 489 HG2 MET 66 2HG MET 66 2.540 10.903 -14.877 490 HG3 MET 66 1HG MET 66 0.859 11.435 -14.841 491 HE1 MET 66 3HE MET 66 2.674 12.230 -17.257 492 HE2 MET 66 1HE MET 66 2.305 13.948 -17.411 493 HE3 MET 66 2HE MET 66 1.018 12.798 -17.047 494 H GLY 67 H GLY 67 -0.692 14.158 -13.530 495 HA2 GLY 67 2HA GLY 67 -2.448 13.155 -15.056 496 HA3 GLY 67 1HA GLY 67 -2.900 12.184 -13.665 497 H GLY 68 H GLY 68 -1.966 15.361 -12.833 498 HA2 GLY 68 2HA GLY 68 -3.146 17.310 -12.411 499 HA3 GLY 68 1HA GLY 68 -4.498 16.646 -13.308 500 H GLY 69 H GLY 69 -4.288 14.221 -11.379 501 HA2 GLY 69 2HA GLY 69 -5.040 13.584 -9.289 502 HA3 GLY 69 1HA GLY 69 -4.944 15.261 -8.782 503 H LYS 70 H LYS 70 -6.808 15.031 -11.582 504 HA LYS 70 HA LYS 70 -9.228 15.475 -10.017 505 HB2 LYS 70 2HB LYS 70 -8.740 17.076 -11.779 506 HB3 LYS 70 1HB LYS 70 -8.706 15.788 -12.977 507 HG2 LYS 70 2HG LYS 70 -11.143 15.334 -12.266 508 HG3 LYS 70 1HG LYS 70 -11.066 16.923 -11.503 509 HD2 LYS 70 2HD LYS 70 -12.030 17.021 -13.765 510 HD3 LYS 70 1HD LYS 70 -10.532 17.951 -13.644 511 HE2 LYS 70 2HE LYS 70 -10.721 16.577 -15.723 512 HE3 LYS 70 1HE LYS 70 -9.292 16.221 -14.755 513 HZ1 LYS 70 3HZ LYS 70 -11.801 14.621 -14.840 514 HZ2 LYS 70 1HZ LYS 70 -10.476 14.290 -13.840 515 HZ3 LYS 70 2HZ LYS 70 -10.315 14.193 -15.517 516 H LEU 71 H LEU 71 -9.617 13.319 -9.328 517 HA LEU 71 HA LEU 71 -10.815 11.610 -11.415 518 HB2 LEU 71 2HB LEU 71 -10.085 10.976 -8.543 519 HB3 LEU 71 1HB LEU 71 -10.940 9.875 -9.607 520 HG LEU 71 HG LEU 71 -8.915 9.977 -11.146 521 HD11 LEU 71 1HD1 LEU 71 -7.902 12.016 -10.266 522 HD12 LEU 71 2HD1 LEU 71 -6.785 10.658 -10.161 523 HD13 LEU 71 3HD1 LEU 71 -7.624 11.223 -8.716 524 HD21 LEU 71 3HD2 LEU 71 -7.656 8.342 -9.832 525 HD22 LEU 71 1HD2 LEU 71 -9.391 8.058 -9.706 526 HD23 LEU 71 2HD2 LEU 71 -8.526 8.829 -8.376 527 H GLU 72 H GLU 72 -12.998 10.763 -11.026 528 HA GLU 72 HA GLU 72 -14.819 12.744 -10.254 529 HB2 GLU 72 2HB GLU 72 -15.297 9.768 -10.520 530 HB3 GLU 72 1HB GLU 72 -16.563 10.975 -10.370 531 HG2 GLU 72 2HG GLU 72 -16.500 10.584 -12.644 532 HG3 GLU 72 1HG GLU 72 -15.512 12.033 -12.477 533 H HIS 73 H HIS 73 -14.487 13.519 -8.189 534 HA HIS 73 HA HIS 73 -14.721 11.718 -5.908 535 HB2 HIS 73 2HB HIS 73 -14.468 14.740 -6.009 536 HB3 HIS 73 1HB HIS 73 -14.407 13.760 -4.548 537 HD1 HIS 73 HD1 HIS 73 -12.443 11.597 -5.242 538 HD2 HIS 73 HD2 HIS 73 -11.922 15.536 -6.449 539 HE1 HIS 73 HE1 HIS 73 -9.984 11.847 -5.666 540 HE2 HIS 73 HE2 HIS 73 -9.671 14.291 -6.166 541 H HIS 74 H HIS 74 -16.621 11.172 -5.024 542 HA HIS 74 HA HIS 74 -19.052 12.191 -6.146 543 HB2 HIS 74 2HB HIS 74 -18.785 9.824 -5.555 544 HB3 HIS 74 1HB HIS 74 -18.629 10.252 -3.856 545 HD1 HIS 74 HD1 HIS 74 -20.781 10.695 -2.552 546 HD2 HIS 74 HD2 HIS 74 -21.414 10.070 -6.615 547 HE1 HIS 74 HE1 HIS 74 -23.262 10.412 -2.812 548 HE2 HIS 74 HE2 HIS 74 -23.596 9.858 -5.242 549 H HIS 75 H HIS 75 -17.522 12.463 -2.941 550 HA HIS 75 HA HIS 75 -17.846 13.897 -1.198 551 HB2 HIS 75 2HB HIS 75 -17.890 15.628 -3.021 552 HB3 HIS 75 1HB HIS 75 -19.640 15.478 -3.065 553 HD1 HIS 75 HD1 HIS 75 -20.972 16.590 -1.158 554 HD2 HIS 75 HD2 HIS 75 -16.855 17.028 -0.805 555 HE1 HIS 75 HE1 HIS 75 -20.630 18.359 0.586 556 HE2 HIS 75 HE2 HIS 75 -18.144 18.468 0.913 557 H HIS 76 H HIS 76 -19.629 14.688 0.370 558 HA HIS 76 HA HIS 76 -21.831 12.720 0.267 559 HB2 HIS 76 2HB HIS 76 -20.562 14.073 2.662 560 HB3 HIS 76 1HB HIS 76 -21.907 12.938 2.737 561 HD1 HIS 76 HD1 HIS 76 -18.336 13.035 3.013 562 HD2 HIS 76 HD2 HIS 76 -21.103 10.305 1.540 563 HE1 HIS 76 HE1 HIS 76 -17.140 10.830 2.949 564 HE2 HIS 76 HE2 HIS 76 -18.894 9.167 2.260 565 H HIS 77 H HIS 77 -23.925 13.275 0.733 566 HA HIS 77 HA HIS 77 -24.605 15.963 1.616 567 HB2 HIS 77 2HB HIS 77 -24.557 16.082 -0.896 568 HB3 HIS 77 1HB HIS 77 -25.815 14.850 -0.934 569 HD1 HIS 77 HD1 HIS 77 -28.210 15.626 -0.601 570 HD2 HIS 77 HD2 HIS 77 -25.418 18.606 0.181 571 HE1 HIS 77 HE1 HIS 77 -29.538 17.726 -0.274 572 HE2 HIS 77 HE2 HIS 77 -27.826 19.537 0.045 573 H HIS 78 H HIS 78 -25.915 15.583 3.311 574 HA HIS 78 HA HIS 78 -27.407 13.046 3.392 575 HB2 HIS 78 2HB HIS 78 -26.820 14.908 5.703 576 HB3 HIS 78 1HB HIS 78 -27.379 13.241 5.787 577 HD1 HIS 78 HD1 HIS 78 -25.556 11.481 4.625 578 HD2 HIS 78 HD2 HIS 78 -24.148 15.132 6.016 579 HE1 HIS 78 HE1 HIS 78 -23.078 11.189 4.891 580 HE2 HIS 78 HE2 HIS 78 -22.284 13.349 5.899 Start of MODEL 16 1 H1 MET 1 1H MET 1 -3.038 -10.407 -3.443 2 H2 MET 1 2H MET 1 -4.011 -11.292 -2.383 3 H3 MET 1 3H MET 1 -2.610 -11.992 -3.023 4 HA MET 1 HA MET 1 -2.324 -11.317 -0.717 5 HB2 MET 1 2HB MET 1 -0.210 -10.143 -0.999 6 HB3 MET 1 1HB MET 1 -0.388 -11.365 -2.247 7 HG2 MET 1 2HG MET 1 -0.985 -9.666 -3.868 8 HG3 MET 1 1HG MET 1 -0.911 -8.424 -2.622 9 HE1 MET 1 3HE MET 1 1.517 -11.488 -3.129 10 HE2 MET 1 1HE MET 1 2.776 -10.757 -4.123 11 HE3 MET 1 2HE MET 1 1.154 -10.981 -4.780 12 H ASN 2 H ASN 2 -2.008 -9.567 0.809 13 HA ASN 2 HA ASN 2 -3.832 -7.308 0.300 14 HB2 ASN 2 2HB ASN 2 -2.748 -8.357 2.933 15 HB3 ASN 2 1HB ASN 2 -3.969 -7.102 2.735 16 HD21 ASN 2 1HD2 ASN 2 -3.301 -10.501 2.548 17 HD22 ASN 2 2HD2 ASN 2 -4.950 -11.015 2.447 18 H LEU 3 H LEU 3 -2.903 -5.426 -0.231 19 HA LEU 3 HA LEU 3 -0.201 -4.812 0.804 20 HB2 LEU 3 2HB LEU 3 -1.390 -3.962 -1.841 21 HB3 LEU 3 1HB LEU 3 0.219 -3.572 -1.261 22 HG LEU 3 HG LEU 3 -0.780 -6.347 -1.927 23 HD11 LEU 3 1HD1 LEU 3 -0.485 -4.985 -3.923 24 HD12 LEU 3 2HD1 LEU 3 0.764 -6.226 -3.819 25 HD13 LEU 3 3HD1 LEU 3 1.146 -4.554 -3.405 26 HD21 LEU 3 3HD2 LEU 3 1.952 -5.385 -1.068 27 HD22 LEU 3 1HD2 LEU 3 1.566 -7.015 -1.623 28 HD23 LEU 3 2HD2 LEU 3 0.854 -6.402 -0.133 29 H THR 4 H THR 4 0.014 -2.992 1.938 30 HA THR 4 HA THR 4 -2.319 -1.353 2.446 31 HB THR 4 HB THR 4 0.476 -1.074 3.589 32 HG1 THR 4 HG1 THR 4 -0.262 -2.398 5.248 33 HG21 THR 4 3HG2 THR 4 -0.941 0.919 3.900 34 HG22 THR 4 1HG2 THR 4 -0.640 0.091 5.430 35 HG23 THR 4 2HG2 THR 4 -2.194 -0.093 4.618 36 H VAL 5 H VAL 5 -2.752 0.016 0.761 37 HA VAL 5 HA VAL 5 -0.613 1.413 -0.628 38 HB VAL 5 HB VAL 5 -3.602 1.639 -1.066 39 HG11 VAL 5 1HG1 VAL 5 -1.274 2.329 -2.871 40 HG12 VAL 5 2HG1 VAL 5 -2.312 3.483 -2.034 41 HG13 VAL 5 3HG1 VAL 5 -2.982 2.449 -3.296 42 HG21 VAL 5 3HG2 VAL 5 -2.877 -0.685 -1.313 43 HG22 VAL 5 1HG2 VAL 5 -1.610 -0.180 -2.432 44 HG23 VAL 5 2HG2 VAL 5 -3.306 0.012 -2.875 45 H ASN 6 H ASN 6 0.217 3.202 0.245 46 HA ASN 6 HA ASN 6 0.480 5.201 1.296 47 HB2 ASN 6 2HB ASN 6 -2.380 5.674 0.426 48 HB3 ASN 6 1HB ASN 6 -1.264 6.916 0.984 49 HD21 ASN 6 1HD2 ASN 6 -2.307 5.036 -1.652 50 HD22 ASN 6 2HD2 ASN 6 -1.207 5.675 -2.819 51 H GLY 7 H GLY 7 -0.601 2.923 2.873 52 HA2 GLY 7 2HA GLY 7 -0.811 2.913 5.256 53 HA3 GLY 7 1HA GLY 7 -1.584 4.489 5.172 54 H LYS 8 H LYS 8 -3.117 3.065 2.785 55 HA LYS 8 HA LYS 8 -5.268 2.044 4.516 56 HB2 LYS 8 2HB LYS 8 -5.395 2.968 1.632 57 HB3 LYS 8 1HB LYS 8 -6.762 2.399 2.579 58 HG2 LYS 8 2HG LYS 8 -6.927 4.737 2.610 59 HG3 LYS 8 1HG LYS 8 -6.263 4.308 4.187 60 HD2 LYS 8 2HD LYS 8 -3.998 4.857 3.363 61 HD3 LYS 8 1HD LYS 8 -4.685 5.310 1.803 62 HE2 LYS 8 2HE LYS 8 -6.007 7.068 2.927 63 HE3 LYS 8 1HE LYS 8 -5.259 6.626 4.461 64 HZ1 LYS 8 3HZ LYS 8 -3.834 7.668 2.072 65 HZ2 LYS 8 1HZ LYS 8 -3.099 7.225 3.531 66 HZ3 LYS 8 2HZ LYS 8 -4.169 8.535 3.479 67 HA PRO 9 HA PRO 9 -3.933 -2.028 3.124 68 HB2 PRO 9 2HB PRO 9 -6.375 -2.919 4.551 69 HB3 PRO 9 1HB PRO 9 -4.692 -3.394 4.798 70 HG2 PRO 9 2HG PRO 9 -5.949 -1.814 6.551 71 HG3 PRO 9 1HG PRO 9 -4.236 -1.564 6.154 72 HD2 PRO 9 2HD PRO 9 -6.649 -0.069 5.168 73 HD3 PRO 9 1HD PRO 9 -5.068 0.561 5.688 74 H SER 10 H SER 10 -4.296 -2.525 1.046 75 HA SER 10 HA SER 10 -7.079 -2.852 0.102 76 HB2 SER 10 2HB SER 10 -5.777 -1.106 -1.100 77 HB3 SER 10 1HB SER 10 -4.595 -2.330 -1.561 78 HG SER 10 HG SER 10 -6.848 -1.691 -2.796 79 H THR 11 H THR 11 -7.408 -4.617 -1.491 80 HA THR 11 HA THR 11 -5.601 -6.897 -0.961 81 HB THR 11 HB THR 11 -8.630 -7.013 -1.022 82 HG1 THR 11 HG1 THR 11 -7.014 -7.700 1.199 83 HG21 THR 11 3HG2 THR 11 -7.618 -9.040 -1.955 84 HG22 THR 11 1HG2 THR 11 -8.347 -9.369 -0.383 85 HG23 THR 11 2HG2 THR 11 -6.598 -9.201 -0.525 86 H VAL 12 H VAL 12 -4.658 -7.333 -2.861 87 HA VAL 12 HA VAL 12 -6.287 -7.369 -5.308 88 HB VAL 12 HB VAL 12 -4.081 -7.727 -6.490 89 HG11 VAL 12 1HG1 VAL 12 -4.391 -5.225 -4.819 90 HG12 VAL 12 2HG1 VAL 12 -5.125 -5.534 -6.392 91 HG13 VAL 12 3HG1 VAL 12 -3.375 -5.372 -6.255 92 HG21 VAL 12 3HG2 VAL 12 -2.774 -8.626 -4.635 93 HG22 VAL 12 1HG2 VAL 12 -2.942 -7.107 -3.754 94 HG23 VAL 12 2HG2 VAL 12 -2.019 -7.159 -5.256 95 H ASP 13 H ASP 13 -7.392 -9.211 -5.447 96 HA ASP 13 HA ASP 13 -6.434 -11.706 -4.386 97 HB2 ASP 13 2HB ASP 13 -8.825 -10.957 -4.329 98 HB3 ASP 13 1HB ASP 13 -8.895 -11.178 -6.075 99 H GLY 14 H GLY 14 -5.643 -13.473 -5.469 100 HA2 GLY 14 2HA GLY 14 -5.035 -14.795 -7.311 101 HA3 GLY 14 1HA GLY 14 -5.565 -13.513 -8.389 102 H ALA 15 H ALA 15 -3.534 -12.460 -5.856 103 HA ALA 15 HA ALA 15 -1.296 -12.172 -7.750 104 HB1 ALA 15 3HB ALA 15 -1.810 -10.668 -5.182 105 HB2 ALA 15 1HB ALA 15 -2.221 -10.101 -6.800 106 HB3 ALA 15 2HB ALA 15 -0.531 -10.341 -6.354 107 H GLU 16 H GLU 16 0.017 -13.924 -7.551 108 HA GLU 16 HA GLU 16 0.702 -14.887 -4.848 109 HB2 GLU 16 2HB GLU 16 -0.344 -16.544 -6.362 110 HB3 GLU 16 1HB GLU 16 0.973 -16.320 -7.503 111 HG2 GLU 16 2HG GLU 16 2.558 -17.158 -5.815 112 HG3 GLU 16 1HG GLU 16 1.210 -17.424 -4.708 113 H SER 17 H SER 17 2.300 -13.361 -4.436 114 HA SER 17 HA SER 17 4.358 -12.387 -4.414 115 HB2 SER 17 2HB SER 17 5.142 -15.179 -5.286 116 HB3 SER 17 1HB SER 17 6.281 -13.958 -4.719 117 HG SER 17 HG SER 17 5.664 -15.311 -3.014 118 H LEU 18 H LEU 18 4.251 -10.808 -5.963 119 HA LEU 18 HA LEU 18 5.510 -11.443 -8.550 120 HB2 LEU 18 2HB LEU 18 3.956 -9.653 -9.530 121 HB3 LEU 18 1HB LEU 18 3.298 -11.241 -9.209 122 HG LEU 18 HG LEU 18 2.340 -10.318 -7.061 123 HD11 LEU 18 1HD1 LEU 18 3.163 -7.688 -8.283 124 HD12 LEU 18 2HD1 LEU 18 3.718 -8.370 -6.753 125 HD13 LEU 18 3HD1 LEU 18 2.037 -7.874 -6.936 126 HD21 LEU 18 3HD2 LEU 18 1.401 -9.076 -9.651 127 HD22 LEU 18 1HD2 LEU 18 0.450 -9.225 -8.173 128 HD23 LEU 18 2HD2 LEU 18 0.962 -10.672 -9.041 129 H ASN 19 H ASN 19 6.636 -9.707 -9.573 130 HA ASN 19 HA ASN 19 8.080 -8.069 -7.725 131 HB2 ASN 19 2HB ASN 19 8.089 -7.873 -10.745 132 HB3 ASN 19 1HB ASN 19 9.352 -7.346 -9.637 133 HD21 ASN 19 1HD2 ASN 19 9.476 -9.225 -11.859 134 HD22 ASN 19 2HD2 ASN 19 10.035 -10.708 -11.187 135 H VAL 20 H VAL 20 8.301 -5.686 -7.923 136 HA VAL 20 HA VAL 20 5.861 -4.323 -7.766 137 HB VAL 20 HB VAL 20 8.513 -3.064 -8.503 138 HG11 VAL 20 1HG1 VAL 20 6.614 -1.561 -8.777 139 HG12 VAL 20 2HG1 VAL 20 7.604 -1.060 -7.407 140 HG13 VAL 20 3HG1 VAL 20 6.080 -1.906 -7.132 141 HG21 VAL 20 3HG2 VAL 20 8.880 -2.742 -6.098 142 HG22 VAL 20 1HG2 VAL 20 8.787 -4.454 -6.512 143 HG23 VAL 20 2HG2 VAL 20 7.412 -3.656 -5.750 144 H THR 21 H THR 21 8.057 -4.766 -10.516 145 HA THR 21 HA THR 21 6.792 -3.188 -12.435 146 HB THR 21 HB THR 21 8.056 -5.910 -12.898 147 HG1 THR 21 HG1 THR 21 9.862 -4.427 -13.546 148 HG21 THR 21 3HG2 THR 21 6.693 -5.147 -14.799 149 HG22 THR 21 1HG2 THR 21 8.414 -5.122 -15.191 150 HG23 THR 21 2HG2 THR 21 7.573 -3.617 -14.817 151 H GLU 22 H GLU 22 6.182 -6.636 -11.683 152 HA GLU 22 HA GLU 22 3.981 -6.940 -13.429 153 HB2 GLU 22 2HB GLU 22 4.623 -8.460 -10.889 154 HB3 GLU 22 1HB GLU 22 3.513 -8.990 -12.148 155 HG2 GLU 22 2HG GLU 22 5.361 -9.097 -13.746 156 HG3 GLU 22 1HG GLU 22 6.478 -8.544 -12.498 157 H LEU 23 H LEU 23 4.187 -5.875 -10.070 158 HA LEU 23 HA LEU 23 1.487 -5.831 -9.368 159 HB2 LEU 23 2HB LEU 23 3.487 -5.355 -7.896 160 HB3 LEU 23 1HB LEU 23 3.552 -3.753 -8.597 161 HG LEU 23 HG LEU 23 1.123 -4.772 -7.106 162 HD11 LEU 23 1HD1 LEU 23 3.029 -4.888 -5.603 163 HD12 LEU 23 2HD1 LEU 23 1.972 -3.553 -5.150 164 HD13 LEU 23 3HD1 LEU 23 3.479 -3.231 -6.009 165 HD21 LEU 23 3HD2 LEU 23 2.068 -1.973 -7.772 166 HD22 LEU 23 1HD2 LEU 23 0.638 -2.378 -6.819 167 HD23 LEU 23 2HD2 LEU 23 0.717 -2.822 -8.522 168 H LEU 24 H LEU 24 3.417 -3.342 -11.029 169 HA LEU 24 HA LEU 24 1.459 -1.384 -11.345 170 HB2 LEU 24 2HB LEU 24 3.668 -2.117 -13.278 171 HB3 LEU 24 1HB LEU 24 2.789 -0.599 -13.265 172 HG LEU 24 HG LEU 24 4.565 -1.582 -11.020 173 HD11 LEU 24 1HD1 LEU 24 6.133 0.140 -11.747 174 HD12 LEU 24 2HD1 LEU 24 5.082 0.539 -13.107 175 HD13 LEU 24 3HD1 LEU 24 5.856 -1.044 -13.025 176 HD21 LEU 24 3HD2 LEU 24 3.160 1.062 -11.435 177 HD22 LEU 24 1HD2 LEU 24 4.330 0.716 -10.158 178 HD23 LEU 24 2HD2 LEU 24 2.790 -0.144 -10.200 179 H SER 25 H SER 25 1.986 -4.336 -13.168 180 HA SER 25 HA SER 25 0.100 -3.706 -15.256 181 HB2 SER 25 2HB SER 25 1.980 -5.231 -15.696 182 HB3 SER 25 1HB SER 25 1.356 -6.365 -14.497 183 HG SER 25 HG SER 25 0.824 -6.712 -16.828 184 H ALA 26 H ALA 26 0.004 -5.455 -12.192 185 HA ALA 26 HA ALA 26 -2.594 -6.586 -12.532 186 HB1 ALA 26 3HB ALA 26 -0.983 -7.470 -10.916 187 HB2 ALA 26 1HB ALA 26 -2.499 -7.030 -10.130 188 HB3 ALA 26 2HB ALA 26 -1.091 -5.977 -9.982 189 H LEU 27 H LEU 27 -1.441 -3.675 -10.846 190 HA LEU 27 HA LEU 27 -4.042 -2.726 -10.143 191 HB2 LEU 27 2HB LEU 27 -1.981 -2.067 -8.948 192 HB3 LEU 27 1HB LEU 27 -1.427 -1.220 -10.379 193 HG LEU 27 HG LEU 27 -3.346 0.340 -10.181 194 HD11 LEU 27 1HD1 LEU 27 -4.663 0.359 -8.101 195 HD12 LEU 27 2HD1 LEU 27 -3.909 -1.163 -7.622 196 HD13 LEU 27 3HD1 LEU 27 -4.938 -1.098 -9.054 197 HD21 LEU 27 3HD2 LEU 27 -1.658 0.128 -7.683 198 HD22 LEU 27 1HD2 LEU 27 -2.521 1.564 -8.232 199 HD23 LEU 27 2HD2 LEU 27 -1.187 0.920 -9.186 200 H LYS 28 H LYS 28 -1.941 -2.334 -12.896 201 HA LYS 28 HA LYS 28 -2.290 -1.649 -15.013 202 HB2 LYS 28 2HB LYS 28 -5.200 -1.406 -14.223 203 HB3 LYS 28 1HB LYS 28 -4.578 -1.380 -15.870 204 HG2 LYS 28 2HG LYS 28 -3.697 -3.672 -15.528 205 HG3 LYS 28 1HG LYS 28 -4.444 -3.687 -13.931 206 HD2 LYS 28 2HD LYS 28 -6.653 -3.402 -14.964 207 HD3 LYS 28 1HD LYS 28 -5.902 -3.389 -16.564 208 HE2 LYS 28 2HE LYS 28 -5.896 -5.673 -14.586 209 HE3 LYS 28 1HE LYS 28 -6.803 -5.594 -16.097 210 HZ1 LYS 28 3HZ LYS 28 -3.835 -5.613 -15.863 211 HZ2 LYS 28 1HZ LYS 28 -4.710 -5.553 -17.310 212 HZ3 LYS 28 2HZ LYS 28 -4.796 -6.923 -16.328 213 H VAL 29 H VAL 29 -1.021 0.177 -14.698 214 HA VAL 29 HA VAL 29 -2.509 2.699 -14.928 215 HB VAL 29 HB VAL 29 -1.728 2.572 -12.597 216 HG11 VAL 29 1HG1 VAL 29 0.196 1.108 -12.876 217 HG12 VAL 29 2HG1 VAL 29 0.681 2.603 -12.076 218 HG13 VAL 29 3HG1 VAL 29 1.045 2.358 -13.786 219 HG21 VAL 29 3HG2 VAL 29 -1.870 4.760 -13.664 220 HG22 VAL 29 1HG2 VAL 29 -0.213 4.602 -14.250 221 HG23 VAL 29 2HG2 VAL 29 -0.530 4.719 -12.520 222 H ALA 30 H ALA 30 -1.491 4.290 -16.205 223 HA ALA 30 HA ALA 30 0.355 3.270 -18.181 224 HB1 ALA 30 3HB ALA 30 -0.006 5.398 -19.314 225 HB2 ALA 30 1HB ALA 30 -0.859 6.023 -17.901 226 HB3 ALA 30 2HB ALA 30 -1.542 4.685 -18.825 227 H GLN 31 H GLN 31 2.162 4.831 -18.927 228 HA GLN 31 HA GLN 31 4.253 5.655 -18.549 229 HB2 GLN 31 2HB GLN 31 3.007 6.994 -16.137 230 HB3 GLN 31 1HB GLN 31 4.472 7.490 -16.976 231 HG2 GLN 31 2HG GLN 31 3.131 7.967 -18.987 232 HG3 GLN 31 1HG GLN 31 1.673 7.536 -18.095 233 HE21 GLN 31 1HE2 GLN 31 0.976 8.901 -16.420 234 HE22 GLN 31 2HE2 GLN 31 1.514 10.537 -16.309 235 H ALA 32 H ALA 32 3.849 3.083 -17.552 236 HA ALA 32 HA ALA 32 4.543 2.646 -14.869 237 HB1 ALA 32 3HB ALA 32 5.063 0.837 -17.230 238 HB2 ALA 32 1HB ALA 32 3.555 0.925 -16.319 239 HB3 ALA 32 2HB ALA 32 5.027 0.353 -15.534 240 H GLU 33 H GLU 33 6.568 3.167 -17.705 241 HA GLU 33 HA GLU 33 9.058 2.453 -16.524 242 HB2 GLU 33 2HB GLU 33 8.497 4.376 -18.800 243 HB3 GLU 33 1HB GLU 33 10.066 3.686 -18.410 244 HG2 GLU 33 2HG GLU 33 7.645 2.105 -19.262 245 HG3 GLU 33 1HG GLU 33 8.962 2.597 -20.325 246 H TYR 34 H TYR 34 7.023 5.085 -15.900 247 HA TYR 34 HA TYR 34 9.263 6.733 -14.893 248 HB2 TYR 34 2HB TYR 34 6.741 7.879 -16.105 249 HB3 TYR 34 1HB TYR 34 8.231 8.727 -15.702 250 HD1 TYR 34 HD2 TYR 34 10.284 8.343 -17.094 251 HD2 TYR 34 HD1 TYR 34 6.478 6.769 -18.197 252 HE1 TYR 34 HE2 TYR 34 11.107 7.958 -19.378 253 HE2 TYR 34 HE1 TYR 34 7.295 6.377 -20.478 254 HH TYR 34 HH TYR 34 9.014 7.095 -21.973 255 H VAL 35 H VAL 35 6.780 4.946 -13.856 256 HA VAL 35 HA VAL 35 5.289 6.758 -12.240 257 HB VAL 35 HB VAL 35 4.353 4.610 -12.996 258 HG11 VAL 35 1HG1 VAL 35 6.331 3.201 -12.787 259 HG12 VAL 35 2HG1 VAL 35 4.978 2.511 -11.891 260 HG13 VAL 35 3HG1 VAL 35 6.270 3.347 -11.030 261 HG21 VAL 35 3HG2 VAL 35 3.329 5.717 -11.099 262 HG22 VAL 35 1HG2 VAL 35 4.460 4.934 -9.995 263 HG23 VAL 35 2HG2 VAL 35 3.274 3.967 -10.873 264 H THR 36 H THR 36 5.615 7.492 -10.229 265 HA THR 36 HA THR 36 8.043 6.698 -8.797 266 HB THR 36 HB THR 36 6.145 8.989 -8.195 267 HG1 THR 36 HG1 THR 36 7.247 10.085 -9.636 268 HG21 THR 36 3HG2 THR 36 7.430 8.295 -6.232 269 HG22 THR 36 1HG2 THR 36 8.014 9.847 -6.829 270 HG23 THR 36 2HG2 THR 36 8.926 8.374 -7.165 271 H VAL 37 H VAL 37 7.588 4.820 -7.699 272 HA VAL 37 HA VAL 37 5.550 5.024 -5.577 273 HB VAL 37 HB VAL 37 5.037 2.608 -5.825 274 HG11 VAL 37 1HG1 VAL 37 3.544 4.252 -6.808 275 HG12 VAL 37 2HG1 VAL 37 3.627 2.817 -7.830 276 HG13 VAL 37 3HG1 VAL 37 4.507 4.275 -8.285 277 HG21 VAL 37 3HG2 VAL 37 7.096 1.892 -6.936 278 HG22 VAL 37 1HG2 VAL 37 6.652 2.809 -8.376 279 HG23 VAL 37 2HG2 VAL 37 5.681 1.424 -7.877 280 H GLU 38 H GLU 38 5.889 3.516 -3.773 281 HA GLU 38 HA GLU 38 8.467 2.234 -3.521 282 HB2 GLU 38 2HB GLU 38 9.132 3.454 -1.492 283 HB3 GLU 38 1HB GLU 38 9.056 4.506 -2.896 284 HG2 GLU 38 2HG GLU 38 6.860 5.325 -2.124 285 HG3 GLU 38 1HG GLU 38 7.011 4.317 -0.684 286 H LEU 39 H LEU 39 8.627 0.849 -1.657 287 HA LEU 39 HA LEU 39 6.038 0.332 -0.344 288 HB2 LEU 39 2HB LEU 39 6.681 -2.105 -0.327 289 HB3 LEU 39 1HB LEU 39 6.247 -1.429 -1.883 290 HG LEU 39 HG LEU 39 8.808 -1.183 -2.251 291 HD11 LEU 39 1HD1 LEU 39 9.544 -1.648 0.017 292 HD12 LEU 39 2HD1 LEU 39 10.162 -2.871 -1.088 293 HD13 LEU 39 3HD1 LEU 39 8.793 -3.241 -0.041 294 HD21 LEU 39 3HD2 LEU 39 8.935 -3.460 -3.132 295 HD22 LEU 39 1HD2 LEU 39 7.378 -2.719 -3.496 296 HD23 LEU 39 2HD2 LEU 39 7.506 -3.907 -2.199 297 H ASN 40 H ASN 40 6.023 -0.013 1.815 298 HA ASN 40 HA ASN 40 6.710 -0.011 3.983 299 HB2 ASN 40 2HB ASN 40 9.213 -1.312 2.876 300 HB3 ASN 40 1HB ASN 40 8.676 -1.359 4.553 301 HD21 ASN 40 1HD2 ASN 40 9.163 -3.521 2.642 302 HD22 ASN 40 2HD2 ASN 40 7.695 -4.425 2.555 303 H GLY 41 H GLY 41 7.665 2.179 2.007 304 HA2 GLY 41 2HA GLY 41 8.523 4.295 2.569 305 HA3 GLY 41 1HA GLY 41 9.336 3.584 3.951 306 H GLU 42 H GLU 42 9.815 1.882 1.008 307 HA GLU 42 HA GLU 42 12.424 3.226 0.605 308 HB2 GLU 42 2HB GLU 42 12.686 0.990 1.615 309 HB3 GLU 42 1HB GLU 42 11.799 0.278 0.273 310 HG2 GLU 42 2HG GLU 42 13.569 1.096 -1.268 311 HG3 GLU 42 1HG GLU 42 14.471 1.673 0.132 312 H VAL 43 H VAL 43 12.521 4.235 -1.313 313 HA VAL 43 HA VAL 43 10.733 3.542 -3.487 314 HB VAL 43 HB VAL 43 11.146 5.888 -3.066 315 HG11 VAL 43 1HG1 VAL 43 13.375 5.757 -2.109 316 HG12 VAL 43 2HG1 VAL 43 13.344 6.923 -3.432 317 HG13 VAL 43 3HG1 VAL 43 14.048 5.324 -3.681 318 HG21 VAL 43 3HG2 VAL 43 11.747 6.634 -5.324 319 HG22 VAL 43 1HG2 VAL 43 10.678 5.232 -5.375 320 HG23 VAL 43 2HG2 VAL 43 12.404 5.037 -5.682 321 H LEU 44 H LEU 44 11.217 2.529 -5.389 322 HA LEU 44 HA LEU 44 13.885 1.267 -5.540 323 HB2 LEU 44 2HB LEU 44 11.278 0.293 -6.730 324 HB3 LEU 44 1HB LEU 44 12.816 -0.535 -6.812 325 HG LEU 44 HG LEU 44 11.574 -1.676 -5.181 326 HD11 LEU 44 1HD1 LEU 44 13.884 -1.237 -4.525 327 HD12 LEU 44 2HD1 LEU 44 12.819 -1.366 -3.127 328 HD13 LEU 44 3HD1 LEU 44 13.367 0.219 -3.673 329 HD21 LEU 44 3HD2 LEU 44 9.817 0.002 -4.856 330 HD22 LEU 44 1HD2 LEU 44 10.920 0.963 -3.871 331 HD23 LEU 44 2HD2 LEU 44 10.412 -0.635 -3.323 332 H GLU 45 H GLU 45 14.987 1.135 -7.506 333 HA GLU 45 HA GLU 45 14.469 3.020 -9.575 334 HB2 GLU 45 2HB GLU 45 16.266 0.591 -9.447 335 HB3 GLU 45 1HB GLU 45 16.192 1.645 -10.850 336 HG2 GLU 45 2HG GLU 45 18.104 2.168 -9.454 337 HG3 GLU 45 1HG GLU 45 16.976 3.518 -9.513 338 H ARG 46 H ARG 46 14.065 2.425 -11.900 339 HA ARG 46 HA ARG 46 11.705 0.963 -12.221 340 HB2 ARG 46 2HB ARG 46 13.762 1.914 -14.199 341 HB3 ARG 46 1HB ARG 46 12.403 0.936 -14.725 342 HG2 ARG 46 2HG ARG 46 11.690 3.108 -15.118 343 HG3 ARG 46 1HG ARG 46 10.927 2.705 -13.584 344 HD2 ARG 46 2HD ARG 46 13.562 4.144 -13.695 345 HD3 ARG 46 1HD ARG 46 12.041 5.013 -13.851 346 HE ARG 46 HE ARG 46 11.555 3.833 -11.589 347 HH11 ARG 46 1HH1 ARG 46 14.624 5.014 -12.615 348 HH12 ARG 46 2HH1 ARG 46 15.097 5.497 -11.026 349 HH21 ARG 46 1HH2 ARG 46 12.177 4.425 -9.543 350 HH22 ARG 46 2HH2 ARG 46 13.732 5.146 -9.295 351 H GLU 47 H GLU 47 15.073 -0.067 -12.740 352 HA GLU 47 HA GLU 47 14.390 -2.724 -13.536 353 HB2 GLU 47 2HB GLU 47 16.766 -3.244 -13.180 354 HB3 GLU 47 1HB GLU 47 16.560 -1.771 -14.117 355 HG2 GLU 47 2HG GLU 47 17.041 -0.423 -12.140 356 HG3 GLU 47 1HG GLU 47 17.201 -1.884 -11.168 357 H ALA 48 H ALA 48 15.086 -1.191 -10.439 358 HA ALA 48 HA ALA 48 15.241 -3.532 -8.866 359 HB1 ALA 48 3HB ALA 48 16.035 -1.345 -8.086 360 HB2 ALA 48 1HB ALA 48 14.890 -2.062 -6.951 361 HB3 ALA 48 2HB ALA 48 14.371 -0.763 -8.026 362 H PHE 49 H PHE 49 12.529 -1.816 -10.218 363 HA PHE 49 HA PHE 49 10.444 -2.756 -8.622 364 HB2 PHE 49 2HB PHE 49 10.528 -2.188 -11.587 365 HB3 PHE 49 1HB PHE 49 9.047 -2.613 -10.741 366 HD1 PHE 49 HD1 PHE 49 10.088 -0.968 -8.176 367 HD2 PHE 49 HD2 PHE 49 9.468 -0.092 -12.300 368 HE1 PHE 49 HE1 PHE 49 9.695 1.395 -7.616 369 HE2 PHE 49 HE2 PHE 49 9.086 2.271 -11.741 370 HZ PHE 49 HZ PHE 49 9.195 3.017 -9.401 371 H ASP 50 H ASP 50 12.120 -4.384 -11.301 372 HA ASP 50 HA ASP 50 10.463 -6.749 -11.056 373 HB2 ASP 50 2HB ASP 50 11.435 -5.971 -13.239 374 HB3 ASP 50 1HB ASP 50 13.027 -6.419 -12.633 375 H ALA 51 H ALA 51 13.682 -5.714 -10.070 376 HA ALA 51 HA ALA 51 14.615 -8.196 -9.094 377 HB1 ALA 51 3HB ALA 51 16.094 -6.294 -9.530 378 HB2 ALA 51 1HB ALA 51 16.285 -6.898 -7.884 379 HB3 ALA 51 2HB ALA 51 15.368 -5.421 -8.181 380 H THR 52 H THR 52 12.340 -5.941 -7.771 381 HA THR 52 HA THR 52 12.522 -7.167 -5.092 382 HB THR 52 HB THR 52 11.025 -4.660 -5.908 383 HG1 THR 52 HG1 THR 52 13.072 -3.998 -5.973 384 HG21 THR 52 3HG2 THR 52 10.910 -4.234 -3.482 385 HG22 THR 52 1HG2 THR 52 11.673 -5.795 -3.176 386 HG23 THR 52 2HG2 THR 52 10.074 -5.724 -3.918 387 H THR 53 H THR 53 11.140 -8.778 -4.685 388 HA THR 53 HA THR 53 8.664 -9.005 -6.237 389 HB THR 53 HB THR 53 9.968 -11.001 -4.370 390 HG1 THR 53 HG1 THR 53 9.859 -10.809 -7.225 391 HG21 THR 53 3HG2 THR 53 7.611 -11.333 -6.243 392 HG22 THR 53 1HG2 THR 53 7.536 -11.326 -4.481 393 HG23 THR 53 2HG2 THR 53 8.382 -12.624 -5.320 394 H VAL 54 H VAL 54 6.957 -8.004 -5.424 395 HA VAL 54 HA VAL 54 6.597 -7.368 -2.666 396 HB VAL 54 HB VAL 54 4.541 -7.312 -4.890 397 HG11 VAL 54 1HG1 VAL 54 3.531 -7.170 -2.680 398 HG12 VAL 54 2HG1 VAL 54 3.418 -5.617 -3.506 399 HG13 VAL 54 3HG1 VAL 54 4.623 -5.857 -2.241 400 HG21 VAL 54 3HG2 VAL 54 5.139 -4.951 -5.169 401 HG22 VAL 54 1HG2 VAL 54 6.513 -6.008 -5.499 402 HG23 VAL 54 2HG2 VAL 54 6.422 -5.131 -3.971 403 H LYS 55 H LYS 55 5.169 -8.259 -1.156 404 HA LYS 55 HA LYS 55 3.994 -10.884 -1.832 405 HB2 LYS 55 2HB LYS 55 5.734 -10.189 0.543 406 HB3 LYS 55 1HB LYS 55 4.794 -11.672 0.428 407 HG2 LYS 55 2HG LYS 55 6.087 -12.472 -1.383 408 HG3 LYS 55 1HG LYS 55 6.836 -10.897 -1.643 409 HD2 LYS 55 2HD LYS 55 7.209 -12.552 0.856 410 HD3 LYS 55 1HD LYS 55 8.315 -12.574 -0.519 411 HE2 LYS 55 2HE LYS 55 7.603 -10.115 1.093 412 HE3 LYS 55 1HE LYS 55 9.067 -11.075 1.308 413 HZ1 LYS 55 3HZ LYS 55 9.458 -9.118 -0.065 414 HZ2 LYS 55 1HZ LYS 55 8.306 -9.646 -1.187 415 HZ3 LYS 55 2HZ LYS 55 9.721 -10.537 -0.947 416 H ASP 56 H ASP 56 3.032 -11.513 0.704 417 HA ASP 56 HA ASP 56 0.591 -9.994 0.576 418 HB2 ASP 56 2HB ASP 56 1.121 -12.589 1.029 419 HB3 ASP 56 1HB ASP 56 1.027 -12.042 2.697 420 H GLY 57 H GLY 57 2.604 -8.258 1.477 421 HA2 GLY 57 2HA GLY 57 1.544 -7.114 3.779 422 HA3 GLY 57 1HA GLY 57 2.828 -8.182 4.320 423 H ASP 58 H ASP 58 2.501 -5.948 1.554 424 HA ASP 58 HA ASP 58 4.861 -4.493 2.565 425 HB2 ASP 58 2HB ASP 58 4.248 -5.296 -0.290 426 HB3 ASP 58 1HB ASP 58 5.448 -4.077 0.130 427 H ALA 59 H ALA 59 4.495 -2.414 2.938 428 HA ALA 59 HA ALA 59 1.998 -1.183 2.224 429 HB1 ALA 59 3HB ALA 59 2.823 0.748 3.473 430 HB2 ALA 59 1HB ALA 59 4.420 0.007 3.579 431 HB3 ALA 59 2HB ALA 59 3.044 -0.745 4.385 432 H VAL 60 H VAL 60 2.143 -1.220 -0.093 433 HA VAL 60 HA VAL 60 4.171 0.381 -1.399 434 HB VAL 60 HB VAL 60 3.443 -1.598 -2.558 435 HG11 VAL 60 1HG1 VAL 60 1.200 -1.826 -1.650 436 HG12 VAL 60 2HG1 VAL 60 1.156 -1.877 -3.412 437 HG13 VAL 60 3HG1 VAL 60 0.663 -0.413 -2.560 438 HG21 VAL 60 3HG2 VAL 60 2.454 0.889 -3.971 439 HG22 VAL 60 1HG2 VAL 60 2.827 -0.649 -4.750 440 HG23 VAL 60 2HG2 VAL 60 4.107 0.275 -3.966 441 H GLU 61 H GLU 61 4.019 2.536 -1.124 442 HA GLU 61 HA GLU 61 1.427 3.851 -1.028 443 HB2 GLU 61 2HB GLU 61 4.221 4.999 -0.798 444 HB3 GLU 61 1HB GLU 61 2.727 5.898 -0.545 445 HG2 GLU 61 2HG GLU 61 2.162 4.330 1.304 446 HG3 GLU 61 1HG GLU 61 3.738 3.573 1.093 447 H PHE 62 H PHE 62 0.471 3.955 -2.935 448 HA PHE 62 HA PHE 62 1.948 4.796 -5.340 449 HB2 PHE 62 2HB PHE 62 0.648 2.680 -5.413 450 HB3 PHE 62 1HB PHE 62 -0.817 3.578 -5.043 451 HD1 PHE 62 HD2 PHE 62 1.713 2.865 -7.602 452 HD2 PHE 62 HD1 PHE 62 -1.953 4.864 -6.743 453 HE1 PHE 62 HE2 PHE 62 1.330 3.185 -10.004 454 HE2 PHE 62 HE1 PHE 62 -2.342 5.178 -9.153 455 HZ PHE 62 HZ PHE 62 -0.698 4.342 -10.782 456 H LEU 63 H LEU 63 1.865 6.961 -5.761 457 HA LEU 63 HA LEU 63 -0.642 8.397 -5.251 458 HB2 LEU 63 2HB LEU 63 0.472 10.223 -4.118 459 HB3 LEU 63 1HB LEU 63 0.721 8.722 -3.253 460 HG LEU 63 HG LEU 63 2.805 9.914 -5.093 461 HD11 LEU 63 1HD1 LEU 63 3.910 10.765 -3.079 462 HD12 LEU 63 2HD1 LEU 63 2.540 10.237 -2.102 463 HD13 LEU 63 3HD1 LEU 63 2.326 11.507 -3.307 464 HD21 LEU 63 3HD2 LEU 63 3.127 7.545 -4.654 465 HD22 LEU 63 1HD2 LEU 63 2.960 7.817 -2.920 466 HD23 LEU 63 2HD2 LEU 63 4.342 8.481 -3.788 467 H TYR 64 H TYR 64 -0.896 10.397 -6.346 468 HA TYR 64 HA TYR 64 -0.789 11.867 -8.050 469 HB2 TYR 64 2HB TYR 64 2.140 11.199 -7.850 470 HB3 TYR 64 1HB TYR 64 1.533 12.352 -9.032 471 HD1 TYR 64 HD2 TYR 64 0.006 14.250 -8.062 472 HD2 TYR 64 HD1 TYR 64 2.769 11.995 -5.736 473 HE1 TYR 64 HE2 TYR 64 0.041 16.039 -6.385 474 HE2 TYR 64 HE1 TYR 64 2.806 13.784 -4.042 475 HH TYR 64 HH TYR 64 0.526 16.321 -4.009 476 H PHE 65 H PHE 65 -0.726 8.732 -8.575 477 HA PHE 65 HA PHE 65 -0.803 9.072 -11.504 478 HB2 PHE 65 2HB PHE 65 0.468 6.804 -9.959 479 HB3 PHE 65 1HB PHE 65 0.032 6.665 -11.658 480 HD1 PHE 65 HD1 PHE 65 2.305 8.273 -9.255 481 HD2 PHE 65 HD2 PHE 65 1.289 7.808 -13.370 482 HE1 PHE 65 HE1 PHE 65 4.455 9.283 -9.899 483 HE2 PHE 65 HE2 PHE 65 3.435 8.818 -14.015 484 HZ PHE 65 HZ PHE 65 5.021 9.557 -12.281 485 H MET 66 H MET 66 -2.902 9.050 -9.383 486 HA MET 66 HA MET 66 -4.394 6.684 -9.376 487 HB2 MET 66 2HB MET 66 -5.317 9.559 -9.199 488 HB3 MET 66 1HB MET 66 -6.361 8.178 -8.897 489 HG2 MET 66 2HG MET 66 -5.606 9.096 -6.811 490 HG3 MET 66 1HG MET 66 -4.891 7.501 -7.040 491 HE1 MET 66 3HE MET 66 -2.165 9.535 -5.048 492 HE2 MET 66 1HE MET 66 -3.208 8.111 -5.039 493 HE3 MET 66 2HE MET 66 -3.914 9.723 -4.912 494 H GLY 67 H GLY 67 -5.965 5.828 -10.683 495 HA2 GLY 67 2HA GLY 67 -6.747 7.258 -13.130 496 HA3 GLY 67 1HA GLY 67 -5.913 5.725 -13.314 497 H GLY 68 H GLY 68 -7.178 4.425 -11.055 498 HA2 GLY 68 2HA GLY 68 -9.253 3.566 -10.365 499 HA3 GLY 68 1HA GLY 68 -10.038 4.454 -11.663 500 H GLY 69 H GLY 69 -10.838 3.214 -13.249 501 HA2 GLY 69 2HA GLY 69 -11.080 1.500 -14.769 502 HA3 GLY 69 1HA GLY 69 -9.409 1.060 -14.458 503 H LYS 70 H LYS 70 -11.976 1.198 -12.040 504 HA LYS 70 HA LYS 70 -11.609 -1.701 -11.587 505 HB2 LYS 70 2HB LYS 70 -12.121 0.563 -9.663 506 HB3 LYS 70 1HB LYS 70 -12.416 -1.111 -9.216 507 HG2 LYS 70 2HG LYS 70 -10.065 -1.646 -9.641 508 HG3 LYS 70 1HG LYS 70 -9.766 0.036 -10.093 509 HD2 LYS 70 2HD LYS 70 -10.278 0.793 -7.869 510 HD3 LYS 70 1HD LYS 70 -10.837 -0.812 -7.394 511 HE2 LYS 70 2HE LYS 70 -8.002 -0.130 -8.189 512 HE3 LYS 70 1HE LYS 70 -8.581 -0.268 -6.529 513 HZ1 LYS 70 3HZ LYS 70 -9.226 -2.593 -7.068 514 HZ2 LYS 70 1HZ LYS 70 -7.561 -2.307 -7.125 515 HZ3 LYS 70 2HZ LYS 70 -8.444 -2.425 -8.559 516 H LEU 71 H LEU 71 -13.299 -2.962 -11.959 517 HA LEU 71 HA LEU 71 -16.009 -1.895 -11.984 518 HB2 LEU 71 2HB LEU 71 -16.636 -4.229 -12.647 519 HB3 LEU 71 1HB LEU 71 -15.558 -3.406 -13.752 520 HG LEU 71 HG LEU 71 -13.654 -4.708 -12.603 521 HD11 LEU 71 1HD1 LEU 71 -15.996 -6.343 -11.630 522 HD12 LEU 71 2HD1 LEU 71 -14.832 -5.471 -10.632 523 HD13 LEU 71 3HD1 LEU 71 -14.307 -6.854 -11.591 524 HD21 LEU 71 3HD2 LEU 71 -15.718 -6.203 -14.222 525 HD22 LEU 71 1HD2 LEU 71 -14.030 -6.672 -14.010 526 HD23 LEU 71 2HD2 LEU 71 -14.429 -5.182 -14.861 527 H GLU 72 H GLU 72 -17.670 -3.612 -10.895 528 HA GLU 72 HA GLU 72 -16.680 -4.490 -8.290 529 HB2 GLU 72 2HB GLU 72 -17.275 -2.150 -7.920 530 HB3 GLU 72 1HB GLU 72 -18.880 -2.433 -8.576 531 HG2 GLU 72 2HG GLU 72 -19.403 -3.920 -6.726 532 HG3 GLU 72 1HG GLU 72 -17.770 -3.723 -6.085 533 H HIS 73 H HIS 73 -17.676 -6.292 -7.581 534 HA HIS 73 HA HIS 73 -19.796 -7.420 -9.216 535 HB2 HIS 73 2HB HIS 73 -17.922 -8.858 -8.580 536 HB3 HIS 73 1HB HIS 73 -18.265 -8.583 -6.875 537 HD1 HIS 73 HD1 HIS 73 -19.501 -10.444 -5.833 538 HD2 HIS 73 HD2 HIS 73 -20.382 -10.101 -9.878 539 HE1 HIS 73 HE1 HIS 73 -21.134 -12.281 -6.323 540 HE2 HIS 73 HE2 HIS 73 -21.530 -12.152 -8.801 541 H HIS 74 H HIS 74 -21.876 -7.330 -8.752 542 HA HIS 74 HA HIS 74 -23.006 -5.976 -6.589 543 HB2 HIS 74 2HB HIS 74 -24.212 -6.277 -8.661 544 HB3 HIS 74 1HB HIS 74 -24.189 -8.025 -8.476 545 HD1 HIS 74 HD1 HIS 74 -25.916 -4.953 -7.211 546 HD2 HIS 74 HD2 HIS 74 -26.175 -9.077 -6.821 547 HE1 HIS 74 HE1 HIS 74 -28.095 -5.380 -6.054 548 HE2 HIS 74 HE2 HIS 74 -28.147 -7.861 -5.673 549 H HIS 75 H HIS 75 -23.178 -6.528 -4.505 550 HA HIS 75 HA HIS 75 -22.865 -9.285 -3.644 551 HB2 HIS 75 2HB HIS 75 -23.312 -6.747 -2.050 552 HB3 HIS 75 1HB HIS 75 -22.984 -8.329 -1.353 553 HD1 HIS 75 HD1 HIS 75 -21.278 -5.345 -1.973 554 HD2 HIS 75 HD2 HIS 75 -20.374 -9.338 -2.692 555 HE1 HIS 75 HE1 HIS 75 -18.781 -5.439 -2.210 556 HE2 HIS 75 HE2 HIS 75 -18.264 -7.844 -2.720 557 H HIS 76 H HIS 76 -24.416 -10.570 -2.722 558 HA HIS 76 HA HIS 76 -26.455 -11.456 -2.306 559 HB2 HIS 76 2HB HIS 76 -26.590 -9.697 -0.599 560 HB3 HIS 76 1HB HIS 76 -27.277 -8.587 -1.781 561 HD1 HIS 76 HD1 HIS 76 -28.146 -12.090 -0.547 562 HD2 HIS 76 HD2 HIS 76 -29.965 -8.477 -1.497 563 HE1 HIS 76 HE1 HIS 76 -30.594 -12.444 -0.133 564 HE2 HIS 76 HE2 HIS 76 -31.688 -10.306 -0.871 565 H HIS 77 H HIS 77 -27.507 -12.363 -3.933 566 HA HIS 77 HA HIS 77 -28.998 -10.693 -5.841 567 HB2 HIS 77 2HB HIS 77 -28.127 -12.096 -7.728 568 HB3 HIS 77 1HB HIS 77 -26.902 -11.084 -6.970 569 HD1 HIS 77 HD1 HIS 77 -28.122 -14.686 -6.750 570 HD2 HIS 77 HD2 HIS 77 -24.655 -12.441 -6.312 571 HE1 HIS 77 HE1 HIS 77 -26.307 -16.346 -6.281 572 HE2 HIS 77 HE2 HIS 77 -24.199 -14.981 -6.163 573 H HIS 78 H HIS 78 -29.923 -12.635 -7.539 574 HA HIS 78 HA HIS 78 -31.580 -14.297 -5.791 575 HB2 HIS 78 2HB HIS 78 -32.836 -14.763 -7.955 576 HB3 HIS 78 1HB HIS 78 -32.857 -13.098 -7.389 577 HD1 HIS 78 HD1 HIS 78 -31.508 -11.354 -8.782 578 HD2 HIS 78 HD2 HIS 78 -31.586 -15.170 -10.422 579 HE1 HIS 78 HE1 HIS 78 -30.654 -11.096 -11.124 580 HE2 HIS 78 HE2 HIS 78 -30.929 -13.367 -12.156 Start of MODEL 17 1 H1 MET 1 1H MET 1 -3.370 -10.573 -2.941 2 H2 MET 1 2H MET 1 -4.299 -11.461 -1.844 3 H3 MET 1 3H MET 1 -2.936 -12.164 -2.559 4 HA MET 1 HA MET 1 -2.558 -11.496 -0.246 5 HB2 MET 1 2HB MET 1 -0.411 -10.371 -0.667 6 HB3 MET 1 1HB MET 1 -0.683 -11.685 -1.798 7 HG2 MET 1 2HG MET 1 -1.377 -10.048 -3.500 8 HG3 MET 1 1HG MET 1 -1.024 -8.747 -2.364 9 HE1 MET 1 3HE MET 1 1.918 -8.496 -4.972 10 HE2 MET 1 1HE MET 1 0.603 -7.625 -4.180 11 HE3 MET 1 2HE MET 1 0.243 -8.934 -5.307 12 H ASN 2 H ASN 2 -2.192 -9.794 1.273 13 HA ASN 2 HA ASN 2 -3.859 -7.434 0.831 14 HB2 ASN 2 2HB ASN 2 -2.539 -8.622 3.275 15 HB3 ASN 2 1HB ASN 2 -3.289 -7.029 3.304 16 HD21 ASN 2 1HD2 ASN 2 -5.508 -6.852 3.068 17 HD22 ASN 2 2HD2 ASN 2 -6.563 -8.200 3.300 18 H LEU 3 H LEU 3 -3.068 -5.480 0.324 19 HA LEU 3 HA LEU 3 -0.233 -4.889 0.919 20 HB2 LEU 3 2HB LEU 3 -1.789 -3.945 -1.494 21 HB3 LEU 3 1HB LEU 3 -0.112 -3.580 -1.139 22 HG LEU 3 HG LEU 3 -1.221 -6.318 -1.798 23 HD11 LEU 3 1HD1 LEU 3 -1.174 -4.830 -3.734 24 HD12 LEU 3 2HD1 LEU 3 0.043 -6.100 -3.874 25 HD13 LEU 3 3HD1 LEU 3 0.524 -4.464 -3.421 26 HD21 LEU 3 3HD2 LEU 3 0.668 -6.437 -0.242 27 HD22 LEU 3 1HD2 LEU 3 1.631 -5.443 -1.336 28 HD23 LEU 3 2HD2 LEU 3 1.104 -7.050 -1.837 29 H THR 4 H THR 4 0.122 -3.052 2.048 30 HA THR 4 HA THR 4 -2.169 -1.338 2.679 31 HB THR 4 HB THR 4 0.597 -1.319 3.923 32 HG1 THR 4 HG1 THR 4 -0.067 -2.951 5.086 33 HG21 THR 4 3HG2 THR 4 -0.630 0.782 4.246 34 HG22 THR 4 1HG2 THR 4 -0.501 -0.109 5.762 35 HG23 THR 4 2HG2 THR 4 -2.018 -0.114 4.863 36 H VAL 5 H VAL 5 -2.302 -0.159 0.732 37 HA VAL 5 HA VAL 5 0.005 1.389 -0.154 38 HB VAL 5 HB VAL 5 -1.348 0.310 -1.871 39 HG11 VAL 5 1HG1 VAL 5 -3.509 0.286 -0.740 40 HG12 VAL 5 2HG1 VAL 5 -3.649 1.003 -2.345 41 HG13 VAL 5 3HG1 VAL 5 -3.633 2.037 -0.916 42 HG21 VAL 5 3HG2 VAL 5 -0.213 2.386 -2.463 43 HG22 VAL 5 1HG2 VAL 5 -1.626 3.317 -1.957 44 HG23 VAL 5 2HG2 VAL 5 -1.733 2.232 -3.343 45 H ASN 6 H ASN 6 0.395 3.403 0.523 46 HA ASN 6 HA ASN 6 0.149 5.516 1.364 47 HB2 ASN 6 2HB ASN 6 -2.783 5.310 0.646 48 HB3 ASN 6 1HB ASN 6 -1.828 6.775 0.833 49 HD21 ASN 6 1HD2 ASN 6 0.457 5.671 -0.650 50 HD22 ASN 6 2HD2 ASN 6 -0.030 5.702 -2.302 51 H GLY 7 H GLY 7 -0.400 3.110 3.076 52 HA2 GLY 7 2HA GLY 7 -0.997 2.760 5.289 53 HA3 GLY 7 1HA GLY 7 -1.546 4.427 5.369 54 H LYS 8 H LYS 8 -2.835 2.614 2.790 55 HA LYS 8 HA LYS 8 -5.384 2.234 4.229 56 HB2 LYS 8 2HB LYS 8 -4.871 2.720 1.280 57 HB3 LYS 8 1HB LYS 8 -6.453 2.406 1.985 58 HG2 LYS 8 2HG LYS 8 -6.410 4.459 3.197 59 HG3 LYS 8 1HG LYS 8 -4.715 4.733 2.788 60 HD2 LYS 8 2HD LYS 8 -6.247 6.119 1.442 61 HD3 LYS 8 1HD LYS 8 -5.285 5.024 0.451 62 HE2 LYS 8 2HE LYS 8 -7.205 3.478 0.331 63 HE3 LYS 8 1HE LYS 8 -8.157 4.605 1.297 64 HZ1 LYS 8 3HZ LYS 8 -7.974 6.238 -0.442 65 HZ2 LYS 8 1HZ LYS 8 -8.589 4.802 -1.094 66 HZ3 LYS 8 2HZ LYS 8 -6.971 5.228 -1.354 67 HA PRO 9 HA PRO 9 -4.663 -2.118 3.540 68 HB2 PRO 9 2HB PRO 9 -7.059 -3.067 4.371 69 HB3 PRO 9 1HB PRO 9 -5.851 -2.428 5.494 70 HG2 PRO 9 2HG PRO 9 -8.280 -1.083 4.359 71 HG3 PRO 9 1HG PRO 9 -7.677 -1.074 6.027 72 HD2 PRO 9 2HD PRO 9 -7.249 0.975 4.290 73 HD3 PRO 9 1HD PRO 9 -6.109 0.558 5.584 74 H SER 10 H SER 10 -4.488 -2.187 1.275 75 HA SER 10 HA SER 10 -6.964 -2.526 -0.271 76 HB2 SER 10 2HB SER 10 -5.350 -1.006 -1.259 77 HB3 SER 10 1HB SER 10 -4.093 -2.241 -1.188 78 HG SER 10 HG SER 10 -4.814 -3.014 -2.998 79 H THR 11 H THR 11 -7.710 -4.548 0.004 80 HA THR 11 HA THR 11 -5.941 -6.848 0.056 81 HB THR 11 HB THR 11 -8.972 -6.813 -0.046 82 HG1 THR 11 HG1 THR 11 -8.321 -5.795 1.844 83 HG21 THR 11 3HG2 THR 11 -7.976 -8.969 -0.697 84 HG22 THR 11 1HG2 THR 11 -8.803 -9.085 0.855 85 HG23 THR 11 2HG2 THR 11 -7.044 -8.989 0.801 86 H VAL 12 H VAL 12 -4.965 -6.998 -1.955 87 HA VAL 12 HA VAL 12 -6.671 -7.105 -4.327 88 HB VAL 12 HB VAL 12 -4.547 -7.184 -5.624 89 HG11 VAL 12 1HG1 VAL 12 -4.763 -4.898 -3.656 90 HG12 VAL 12 2HG1 VAL 12 -5.650 -5.051 -5.173 91 HG13 VAL 12 3HG1 VAL 12 -3.896 -4.858 -5.194 92 HG21 VAL 12 3HG2 VAL 12 -2.421 -6.707 -4.491 93 HG22 VAL 12 1HG2 VAL 12 -3.097 -8.247 -3.965 94 HG23 VAL 12 2HG2 VAL 12 -3.224 -6.827 -2.925 95 H ASP 13 H ASP 13 -7.676 -9.033 -4.492 96 HA ASP 13 HA ASP 13 -6.215 -11.507 -3.999 97 HB2 ASP 13 2HB ASP 13 -8.582 -11.226 -3.239 98 HB3 ASP 13 1HB ASP 13 -9.076 -11.145 -4.931 99 H GLY 14 H GLY 14 -6.085 -13.211 -5.615 100 HA2 GLY 14 2HA GLY 14 -5.705 -13.955 -7.808 101 HA3 GLY 14 1HA GLY 14 -6.157 -12.366 -8.414 102 H ALA 15 H ALA 15 -3.963 -12.457 -5.799 103 HA ALA 15 HA ALA 15 -1.577 -12.275 -7.486 104 HB1 ALA 15 3HB ALA 15 -2.390 -9.973 -7.283 105 HB2 ALA 15 1HB ALA 15 -0.869 -10.181 -6.419 106 HB3 ALA 15 2HB ALA 15 -2.389 -10.117 -5.527 107 H GLU 16 H GLU 16 -0.161 -13.641 -6.639 108 HA GLU 16 HA GLU 16 -0.365 -14.506 -3.856 109 HB2 GLU 16 2HB GLU 16 1.453 -15.504 -6.063 110 HB3 GLU 16 1HB GLU 16 1.134 -16.303 -4.531 111 HG2 GLU 16 2HG GLU 16 -1.039 -16.913 -5.164 112 HG3 GLU 16 1HG GLU 16 -1.070 -15.753 -6.494 113 H SER 17 H SER 17 2.310 -13.670 -6.034 114 HA SER 17 HA SER 17 3.537 -11.778 -4.333 115 HB2 SER 17 2HB SER 17 5.610 -13.104 -3.795 116 HB3 SER 17 1HB SER 17 4.173 -13.616 -2.917 117 HG SER 17 HG SER 17 4.886 -14.875 -5.343 118 H LEU 18 H LEU 18 4.157 -10.469 -5.934 119 HA LEU 18 HA LEU 18 5.541 -11.627 -8.259 120 HB2 LEU 18 2HB LEU 18 4.160 -9.948 -9.645 121 HB3 LEU 18 1HB LEU 18 3.418 -11.448 -9.145 122 HG LEU 18 HG LEU 18 2.310 -10.208 -7.266 123 HD11 LEU 18 1HD1 LEU 18 3.356 -7.768 -8.695 124 HD12 LEU 18 2HD1 LEU 18 3.801 -8.308 -7.074 125 HD13 LEU 18 3HD1 LEU 18 2.154 -7.769 -7.402 126 HD21 LEU 18 3HD2 LEU 18 1.106 -10.729 -9.312 127 HD22 LEU 18 1HD2 LEU 18 1.698 -9.243 -10.058 128 HD23 LEU 18 2HD2 LEU 18 0.604 -9.161 -8.676 129 H ASN 19 H ASN 19 6.669 -10.032 -9.611 130 HA ASN 19 HA ASN 19 8.288 -8.273 -8.103 131 HB2 ASN 19 2HB ASN 19 7.847 -8.250 -11.100 132 HB3 ASN 19 1HB ASN 19 9.237 -7.597 -10.235 133 HD21 ASN 19 1HD2 ASN 19 9.065 -9.660 -12.317 134 HD22 ASN 19 2HD2 ASN 19 9.810 -11.061 -11.644 135 H VAL 20 H VAL 20 8.444 -5.923 -8.254 136 HA VAL 20 HA VAL 20 6.037 -4.528 -7.985 137 HB VAL 20 HB VAL 20 8.685 -3.337 -8.851 138 HG11 VAL 20 1HG1 VAL 20 7.856 -1.275 -7.825 139 HG12 VAL 20 2HG1 VAL 20 6.328 -2.067 -7.444 140 HG13 VAL 20 3HG1 VAL 20 6.791 -1.803 -9.126 141 HG21 VAL 20 3HG2 VAL 20 8.928 -4.693 -6.822 142 HG22 VAL 20 1HG2 VAL 20 7.618 -3.790 -6.060 143 HG23 VAL 20 2HG2 VAL 20 9.127 -2.976 -6.476 144 H THR 21 H THR 21 8.060 -5.054 -10.838 145 HA THR 21 HA THR 21 6.681 -3.501 -12.712 146 HB THR 21 HB THR 21 7.929 -6.212 -13.246 147 HG1 THR 21 HG1 THR 21 9.735 -4.639 -13.870 148 HG21 THR 21 3HG2 THR 21 7.498 -3.821 -15.053 149 HG22 THR 21 1HG2 THR 21 6.601 -5.339 -15.116 150 HG23 THR 21 2HG2 THR 21 8.322 -5.315 -15.499 151 H GLU 22 H GLU 22 6.153 -6.920 -11.805 152 HA GLU 22 HA GLU 22 3.895 -7.370 -13.420 153 HB2 GLU 22 2HB GLU 22 4.642 -8.651 -10.783 154 HB3 GLU 22 1HB GLU 22 3.411 -9.263 -11.880 155 HG2 GLU 22 2HG GLU 22 5.162 -9.557 -13.611 156 HG3 GLU 22 1HG GLU 22 6.370 -9.047 -12.435 157 H LEU 23 H LEU 23 4.196 -6.061 -10.144 158 HA LEU 23 HA LEU 23 1.473 -5.844 -9.505 159 HB2 LEU 23 2HB LEU 23 3.287 -5.469 -7.894 160 HB3 LEU 23 1HB LEU 23 3.759 -4.014 -8.749 161 HG LEU 23 HG LEU 23 1.563 -2.996 -8.168 162 HD11 LEU 23 1HD1 LEU 23 0.237 -5.020 -7.916 163 HD12 LEU 23 2HD1 LEU 23 0.184 -4.064 -6.437 164 HD13 LEU 23 3HD1 LEU 23 1.201 -5.502 -6.521 165 HD21 LEU 23 3HD2 LEU 23 3.164 -3.991 -5.810 166 HD22 LEU 23 1HD2 LEU 23 2.074 -2.607 -5.812 167 HD23 LEU 23 2HD2 LEU 23 3.541 -2.575 -6.792 168 H LEU 24 H LEU 24 3.624 -3.521 -11.155 169 HA LEU 24 HA LEU 24 1.720 -1.531 -11.709 170 HB2 LEU 24 2HB LEU 24 4.129 -2.353 -13.344 171 HB3 LEU 24 1HB LEU 24 3.241 -0.853 -13.541 172 HG LEU 24 HG LEU 24 4.720 -1.638 -11.020 173 HD11 LEU 24 1HD1 LEU 24 6.273 -1.289 -12.876 174 HD12 LEU 24 2HD1 LEU 24 6.397 0.001 -11.682 175 HD13 LEU 24 3HD1 LEU 24 5.541 0.283 -13.199 176 HD21 LEU 24 3HD2 LEU 24 4.407 0.721 -10.411 177 HD22 LEU 24 1HD2 LEU 24 2.870 -0.123 -10.595 178 HD23 LEU 24 2HD2 LEU 24 3.439 0.962 -11.865 179 H SER 25 H SER 25 2.508 -4.526 -13.395 180 HA SER 25 HA SER 25 0.845 -4.130 -15.670 181 HB2 SER 25 2HB SER 25 2.611 -5.828 -15.654 182 HB3 SER 25 1HB SER 25 1.782 -6.709 -14.374 183 HG SER 25 HG SER 25 1.464 -6.956 -16.982 184 H ALA 26 H ALA 26 0.284 -5.663 -12.520 185 HA ALA 26 HA ALA 26 -2.345 -6.583 -13.020 186 HB1 ALA 26 3HB ALA 26 -1.056 -5.883 -10.377 187 HB2 ALA 26 1HB ALA 26 -0.961 -7.445 -11.192 188 HB3 ALA 26 2HB ALA 26 -2.512 -6.856 -10.596 189 H LEU 27 H LEU 27 -1.116 -3.565 -11.600 190 HA LEU 27 HA LEU 27 -3.754 -2.444 -11.218 191 HB2 LEU 27 2HB LEU 27 -1.033 -1.119 -11.129 192 HB3 LEU 27 1HB LEU 27 -2.538 -0.393 -10.595 193 HG LEU 27 HG LEU 27 -1.214 -2.815 -9.351 194 HD11 LEU 27 1HD1 LEU 27 -1.451 0.026 -8.354 195 HD12 LEU 27 2HD1 LEU 27 0.025 -0.772 -8.898 196 HD13 LEU 27 3HD1 LEU 27 -0.795 -1.334 -7.441 197 HD21 LEU 27 3HD2 LEU 27 -3.705 -1.302 -8.546 198 HD22 LEU 27 1HD2 LEU 27 -2.921 -2.561 -7.587 199 HD23 LEU 27 2HD2 LEU 27 -3.627 -2.957 -9.153 200 H LYS 28 H LYS 28 -1.704 -2.836 -13.843 201 HA LYS 28 HA LYS 28 -1.651 -2.119 -15.980 202 HB2 LYS 28 2HB LYS 28 -4.044 -2.770 -15.855 203 HB3 LYS 28 1HB LYS 28 -4.452 -1.115 -15.425 204 HG2 LYS 28 2HG LYS 28 -3.641 -0.326 -17.577 205 HG3 LYS 28 1HG LYS 28 -3.147 -1.964 -18.011 206 HD2 LYS 28 2HD LYS 28 -5.462 -2.711 -17.944 207 HD3 LYS 28 1HD LYS 28 -5.987 -1.113 -17.409 208 HE2 LYS 28 2HE LYS 28 -4.616 -1.689 -20.037 209 HE3 LYS 28 1HE LYS 28 -6.358 -1.516 -19.829 210 HZ1 LYS 28 3HZ LYS 28 -6.078 0.738 -19.160 211 HZ2 LYS 28 1HZ LYS 28 -5.235 0.524 -20.610 212 HZ3 LYS 28 2HZ LYS 28 -4.392 0.602 -19.143 213 H VAL 29 H VAL 29 -0.078 -0.559 -14.854 214 HA VAL 29 HA VAL 29 -0.882 2.247 -15.206 215 HB VAL 29 HB VAL 29 1.692 1.131 -14.053 216 HG11 VAL 29 1HG1 VAL 29 1.985 3.368 -14.972 217 HG12 VAL 29 2HG1 VAL 29 2.052 3.412 -13.210 218 HG13 VAL 29 3HG1 VAL 29 0.597 3.950 -14.050 219 HG21 VAL 29 3HG2 VAL 29 -0.747 2.229 -12.634 220 HG22 VAL 29 1HG2 VAL 29 0.775 1.775 -11.860 221 HG23 VAL 29 2HG2 VAL 29 -0.215 0.546 -12.647 222 H ALA 30 H ALA 30 -0.569 3.083 -17.193 223 HA ALA 30 HA ALA 30 0.924 1.905 -19.241 224 HB1 ALA 30 3HB ALA 30 -0.892 3.508 -19.626 225 HB2 ALA 30 1HB ALA 30 0.580 3.964 -20.487 226 HB3 ALA 30 2HB ALA 30 0.128 4.805 -19.003 227 H GLN 31 H GLN 31 1.866 4.440 -16.949 228 HA GLN 31 HA GLN 31 4.529 4.608 -18.162 229 HB2 GLN 31 2HB GLN 31 3.223 6.248 -15.980 230 HB3 GLN 31 1HB GLN 31 4.876 6.484 -16.531 231 HG2 GLN 31 2HG GLN 31 4.083 7.061 -18.747 232 HG3 GLN 31 1HG GLN 31 2.420 6.738 -18.257 233 HE21 GLN 31 1HE2 GLN 31 1.774 8.840 -18.730 234 HE22 GLN 31 2HE2 GLN 31 2.222 10.188 -17.747 235 H ALA 32 H ALA 32 5.188 2.459 -17.479 236 HA ALA 32 HA ALA 32 5.603 1.979 -14.639 237 HB1 ALA 32 3HB ALA 32 6.577 0.410 -17.038 238 HB2 ALA 32 1HB ALA 32 5.092 0.100 -16.140 239 HB3 ALA 32 2HB ALA 32 6.657 -0.115 -15.357 240 H GLU 33 H GLU 33 7.481 2.880 -17.457 241 HA GLU 33 HA GLU 33 10.057 2.909 -16.287 242 HB2 GLU 33 2HB GLU 33 9.672 2.831 -18.708 243 HB3 GLU 33 1HB GLU 33 8.927 4.420 -18.664 244 HG2 GLU 33 2HG GLU 33 11.145 4.613 -19.542 245 HG3 GLU 33 1HG GLU 33 11.092 5.379 -17.956 246 H TYR 34 H TYR 34 7.389 5.049 -15.952 247 HA TYR 34 HA TYR 34 9.138 7.209 -14.938 248 HB2 TYR 34 2HB TYR 34 6.468 7.609 -16.308 249 HB3 TYR 34 1HB TYR 34 7.621 8.853 -15.836 250 HD1 TYR 34 HD1 TYR 34 9.829 8.996 -17.063 251 HD2 TYR 34 HD2 TYR 34 6.645 6.496 -18.390 252 HE1 TYR 34 HE1 TYR 34 10.881 8.839 -19.277 253 HE2 TYR 34 HE2 TYR 34 7.690 6.333 -20.607 254 HH TYR 34 HH TYR 34 10.871 7.243 -21.201 255 H VAL 35 H VAL 35 7.316 4.932 -13.677 256 HA VAL 35 HA VAL 35 5.403 6.522 -12.179 257 HB VAL 35 HB VAL 35 4.788 4.244 -12.914 258 HG11 VAL 35 1HG1 VAL 35 6.856 3.307 -10.924 259 HG12 VAL 35 2HG1 VAL 35 6.943 3.138 -12.679 260 HG13 VAL 35 3HG1 VAL 35 5.700 2.277 -11.771 261 HG21 VAL 35 3HG2 VAL 35 3.618 5.240 -11.037 262 HG22 VAL 35 1HG2 VAL 35 4.834 4.622 -9.921 263 HG23 VAL 35 2HG2 VAL 35 3.788 3.503 -10.794 264 H THR 36 H THR 36 5.648 7.328 -10.181 265 HA THR 36 HA THR 36 8.115 6.770 -8.704 266 HB THR 36 HB THR 36 5.964 8.828 -8.115 267 HG1 THR 36 HG1 THR 36 7.088 10.187 -9.331 268 HG21 THR 36 3HG2 THR 36 7.232 8.238 -6.118 269 HG22 THR 36 1HG2 THR 36 7.676 9.855 -6.665 270 HG23 THR 36 2HG2 THR 36 8.749 8.492 -6.982 271 H VAL 37 H VAL 37 7.903 4.886 -7.581 272 HA VAL 37 HA VAL 37 5.625 4.680 -5.706 273 HB VAL 37 HB VAL 37 5.791 2.228 -5.831 274 HG11 VAL 37 1HG1 VAL 37 4.811 1.936 -8.049 275 HG12 VAL 37 2HG1 VAL 37 5.427 3.513 -8.537 276 HG13 VAL 37 3HG1 VAL 37 4.201 3.400 -7.276 277 HG21 VAL 37 3HG2 VAL 37 7.133 1.154 -7.590 278 HG22 VAL 37 1HG2 VAL 37 8.147 2.022 -6.437 279 HG23 VAL 37 2HG2 VAL 37 7.817 2.723 -8.021 280 H GLU 38 H GLU 38 6.060 4.230 -3.588 281 HA GLU 38 HA GLU 38 8.822 3.474 -2.890 282 HB2 GLU 38 2HB GLU 38 8.707 4.941 -0.896 283 HB3 GLU 38 1HB GLU 38 8.652 5.830 -2.411 284 HG2 GLU 38 2HG GLU 38 6.247 6.121 -2.175 285 HG3 GLU 38 1HG GLU 38 6.270 5.193 -0.675 286 H LEU 39 H LEU 39 8.735 1.485 -2.092 287 HA LEU 39 HA LEU 39 6.405 0.442 -0.753 288 HB2 LEU 39 2HB LEU 39 9.093 -0.657 -1.474 289 HB3 LEU 39 1HB LEU 39 8.150 -1.480 -0.247 290 HG LEU 39 HG LEU 39 6.280 -1.644 -1.934 291 HD11 LEU 39 1HD1 LEU 39 6.863 -1.436 -4.297 292 HD12 LEU 39 2HD1 LEU 39 8.453 -0.810 -3.854 293 HD13 LEU 39 3HD1 LEU 39 7.001 0.111 -3.462 294 HD21 LEU 39 3HD2 LEU 39 8.885 -3.022 -2.585 295 HD22 LEU 39 1HD2 LEU 39 7.268 -3.583 -3.023 296 HD23 LEU 39 2HD2 LEU 39 7.745 -3.504 -1.325 297 H ASN 40 H ASN 40 5.966 0.494 1.350 298 HA ASN 40 HA ASN 40 6.194 0.578 3.614 299 HB2 ASN 40 2HB ASN 40 9.048 -0.307 3.121 300 HB3 ASN 40 1HB ASN 40 8.098 -0.555 4.574 301 HD21 ASN 40 1HD2 ASN 40 6.422 -2.094 4.554 302 HD22 ASN 40 2HD2 ASN 40 6.359 -3.334 3.353 303 H GLY 41 H GLY 41 7.035 2.921 1.883 304 HA2 GLY 41 2HA GLY 41 7.572 5.120 2.494 305 HA3 GLY 41 1HA GLY 41 8.256 4.518 3.994 306 H GLU 42 H GLU 42 9.287 2.982 1.076 307 HA GLU 42 HA GLU 42 11.755 4.595 0.987 308 HB2 GLU 42 2HB GLU 42 12.151 2.549 2.321 309 HB3 GLU 42 1HB GLU 42 11.623 1.569 0.961 310 HG2 GLU 42 2HG GLU 42 13.509 2.391 -0.369 311 HG3 GLU 42 1HG GLU 42 14.036 3.384 0.991 312 H VAL 43 H VAL 43 12.257 5.228 -1.041 313 HA VAL 43 HA VAL 43 10.632 4.406 -3.260 314 HB VAL 43 HB VAL 43 11.407 6.732 -3.006 315 HG11 VAL 43 1HG1 VAL 43 13.631 6.367 -2.111 316 HG12 VAL 43 2HG1 VAL 43 13.731 7.336 -3.582 317 HG13 VAL 43 3HG1 VAL 43 14.150 5.623 -3.625 318 HG21 VAL 43 3HG2 VAL 43 10.726 5.925 -5.209 319 HG22 VAL 43 1HG2 VAL 43 12.377 5.405 -5.544 320 HG23 VAL 43 2HG2 VAL 43 12.014 7.120 -5.350 321 H LEU 44 H LEU 44 11.223 3.285 -5.128 322 HA LEU 44 HA LEU 44 13.615 1.581 -4.860 323 HB2 LEU 44 2HB LEU 44 10.982 1.187 -6.255 324 HB3 LEU 44 1HB LEU 44 12.374 0.211 -6.673 325 HG LEU 44 HG LEU 44 12.484 -0.583 -4.316 326 HD11 LEU 44 1HD1 LEU 44 11.392 1.283 -3.202 327 HD12 LEU 44 2HD1 LEU 44 10.569 -0.232 -2.838 328 HD13 LEU 44 3HD1 LEU 44 9.868 0.892 -4.004 329 HD21 LEU 44 3HD2 LEU 44 9.859 -1.055 -5.732 330 HD22 LEU 44 1HD2 LEU 44 10.548 -2.076 -4.467 331 HD23 LEU 44 2HD2 LEU 44 11.372 -1.916 -6.016 332 H GLU 45 H GLU 45 14.255 0.685 -7.181 333 HA GLU 45 HA GLU 45 14.857 3.035 -8.865 334 HB2 GLU 45 2HB GLU 45 16.744 1.797 -7.759 335 HB3 GLU 45 1HB GLU 45 16.323 0.387 -8.714 336 HG2 GLU 45 2HG GLU 45 16.952 2.970 -10.085 337 HG3 GLU 45 1HG GLU 45 18.259 1.977 -9.450 338 H ARG 46 H ARG 46 14.768 2.804 -11.198 339 HA ARG 46 HA ARG 46 12.324 1.940 -12.087 340 HB2 ARG 46 2HB ARG 46 13.161 2.194 -14.389 341 HB3 ARG 46 1HB ARG 46 13.651 3.523 -13.350 342 HG2 ARG 46 2HG ARG 46 15.885 2.704 -13.210 343 HG3 ARG 46 1HG ARG 46 15.440 1.185 -13.985 344 HD2 ARG 46 2HD ARG 46 15.328 3.899 -15.300 345 HD3 ARG 46 1HD ARG 46 16.635 2.732 -15.495 346 HE ARG 46 HE ARG 46 13.863 2.351 -16.423 347 HH11 ARG 46 1HH1 ARG 46 17.231 1.635 -16.642 348 HH12 ARG 46 2HH1 ARG 46 17.033 0.672 -18.066 349 HH21 ARG 46 1HH2 ARG 46 13.641 1.140 -18.256 350 HH22 ARG 46 2HH2 ARG 46 15.035 0.395 -18.967 351 H GLU 47 H GLU 47 15.371 0.095 -12.572 352 HA GLU 47 HA GLU 47 13.772 -2.061 -13.765 353 HB2 GLU 47 2HB GLU 47 15.790 -1.187 -14.962 354 HB3 GLU 47 1HB GLU 47 16.785 -1.808 -13.654 355 HG2 GLU 47 2HG GLU 47 16.408 -4.022 -14.242 356 HG3 GLU 47 1HG GLU 47 14.928 -3.641 -15.120 357 H ALA 48 H ALA 48 15.068 -1.190 -10.804 358 HA ALA 48 HA ALA 48 15.547 -3.761 -9.680 359 HB1 ALA 48 3HB ALA 48 15.341 -2.664 -7.518 360 HB2 ALA 48 1HB ALA 48 14.628 -1.244 -8.283 361 HB3 ALA 48 2HB ALA 48 16.307 -1.672 -8.611 362 H PHE 49 H PHE 49 12.668 -1.959 -10.437 363 HA PHE 49 HA PHE 49 10.710 -3.149 -8.897 364 HB2 PHE 49 2HB PHE 49 10.554 -2.499 -11.857 365 HB3 PHE 49 1HB PHE 49 9.169 -2.812 -10.822 366 HD1 PHE 49 HD2 PHE 49 10.766 -1.148 -8.503 367 HD2 PHE 49 HD1 PHE 49 9.395 -0.387 -12.467 368 HE1 PHE 49 HE2 PHE 49 10.610 1.251 -7.994 369 HE2 PHE 49 HE1 PHE 49 9.241 2.014 -11.954 370 HZ PHE 49 HZ PHE 49 9.853 2.836 -9.715 371 H ASP 50 H ASP 50 12.254 -4.403 -11.825 372 HA ASP 50 HA ASP 50 10.719 -6.760 -12.092 373 HB2 ASP 50 2HB ASP 50 13.564 -6.245 -13.005 374 HB3 ASP 50 1HB ASP 50 12.486 -7.497 -13.619 375 H ALA 51 H ALA 51 13.612 -6.008 -10.230 376 HA ALA 51 HA ALA 51 14.031 -8.814 -9.522 377 HB1 ALA 51 3HB ALA 51 16.103 -8.054 -8.505 378 HB2 ALA 51 1HB ALA 51 15.643 -6.373 -8.781 379 HB3 ALA 51 2HB ALA 51 15.959 -7.437 -10.151 380 H THR 52 H THR 52 12.184 -6.310 -8.299 381 HA THR 52 HA THR 52 12.478 -7.186 -5.492 382 HB THR 52 HB THR 52 11.032 -4.735 -6.546 383 HG1 THR 52 HG1 THR 52 13.366 -4.683 -6.758 384 HG21 THR 52 3HG2 THR 52 11.743 -5.578 -3.725 385 HG22 THR 52 1HG2 THR 52 10.121 -5.521 -4.416 386 HG23 THR 52 2HG2 THR 52 11.031 -4.029 -4.178 387 H THR 53 H THR 53 11.052 -8.668 -4.796 388 HA THR 53 HA THR 53 8.521 -9.020 -6.233 389 HB THR 53 HB THR 53 8.336 -11.160 -4.999 390 HG1 THR 53 HG1 THR 53 9.603 -10.457 -3.136 391 HG21 THR 53 3HG2 THR 53 9.459 -11.117 -7.172 392 HG22 THR 53 1HG2 THR 53 10.199 -12.310 -6.103 393 HG23 THR 53 2HG2 THR 53 10.995 -10.760 -6.381 394 H VAL 54 H VAL 54 6.837 -7.904 -5.491 395 HA VAL 54 HA VAL 54 6.428 -7.224 -2.718 396 HB VAL 54 HB VAL 54 4.531 -7.035 -5.077 397 HG11 VAL 54 1HG1 VAL 54 4.371 -5.735 -2.354 398 HG12 VAL 54 2HG1 VAL 54 3.318 -7.008 -2.972 399 HG13 VAL 54 3HG1 VAL 54 3.294 -5.409 -3.711 400 HG21 VAL 54 3HG2 VAL 54 6.534 -5.705 -5.451 401 HG22 VAL 54 1HG2 VAL 54 6.345 -4.935 -3.874 402 HG23 VAL 54 2HG2 VAL 54 5.152 -4.656 -5.142 403 H LYS 55 H LYS 55 5.183 -8.302 -1.221 404 HA LYS 55 HA LYS 55 3.674 -10.678 -2.119 405 HB2 LYS 55 2HB LYS 55 5.486 -10.624 0.306 406 HB3 LYS 55 1HB LYS 55 4.566 -12.000 -0.286 407 HG2 LYS 55 2HG LYS 55 5.938 -11.926 -2.374 408 HG3 LYS 55 1HG LYS 55 6.925 -10.675 -1.622 409 HD2 LYS 55 2HD LYS 55 6.551 -13.518 -0.662 410 HD3 LYS 55 1HD LYS 55 8.015 -12.819 -1.356 411 HE2 LYS 55 2HE LYS 55 8.132 -11.262 0.571 412 HE3 LYS 55 1HE LYS 55 6.726 -12.062 1.271 413 HZ1 LYS 55 3HZ LYS 55 8.054 -14.157 1.203 414 HZ2 LYS 55 1HZ LYS 55 8.649 -12.985 2.270 415 HZ3 LYS 55 2HZ LYS 55 9.403 -13.235 0.778 416 H ASP 56 H ASP 56 2.701 -11.636 0.202 417 HA ASP 56 HA ASP 56 0.598 -9.852 0.834 418 HB2 ASP 56 2HB ASP 56 0.360 -12.306 0.894 419 HB3 ASP 56 1HB ASP 56 1.447 -12.376 2.279 420 H GLY 57 H GLY 57 0.490 -8.263 2.282 421 HA2 GLY 57 2HA GLY 57 0.781 -7.212 4.363 422 HA3 GLY 57 1HA GLY 57 2.068 -8.345 4.738 423 H ASP 58 H ASP 58 1.956 -6.538 1.733 424 HA ASP 58 HA ASP 58 4.463 -5.207 2.465 425 HB2 ASP 58 2HB ASP 58 4.194 -6.470 0.289 426 HB3 ASP 58 1HB ASP 58 3.056 -5.226 -0.221 427 H ALA 59 H ALA 59 4.578 -2.859 1.311 428 HA ALA 59 HA ALA 59 2.133 -1.353 1.905 429 HB1 ALA 59 3HB ALA 59 3.309 0.224 3.342 430 HB2 ALA 59 1HB ALA 59 4.791 -0.718 3.186 431 HB3 ALA 59 2HB ALA 59 3.390 -1.409 4.004 432 H VAL 60 H VAL 60 3.312 -1.893 -0.614 433 HA VAL 60 HA VAL 60 4.830 0.159 -1.701 434 HB VAL 60 HB VAL 60 4.346 -1.779 -3.024 435 HG11 VAL 60 1HG1 VAL 60 1.441 -0.944 -3.004 436 HG12 VAL 60 2HG1 VAL 60 2.131 -2.314 -2.136 437 HG13 VAL 60 3HG1 VAL 60 2.119 -2.304 -3.899 438 HG21 VAL 60 3HG2 VAL 60 3.626 -0.764 -5.154 439 HG22 VAL 60 1HG2 VAL 60 4.776 0.258 -4.292 440 HG23 VAL 60 2HG2 VAL 60 3.058 0.656 -4.278 441 H GLU 61 H GLU 61 4.451 2.248 -1.210 442 HA GLU 61 HA GLU 61 1.738 3.312 -1.246 443 HB2 GLU 61 2HB GLU 61 4.369 4.617 -0.506 444 HB3 GLU 61 1HB GLU 61 2.797 5.400 -0.395 445 HG2 GLU 61 2HG GLU 61 2.099 3.577 1.171 446 HG3 GLU 61 1HG GLU 61 3.771 3.021 1.173 447 H PHE 62 H PHE 62 0.898 3.992 -3.094 448 HA PHE 62 HA PHE 62 2.542 5.130 -5.210 449 HB2 PHE 62 2HB PHE 62 -0.275 4.188 -4.975 450 HB3 PHE 62 1HB PHE 62 0.032 5.469 -6.142 451 HD1 PHE 62 HD1 PHE 62 1.222 2.087 -5.128 452 HD2 PHE 62 HD2 PHE 62 0.799 4.948 -8.258 453 HE1 PHE 62 HE1 PHE 62 2.010 0.416 -6.772 454 HE2 PHE 62 HE2 PHE 62 1.582 3.293 -9.895 455 HZ PHE 62 HZ PHE 62 2.193 1.028 -9.158 456 H LEU 63 H LEU 63 2.698 7.251 -5.718 457 HA LEU 63 HA LEU 63 0.892 9.161 -4.421 458 HB2 LEU 63 2HB LEU 63 2.818 10.659 -3.918 459 HB3 LEU 63 1HB LEU 63 2.770 9.195 -2.961 460 HG LEU 63 HG LEU 63 4.542 9.468 -5.392 461 HD11 LEU 63 1HD1 LEU 63 5.253 10.049 -2.514 462 HD12 LEU 63 2HD1 LEU 63 5.122 11.241 -3.807 463 HD13 LEU 63 3HD1 LEU 63 6.377 10.005 -3.874 464 HD21 LEU 63 3HD2 LEU 63 4.133 7.175 -4.632 465 HD22 LEU 63 1HD2 LEU 63 4.636 7.615 -3.000 466 HD23 LEU 63 2HD2 LEU 63 5.801 7.648 -4.323 467 H TYR 64 H TYR 64 0.217 10.764 -5.704 468 HA TYR 64 HA TYR 64 -0.004 12.221 -7.416 469 HB2 TYR 64 2HB TYR 64 2.866 11.565 -8.110 470 HB3 TYR 64 1HB TYR 64 1.941 12.936 -8.715 471 HD1 TYR 64 HD1 TYR 64 0.886 14.461 -6.785 472 HD2 TYR 64 HD2 TYR 64 4.282 11.934 -6.313 473 HE1 TYR 64 HE1 TYR 64 1.610 15.799 -4.853 474 HE2 TYR 64 HE2 TYR 64 5.009 13.262 -4.380 475 HH TYR 64 HH TYR 64 3.001 15.566 -2.863 476 H PHE 65 H PHE 65 0.954 8.967 -8.107 477 HA PHE 65 HA PHE 65 -0.033 9.201 -10.869 478 HB2 PHE 65 2HB PHE 65 1.563 7.027 -9.500 479 HB3 PHE 65 1HB PHE 65 0.897 6.861 -11.121 480 HD1 PHE 65 HD2 PHE 65 3.225 8.874 -9.056 481 HD2 PHE 65 HD1 PHE 65 2.021 7.761 -12.988 482 HE1 PHE 65 HE2 PHE 65 5.208 9.991 -9.975 483 HE2 PHE 65 HE1 PHE 65 4.011 8.879 -13.912 484 HZ PHE 65 HZ PHE 65 5.603 9.994 -12.401 485 H MET 66 H MET 66 -2.243 9.410 -10.155 486 HA MET 66 HA MET 66 -3.536 6.795 -9.899 487 HB2 MET 66 2HB MET 66 -4.077 9.123 -8.041 488 HB3 MET 66 1HB MET 66 -5.145 7.737 -8.207 489 HG2 MET 66 2HG MET 66 -3.336 6.266 -7.458 490 HG3 MET 66 1HG MET 66 -2.291 7.673 -7.258 491 HE1 MET 66 3HE MET 66 -2.935 5.501 -4.964 492 HE2 MET 66 1HE MET 66 -3.116 6.572 -3.574 493 HE3 MET 66 2HE MET 66 -1.834 6.864 -4.749 494 H GLY 67 H GLY 67 -4.984 6.640 -11.483 495 HA2 GLY 67 2HA GLY 67 -6.385 9.093 -12.384 496 HA3 GLY 67 1HA GLY 67 -5.980 7.748 -13.445 497 H GLY 68 H GLY 68 -6.769 5.577 -11.962 498 HA2 GLY 68 2HA GLY 68 -8.603 4.632 -10.768 499 HA3 GLY 68 1HA GLY 68 -9.564 6.048 -11.155 500 H GLY 69 H GLY 69 -8.620 5.848 -14.027 501 HA2 GLY 69 2HA GLY 69 -9.227 4.813 -15.998 502 HA3 GLY 69 1HA GLY 69 -9.612 3.370 -15.073 503 H LYS 70 H LYS 70 -11.707 3.324 -13.959 504 HA LYS 70 HA LYS 70 -13.791 4.567 -15.572 505 HB2 LYS 70 2HB LYS 70 -15.331 3.092 -14.283 506 HB3 LYS 70 1HB LYS 70 -14.062 2.219 -15.132 507 HG2 LYS 70 2HG LYS 70 -12.834 1.899 -13.084 508 HG3 LYS 70 1HG LYS 70 -13.976 2.912 -12.197 509 HD2 LYS 70 2HD LYS 70 -15.765 1.284 -12.681 510 HD3 LYS 70 1HD LYS 70 -14.596 0.269 -13.528 511 HE2 LYS 70 2HE LYS 70 -13.334 -0.045 -11.476 512 HE3 LYS 70 1HE LYS 70 -14.417 1.049 -10.613 513 HZ1 LYS 70 3HZ LYS 70 -15.179 -1.548 -11.828 514 HZ2 LYS 70 1HZ LYS 70 -16.230 -0.494 -11.030 515 HZ3 LYS 70 2HZ LYS 70 -14.980 -1.245 -10.178 516 H LEU 71 H LEU 71 -14.195 6.636 -15.021 517 HA LEU 71 HA LEU 71 -14.132 7.569 -12.292 518 HB2 LEU 71 2HB LEU 71 -14.940 8.881 -14.888 519 HB3 LEU 71 1HB LEU 71 -15.077 9.695 -13.342 520 HG LEU 71 HG LEU 71 -12.617 9.441 -13.031 521 HD11 LEU 71 1HD1 LEU 71 -12.650 8.461 -15.886 522 HD12 LEU 71 2HD1 LEU 71 -12.236 7.503 -14.464 523 HD13 LEU 71 3HD1 LEU 71 -11.214 8.859 -14.942 524 HD21 LEU 71 3HD2 LEU 71 -13.472 10.887 -15.539 525 HD22 LEU 71 1HD2 LEU 71 -11.988 11.182 -14.633 526 HD23 LEU 71 2HD2 LEU 71 -13.553 11.516 -13.893 527 H GLU 72 H GLU 72 -15.679 6.768 -10.992 528 HA GLU 72 HA GLU 72 -17.699 6.248 -10.088 529 HB2 GLU 72 2HB GLU 72 -18.606 8.502 -11.897 530 HB3 GLU 72 1HB GLU 72 -19.616 7.764 -10.665 531 HG2 GLU 72 2HG GLU 72 -18.774 9.774 -9.751 532 HG3 GLU 72 1HG GLU 72 -17.907 8.457 -8.965 533 H HIS 73 H HIS 73 -20.286 6.142 -11.039 534 HA HIS 73 HA HIS 73 -20.185 4.487 -13.486 535 HB2 HIS 73 2HB HIS 73 -20.677 3.024 -11.627 536 HB3 HIS 73 1HB HIS 73 -21.922 4.118 -11.031 537 HD1 HIS 73 HD1 HIS 73 -21.252 2.009 -14.139 538 HD2 HIS 73 HD2 HIS 73 -24.420 3.465 -11.874 539 HE1 HIS 73 HE1 HIS 73 -23.319 1.017 -15.158 540 HE2 HIS 73 HE2 HIS 73 -25.221 1.872 -13.747 541 H HIS 74 H HIS 74 -22.041 6.775 -11.543 542 HA HIS 74 HA HIS 74 -23.550 8.376 -12.067 543 HB2 HIS 74 2HB HIS 74 -21.910 8.792 -13.970 544 HB3 HIS 74 1HB HIS 74 -22.989 7.853 -14.991 545 HD1 HIS 74 HD1 HIS 74 -22.477 11.202 -13.589 546 HD2 HIS 74 HD2 HIS 74 -25.582 9.103 -15.385 547 HE1 HIS 74 HE1 HIS 74 -24.157 12.935 -14.268 548 HE2 HIS 74 HE2 HIS 74 -25.893 11.662 -15.563 549 H HIS 75 H HIS 75 -25.687 8.215 -11.917 550 HA HIS 75 HA HIS 75 -26.924 5.697 -12.580 551 HB2 HIS 75 2HB HIS 75 -27.395 6.729 -10.440 552 HB3 HIS 75 1HB HIS 75 -28.005 8.177 -11.227 553 HD1 HIS 75 HD1 HIS 75 -28.868 4.491 -10.939 554 HD2 HIS 75 HD2 HIS 75 -30.701 8.151 -11.647 555 HE1 HIS 75 HE1 HIS 75 -31.327 4.008 -10.994 556 HE2 HIS 75 HE2 HIS 75 -32.420 6.255 -11.275 557 H HIS 76 H HIS 76 -28.284 5.230 -14.194 558 HA HIS 76 HA HIS 76 -29.361 7.421 -15.870 559 HB2 HIS 76 2HB HIS 76 -28.920 4.516 -16.634 560 HB3 HIS 76 1HB HIS 76 -29.533 5.780 -17.694 561 HD1 HIS 76 HD1 HIS 76 -26.790 3.975 -17.849 562 HD2 HIS 76 HD2 HIS 76 -27.171 8.037 -17.054 563 HE1 HIS 76 HE1 HIS 76 -24.579 4.985 -18.451 564 HE2 HIS 76 HE2 HIS 76 -24.791 7.419 -17.877 565 H HIS 77 H HIS 77 -31.584 7.082 -16.711 566 HA HIS 77 HA HIS 77 -33.193 5.207 -15.122 567 HB2 HIS 77 2HB HIS 77 -34.879 6.959 -14.650 568 HB3 HIS 77 1HB HIS 77 -33.332 7.278 -13.881 569 HD1 HIS 77 HD1 HIS 77 -35.842 8.803 -16.015 570 HD2 HIS 77 HD2 HIS 77 -31.791 9.344 -15.288 571 HE1 HIS 77 HE1 HIS 77 -35.306 11.092 -16.880 572 HE2 HIS 77 HE2 HIS 77 -32.817 11.300 -16.629 573 H HIS 78 H HIS 78 -35.670 5.650 -15.890 574 HA HIS 78 HA HIS 78 -35.723 5.595 -18.836 575 HB2 HIS 78 2HB HIS 78 -35.522 3.273 -18.090 576 HB3 HIS 78 1HB HIS 78 -36.898 3.475 -17.012 577 HD1 HIS 78 HD1 HIS 78 -39.196 3.159 -17.997 578 HD2 HIS 78 HD2 HIS 78 -36.208 3.219 -20.883 579 HE1 HIS 78 HE1 HIS 78 -40.307 2.439 -20.128 580 HE2 HIS 78 HE2 HIS 78 -38.455 2.360 -21.828 Start of MODEL 18 1 H1 MET 1 1H MET 1 -3.996 -10.229 -2.679 2 H2 MET 1 2H MET 1 -4.400 -11.207 -1.356 3 H3 MET 1 3H MET 1 -3.286 -11.758 -2.502 4 HA MET 1 HA MET 1 -2.208 -11.050 -0.467 5 HB2 MET 1 2HB MET 1 -0.513 -9.604 -1.492 6 HB3 MET 1 1HB MET 1 -0.976 -10.909 -2.573 7 HG2 MET 1 2HG MET 1 -2.291 -9.424 -3.911 8 HG3 MET 1 1HG MET 1 -2.069 -8.112 -2.756 9 HE1 MET 1 3HE MET 1 0.635 -10.700 -4.054 10 HE2 MET 1 1HE MET 1 1.316 -9.800 -5.409 11 HE3 MET 1 2HE MET 1 -0.353 -10.365 -5.478 12 H ASN 2 H ASN 2 -2.082 -9.667 1.224 13 HA ASN 2 HA ASN 2 -3.779 -7.313 1.284 14 HB2 ASN 2 2HB ASN 2 -1.894 -8.400 3.395 15 HB3 ASN 2 1HB ASN 2 -3.108 -7.148 3.641 16 HD21 ASN 2 1HD2 ASN 2 -2.835 -9.709 4.970 17 HD22 ASN 2 2HD2 ASN 2 -4.306 -10.560 4.680 18 H LEU 3 H LEU 3 -3.030 -5.500 0.312 19 HA LEU 3 HA LEU 3 -0.193 -4.768 0.727 20 HB2 LEU 3 2HB LEU 3 -1.967 -4.106 -1.617 21 HB3 LEU 3 1HB LEU 3 -0.328 -3.528 -1.407 22 HG LEU 3 HG LEU 3 -1.206 -6.381 -1.877 23 HD11 LEU 3 1HD1 LEU 3 0.116 -6.160 -3.936 24 HD12 LEU 3 2HD1 LEU 3 0.422 -4.466 -3.553 25 HD13 LEU 3 3HD1 LEU 3 -1.223 -5.014 -3.881 26 HD21 LEU 3 3HD2 LEU 3 0.638 -6.356 -0.289 27 HD22 LEU 3 1HD2 LEU 3 1.570 -5.312 -1.362 28 HD23 LEU 3 2HD2 LEU 3 1.173 -6.959 -1.856 29 H THR 4 H THR 4 -0.059 -3.186 2.175 30 HA THR 4 HA THR 4 -2.130 -1.252 2.615 31 HB THR 4 HB THR 4 0.738 -1.215 3.604 32 HG1 THR 4 HG1 THR 4 -0.145 -2.189 5.478 33 HG21 THR 4 3HG2 THR 4 -0.132 0.248 5.380 34 HG22 THR 4 1HG2 THR 4 -1.720 0.234 4.614 35 HG23 THR 4 2HG2 THR 4 -0.349 0.972 3.788 36 H VAL 5 H VAL 5 -2.524 0.025 0.874 37 HA VAL 5 HA VAL 5 -0.271 1.363 -0.475 38 HB VAL 5 HB VAL 5 -3.171 1.176 -1.342 39 HG11 VAL 5 1HG1 VAL 5 -0.732 2.173 -2.826 40 HG12 VAL 5 2HG1 VAL 5 -2.074 3.157 -2.243 41 HG13 VAL 5 3HG1 VAL 5 -2.341 1.973 -3.521 42 HG21 VAL 5 3HG2 VAL 5 -0.757 -0.368 -2.311 43 HG22 VAL 5 1HG2 VAL 5 -2.378 -0.453 -3.003 44 HG23 VAL 5 2HG2 VAL 5 -2.090 -1.019 -1.357 45 H ASN 6 H ASN 6 0.179 3.397 0.048 46 HA ASN 6 HA ASN 6 0.017 5.571 0.717 47 HB2 ASN 6 2HB ASN 6 -2.972 5.328 0.295 48 HB3 ASN 6 1HB ASN 6 -2.027 6.811 0.352 49 HD21 ASN 6 1HD2 ASN 6 0.141 5.633 -1.283 50 HD22 ASN 6 2HD2 ASN 6 -0.486 5.611 -2.877 51 H GLY 7 H GLY 7 -0.220 3.349 2.607 52 HA2 GLY 7 2HA GLY 7 -0.410 3.267 4.930 53 HA3 GLY 7 1HA GLY 7 -1.239 4.811 4.903 54 H LYS 8 H LYS 8 -2.816 2.930 2.681 55 HA LYS 8 HA LYS 8 -4.823 2.101 4.677 56 HB2 LYS 8 2HB LYS 8 -5.136 2.542 1.696 57 HB3 LYS 8 1HB LYS 8 -6.410 1.971 2.764 58 HG2 LYS 8 2HG LYS 8 -6.953 4.172 2.734 59 HG3 LYS 8 1HG LYS 8 -5.806 4.205 4.072 60 HD2 LYS 8 2HD LYS 8 -5.143 6.007 2.756 61 HD3 LYS 8 1HD LYS 8 -4.034 4.730 2.263 62 HE2 LYS 8 2HE LYS 8 -6.571 5.459 0.786 63 HE3 LYS 8 1HE LYS 8 -4.972 6.066 0.372 64 HZ1 LYS 8 3HZ LYS 8 -4.283 3.731 0.033 65 HZ2 LYS 8 1HZ LYS 8 -5.494 4.230 -1.036 66 HZ3 LYS 8 2HZ LYS 8 -5.878 3.239 0.277 67 HA PRO 9 HA PRO 9 -3.330 -2.119 3.804 68 HB2 PRO 9 2HB PRO 9 -5.503 -2.745 5.737 69 HB3 PRO 9 1HB PRO 9 -3.801 -3.217 5.764 70 HG2 PRO 9 2HG PRO 9 -4.714 -1.359 7.442 71 HG3 PRO 9 1HG PRO 9 -3.117 -1.194 6.684 72 HD2 PRO 9 2HD PRO 9 -5.705 0.148 5.950 73 HD3 PRO 9 1HD PRO 9 -4.074 0.843 6.067 74 H SER 10 H SER 10 -4.050 -2.648 1.776 75 HA SER 10 HA SER 10 -6.960 -2.946 1.352 76 HB2 SER 10 2HB SER 10 -4.800 -2.457 -0.722 77 HB3 SER 10 1HB SER 10 -6.539 -2.503 -1.015 78 HG SER 10 HG SER 10 -5.243 -0.666 0.727 79 H THR 11 H THR 11 -7.557 -5.025 1.504 80 HA THR 11 HA THR 11 -5.770 -7.189 0.781 81 HB THR 11 HB THR 11 -8.658 -7.246 1.710 82 HG1 THR 11 HG1 THR 11 -6.457 -8.199 3.198 83 HG21 THR 11 3HG2 THR 11 -8.162 -9.238 0.380 84 HG22 THR 11 1HG2 THR 11 -8.306 -9.652 2.089 85 HG23 THR 11 2HG2 THR 11 -6.714 -9.531 1.341 86 H VAL 12 H VAL 12 -5.436 -7.154 -1.439 87 HA VAL 12 HA VAL 12 -7.784 -7.309 -3.183 88 HB VAL 12 HB VAL 12 -6.127 -7.286 -5.074 89 HG11 VAL 12 1HG1 VAL 12 -5.976 -4.981 -3.119 90 HG12 VAL 12 2HG1 VAL 12 -7.239 -5.242 -4.322 91 HG13 VAL 12 3HG1 VAL 12 -5.589 -4.897 -4.838 92 HG21 VAL 12 3HG2 VAL 12 -3.817 -6.578 -4.583 93 HG22 VAL 12 1HG2 VAL 12 -4.172 -8.176 -3.922 94 HG23 VAL 12 2HG2 VAL 12 -4.135 -6.769 -2.858 95 H ASP 13 H ASP 13 -8.696 -9.215 -3.236 96 HA ASP 13 HA ASP 13 -7.357 -11.680 -2.715 97 HB2 ASP 13 2HB ASP 13 -9.699 -11.219 -2.068 98 HB3 ASP 13 1HB ASP 13 -10.148 -11.143 -3.767 99 H GLY 14 H GLY 14 -6.958 -13.423 -4.127 100 HA2 GLY 14 2HA GLY 14 -6.996 -14.534 -6.225 101 HA3 GLY 14 1HA GLY 14 -7.397 -13.017 -7.007 102 H ALA 15 H ALA 15 -5.032 -11.991 -5.145 103 HA ALA 15 HA ALA 15 -2.957 -12.595 -7.159 104 HB1 ALA 15 3HB ALA 15 -1.950 -10.448 -6.588 105 HB2 ALA 15 1HB ALA 15 -3.186 -10.181 -5.359 106 HB3 ALA 15 2HB ALA 15 -3.637 -10.245 -7.063 107 H GLU 16 H GLU 16 -1.369 -13.890 -6.534 108 HA GLU 16 HA GLU 16 -0.888 -14.537 -3.765 109 HB2 GLU 16 2HB GLU 16 -0.739 -16.332 -5.309 110 HB3 GLU 16 1HB GLU 16 0.339 -15.437 -6.368 111 HG2 GLU 16 2HG GLU 16 1.551 -17.178 -5.214 112 HG3 GLU 16 1HG GLU 16 2.122 -15.595 -4.694 113 H SER 17 H SER 17 1.543 -13.665 -6.242 114 HA SER 17 HA SER 17 2.660 -11.523 -4.683 115 HB2 SER 17 2HB SER 17 4.848 -12.576 -4.234 116 HB3 SER 17 1HB SER 17 3.550 -13.434 -3.408 117 HG SER 17 HG SER 17 4.279 -14.313 -5.964 118 H LEU 18 H LEU 18 3.866 -10.182 -5.961 119 HA LEU 18 HA LEU 18 4.973 -11.159 -8.472 120 HB2 LEU 18 2HB LEU 18 3.764 -9.230 -9.692 121 HB3 LEU 18 1HB LEU 18 2.883 -10.703 -9.359 122 HG LEU 18 HG LEU 18 1.841 -9.567 -7.379 123 HD11 LEU 18 1HD1 LEU 18 3.166 -7.109 -8.520 124 HD12 LEU 18 2HD1 LEU 18 3.477 -7.840 -6.945 125 HD13 LEU 18 3HD1 LEU 18 1.909 -7.108 -7.282 126 HD21 LEU 18 3HD2 LEU 18 0.670 -9.756 -9.510 127 HD22 LEU 18 1HD2 LEU 18 1.399 -8.245 -10.054 128 HD23 LEU 18 2HD2 LEU 18 0.271 -8.242 -8.696 129 H ASN 19 H ASN 19 6.396 -9.630 -9.537 130 HA ASN 19 HA ASN 19 7.910 -8.018 -7.726 131 HB2 ASN 19 2HB ASN 19 8.105 -7.897 -10.741 132 HB3 ASN 19 1HB ASN 19 9.361 -7.556 -9.562 133 HD21 ASN 19 1HD2 ASN 19 10.764 -9.014 -10.493 134 HD22 ASN 19 2HD2 ASN 19 10.541 -10.718 -10.378 135 H VAL 20 H VAL 20 8.468 -5.661 -8.268 136 HA VAL 20 HA VAL 20 6.179 -4.019 -8.465 137 HB VAL 20 HB VAL 20 9.050 -3.264 -9.060 138 HG11 VAL 20 1HG1 VAL 20 7.483 -1.608 -9.931 139 HG12 VAL 20 2HG1 VAL 20 8.343 -0.967 -8.532 140 HG13 VAL 20 3HG1 VAL 20 6.678 -1.523 -8.364 141 HG21 VAL 20 3HG2 VAL 20 8.795 -4.222 -6.828 142 HG22 VAL 20 1HG2 VAL 20 7.492 -3.085 -6.480 143 HG23 VAL 20 2HG2 VAL 20 9.133 -2.493 -6.737 144 H THR 21 H THR 21 8.585 -4.994 -10.917 145 HA THR 21 HA THR 21 7.561 -3.732 -13.166 146 HB THR 21 HB THR 21 8.653 -6.563 -13.034 147 HG1 THR 21 HG1 THR 21 10.621 -5.402 -13.740 148 HG21 THR 21 3HG2 THR 21 8.454 -4.663 -15.387 149 HG22 THR 21 1HG2 THR 21 7.497 -6.128 -15.155 150 HG23 THR 21 2HG2 THR 21 9.239 -6.244 -15.402 151 H GLU 22 H GLU 22 6.674 -6.960 -11.908 152 HA GLU 22 HA GLU 22 4.593 -7.474 -13.726 153 HB2 GLU 22 2HB GLU 22 4.937 -8.488 -10.897 154 HB3 GLU 22 1HB GLU 22 3.858 -9.183 -12.099 155 HG2 GLU 22 2HG GLU 22 6.863 -9.042 -12.309 156 HG3 GLU 22 1HG GLU 22 5.925 -10.466 -11.866 157 H LEU 23 H LEU 23 4.578 -5.718 -10.663 158 HA LEU 23 HA LEU 23 1.792 -5.541 -10.292 159 HB2 LEU 23 2HB LEU 23 3.439 -4.975 -8.559 160 HB3 LEU 23 1HB LEU 23 3.949 -3.581 -9.493 161 HG LEU 23 HG LEU 23 1.697 -2.584 -9.209 162 HD11 LEU 23 1HD1 LEU 23 1.175 -4.977 -7.442 163 HD12 LEU 23 2HD1 LEU 23 0.374 -4.601 -8.969 164 HD13 LEU 23 3HD1 LEU 23 0.143 -3.552 -7.571 165 HD21 LEU 23 3HD2 LEU 23 3.044 -3.362 -6.618 166 HD22 LEU 23 1HD2 LEU 23 1.928 -2.013 -6.842 167 HD23 LEU 23 2HD2 LEU 23 3.493 -2.008 -7.656 168 H LEU 24 H LEU 24 4.001 -3.088 -11.694 169 HA LEU 24 HA LEU 24 1.960 -1.415 -12.684 170 HB2 LEU 24 2HB LEU 24 4.856 -1.759 -13.430 171 HB3 LEU 24 1HB LEU 24 3.827 -0.628 -14.287 172 HG LEU 24 HG LEU 24 5.127 0.545 -12.610 173 HD11 LEU 24 1HD1 LEU 24 3.304 1.614 -11.335 174 HD12 LEU 24 2HD1 LEU 24 2.210 0.336 -11.872 175 HD13 LEU 24 3HD1 LEU 24 2.937 1.429 -13.051 176 HD21 LEU 24 3HD2 LEU 24 4.857 0.113 -10.217 177 HD22 LEU 24 1HD2 LEU 24 5.534 -1.282 -11.056 178 HD23 LEU 24 2HD2 LEU 24 3.835 -1.279 -10.580 179 H SER 25 H SER 25 3.487 -4.275 -14.032 180 HA SER 25 HA SER 25 2.433 -4.090 -16.661 181 HB2 SER 25 2HB SER 25 4.265 -5.627 -16.090 182 HB3 SER 25 1HB SER 25 3.177 -6.557 -15.062 183 HG SER 25 HG SER 25 3.608 -7.233 -17.383 184 H ALA 26 H ALA 26 1.156 -5.481 -13.667 185 HA ALA 26 HA ALA 26 -1.194 -6.618 -14.787 186 HB1 ALA 26 3HB ALA 26 -0.739 -5.673 -11.953 187 HB2 ALA 26 1HB ALA 26 -0.290 -7.258 -12.583 188 HB3 ALA 26 2HB ALA 26 -1.989 -6.793 -12.498 189 H LEU 27 H LEU 27 -0.463 -3.433 -13.414 190 HA LEU 27 HA LEU 27 -3.118 -2.390 -13.678 191 HB2 LEU 27 2HB LEU 27 -0.465 -0.949 -13.475 192 HB3 LEU 27 1HB LEU 27 -2.039 -0.189 -13.314 193 HG LEU 27 HG LEU 27 -0.901 -2.284 -11.447 194 HD11 LEU 27 1HD1 LEU 27 -1.298 0.685 -11.055 195 HD12 LEU 27 2HD1 LEU 27 0.247 -0.145 -11.233 196 HD13 LEU 27 3HD1 LEU 27 -0.763 -0.458 -9.824 197 HD21 LEU 27 3HD2 LEU 27 -3.332 -2.434 -11.607 198 HD22 LEU 27 1HD2 LEU 27 -3.475 -0.705 -11.285 199 HD23 LEU 27 2HD2 LEU 27 -2.847 -1.787 -10.041 200 H LYS 28 H LYS 28 -0.336 -2.621 -15.781 201 HA LYS 28 HA LYS 28 -0.065 -2.365 -18.015 202 HB2 LYS 28 2HB LYS 28 -3.060 -1.935 -18.141 203 HB3 LYS 28 1HB LYS 28 -2.007 -2.365 -19.484 204 HG2 LYS 28 2HG LYS 28 -1.503 -4.506 -18.423 205 HG3 LYS 28 1HG LYS 28 -2.528 -4.079 -17.054 206 HD2 LYS 28 2HD LYS 28 -4.445 -3.890 -18.684 207 HD3 LYS 28 1HD LYS 28 -3.375 -4.571 -19.912 208 HE2 LYS 28 2HE LYS 28 -4.191 -5.891 -17.318 209 HE3 LYS 28 1HE LYS 28 -4.771 -6.308 -18.928 210 HZ1 LYS 28 3HZ LYS 28 -2.967 -7.756 -18.005 211 HZ2 LYS 28 1HZ LYS 28 -1.908 -6.448 -18.175 212 HZ3 LYS 28 2HZ LYS 28 -2.658 -7.112 -19.536 213 H VAL 29 H VAL 29 -0.362 -0.001 -16.060 214 HA VAL 29 HA VAL 29 -1.155 2.240 -17.647 215 HB VAL 29 HB VAL 29 -1.240 2.298 -15.190 216 HG11 VAL 29 1HG1 VAL 29 0.776 0.984 -14.714 217 HG12 VAL 29 2HG1 VAL 29 0.791 2.521 -13.850 218 HG13 VAL 29 3HG1 VAL 29 1.780 2.313 -15.294 219 HG21 VAL 29 3HG2 VAL 29 -1.126 4.413 -16.411 220 HG22 VAL 29 1HG2 VAL 29 0.636 4.366 -16.353 221 HG23 VAL 29 2HG2 VAL 29 -0.291 4.541 -14.863 222 H ALA 30 H ALA 30 0.082 3.706 -18.800 223 HA ALA 30 HA ALA 30 2.542 2.650 -19.882 224 HB1 ALA 30 3HB ALA 30 0.875 3.655 -21.348 225 HB2 ALA 30 1HB ALA 30 2.414 4.511 -21.453 226 HB3 ALA 30 2HB ALA 30 1.080 5.205 -20.531 227 H GLN 31 H GLN 31 1.827 4.826 -17.346 228 HA GLN 31 HA GLN 31 4.365 6.270 -17.591 229 HB2 GLN 31 2HB GLN 31 2.183 6.595 -15.507 230 HB3 GLN 31 1HB GLN 31 3.564 7.652 -15.735 231 HG2 GLN 31 2HG GLN 31 1.814 8.812 -16.725 232 HG3 GLN 31 1HG GLN 31 2.635 8.063 -18.089 233 HE21 GLN 31 1HE2 GLN 31 -0.215 8.026 -16.094 234 HE22 GLN 31 2HE2 GLN 31 -1.180 7.052 -17.147 235 H ALA 32 H ALA 32 4.419 3.421 -16.990 236 HA ALA 32 HA ALA 32 4.664 2.814 -14.263 237 HB1 ALA 32 3HB ALA 32 6.032 1.479 -16.600 238 HB2 ALA 32 1HB ALA 32 4.411 1.117 -16.006 239 HB3 ALA 32 2HB ALA 32 5.816 0.788 -14.991 240 H GLU 33 H GLU 33 7.084 3.978 -16.562 241 HA GLU 33 HA GLU 33 9.284 3.783 -14.707 242 HB2 GLU 33 2HB GLU 33 9.577 3.589 -17.163 243 HB3 GLU 33 1HB GLU 33 9.074 5.263 -17.347 244 HG2 GLU 33 2HG GLU 33 11.034 5.956 -15.998 245 HG3 GLU 33 1HG GLU 33 11.552 4.272 -15.936 246 H TYR 34 H TYR 34 6.720 5.918 -14.974 247 HA TYR 34 HA TYR 34 8.279 8.207 -13.929 248 HB2 TYR 34 2HB TYR 34 5.785 8.333 -15.644 249 HB3 TYR 34 1HB TYR 34 6.750 9.702 -15.099 250 HD1 TYR 34 HD1 TYR 34 9.186 9.836 -15.902 251 HD2 TYR 34 HD2 TYR 34 6.308 7.232 -17.660 252 HE1 TYR 34 HE1 TYR 34 10.605 9.615 -17.895 253 HE2 TYR 34 HE2 TYR 34 7.724 7.007 -19.656 254 HH TYR 34 HH TYR 34 10.946 7.943 -19.726 255 H VAL 35 H VAL 35 6.696 5.990 -12.563 256 HA VAL 35 HA VAL 35 4.791 7.696 -11.084 257 HB VAL 35 HB VAL 35 3.669 5.794 -12.069 258 HG11 VAL 35 1HG1 VAL 35 4.251 3.478 -11.505 259 HG12 VAL 35 2HG1 VAL 35 5.656 4.050 -10.604 260 HG13 VAL 35 3HG1 VAL 35 5.569 4.293 -12.349 261 HG21 VAL 35 3HG2 VAL 35 4.034 5.391 -9.093 262 HG22 VAL 35 1HG2 VAL 35 2.703 4.759 -10.062 263 HG23 VAL 35 2HG2 VAL 35 2.898 6.498 -9.862 264 H THR 36 H THR 36 5.115 8.113 -8.963 265 HA THR 36 HA THR 36 7.501 7.224 -7.647 266 HB THR 36 HB THR 36 5.149 8.752 -6.486 267 HG1 THR 36 HG1 THR 36 7.509 10.102 -6.846 268 HG21 THR 36 3HG2 THR 36 6.469 7.667 -4.729 269 HG22 THR 36 1HG2 THR 36 6.729 9.411 -4.712 270 HG23 THR 36 2HG2 THR 36 7.949 8.345 -5.406 271 H VAL 37 H VAL 37 7.170 4.926 -7.722 272 HA VAL 37 HA VAL 37 5.277 3.888 -5.731 273 HB VAL 37 HB VAL 37 6.044 1.624 -6.523 274 HG11 VAL 37 1HG1 VAL 37 3.987 2.627 -7.367 275 HG12 VAL 37 2HG1 VAL 37 4.792 1.697 -8.631 276 HG13 VAL 37 3HG1 VAL 37 4.894 3.459 -8.632 277 HG21 VAL 37 3HG2 VAL 37 8.237 2.251 -7.413 278 HG22 VAL 37 1HG2 VAL 37 7.464 3.232 -8.660 279 HG23 VAL 37 2HG2 VAL 37 7.257 1.480 -8.658 280 H GLU 38 H GLU 38 6.009 3.922 -3.682 281 HA GLU 38 HA GLU 38 8.851 3.268 -3.238 282 HB2 GLU 38 2HB GLU 38 8.723 4.697 -1.186 283 HB3 GLU 38 1HB GLU 38 8.577 5.564 -2.705 284 HG2 GLU 38 2HG GLU 38 6.113 5.611 -2.382 285 HG3 GLU 38 1HG GLU 38 6.351 4.880 -0.794 286 H LEU 39 H LEU 39 9.255 1.494 -2.210 287 HA LEU 39 HA LEU 39 7.167 -0.136 -1.124 288 HB2 LEU 39 2HB LEU 39 9.296 -0.836 -2.398 289 HB3 LEU 39 1HB LEU 39 10.133 -0.632 -0.874 290 HG LEU 39 HG LEU 39 9.487 -2.998 -1.463 291 HD11 LEU 39 1HD1 LEU 39 8.379 -1.910 1.121 292 HD12 LEU 39 2HD1 LEU 39 10.053 -2.381 0.821 293 HD13 LEU 39 3HD1 LEU 39 8.774 -3.596 0.790 294 HD21 LEU 39 3HD2 LEU 39 7.300 -2.557 -2.430 295 HD22 LEU 39 1HD2 LEU 39 6.702 -1.982 -0.872 296 HD23 LEU 39 2HD2 LEU 39 7.156 -3.675 -1.073 297 H ASN 40 H ASN 40 6.295 0.378 0.784 298 HA ASN 40 HA ASN 40 6.008 0.907 2.973 299 HB2 ASN 40 2HB ASN 40 8.794 -0.256 3.174 300 HB3 ASN 40 1HB ASN 40 7.838 0.213 4.574 301 HD21 ASN 40 1HD2 ASN 40 6.609 -1.339 1.647 302 HD22 ASN 40 2HD2 ASN 40 6.169 -2.818 2.415 303 H GLY 41 H GLY 41 7.483 2.838 1.064 304 HA2 GLY 41 2HA GLY 41 7.698 5.180 1.647 305 HA3 GLY 41 1HA GLY 41 8.396 4.693 3.180 306 H GLU 42 H GLU 42 9.595 2.908 0.511 307 HA GLU 42 HA GLU 42 11.830 4.794 0.106 308 HB2 GLU 42 2HB GLU 42 12.477 2.948 1.665 309 HB3 GLU 42 1HB GLU 42 12.140 1.791 0.384 310 HG2 GLU 42 2HG GLU 42 13.910 2.706 -0.975 311 HG3 GLU 42 1HG GLU 42 14.190 3.996 0.194 312 H VAL 43 H VAL 43 11.742 5.420 -1.967 313 HA VAL 43 HA VAL 43 10.237 4.089 -3.950 314 HB VAL 43 HB VAL 43 10.587 6.510 -3.971 315 HG11 VAL 43 1HG1 VAL 43 13.432 5.869 -4.760 316 HG12 VAL 43 2HG1 VAL 43 12.906 6.611 -3.252 317 HG13 VAL 43 3HG1 VAL 43 12.702 7.474 -4.775 318 HG21 VAL 43 3HG2 VAL 43 9.909 5.401 -6.038 319 HG22 VAL 43 1HG2 VAL 43 11.599 5.151 -6.478 320 HG23 VAL 43 2HG2 VAL 43 10.943 6.787 -6.384 321 H LEU 44 H LEU 44 10.778 2.905 -5.751 322 HA LEU 44 HA LEU 44 13.309 1.446 -5.538 323 HB2 LEU 44 2HB LEU 44 10.826 0.881 -7.171 324 HB3 LEU 44 1HB LEU 44 12.258 -0.126 -7.168 325 HG LEU 44 HG LEU 44 10.691 -1.203 -5.767 326 HD11 LEU 44 1HD1 LEU 44 12.953 -1.202 -4.876 327 HD12 LEU 44 2HD1 LEU 44 11.759 -1.213 -3.576 328 HD13 LEU 44 3HD1 LEU 44 12.614 0.280 -3.976 329 HD21 LEU 44 3HD2 LEU 44 9.158 0.669 -5.427 330 HD22 LEU 44 1HD2 LEU 44 10.297 1.408 -4.300 331 HD23 LEU 44 2HD2 LEU 44 9.538 -0.135 -3.905 332 H GLU 45 H GLU 45 14.831 1.305 -7.116 333 HA GLU 45 HA GLU 45 14.912 3.226 -9.257 334 HB2 GLU 45 2HB GLU 45 16.957 2.611 -8.107 335 HB3 GLU 45 1HB GLU 45 16.712 0.915 -8.485 336 HG2 GLU 45 2HG GLU 45 18.450 1.841 -9.874 337 HG3 GLU 45 1HG GLU 45 17.064 1.391 -10.861 338 H ARG 46 H ARG 46 15.082 2.679 -11.550 339 HA ARG 46 HA ARG 46 13.026 1.169 -12.575 340 HB2 ARG 46 2HB ARG 46 15.667 1.743 -13.938 341 HB3 ARG 46 1HB ARG 46 14.176 1.289 -14.751 342 HG2 ARG 46 2HG ARG 46 13.115 3.352 -13.971 343 HG3 ARG 46 1HG ARG 46 14.605 3.805 -13.142 344 HD2 ARG 46 2HD ARG 46 15.780 3.801 -15.320 345 HD3 ARG 46 1HD ARG 46 14.251 3.430 -16.121 346 HE ARG 46 HE ARG 46 13.942 5.738 -14.553 347 HH11 ARG 46 1HH1 ARG 46 15.456 4.677 -17.466 348 HH12 ARG 46 2HH1 ARG 46 15.463 6.259 -18.160 349 HH21 ARG 46 1HH2 ARG 46 13.948 7.748 -15.458 350 HH22 ARG 46 2HH2 ARG 46 14.612 7.984 -17.036 351 H GLU 47 H GLU 47 16.384 0.094 -12.096 352 HA GLU 47 HA GLU 47 16.035 -2.548 -13.058 353 HB2 GLU 47 2HB GLU 47 18.243 -1.522 -12.763 354 HB3 GLU 47 1HB GLU 47 17.999 -1.461 -11.023 355 HG2 GLU 47 2HG GLU 47 17.881 -3.950 -11.011 356 HG3 GLU 47 1HG GLU 47 18.284 -3.934 -12.728 357 H ALA 48 H ALA 48 15.657 -1.115 -9.844 358 HA ALA 48 HA ALA 48 15.395 -3.456 -8.327 359 HB1 ALA 48 3HB ALA 48 15.765 -1.228 -7.357 360 HB2 ALA 48 1HB ALA 48 14.397 -2.056 -6.611 361 HB3 ALA 48 2HB ALA 48 14.118 -0.775 -7.792 362 H PHE 49 H PHE 49 13.102 -1.882 -10.425 363 HA PHE 49 HA PHE 49 10.657 -2.790 -9.555 364 HB2 PHE 49 2HB PHE 49 11.772 -2.376 -12.314 365 HB3 PHE 49 1HB PHE 49 10.152 -3.030 -12.114 366 HD1 PHE 49 HD1 PHE 49 12.128 -0.246 -10.565 367 HD2 PHE 49 HD2 PHE 49 8.493 -1.475 -12.418 368 HE1 PHE 49 HE1 PHE 49 11.241 2.034 -10.329 369 HE2 PHE 49 HE2 PHE 49 7.600 0.807 -12.181 370 HZ PHE 49 HZ PHE 49 8.974 2.563 -11.137 371 H ASP 50 H ASP 50 13.079 -4.619 -11.401 372 HA ASP 50 HA ASP 50 11.437 -7.005 -11.482 373 HB2 ASP 50 2HB ASP 50 14.348 -6.609 -12.229 374 HB3 ASP 50 1HB ASP 50 13.369 -8.026 -12.608 375 H ALA 51 H ALA 51 13.982 -5.724 -9.469 376 HA ALA 51 HA ALA 51 14.633 -8.275 -8.260 377 HB1 ALA 51 3HB ALA 51 16.236 -7.014 -6.935 378 HB2 ALA 51 1HB ALA 51 15.550 -5.499 -7.521 379 HB3 ALA 51 2HB ALA 51 16.365 -6.587 -8.643 380 H THR 52 H THR 52 12.273 -5.873 -7.662 381 HA THR 52 HA THR 52 12.080 -6.585 -4.799 382 HB THR 52 HB THR 52 10.772 -4.281 -6.271 383 HG1 THR 52 HG1 THR 52 13.102 -4.148 -5.990 384 HG21 THR 52 3HG2 THR 52 10.265 -3.436 -3.999 385 HG22 THR 52 1HG2 THR 52 10.891 -4.937 -3.318 386 HG23 THR 52 2HG2 THR 52 9.452 -4.963 -4.337 387 H THR 53 H THR 53 10.497 -7.908 -4.126 388 HA THR 53 HA THR 53 8.305 -8.516 -6.016 389 HB THR 53 HB THR 53 9.508 -10.324 -3.901 390 HG1 THR 53 HG1 THR 53 9.667 -11.258 -6.427 391 HG21 THR 53 3HG2 THR 53 7.368 -10.863 -5.972 392 HG22 THR 53 1HG2 THR 53 7.130 -10.795 -4.225 393 HG23 THR 53 2HG2 THR 53 8.109 -12.081 -4.934 394 H VAL 54 H VAL 54 6.495 -7.562 -5.418 395 HA VAL 54 HA VAL 54 5.851 -6.988 -2.648 396 HB VAL 54 HB VAL 54 4.171 -6.529 -5.133 397 HG11 VAL 54 1HG1 VAL 54 2.885 -6.477 -3.061 398 HG12 VAL 54 2HG1 VAL 54 3.011 -4.862 -3.758 399 HG13 VAL 54 3HG1 VAL 54 4.011 -5.307 -2.374 400 HG21 VAL 54 3HG2 VAL 54 6.320 -5.378 -5.337 401 HG22 VAL 54 1HG2 VAL 54 6.089 -4.640 -3.752 402 HG23 VAL 54 2HG2 VAL 54 5.013 -4.220 -5.086 403 H LYS 55 H LYS 55 4.656 -8.301 -1.369 404 HA LYS 55 HA LYS 55 2.966 -10.378 -2.616 405 HB2 LYS 55 2HB LYS 55 3.835 -12.048 -1.040 406 HB3 LYS 55 1HB LYS 55 5.117 -11.406 -2.055 407 HG2 LYS 55 2HG LYS 55 5.817 -9.930 -0.223 408 HG3 LYS 55 1HG LYS 55 4.549 -10.611 0.797 409 HD2 LYS 55 2HD LYS 55 5.595 -12.841 0.558 410 HD3 LYS 55 1HD LYS 55 6.885 -12.113 -0.402 411 HE2 LYS 55 2HE LYS 55 7.466 -10.679 1.532 412 HE3 LYS 55 1HE LYS 55 6.224 -11.492 2.483 413 HZ1 LYS 55 3HZ LYS 55 8.611 -12.788 1.279 414 HZ2 LYS 55 1HZ LYS 55 7.416 -13.572 2.186 415 HZ3 LYS 55 2HZ LYS 55 8.406 -12.414 2.912 416 H ASP 56 H ASP 56 1.919 -11.665 -0.539 417 HA ASP 56 HA ASP 56 -0.022 -9.918 0.477 418 HB2 ASP 56 2HB ASP 56 -0.357 -12.351 0.236 419 HB3 ASP 56 1HB ASP 56 0.789 -12.640 1.541 420 H GLY 57 H GLY 57 -0.109 -8.609 2.199 421 HA2 GLY 57 2HA GLY 57 0.317 -7.744 4.304 422 HA3 GLY 57 1HA GLY 57 1.419 -9.081 4.602 423 H ASP 58 H ASP 58 1.479 -6.675 1.980 424 HA ASP 58 HA ASP 58 4.076 -5.712 3.034 425 HB2 ASP 58 2HB ASP 58 3.814 -7.068 0.705 426 HB3 ASP 58 1HB ASP 58 3.494 -5.441 0.117 427 H ALA 59 H ALA 59 4.470 -3.471 1.568 428 HA ALA 59 HA ALA 59 2.022 -1.869 1.601 429 HB1 ALA 59 3HB ALA 59 3.000 -1.614 3.841 430 HB2 ALA 59 1HB ALA 59 3.038 -0.100 2.936 431 HB3 ALA 59 2HB ALA 59 4.508 -1.058 3.116 432 H VAL 60 H VAL 60 2.007 -1.357 -0.515 433 HA VAL 60 HA VAL 60 4.448 -0.199 -1.695 434 HB VAL 60 HB VAL 60 3.766 -2.131 -2.950 435 HG11 VAL 60 1HG1 VAL 60 1.442 -2.292 -2.237 436 HG12 VAL 60 2HG1 VAL 60 1.556 -2.344 -3.997 437 HG13 VAL 60 3HG1 VAL 60 1.031 -0.865 -3.190 438 HG21 VAL 60 3HG2 VAL 60 2.980 0.400 -4.407 439 HG22 VAL 60 1HG2 VAL 60 3.360 -1.142 -5.176 440 HG23 VAL 60 2HG2 VAL 60 4.604 -0.277 -4.274 441 H GLU 61 H GLU 61 4.340 1.941 -1.297 442 HA GLU 61 HA GLU 61 1.838 3.346 -1.233 443 HB2 GLU 61 2HB GLU 61 4.638 4.476 -1.138 444 HB3 GLU 61 1HB GLU 61 3.158 5.304 -0.675 445 HG2 GLU 61 2HG GLU 61 4.273 2.855 0.689 446 HG3 GLU 61 1HG GLU 61 4.466 4.512 1.240 447 H PHE 62 H PHE 62 0.833 3.682 -3.012 448 HA PHE 62 HA PHE 62 2.225 4.706 -5.415 449 HB2 PHE 62 2HB PHE 62 1.274 2.390 -5.610 450 HB3 PHE 62 1HB PHE 62 -0.321 3.047 -5.273 451 HD1 PHE 62 HD1 PHE 62 -1.125 4.940 -6.897 452 HD2 PHE 62 HD2 PHE 62 1.947 2.131 -7.802 453 HE1 PHE 62 HE1 PHE 62 -1.491 5.314 -9.307 454 HE2 PHE 62 HE2 PHE 62 1.596 2.510 -10.204 455 HZ PHE 62 HZ PHE 62 -0.124 4.100 -10.959 456 H LEU 63 H LEU 63 1.830 6.935 -5.330 457 HA LEU 63 HA LEU 63 -0.919 7.795 -4.727 458 HB2 LEU 63 2HB LEU 63 -0.115 9.519 -3.184 459 HB3 LEU 63 1HB LEU 63 0.245 7.900 -2.618 460 HG LEU 63 HG LEU 63 2.313 9.611 -4.011 461 HD11 LEU 63 1HD1 LEU 63 1.796 9.389 -1.045 462 HD12 LEU 63 2HD1 LEU 63 1.518 10.818 -2.041 463 HD13 LEU 63 3HD1 LEU 63 3.159 10.217 -1.799 464 HD21 LEU 63 3HD2 LEU 63 2.877 7.260 -3.936 465 HD22 LEU 63 1HD2 LEU 63 2.507 7.186 -2.216 466 HD23 LEU 63 2HD2 LEU 63 3.884 8.129 -2.789 467 H TYR 64 H TYR 64 -1.643 9.618 -5.682 468 HA TYR 64 HA TYR 64 -1.803 11.448 -6.993 469 HB2 TYR 64 2HB TYR 64 1.167 11.647 -6.483 470 HB3 TYR 64 1HB TYR 64 0.243 12.870 -7.351 471 HD1 TYR 64 HD1 TYR 64 -1.699 13.997 -6.118 472 HD2 TYR 64 HD2 TYR 64 1.264 11.681 -4.121 473 HE1 TYR 64 HE1 TYR 64 -2.303 15.065 -3.990 474 HE2 TYR 64 HE2 TYR 64 0.664 12.746 -1.987 475 HH TYR 64 HH TYR 64 -2.151 14.553 -1.565 476 H PHE 65 H PHE 65 -0.794 8.680 -8.092 477 HA PHE 65 HA PHE 65 -0.355 9.706 -10.820 478 HB2 PHE 65 2HB PHE 65 1.104 7.426 -9.483 479 HB3 PHE 65 1HB PHE 65 1.088 7.659 -11.229 480 HD1 PHE 65 HD1 PHE 65 2.123 9.678 -12.218 481 HD2 PHE 65 HD2 PHE 65 2.469 8.780 -8.068 482 HE1 PHE 65 HE1 PHE 65 4.005 11.245 -12.040 483 HE2 PHE 65 HE2 PHE 65 4.349 10.353 -7.887 484 HZ PHE 65 HZ PHE 65 5.121 11.587 -9.870 485 H MET 66 H MET 66 -0.799 8.075 -12.525 486 HA MET 66 HA MET 66 -3.481 7.151 -12.212 487 HB2 MET 66 2HB MET 66 -2.684 8.141 -14.300 488 HB3 MET 66 1HB MET 66 -1.525 6.836 -14.498 489 HG2 MET 66 2HG MET 66 -3.371 5.235 -14.704 490 HG3 MET 66 1HG MET 66 -4.522 6.560 -14.534 491 HE1 MET 66 3HE MET 66 -5.685 5.766 -16.784 492 HE2 MET 66 1HE MET 66 -4.500 4.475 -16.976 493 HE3 MET 66 2HE MET 66 -4.832 5.574 -18.314 494 H GLY 67 H GLY 67 -4.172 5.206 -11.567 495 HA2 GLY 67 2HA GLY 67 -2.533 2.818 -12.085 496 HA3 GLY 67 1HA GLY 67 -2.978 3.166 -10.423 497 H GLY 68 H GLY 68 -5.546 3.847 -10.453 498 HA2 GLY 68 2HA GLY 68 -7.733 3.219 -11.072 499 HA3 GLY 68 1HA GLY 68 -7.065 1.974 -12.116 500 H GLY 69 H GLY 69 -8.653 0.522 -11.207 501 HA2 GLY 69 2HA GLY 69 -8.847 -1.443 -9.938 502 HA3 GLY 69 1HA GLY 69 -7.613 -0.842 -8.845 503 H LYS 70 H LYS 70 -10.971 -1.213 -9.394 504 HA LYS 70 HA LYS 70 -11.586 0.349 -6.958 505 HB2 LYS 70 2HB LYS 70 -13.798 0.830 -7.911 506 HB3 LYS 70 1HB LYS 70 -12.512 1.437 -8.947 507 HG2 LYS 70 2HG LYS 70 -12.783 -0.461 -10.445 508 HG3 LYS 70 1HG LYS 70 -14.032 -1.131 -9.392 509 HD2 LYS 70 2HD LYS 70 -15.416 0.878 -9.793 510 HD3 LYS 70 1HD LYS 70 -14.175 1.496 -10.888 511 HE2 LYS 70 2HE LYS 70 -14.491 -0.439 -12.350 512 HE3 LYS 70 1HE LYS 70 -15.697 -1.090 -11.242 513 HZ1 LYS 70 3HZ LYS 70 -17.098 0.811 -11.673 514 HZ2 LYS 70 1HZ LYS 70 -16.702 0.046 -13.129 515 HZ3 LYS 70 2HZ LYS 70 -15.930 1.482 -12.699 516 H LEU 71 H LEU 71 -12.978 -0.543 -5.456 517 HA LEU 71 HA LEU 71 -13.565 -3.410 -5.744 518 HB2 LEU 71 2HB LEU 71 -13.633 -1.585 -3.326 519 HB3 LEU 71 1HB LEU 71 -14.127 -3.266 -3.294 520 HG LEU 71 HG LEU 71 -11.925 -3.154 -2.392 521 HD11 LEU 71 1HD1 LEU 71 -12.356 -5.061 -3.845 522 HD12 LEU 71 2HD1 LEU 71 -10.658 -4.588 -3.893 523 HD13 LEU 71 3HD1 LEU 71 -11.732 -4.162 -5.230 524 HD21 LEU 71 3HD2 LEU 71 -11.069 -1.685 -4.888 525 HD22 LEU 71 1HD2 LEU 71 -10.016 -2.198 -3.569 526 HD23 LEU 71 2HD2 LEU 71 -11.258 -0.980 -3.283 527 H GLU 72 H GLU 72 -15.168 -2.282 -7.411 528 HA GLU 72 HA GLU 72 -17.449 -0.953 -6.284 529 HB2 GLU 72 2HB GLU 72 -16.519 -0.397 -8.507 530 HB3 GLU 72 1HB GLU 72 -17.017 -1.977 -9.097 531 HG2 GLU 72 2HG GLU 72 -19.342 -1.407 -8.795 532 HG3 GLU 72 1HG GLU 72 -18.907 0.126 -8.042 533 H HIS 73 H HIS 73 -17.880 -2.843 -4.807 534 HA HIS 73 HA HIS 73 -19.129 -4.663 -4.166 535 HB2 HIS 73 2HB HIS 73 -20.688 -2.700 -4.461 536 HB3 HIS 73 1HB HIS 73 -21.140 -3.374 -6.024 537 HD1 HIS 73 HD1 HIS 73 -23.320 -4.530 -5.842 538 HD2 HIS 73 HD2 HIS 73 -21.067 -4.963 -2.381 539 HE1 HIS 73 HE1 HIS 73 -24.728 -5.912 -4.292 540 HE2 HIS 73 HE2 HIS 73 -23.273 -6.302 -2.280 541 H HIS 74 H HIS 74 -17.530 -5.897 -5.754 542 HA HIS 74 HA HIS 74 -18.668 -6.921 -8.173 543 HB2 HIS 74 2HB HIS 74 -16.660 -8.460 -8.147 544 HB3 HIS 74 1HB HIS 74 -16.297 -6.739 -8.115 545 HD1 HIS 74 HD1 HIS 74 -14.787 -5.960 -6.304 546 HD2 HIS 74 HD2 HIS 74 -16.371 -9.717 -5.499 547 HE1 HIS 74 HE1 HIS 74 -13.625 -6.748 -4.222 548 HE2 HIS 74 HE2 HIS 74 -14.654 -8.983 -3.710 549 H HIS 75 H HIS 75 -19.111 -9.143 -8.660 550 HA HIS 75 HA HIS 75 -20.949 -10.333 -6.900 551 HB2 HIS 75 2HB HIS 75 -20.837 -10.548 -9.427 552 HB3 HIS 75 1HB HIS 75 -19.534 -11.708 -9.199 553 HD1 HIS 75 HD1 HIS 75 -20.286 -14.055 -9.182 554 HD2 HIS 75 HD2 HIS 75 -23.304 -11.476 -7.960 555 HE1 HIS 75 HE1 HIS 75 -22.314 -15.493 -8.883 556 HE2 HIS 75 HE2 HIS 75 -24.059 -13.950 -7.944 557 H HIS 76 H HIS 76 -20.474 -11.332 -5.019 558 HA HIS 76 HA HIS 76 -17.868 -12.494 -4.544 559 HB2 HIS 76 2HB HIS 76 -18.694 -12.921 -2.260 560 HB3 HIS 76 1HB HIS 76 -18.962 -11.254 -2.749 561 HD1 HIS 76 HD1 HIS 76 -21.364 -10.418 -2.817 562 HD2 HIS 76 HD2 HIS 76 -21.073 -14.488 -2.020 563 HE1 HIS 76 HE1 HIS 76 -23.663 -11.133 -2.118 564 HE2 HIS 76 HE2 HIS 76 -23.439 -13.565 -1.526 565 H HIS 77 H HIS 77 -17.350 -14.639 -4.217 566 HA HIS 77 HA HIS 77 -19.105 -16.823 -4.130 567 HB2 HIS 77 2HB HIS 77 -19.794 -16.310 -6.379 568 HB3 HIS 77 1HB HIS 77 -18.128 -16.104 -6.907 569 HD1 HIS 77 HD1 HIS 77 -16.980 -18.118 -7.832 570 HD2 HIS 77 HD2 HIS 77 -20.468 -19.110 -5.803 571 HE1 HIS 77 HE1 HIS 77 -17.322 -20.565 -8.250 572 HE2 HIS 77 HE2 HIS 77 -19.331 -21.179 -6.873 573 H HIS 78 H HIS 78 -17.992 -18.668 -3.635 574 HA HIS 78 HA HIS 78 -15.084 -18.694 -4.136 575 HB2 HIS 78 2HB HIS 78 -14.927 -19.963 -1.893 576 HB3 HIS 78 1HB HIS 78 -15.151 -18.221 -1.846 577 HD1 HIS 78 HD1 HIS 78 -17.162 -21.413 -1.423 578 HD2 HIS 78 HD2 HIS 78 -17.325 -17.380 -0.437 579 HE1 HIS 78 HE1 HIS 78 -19.100 -21.186 0.153 580 HE2 HIS 78 HE2 HIS 78 -19.047 -18.781 0.888 Start of MODEL 19 1 H1 MET 1 1H MET 1 -3.963 -11.357 -1.659 2 H2 MET 1 2H MET 1 -4.537 -12.057 -0.235 3 H3 MET 1 3H MET 1 -3.432 -12.895 -1.200 4 HA MET 1 HA MET 1 -2.381 -11.972 0.766 5 HB2 MET 1 2HB MET 1 -0.501 -10.882 -0.370 6 HB3 MET 1 1HB MET 1 -1.045 -12.299 -1.253 7 HG2 MET 1 2HG MET 1 -2.178 -10.901 -2.872 8 HG3 MET 1 1HG MET 1 -1.754 -9.456 -1.952 9 HE1 MET 1 3HE MET 1 -0.767 -8.445 -4.251 10 HE2 MET 1 1HE MET 1 -1.121 -9.943 -5.110 11 HE3 MET 1 2HE MET 1 0.493 -9.236 -5.196 12 H ASN 2 H ASN 2 -1.752 -10.203 2.015 13 HA ASN 2 HA ASN 2 -3.526 -7.887 1.862 14 HB2 ASN 2 2HB ASN 2 -1.464 -8.604 3.967 15 HB3 ASN 2 1HB ASN 2 -2.711 -7.366 4.104 16 HD21 ASN 2 1HD2 ASN 2 -2.204 -9.701 5.763 17 HD22 ASN 2 2HD2 ASN 2 -3.661 -10.630 5.738 18 H LEU 3 H LEU 3 -2.891 -6.118 0.747 19 HA LEU 3 HA LEU 3 -0.025 -5.368 0.808 20 HB2 LEU 3 2HB LEU 3 -2.008 -4.485 -1.289 21 HB3 LEU 3 1HB LEU 3 -0.260 -4.329 -1.325 22 HG LEU 3 HG LEU 3 -1.842 -6.896 -1.597 23 HD11 LEU 3 1HD1 LEU 3 -1.902 -5.470 -3.581 24 HD12 LEU 3 2HD1 LEU 3 -0.961 -6.932 -3.867 25 HD13 LEU 3 3HD1 LEU 3 -0.140 -5.397 -3.588 26 HD21 LEU 3 3HD2 LEU 3 1.152 -6.505 -1.695 27 HD22 LEU 3 1HD2 LEU 3 0.280 -8.014 -1.967 28 HD23 LEU 3 2HD2 LEU 3 0.264 -7.262 -0.373 29 H THR 4 H THR 4 0.101 -2.833 0.267 30 HA THR 4 HA THR 4 -2.033 -1.329 1.604 31 HB THR 4 HB THR 4 0.852 -1.064 2.510 32 HG1 THR 4 HG1 THR 4 0.267 -2.854 3.541 33 HG21 THR 4 3HG2 THR 4 -0.097 0.341 4.292 34 HG22 THR 4 1HG2 THR 4 -1.700 0.159 3.580 35 HG23 THR 4 2HG2 THR 4 -0.435 1.011 2.696 36 H VAL 5 H VAL 5 -2.349 0.640 0.675 37 HA VAL 5 HA VAL 5 -0.185 1.755 -1.005 38 HB VAL 5 HB VAL 5 -3.150 1.880 -1.635 39 HG11 VAL 5 1HG1 VAL 5 -0.761 2.891 -3.190 40 HG12 VAL 5 2HG1 VAL 5 -1.985 3.877 -2.390 41 HG13 VAL 5 3HG1 VAL 5 -2.426 2.877 -3.774 42 HG21 VAL 5 3HG2 VAL 5 -2.259 -0.370 -2.006 43 HG22 VAL 5 1HG2 VAL 5 -0.955 0.295 -2.990 44 HG23 VAL 5 2HG2 VAL 5 -2.626 0.415 -3.540 45 H ASN 6 H ASN 6 0.535 3.552 -0.021 46 HA ASN 6 HA ASN 6 0.584 5.626 0.928 47 HB2 ASN 6 2HB ASN 6 -2.266 5.678 -0.078 48 HB3 ASN 6 1HB ASN 6 -1.551 7.035 0.781 49 HD21 ASN 6 1HD2 ASN 6 0.197 4.973 -1.465 50 HD22 ASN 6 2HD2 ASN 6 0.424 6.190 -2.669 51 H GLY 7 H GLY 7 0.170 3.395 2.596 52 HA2 GLY 7 2HA GLY 7 -0.143 3.114 4.878 53 HA3 GLY 7 1HA GLY 7 -0.834 4.725 4.949 54 H LYS 8 H LYS 8 -2.562 3.278 2.588 55 HA LYS 8 HA LYS 8 -4.653 2.383 4.450 56 HB2 LYS 8 2HB LYS 8 -4.712 3.414 1.630 57 HB3 LYS 8 1HB LYS 8 -6.027 2.404 2.206 58 HG2 LYS 8 2HG LYS 8 -6.753 4.607 2.536 59 HG3 LYS 8 1HG LYS 8 -6.273 4.031 4.126 60 HD2 LYS 8 2HD LYS 8 -5.463 6.257 3.904 61 HD3 LYS 8 1HD LYS 8 -4.066 5.183 3.787 62 HE2 LYS 8 2HE LYS 8 -3.983 5.444 1.408 63 HE3 LYS 8 1HE LYS 8 -5.533 6.286 1.389 64 HZ1 LYS 8 3HZ LYS 8 -3.054 7.302 2.672 65 HZ2 LYS 8 1HZ LYS 8 -4.537 8.112 2.579 66 HZ3 LYS 8 2HZ LYS 8 -3.656 7.805 1.172 67 HA PRO 9 HA PRO 9 -3.412 -1.840 3.395 68 HB2 PRO 9 2HB PRO 9 -5.869 -2.466 4.956 69 HB3 PRO 9 1HB PRO 9 -4.217 -3.055 5.170 70 HG2 PRO 9 2HG PRO 9 -5.258 -1.269 6.855 71 HG3 PRO 9 1HG PRO 9 -3.557 -1.171 6.359 72 HD2 PRO 9 2HD PRO 9 -5.909 0.433 5.402 73 HD3 PRO 9 1HD PRO 9 -4.254 0.969 5.769 74 H SER 10 H SER 10 -4.181 -3.464 2.022 75 HA SER 10 HA SER 10 -6.895 -3.338 0.990 76 HB2 SER 10 2HB SER 10 -5.615 -1.721 -0.429 77 HB3 SER 10 1HB SER 10 -4.565 -3.047 -0.929 78 HG SER 10 HG SER 10 -6.284 -2.649 -2.414 79 H THR 11 H THR 11 -7.491 -5.367 1.255 80 HA THR 11 HA THR 11 -5.652 -7.597 0.941 81 HB THR 11 HB THR 11 -8.623 -7.642 1.568 82 HG1 THR 11 HG1 THR 11 -6.914 -8.219 3.625 83 HG21 THR 11 3HG2 THR 11 -8.183 -9.881 2.451 84 HG22 THR 11 1HG2 THR 11 -6.492 -9.747 1.975 85 HG23 THR 11 2HG2 THR 11 -7.753 -9.791 0.741 86 H VAL 12 H VAL 12 -5.204 -8.209 -1.126 87 HA VAL 12 HA VAL 12 -7.474 -8.539 -2.998 88 HB VAL 12 HB VAL 12 -5.933 -8.059 -4.874 89 HG11 VAL 12 1HG1 VAL 12 -5.802 -5.636 -4.551 90 HG12 VAL 12 2HG1 VAL 12 -6.097 -5.848 -2.824 91 HG13 VAL 12 3HG1 VAL 12 -7.346 -6.278 -3.993 92 HG21 VAL 12 3HG2 VAL 12 -3.756 -7.010 -4.443 93 HG22 VAL 12 1HG2 VAL 12 -3.811 -8.655 -3.812 94 HG23 VAL 12 2HG2 VAL 12 -3.962 -7.283 -2.712 95 H ASP 13 H ASP 13 -7.683 -10.466 -4.005 96 HA ASP 13 HA ASP 13 -5.526 -12.454 -3.650 97 HB2 ASP 13 2HB ASP 13 -7.521 -12.969 -2.291 98 HB3 ASP 13 1HB ASP 13 -8.518 -12.943 -3.744 99 H GLY 14 H GLY 14 -5.169 -13.948 -5.354 100 HA2 GLY 14 2HA GLY 14 -5.709 -14.803 -7.570 101 HA3 GLY 14 1HA GLY 14 -6.341 -13.216 -7.971 102 H ALA 15 H ALA 15 -3.297 -13.744 -6.278 103 HA ALA 15 HA ALA 15 -1.752 -13.181 -8.706 104 HB1 ALA 15 3HB ALA 15 -0.523 -11.350 -7.635 105 HB2 ALA 15 1HB ALA 15 -1.564 -11.477 -6.216 106 HB3 ALA 15 2HB ALA 15 -2.243 -10.978 -7.766 107 H GLU 16 H GLU 16 -0.015 -14.496 -8.777 108 HA GLU 16 HA GLU 16 0.784 -15.852 -6.281 109 HB2 GLU 16 2HB GLU 16 -0.127 -17.277 -8.094 110 HB3 GLU 16 1HB GLU 16 1.182 -16.755 -9.144 111 HG2 GLU 16 2HG GLU 16 2.809 -17.782 -7.635 112 HG3 GLU 16 1HG GLU 16 1.500 -18.294 -6.569 113 H SER 17 H SER 17 2.200 -14.117 -5.659 114 HA SER 17 HA SER 17 4.209 -13.069 -5.425 115 HB2 SER 17 2HB SER 17 5.172 -15.724 -6.516 116 HB3 SER 17 1HB SER 17 6.208 -14.528 -5.736 117 HG SER 17 HG SER 17 3.940 -15.757 -4.537 118 H LEU 18 H LEU 18 4.246 -11.323 -6.793 119 HA LEU 18 HA LEU 18 5.693 -11.689 -9.325 120 HB2 LEU 18 2HB LEU 18 4.096 -9.923 -10.311 121 HB3 LEU 18 1HB LEU 18 3.555 -11.584 -10.192 122 HG LEU 18 HG LEU 18 2.307 -10.961 -8.097 123 HD11 LEU 18 1HD1 LEU 18 3.033 -8.152 -8.923 124 HD12 LEU 18 2HD1 LEU 18 3.525 -8.977 -7.443 125 HD13 LEU 18 3HD1 LEU 18 1.828 -8.583 -7.709 126 HD21 LEU 18 3HD2 LEU 18 1.154 -11.162 -10.224 127 HD22 LEU 18 1HD2 LEU 18 1.563 -9.493 -10.630 128 HD23 LEU 18 2HD2 LEU 18 0.473 -9.834 -9.284 129 H ASN 19 H ASN 19 6.778 -9.812 -10.140 130 HA ASN 19 HA ASN 19 7.912 -8.174 -8.098 131 HB2 ASN 19 2HB ASN 19 9.111 -7.065 -9.999 132 HB3 ASN 19 1HB ASN 19 9.299 -8.816 -9.950 133 HD21 ASN 19 1HD2 ASN 19 8.469 -10.041 -11.587 134 HD22 ASN 19 2HD2 ASN 19 7.768 -9.373 -13.015 135 H VAL 20 H VAL 20 8.105 -5.738 -8.385 136 HA VAL 20 HA VAL 20 5.636 -4.519 -7.979 137 HB VAL 20 HB VAL 20 8.195 -3.175 -8.884 138 HG11 VAL 20 1HG1 VAL 20 5.792 -2.005 -7.473 139 HG12 VAL 20 2HG1 VAL 20 6.263 -1.705 -9.146 140 HG13 VAL 20 3HG1 VAL 20 7.297 -1.155 -7.829 141 HG21 VAL 20 3HG2 VAL 20 8.522 -4.517 -6.869 142 HG22 VAL 20 1HG2 VAL 20 7.164 -3.702 -6.093 143 HG23 VAL 20 2HG2 VAL 20 8.620 -2.793 -6.502 144 H THR 21 H THR 21 7.569 -4.645 -10.967 145 HA THR 21 HA THR 21 6.004 -2.924 -12.531 146 HB THR 21 HB THR 21 7.644 -5.307 -13.435 147 HG1 THR 21 HG1 THR 21 8.424 -2.597 -13.632 148 HG21 THR 21 3HG2 THR 21 6.594 -2.949 -15.015 149 HG22 THR 21 1HG2 THR 21 6.082 -4.628 -15.183 150 HG23 THR 21 2HG2 THR 21 7.726 -4.160 -15.619 151 H GLU 22 H GLU 22 5.748 -6.468 -12.104 152 HA GLU 22 HA GLU 22 3.514 -6.772 -13.835 153 HB2 GLU 22 2HB GLU 22 4.500 -8.502 -11.560 154 HB3 GLU 22 1HB GLU 22 3.168 -8.951 -12.618 155 HG2 GLU 22 2HG GLU 22 4.786 -8.692 -14.550 156 HG3 GLU 22 1HG GLU 22 6.065 -8.594 -13.342 157 H LEU 23 H LEU 23 3.782 -6.103 -10.370 158 HA LEU 23 HA LEU 23 1.118 -6.377 -9.602 159 HB2 LEU 23 2HB LEU 23 2.969 -5.980 -8.036 160 HB3 LEU 23 1HB LEU 23 3.142 -4.344 -8.645 161 HG LEU 23 HG LEU 23 0.831 -3.845 -7.831 162 HD11 LEU 23 1HD1 LEU 23 -0.080 -6.097 -7.818 163 HD12 LEU 23 2HD1 LEU 23 -0.201 -5.375 -6.215 164 HD13 LEU 23 3HD1 LEU 23 1.052 -6.570 -6.549 165 HD21 LEU 23 3HD2 LEU 23 2.765 -3.206 -6.503 166 HD22 LEU 23 1HD2 LEU 23 2.798 -4.798 -5.746 167 HD23 LEU 23 2HD2 LEU 23 1.438 -3.711 -5.455 168 H LEU 24 H LEU 24 2.735 -3.346 -10.636 169 HA LEU 24 HA LEU 24 0.311 -1.872 -10.787 170 HB2 LEU 24 2HB LEU 24 1.662 -0.153 -11.944 171 HB3 LEU 24 1HB LEU 24 2.360 -0.702 -10.434 172 HG LEU 24 HG LEU 24 3.782 -2.280 -11.988 173 HD11 LEU 24 1HD1 LEU 24 4.332 -1.253 -14.143 174 HD12 LEU 24 2HD1 LEU 24 3.040 -0.074 -13.908 175 HD13 LEU 24 3HD1 LEU 24 2.654 -1.786 -14.074 176 HD21 LEU 24 3HD2 LEU 24 5.518 -0.553 -12.127 177 HD22 LEU 24 1HD2 LEU 24 4.720 -0.562 -10.555 178 HD23 LEU 24 2HD2 LEU 24 4.318 0.681 -11.740 179 H SER 25 H SER 25 1.969 -3.926 -13.059 180 HA SER 25 HA SER 25 0.650 -3.100 -15.427 181 HB2 SER 25 2HB SER 25 2.668 -4.559 -15.396 182 HB3 SER 25 1HB SER 25 1.681 -5.873 -14.761 183 HG SER 25 HG SER 25 1.939 -4.956 -17.314 184 H ALA 26 H ALA 26 -0.216 -5.434 -12.911 185 HA ALA 26 HA ALA 26 -2.580 -6.426 -14.126 186 HB1 ALA 26 3HB ALA 26 -1.921 -6.200 -11.185 187 HB2 ALA 26 1HB ALA 26 -1.473 -7.541 -12.238 188 HB3 ALA 26 2HB ALA 26 -3.173 -7.221 -11.894 189 H LEU 27 H LEU 27 -1.873 -3.512 -12.351 190 HA LEU 27 HA LEU 27 -4.657 -2.708 -12.102 191 HB2 LEU 27 2HB LEU 27 -2.470 -2.124 -10.643 192 HB3 LEU 27 1HB LEU 27 -2.415 -0.765 -11.743 193 HG LEU 27 HG LEU 27 -3.525 -0.246 -9.586 194 HD11 LEU 27 1HD1 LEU 27 -5.461 0.906 -10.470 195 HD12 LEU 27 2HD1 LEU 27 -5.414 -0.082 -11.931 196 HD13 LEU 27 3HD1 LEU 27 -4.103 1.047 -11.588 197 HD21 LEU 27 3HD2 LEU 27 -5.753 -1.156 -9.113 198 HD22 LEU 27 1HD2 LEU 27 -4.518 -2.415 -9.134 199 HD23 LEU 27 2HD2 LEU 27 -5.608 -2.226 -10.508 200 H LYS 28 H LYS 28 -2.519 -2.884 -14.600 201 HA LYS 28 HA LYS 28 -2.469 -2.126 -16.731 202 HB2 LYS 28 2HB LYS 28 -5.114 -0.836 -16.022 203 HB3 LYS 28 1HB LYS 28 -4.469 -0.996 -17.652 204 HG2 LYS 28 2HG LYS 28 -4.571 -3.420 -17.487 205 HG3 LYS 28 1HG LYS 28 -5.138 -3.300 -15.820 206 HD2 LYS 28 2HD LYS 28 -7.016 -3.728 -17.293 207 HD3 LYS 28 1HD LYS 28 -7.151 -2.105 -16.614 208 HE2 LYS 28 2HE LYS 28 -6.211 -1.181 -18.706 209 HE3 LYS 28 1HE LYS 28 -6.148 -2.812 -19.376 210 HZ1 LYS 28 3HZ LYS 28 -8.555 -2.953 -19.151 211 HZ2 LYS 28 1HZ LYS 28 -8.113 -1.637 -20.117 212 HZ3 LYS 28 2HZ LYS 28 -8.608 -1.385 -18.522 213 H VAL 29 H VAL 29 -1.305 -0.539 -14.527 214 HA VAL 29 HA VAL 29 -1.548 2.233 -15.198 215 HB VAL 29 HB VAL 29 0.656 0.836 -13.656 216 HG11 VAL 29 1HG1 VAL 29 1.361 3.030 -14.468 217 HG12 VAL 29 2HG1 VAL 29 1.133 3.059 -12.720 218 HG13 VAL 29 3HG1 VAL 29 -0.089 3.766 -13.780 219 HG21 VAL 29 3HG2 VAL 29 -1.844 2.218 -12.668 220 HG22 VAL 29 1HG2 VAL 29 -0.546 1.596 -11.648 221 HG23 VAL 29 2HG2 VAL 29 -1.517 0.485 -12.614 222 H ALA 30 H ALA 30 -0.870 3.018 -17.108 223 HA ALA 30 HA ALA 30 1.059 1.858 -18.805 224 HB1 ALA 30 3HB ALA 30 0.103 4.724 -18.703 225 HB2 ALA 30 1HB ALA 30 -0.644 3.414 -19.616 226 HB3 ALA 30 2HB ALA 30 0.971 3.979 -20.045 227 H GLN 31 H GLN 31 3.159 2.790 -19.446 228 HA GLN 31 HA GLN 31 5.320 3.286 -18.957 229 HB2 GLN 31 2HB GLN 31 4.124 5.267 -16.995 230 HB3 GLN 31 1HB GLN 31 5.776 5.280 -17.600 231 HG2 GLN 31 2HG GLN 31 4.900 5.642 -19.887 232 HG3 GLN 31 1HG GLN 31 3.272 5.728 -19.219 233 HE21 GLN 31 1HE2 GLN 31 2.721 7.510 -17.909 234 HE22 GLN 31 2HE2 GLN 31 3.634 8.976 -17.954 235 H ALA 32 H ALA 32 5.427 1.116 -18.079 236 HA ALA 32 HA ALA 32 4.819 0.511 -15.371 237 HB1 ALA 32 3HB ALA 32 6.479 -1.093 -17.315 238 HB2 ALA 32 1HB ALA 32 4.720 -1.133 -17.198 239 HB3 ALA 32 2HB ALA 32 5.705 -1.689 -15.846 240 H GLU 33 H GLU 33 7.592 1.900 -16.776 241 HA GLU 33 HA GLU 33 9.177 1.298 -14.363 242 HB2 GLU 33 2HB GLU 33 11.190 1.663 -15.627 243 HB3 GLU 33 1HB GLU 33 10.194 0.503 -16.487 244 HG2 GLU 33 2HG GLU 33 10.299 3.433 -17.187 245 HG3 GLU 33 1HG GLU 33 11.360 2.223 -17.899 246 H TYR 34 H TYR 34 8.228 3.897 -16.604 247 HA TYR 34 HA TYR 34 9.704 5.967 -15.418 248 HB2 TYR 34 2HB TYR 34 7.037 6.252 -16.815 249 HB3 TYR 34 1HB TYR 34 8.240 7.513 -16.584 250 HD1 TYR 34 HD2 TYR 34 10.745 6.385 -17.398 251 HD2 TYR 34 HD1 TYR 34 6.882 5.710 -19.062 252 HE1 TYR 34 HE2 TYR 34 11.774 5.805 -19.555 253 HE2 TYR 34 HE1 TYR 34 7.901 5.127 -21.213 254 HH TYR 34 HH TYR 34 11.113 4.407 -21.596 255 H VAL 35 H VAL 35 6.817 4.419 -14.333 256 HA VAL 35 HA VAL 35 5.711 6.392 -12.680 257 HB VAL 35 HB VAL 35 4.554 4.274 -13.189 258 HG11 VAL 35 1HG1 VAL 35 6.581 2.991 -11.346 259 HG12 VAL 35 2HG1 VAL 35 6.471 2.760 -13.091 260 HG13 VAL 35 3HG1 VAL 35 5.169 2.195 -12.045 261 HG21 VAL 35 3HG2 VAL 35 4.985 4.690 -10.224 262 HG22 VAL 35 1HG2 VAL 35 3.628 3.836 -10.961 263 HG23 VAL 35 2HG2 VAL 35 3.838 5.564 -11.238 264 H THR 36 H THR 36 5.965 6.846 -10.461 265 HA THR 36 HA THR 36 8.464 5.855 -9.233 266 HB THR 36 HB THR 36 7.089 8.520 -8.769 267 HG1 THR 36 HG1 THR 36 9.738 8.318 -9.643 268 HG21 THR 36 3HG2 THR 36 9.620 7.398 -7.539 269 HG22 THR 36 1HG2 THR 36 8.100 7.699 -6.696 270 HG23 THR 36 2HG2 THR 36 9.032 9.049 -7.342 271 H VAL 37 H VAL 37 8.051 4.397 -7.704 272 HA VAL 37 HA VAL 37 5.828 4.886 -5.823 273 HB VAL 37 HB VAL 37 5.454 2.462 -5.635 274 HG11 VAL 37 1HG1 VAL 37 4.354 2.108 -7.794 275 HG12 VAL 37 2HG1 VAL 37 5.261 3.455 -8.483 276 HG13 VAL 37 3HG1 VAL 37 4.086 3.747 -7.199 277 HG21 VAL 37 3HG2 VAL 37 7.461 2.218 -7.890 278 HG22 VAL 37 1HG2 VAL 37 6.466 0.904 -7.257 279 HG23 VAL 37 2HG2 VAL 37 7.683 1.660 -6.231 280 H GLU 38 H GLU 38 6.177 4.262 -3.667 281 HA GLU 38 HA GLU 38 8.920 3.426 -2.994 282 HB2 GLU 38 2HB GLU 38 8.773 4.957 -0.993 283 HB3 GLU 38 1HB GLU 38 8.908 5.755 -2.551 284 HG2 GLU 38 2HG GLU 38 6.425 6.092 -2.500 285 HG3 GLU 38 1HG GLU 38 6.437 5.477 -0.848 286 H LEU 39 H LEU 39 9.052 1.722 -1.698 287 HA LEU 39 HA LEU 39 6.632 0.495 -0.684 288 HB2 LEU 39 2HB LEU 39 9.106 -0.419 -1.624 289 HB3 LEU 39 1HB LEU 39 9.128 -0.808 0.081 290 HG LEU 39 HG LEU 39 8.329 -2.695 -1.228 291 HD11 LEU 39 1HD1 LEU 39 7.430 -2.439 1.015 292 HD12 LEU 39 2HD1 LEU 39 6.214 -3.126 -0.060 293 HD13 LEU 39 3HD1 LEU 39 6.124 -1.426 0.399 294 HD21 LEU 39 3HD2 LEU 39 6.122 -0.847 -2.151 295 HD22 LEU 39 1HD2 LEU 39 6.213 -2.581 -2.468 296 HD23 LEU 39 2HD2 LEU 39 7.427 -1.497 -3.146 297 H ASN 40 H ASN 40 5.827 1.161 1.226 298 HA ASN 40 HA ASN 40 5.649 1.806 3.401 299 HB2 ASN 40 2HB ASN 40 8.425 0.606 3.647 300 HB3 ASN 40 1HB ASN 40 7.430 1.116 5.007 301 HD21 ASN 40 1HD2 ASN 40 7.972 -1.296 2.617 302 HD22 ASN 40 2HD2 ASN 40 6.800 -2.424 3.193 303 H GLY 41 H GLY 41 6.665 3.643 1.408 304 HA2 GLY 41 2HA GLY 41 7.325 5.879 1.492 305 HA3 GLY 41 1HA GLY 41 7.867 5.645 3.143 306 H GLU 42 H GLU 42 9.187 3.201 1.327 307 HA GLU 42 HA GLU 42 11.739 4.649 1.032 308 HB2 GLU 42 2HB GLU 42 11.830 2.706 2.491 309 HB3 GLU 42 1HB GLU 42 11.129 1.691 1.240 310 HG2 GLU 42 2HG GLU 42 13.135 2.052 -0.149 311 HG3 GLU 42 1HG GLU 42 13.842 3.010 1.153 312 H VAL 43 H VAL 43 12.128 5.354 -0.998 313 HA VAL 43 HA VAL 43 10.681 4.364 -3.257 314 HB VAL 43 HB VAL 43 11.320 6.720 -3.084 315 HG11 VAL 43 1HG1 VAL 43 13.631 7.444 -3.452 316 HG12 VAL 43 2HG1 VAL 43 14.160 5.760 -3.454 317 HG13 VAL 43 3HG1 VAL 43 13.480 6.470 -1.988 318 HG21 VAL 43 3HG2 VAL 43 10.874 5.799 -5.299 319 HG22 VAL 43 1HG2 VAL 43 12.571 5.345 -5.470 320 HG23 VAL 43 2HG2 VAL 43 12.117 7.047 -5.384 321 H LEU 44 H LEU 44 11.287 3.025 -4.901 322 HA LEU 44 HA LEU 44 13.942 1.738 -4.706 323 HB2 LEU 44 2HB LEU 44 11.395 0.681 -5.961 324 HB3 LEU 44 1HB LEU 44 12.944 -0.136 -6.008 325 HG LEU 44 HG LEU 44 11.707 -1.232 -4.340 326 HD11 LEU 44 1HD1 LEU 44 12.925 -0.804 -2.275 327 HD12 LEU 44 2HD1 LEU 44 13.482 0.746 -2.908 328 HD13 LEU 44 3HD1 LEU 44 14.003 -0.759 -3.669 329 HD21 LEU 44 3HD2 LEU 44 10.993 1.467 -3.188 330 HD22 LEU 44 1HD2 LEU 44 10.551 -0.097 -2.502 331 HD23 LEU 44 2HD2 LEU 44 9.914 0.388 -4.072 332 H GLU 45 H GLU 45 14.954 1.094 -6.741 333 HA GLU 45 HA GLU 45 14.639 3.110 -8.831 334 HB2 GLU 45 2HB GLU 45 16.868 2.260 -7.758 335 HB3 GLU 45 1HB GLU 45 16.682 0.888 -8.833 336 HG2 GLU 45 2HG GLU 45 16.724 3.728 -9.830 337 HG3 GLU 45 1HG GLU 45 18.188 2.779 -9.603 338 H ARG 46 H ARG 46 14.491 2.452 -11.124 339 HA ARG 46 HA ARG 46 12.291 0.814 -11.590 340 HB2 ARG 46 2HB ARG 46 14.388 1.972 -13.399 341 HB3 ARG 46 1HB ARG 46 13.192 0.858 -14.050 342 HG2 ARG 46 2HG ARG 46 12.451 3.108 -14.408 343 HG3 ARG 46 1HG ARG 46 11.398 2.332 -13.229 344 HD2 ARG 46 2HD ARG 46 12.888 3.457 -11.454 345 HD3 ARG 46 1HD ARG 46 13.483 4.453 -12.784 346 HE ARG 46 HE ARG 46 10.604 4.288 -12.212 347 HH11 ARG 46 1HH1 ARG 46 13.458 6.181 -12.613 348 HH12 ARG 46 2HH1 ARG 46 12.612 7.674 -12.429 349 HH21 ARG 46 1HH2 ARG 46 9.546 6.193 -11.980 350 HH22 ARG 46 2HH2 ARG 46 10.418 7.682 -12.079 351 H GLU 47 H GLU 47 15.730 -0.027 -11.860 352 HA GLU 47 HA GLU 47 15.292 -2.659 -12.861 353 HB2 GLU 47 2HB GLU 47 17.445 -1.475 -13.052 354 HB3 GLU 47 1HB GLU 47 17.634 -1.526 -11.305 355 HG2 GLU 47 2HG GLU 47 17.773 -3.955 -11.373 356 HG3 GLU 47 1HG GLU 47 17.519 -3.932 -13.119 357 H ALA 48 H ALA 48 15.333 -1.258 -9.648 358 HA ALA 48 HA ALA 48 15.419 -3.718 -8.195 359 HB1 ALA 48 3HB ALA 48 14.848 -2.363 -6.248 360 HB2 ALA 48 1HB ALA 48 14.475 -0.994 -7.296 361 HB3 ALA 48 2HB ALA 48 16.127 -1.602 -7.194 362 H PHE 49 H PHE 49 12.845 -1.878 -9.694 363 HA PHE 49 HA PHE 49 10.589 -2.887 -8.396 364 HB2 PHE 49 2HB PHE 49 10.983 -2.242 -11.331 365 HB3 PHE 49 1HB PHE 49 9.420 -2.622 -10.622 366 HD1 PHE 49 HD2 PHE 49 11.128 -0.841 -8.162 367 HD2 PHE 49 HD1 PHE 49 9.218 -0.294 -11.933 368 HE1 PHE 49 HE2 PHE 49 10.782 1.539 -7.644 369 HE2 PHE 49 HE1 PHE 49 8.869 2.082 -11.417 370 HZ PHE 49 HZ PHE 49 9.655 3.006 -9.272 371 H ASP 50 H ASP 50 12.522 -4.294 -10.973 372 HA ASP 50 HA ASP 50 10.961 -6.630 -11.370 373 HB2 ASP 50 2HB ASP 50 12.387 -5.859 -13.126 374 HB3 ASP 50 1HB ASP 50 13.798 -5.878 -12.078 375 H ALA 51 H ALA 51 13.748 -5.912 -9.318 376 HA ALA 51 HA ALA 51 14.166 -8.626 -8.480 377 HB1 ALA 51 3HB ALA 51 15.775 -7.691 -6.908 378 HB2 ALA 51 1HB ALA 51 15.179 -6.064 -7.245 379 HB3 ALA 51 2HB ALA 51 15.988 -6.988 -8.512 380 H THR 52 H THR 52 12.345 -5.898 -7.210 381 HA THR 52 HA THR 52 11.809 -7.165 -4.657 382 HB THR 52 HB THR 52 10.520 -4.688 -5.847 383 HG1 THR 52 HG1 THR 52 12.762 -4.389 -5.579 384 HG21 THR 52 3HG2 THR 52 10.653 -5.667 -2.986 385 HG22 THR 52 1HG2 THR 52 9.216 -5.670 -4.011 386 HG23 THR 52 2HG2 THR 52 9.949 -4.142 -3.524 387 H THR 53 H THR 53 10.520 -8.932 -4.726 388 HA THR 53 HA THR 53 8.234 -8.993 -6.561 389 HB THR 53 HB THR 53 8.015 -11.379 -5.925 390 HG1 THR 53 HG1 THR 53 9.505 -10.699 -3.858 391 HG21 THR 53 3HG2 THR 53 10.061 -12.160 -7.036 392 HG22 THR 53 1HG2 THR 53 10.793 -10.572 -6.811 393 HG23 THR 53 2HG2 THR 53 9.384 -10.754 -7.856 394 H VAL 54 H VAL 54 6.417 -8.165 -5.855 395 HA VAL 54 HA VAL 54 5.759 -7.836 -3.086 396 HB VAL 54 HB VAL 54 4.063 -7.426 -5.564 397 HG11 VAL 54 1HG1 VAL 54 2.654 -7.703 -3.598 398 HG12 VAL 54 2HG1 VAL 54 2.636 -6.022 -4.131 399 HG13 VAL 54 3HG1 VAL 54 3.595 -6.493 -2.727 400 HG21 VAL 54 3HG2 VAL 54 6.049 -6.010 -5.548 401 HG22 VAL 54 1HG2 VAL 54 5.652 -5.445 -3.924 402 HG23 VAL 54 2HG2 VAL 54 4.596 -5.047 -5.280 403 H LYS 55 H LYS 55 4.677 -9.180 -1.788 404 HA LYS 55 HA LYS 55 2.576 -10.897 -2.640 405 HB2 LYS 55 2HB LYS 55 3.698 -13.066 -2.020 406 HB3 LYS 55 1HB LYS 55 4.275 -12.332 -3.509 407 HG2 LYS 55 2HG LYS 55 6.262 -11.511 -2.373 408 HG3 LYS 55 1HG LYS 55 5.677 -12.152 -0.836 409 HD2 LYS 55 2HD LYS 55 6.312 -13.804 -3.290 410 HD3 LYS 55 1HD LYS 55 7.374 -13.606 -1.895 411 HE2 LYS 55 2HE LYS 55 5.731 -14.668 -0.454 412 HE3 LYS 55 1HE LYS 55 4.594 -14.789 -1.797 413 HZ1 LYS 55 3HZ LYS 55 6.059 -16.302 -2.908 414 HZ2 LYS 55 1HZ LYS 55 5.786 -16.870 -1.340 415 HZ3 LYS 55 2HZ LYS 55 7.246 -16.114 -1.718 416 H ASP 56 H ASP 56 1.518 -9.811 -0.958 417 HA ASP 56 HA ASP 56 0.590 -9.643 1.109 418 HB2 ASP 56 2HB ASP 56 0.756 -12.143 1.032 419 HB3 ASP 56 1HB ASP 56 2.296 -12.024 1.879 420 H GLY 57 H GLY 57 0.939 -8.435 2.953 421 HA2 GLY 57 2HA GLY 57 2.078 -7.195 4.535 422 HA3 GLY 57 1HA GLY 57 3.451 -8.270 4.313 423 H ASP 58 H ASP 58 1.836 -6.231 1.941 424 HA ASP 58 HA ASP 58 4.415 -4.951 1.324 425 HB2 ASP 58 2HB ASP 58 3.579 -6.203 -0.532 426 HB3 ASP 58 1HB ASP 58 1.965 -5.526 -0.348 427 H ALA 59 H ALA 59 4.323 -2.723 0.504 428 HA ALA 59 HA ALA 59 2.000 -1.112 1.129 429 HB1 ALA 59 3HB ALA 59 4.638 -0.499 2.462 430 HB2 ALA 59 1HB ALA 59 3.214 -1.149 3.272 431 HB3 ALA 59 2HB ALA 59 3.165 0.463 2.561 432 H VAL 60 H VAL 60 2.264 -1.176 -1.274 433 HA VAL 60 HA VAL 60 4.452 0.371 -2.375 434 HB VAL 60 HB VAL 60 3.656 -1.531 -3.642 435 HG11 VAL 60 1HG1 VAL 60 1.004 -0.095 -3.875 436 HG12 VAL 60 2HG1 VAL 60 1.313 -1.560 -2.944 437 HG13 VAL 60 3HG1 VAL 60 1.444 -1.591 -4.702 438 HG21 VAL 60 3HG2 VAL 60 3.371 -0.472 -5.839 439 HG22 VAL 60 1HG2 VAL 60 4.617 0.336 -4.888 440 HG23 VAL 60 2HG2 VAL 60 3.021 1.066 -5.053 441 H GLU 61 H GLU 61 4.306 2.470 -1.664 442 HA GLU 61 HA GLU 61 1.899 4.003 -1.818 443 HB2 GLU 61 2HB GLU 61 4.748 4.601 -1.175 444 HB3 GLU 61 1HB GLU 61 3.716 5.947 -1.628 445 HG2 GLU 61 2HG GLU 61 3.776 5.748 0.757 446 HG3 GLU 61 1HG GLU 61 2.164 5.358 0.180 447 H PHE 62 H PHE 62 1.022 4.176 -3.814 448 HA PHE 62 HA PHE 62 2.554 5.219 -6.061 449 HB2 PHE 62 2HB PHE 62 -0.242 4.247 -5.655 450 HB3 PHE 62 1HB PHE 62 0.017 5.421 -6.940 451 HD1 PHE 62 HD1 PHE 62 0.823 2.014 -5.770 452 HD2 PHE 62 HD2 PHE 62 1.177 4.840 -8.943 453 HE1 PHE 62 HE1 PHE 62 1.569 0.224 -7.290 454 HE2 PHE 62 HE2 PHE 62 1.916 3.054 -10.459 455 HZ PHE 62 HZ PHE 62 2.115 0.748 -9.639 456 H LEU 63 H LEU 63 2.653 7.339 -6.682 457 HA LEU 63 HA LEU 63 0.753 9.257 -5.587 458 HB2 LEU 63 2HB LEU 63 2.442 10.744 -4.682 459 HB3 LEU 63 1HB LEU 63 2.495 9.185 -3.886 460 HG LEU 63 HG LEU 63 4.434 9.995 -6.070 461 HD11 LEU 63 1HD1 LEU 63 4.797 10.150 -3.075 462 HD12 LEU 63 2HD1 LEU 63 4.664 11.519 -4.180 463 HD13 LEU 63 3HD1 LEU 63 6.048 10.432 -4.287 464 HD21 LEU 63 3HD2 LEU 63 5.786 8.151 -5.207 465 HD22 LEU 63 1HD2 LEU 63 4.204 7.575 -5.731 466 HD23 LEU 63 2HD2 LEU 63 4.542 7.779 -4.012 467 H TYR 64 H TYR 64 0.161 10.686 -7.047 468 HA TYR 64 HA TYR 64 0.228 12.340 -8.585 469 HB2 TYR 64 2HB TYR 64 3.205 11.875 -8.483 470 HB3 TYR 64 1HB TYR 64 2.462 13.110 -9.496 471 HD1 TYR 64 HD2 TYR 64 1.157 14.961 -8.414 472 HD2 TYR 64 HD1 TYR 64 3.520 12.243 -6.139 473 HE1 TYR 64 HE2 TYR 64 1.115 16.521 -6.516 474 HE2 TYR 64 HE1 TYR 64 3.483 13.799 -4.234 475 HH TYR 64 HH TYR 64 1.378 16.477 -4.082 476 H PHE 65 H PHE 65 1.823 9.329 -9.467 477 HA PHE 65 HA PHE 65 1.556 9.855 -12.309 478 HB2 PHE 65 2HB PHE 65 2.557 7.476 -10.746 479 HB3 PHE 65 1HB PHE 65 2.388 7.451 -12.499 480 HD1 PHE 65 HD2 PHE 65 4.157 9.089 -9.688 481 HD2 PHE 65 HD1 PHE 65 3.969 8.510 -13.909 482 HE1 PHE 65 HE2 PHE 65 6.366 10.140 -9.933 483 HE2 PHE 65 HE1 PHE 65 6.178 9.563 -14.154 484 HZ PHE 65 HZ PHE 65 7.378 10.380 -12.162 485 H MET 66 H MET 66 -0.928 10.118 -11.432 486 HA MET 66 HA MET 66 -2.312 7.960 -12.782 487 HB2 MET 66 2HB MET 66 -2.131 7.264 -10.340 488 HB3 MET 66 1HB MET 66 -3.159 8.635 -9.951 489 HG2 MET 66 2HG MET 66 -3.943 6.392 -11.806 490 HG3 MET 66 1HG MET 66 -4.360 6.468 -10.096 491 HE1 MET 66 3HE MET 66 -6.477 6.147 -12.567 492 HE2 MET 66 1HE MET 66 -7.769 7.178 -11.954 493 HE3 MET 66 2HE MET 66 -6.911 6.097 -10.858 494 H GLY 67 H GLY 67 -4.189 8.659 -13.764 495 HA2 GLY 67 2HA GLY 67 -5.833 10.774 -12.983 496 HA3 GLY 67 1HA GLY 67 -4.614 11.454 -14.048 497 H GLY 68 H GLY 68 -4.509 8.888 -15.615 498 HA2 GLY 68 2HA GLY 68 -6.348 9.591 -17.641 499 HA3 GLY 68 1HA GLY 68 -5.414 8.108 -17.575 500 H GLY 69 H GLY 69 -8.456 9.214 -17.816 501 HA2 GLY 69 2HA GLY 69 -9.973 7.131 -17.962 502 HA3 GLY 69 1HA GLY 69 -9.669 7.036 -16.237 503 H LYS 70 H LYS 70 -9.686 10.094 -16.220 504 HA LYS 70 HA LYS 70 -11.124 11.779 -15.745 505 HB2 LYS 70 2HB LYS 70 -11.999 11.600 -17.990 506 HB3 LYS 70 1HB LYS 70 -13.007 10.233 -17.538 507 HG2 LYS 70 2HG LYS 70 -14.276 11.726 -16.007 508 HG3 LYS 70 1HG LYS 70 -13.319 13.085 -16.600 509 HD2 LYS 70 2HD LYS 70 -14.183 12.750 -18.848 510 HD3 LYS 70 1HD LYS 70 -15.061 11.312 -18.320 511 HE2 LYS 70 2HE LYS 70 -15.539 14.129 -17.331 512 HE3 LYS 70 1HE LYS 70 -16.537 13.270 -18.503 513 HZ1 LYS 70 3HZ LYS 70 -17.073 11.640 -16.803 514 HZ2 LYS 70 1HZ LYS 70 -17.492 13.193 -16.284 515 HZ3 LYS 70 2HZ LYS 70 -16.102 12.441 -15.680 516 H LEU 71 H LEU 71 -12.538 12.343 -14.122 517 HA LEU 71 HA LEU 71 -13.562 10.200 -12.462 518 HB2 LEU 71 2HB LEU 71 -13.425 13.188 -12.141 519 HB3 LEU 71 1HB LEU 71 -14.361 12.196 -11.038 520 HG LEU 71 HG LEU 71 -12.212 12.647 -10.050 521 HD11 LEU 71 1HD1 LEU 71 -11.429 10.385 -9.621 522 HD12 LEU 71 2HD1 LEU 71 -12.309 9.794 -11.031 523 HD13 LEU 71 3HD1 LEU 71 -13.192 10.440 -9.647 524 HD21 LEU 71 3HD2 LEU 71 -10.112 11.957 -11.070 525 HD22 LEU 71 1HD2 LEU 71 -10.952 13.120 -12.096 526 HD23 LEU 71 2HD2 LEU 71 -10.974 11.404 -12.508 527 H GLU 72 H GLU 72 -15.607 9.576 -12.241 528 HA GLU 72 HA GLU 72 -17.528 10.071 -14.197 529 HB2 GLU 72 2HB GLU 72 -17.866 8.995 -11.391 530 HB3 GLU 72 1HB GLU 72 -19.107 8.921 -12.635 531 HG2 GLU 72 2HG GLU 72 -17.728 7.494 -14.001 532 HG3 GLU 72 1HG GLU 72 -16.377 7.668 -12.881 533 H HIS 73 H HIS 73 -17.449 11.337 -10.844 534 HA HIS 73 HA HIS 73 -19.407 13.383 -11.699 535 HB2 HIS 73 2HB HIS 73 -19.125 12.183 -8.933 536 HB3 HIS 73 1HB HIS 73 -20.311 13.387 -9.427 537 HD1 HIS 73 HD1 HIS 73 -22.349 12.551 -10.791 538 HD2 HIS 73 HD2 HIS 73 -19.656 9.558 -9.766 539 HE1 HIS 73 HE1 HIS 73 -23.510 10.390 -11.315 540 HE2 HIS 73 HE2 HIS 73 -21.833 8.596 -10.766 541 H HIS 74 H HIS 74 -17.353 13.060 -8.769 542 HA HIS 74 HA HIS 74 -15.677 15.271 -9.365 543 HB2 HIS 74 2HB HIS 74 -16.618 16.970 -7.879 544 HB3 HIS 74 1HB HIS 74 -17.801 16.527 -9.105 545 HD1 HIS 74 HD1 HIS 74 -17.733 17.322 -5.698 546 HD2 HIS 74 HD2 HIS 74 -19.541 14.273 -7.867 547 HE1 HIS 74 HE1 HIS 74 -19.571 16.453 -4.234 548 HE2 HIS 74 HE2 HIS 74 -20.777 14.770 -5.656 549 H HIS 75 H HIS 75 -14.116 15.678 -7.735 550 HA HIS 75 HA HIS 75 -13.965 13.704 -5.591 551 HB2 HIS 75 2HB HIS 75 -12.063 15.827 -6.584 552 HB3 HIS 75 1HB HIS 75 -11.764 14.938 -5.095 553 HD1 HIS 75 HD1 HIS 75 -11.986 12.147 -5.594 554 HD2 HIS 75 HD2 HIS 75 -10.771 14.684 -8.654 555 HE1 HIS 75 HE1 HIS 75 -10.750 10.695 -7.215 556 HE2 HIS 75 HE2 HIS 75 -9.870 12.275 -8.960 557 H HIS 76 H HIS 76 -13.741 17.268 -5.786 558 HA HIS 76 HA HIS 76 -14.292 18.931 -4.352 559 HB2 HIS 76 2HB HIS 76 -16.519 17.983 -4.251 560 HB3 HIS 76 1HB HIS 76 -16.005 16.795 -3.059 561 HD1 HIS 76 HD1 HIS 76 -16.305 17.427 -0.670 562 HD2 HIS 76 HD2 HIS 76 -16.439 20.729 -3.195 563 HE1 HIS 76 HE1 HIS 76 -16.949 19.367 0.790 564 HE2 HIS 76 HE2 HIS 76 -17.161 21.320 -0.784 565 H HIS 77 H HIS 77 -12.480 19.533 -3.304 566 HA HIS 77 HA HIS 77 -11.908 18.392 -0.693 567 HB2 HIS 77 2HB HIS 77 -10.682 16.900 -2.233 568 HB3 HIS 77 1HB HIS 77 -9.839 18.291 -2.906 569 HD1 HIS 77 HD1 HIS 77 -8.190 19.566 -1.184 570 HD2 HIS 77 HD2 HIS 77 -9.500 15.795 -0.027 571 HE1 HIS 77 HE1 HIS 77 -6.618 18.835 0.624 572 HE2 HIS 77 HE2 HIS 77 -7.288 16.467 1.129 573 H HIS 78 H HIS 78 -11.226 19.940 0.678 574 HA HIS 78 HA HIS 78 -10.375 22.535 -0.335 575 HB2 HIS 78 2HB HIS 78 -10.792 21.503 2.483 576 HB3 HIS 78 1HB HIS 78 -10.284 23.143 2.104 577 HD1 HIS 78 HD1 HIS 78 -13.201 21.373 2.958 578 HD2 HIS 78 HD2 HIS 78 -12.347 24.341 0.185 579 HE1 HIS 78 HE1 HIS 78 -15.404 22.437 2.417 580 HE2 HIS 78 HE2 HIS 78 -14.819 24.380 0.938 Start of MODEL 20 1 H1 MET 1 1H MET 1 -2.774 -10.450 -3.647 2 H2 MET 1 2H MET 1 -4.010 -11.274 -2.842 3 H3 MET 1 3H MET 1 -2.557 -12.064 -3.187 4 HA MET 1 HA MET 1 -2.705 -11.443 -0.853 5 HB2 MET 1 2HB MET 1 -0.523 -10.274 -0.707 6 HB3 MET 1 1HB MET 1 -0.500 -11.616 -1.842 7 HG2 MET 1 2HG MET 1 -0.874 -8.747 -2.656 8 HG3 MET 1 1HG MET 1 0.682 -9.557 -2.616 9 HE1 MET 1 3HE MET 1 0.141 -8.270 -5.258 10 HE2 MET 1 1HE MET 1 0.354 -9.585 -6.419 11 HE3 MET 1 2HE MET 1 1.442 -9.441 -5.035 12 H ASN 2 H ASN 2 -2.382 -9.657 0.712 13 HA ASN 2 HA ASN 2 -3.986 -7.295 0.023 14 HB2 ASN 2 2HB ASN 2 -3.047 -8.346 2.709 15 HB3 ASN 2 1HB ASN 2 -4.069 -6.930 2.481 16 HD21 ASN 2 1HD2 ASN 2 -5.704 -7.861 3.714 17 HD22 ASN 2 2HD2 ASN 2 -6.700 -9.131 3.098 18 H LEU 3 H LEU 3 -3.136 -5.244 -0.021 19 HA LEU 3 HA LEU 3 -0.318 -4.897 0.814 20 HB2 LEU 3 2HB LEU 3 -1.623 -3.711 -1.644 21 HB3 LEU 3 1HB LEU 3 -0.024 -3.304 -1.066 22 HG LEU 3 HG LEU 3 0.314 -4.763 -2.877 23 HD11 LEU 3 1HD1 LEU 3 1.725 -5.284 -0.971 24 HD12 LEU 3 2HD1 LEU 3 1.362 -6.737 -1.900 25 HD13 LEU 3 3HD1 LEU 3 0.528 -6.434 -0.375 26 HD21 LEU 3 3HD2 LEU 3 -1.731 -6.636 -1.679 27 HD22 LEU 3 1HD2 LEU 3 -0.782 -6.933 -3.138 28 HD23 LEU 3 2HD2 LEU 3 -1.955 -5.615 -3.099 29 H THR 4 H THR 4 0.099 -3.139 2.062 30 HA THR 4 HA THR 4 -2.087 -1.365 2.779 31 HB THR 4 HB THR 4 0.782 -1.144 3.719 32 HG1 THR 4 HG1 THR 4 0.469 -2.918 4.803 33 HG21 THR 4 3HG2 THR 4 -0.246 -0.112 5.707 34 HG22 THR 4 1HG2 THR 4 -1.838 -0.280 4.965 35 HG23 THR 4 2HG2 THR 4 -0.635 0.783 4.237 36 H VAL 5 H VAL 5 -2.348 -0.384 0.667 37 HA VAL 5 HA VAL 5 -0.144 1.057 -0.523 38 HB VAL 5 HB VAL 5 -1.716 -0.085 -1.983 39 HG11 VAL 5 1HG1 VAL 5 -3.733 0.099 -0.616 40 HG12 VAL 5 2HG1 VAL 5 -4.026 0.666 -2.261 41 HG13 VAL 5 3HG1 VAL 5 -3.815 1.830 -0.952 42 HG21 VAL 5 3HG2 VAL 5 -0.564 1.898 -2.840 43 HG22 VAL 5 1HG2 VAL 5 -1.899 2.917 -2.295 44 HG23 VAL 5 2HG2 VAL 5 -2.163 1.725 -3.569 45 H ASN 6 H ASN 6 0.420 3.077 -0.071 46 HA ASN 6 HA ASN 6 0.397 5.254 0.622 47 HB2 ASN 6 2HB ASN 6 -2.572 5.110 0.027 48 HB3 ASN 6 1HB ASN 6 -1.626 6.582 0.211 49 HD21 ASN 6 1HD2 ASN 6 0.660 5.633 -1.281 50 HD22 ASN 6 2HD2 ASN 6 0.171 5.585 -2.930 51 H GLY 7 H GLY 7 -0.352 2.970 2.522 52 HA2 GLY 7 2HA GLY 7 -0.508 3.076 4.880 53 HA3 GLY 7 1HA GLY 7 -1.263 4.656 4.745 54 H LYS 8 H LYS 8 -2.825 2.848 2.516 55 HA LYS 8 HA LYS 8 -4.964 2.097 4.399 56 HB2 LYS 8 2HB LYS 8 -5.145 2.745 1.441 57 HB3 LYS 8 1HB LYS 8 -6.498 2.256 2.449 58 HG2 LYS 8 2HG LYS 8 -6.672 4.587 2.254 59 HG3 LYS 8 1HG LYS 8 -6.015 4.309 3.866 60 HD2 LYS 8 2HD LYS 8 -3.751 4.785 2.994 61 HD3 LYS 8 1HD LYS 8 -4.445 5.109 1.406 62 HE2 LYS 8 2HE LYS 8 -5.726 6.967 2.333 63 HE3 LYS 8 1HE LYS 8 -5.088 6.624 3.941 64 HZ1 LYS 8 3HZ LYS 8 -3.487 7.451 1.578 65 HZ2 LYS 8 1HZ LYS 8 -2.863 7.106 3.116 66 HZ3 LYS 8 2HZ LYS 8 -3.892 8.431 2.895 67 HA PRO 9 HA PRO 9 -4.050 -2.105 3.251 68 HB2 PRO 9 2HB PRO 9 -6.005 -3.358 4.613 69 HB3 PRO 9 1HB PRO 9 -4.642 -2.578 5.424 70 HG2 PRO 9 2HG PRO 9 -7.448 -1.599 5.065 71 HG3 PRO 9 1HG PRO 9 -6.382 -1.459 6.474 72 HD2 PRO 9 2HD PRO 9 -6.826 0.556 4.626 73 HD3 PRO 9 1HD PRO 9 -5.400 0.450 5.676 74 H SER 10 H SER 10 -4.451 -2.143 1.030 75 HA SER 10 HA SER 10 -7.171 -2.785 0.119 76 HB2 SER 10 2HB SER 10 -5.955 -1.068 -1.163 77 HB3 SER 10 1HB SER 10 -4.663 -2.223 -1.496 78 HG SER 10 HG SER 10 -6.691 -1.818 -3.005 79 H THR 11 H THR 11 -6.981 -4.445 -1.910 80 HA THR 11 HA THR 11 -5.310 -6.740 -1.209 81 HB THR 11 HB THR 11 -8.335 -6.920 -1.143 82 HG1 THR 11 HG1 THR 11 -6.452 -6.547 0.794 83 HG21 THR 11 3HG2 THR 11 -7.399 -8.918 -2.175 84 HG22 THR 11 1HG2 THR 11 -7.975 -9.294 -0.552 85 HG23 THR 11 2HG2 THR 11 -6.249 -9.092 -0.849 86 H VAL 12 H VAL 12 -4.513 -7.489 -3.083 87 HA VAL 12 HA VAL 12 -6.191 -7.384 -5.496 88 HB VAL 12 HB VAL 12 -4.149 -7.921 -6.767 89 HG11 VAL 12 1HG1 VAL 12 -3.792 -5.600 -4.864 90 HG12 VAL 12 2HG1 VAL 12 -4.727 -5.577 -6.361 91 HG13 VAL 12 3HG1 VAL 12 -2.976 -5.799 -6.415 92 HG21 VAL 12 3HG2 VAL 12 -1.947 -7.867 -5.637 93 HG22 VAL 12 1HG2 VAL 12 -2.933 -9.240 -5.133 94 HG23 VAL 12 2HG2 VAL 12 -2.770 -7.838 -4.077 95 H ASP 13 H ASP 13 -7.438 -9.104 -5.766 96 HA ASP 13 HA ASP 13 -6.888 -11.625 -4.506 97 HB2 ASP 13 2HB ASP 13 -9.171 -10.759 -4.638 98 HB3 ASP 13 1HB ASP 13 -9.097 -10.785 -6.399 99 H GLY 14 H GLY 14 -6.650 -13.665 -5.543 100 HA2 GLY 14 2HA GLY 14 -6.168 -15.119 -7.312 101 HA3 GLY 14 1HA GLY 14 -6.114 -13.750 -8.408 102 H ALA 15 H ALA 15 -4.203 -12.173 -7.079 103 HA ALA 15 HA ALA 15 -1.789 -13.586 -7.858 104 HB1 ALA 15 3HB ALA 15 -2.180 -10.718 -7.000 105 HB2 ALA 15 1HB ALA 15 -2.184 -11.313 -8.660 106 HB3 ALA 15 2HB ALA 15 -0.709 -11.403 -7.697 107 H GLU 16 H GLU 16 0.118 -13.710 -6.567 108 HA GLU 16 HA GLU 16 -0.233 -13.328 -3.669 109 HB2 GLU 16 2HB GLU 16 -0.689 -15.685 -4.148 110 HB3 GLU 16 1HB GLU 16 0.854 -15.832 -4.978 111 HG2 GLU 16 2HG GLU 16 2.023 -15.364 -2.864 112 HG3 GLU 16 1HG GLU 16 0.466 -15.252 -2.042 113 H SER 17 H SER 17 2.356 -14.678 -5.748 114 HA SER 17 HA SER 17 4.232 -12.765 -4.494 115 HB2 SER 17 2HB SER 17 4.823 -15.475 -5.722 116 HB3 SER 17 1HB SER 17 6.018 -14.397 -5.003 117 HG SER 17 HG SER 17 4.966 -16.220 -3.710 118 H LEU 18 H LEU 18 4.171 -11.058 -5.910 119 HA LEU 18 HA LEU 18 5.073 -11.588 -8.680 120 HB2 LEU 18 2HB LEU 18 3.026 -9.561 -7.763 121 HB3 LEU 18 1HB LEU 18 3.711 -9.607 -9.375 122 HG LEU 18 HG LEU 18 1.983 -11.750 -8.117 123 HD11 LEU 18 1HD1 LEU 18 0.751 -9.737 -8.750 124 HD12 LEU 18 2HD1 LEU 18 0.338 -11.097 -9.791 125 HD13 LEU 18 3HD1 LEU 18 1.418 -9.834 -10.380 126 HD21 LEU 18 3HD2 LEU 18 2.046 -12.840 -10.302 127 HD22 LEU 18 1HD2 LEU 18 3.660 -12.730 -9.606 128 HD23 LEU 18 2HD2 LEU 18 3.179 -11.623 -10.891 129 H ASN 19 H ASN 19 6.467 -10.031 -9.617 130 HA ASN 19 HA ASN 19 8.014 -8.401 -7.817 131 HB2 ASN 19 2HB ASN 19 8.010 -8.377 -10.849 132 HB3 ASN 19 1HB ASN 19 9.256 -7.715 -9.800 133 HD21 ASN 19 1HD2 ASN 19 9.449 -9.737 -11.878 134 HD22 ASN 19 2HD2 ASN 19 10.096 -11.143 -11.112 135 H VAL 20 H VAL 20 8.370 -6.007 -8.247 136 HA VAL 20 HA VAL 20 5.980 -4.529 -8.223 137 HB VAL 20 HB VAL 20 8.734 -3.513 -8.984 138 HG11 VAL 20 1HG1 VAL 20 6.309 -2.018 -7.965 139 HG12 VAL 20 2HG1 VAL 20 6.967 -1.942 -9.600 140 HG13 VAL 20 3HG1 VAL 20 7.905 -1.319 -8.243 141 HG21 VAL 20 3HG2 VAL 20 8.738 -4.640 -6.803 142 HG22 VAL 20 1HG2 VAL 20 7.402 -3.619 -6.269 143 HG23 VAL 20 2HG2 VAL 20 8.974 -2.903 -6.624 144 H THR 21 H THR 21 8.207 -5.270 -10.906 145 HA THR 21 HA THR 21 6.869 -3.905 -12.961 146 HB THR 21 HB THR 21 8.314 -6.570 -13.163 147 HG1 THR 21 HG1 THR 21 9.769 -4.600 -14.149 148 HG21 THR 21 3HG2 THR 21 7.657 -4.546 -15.315 149 HG22 THR 21 1HG2 THR 21 6.913 -6.138 -15.131 150 HG23 THR 21 2HG2 THR 21 8.626 -6.005 -15.530 151 H GLU 22 H GLU 22 6.291 -7.133 -11.590 152 HA GLU 22 HA GLU 22 4.164 -7.804 -13.354 153 HB2 GLU 22 2HB GLU 22 4.939 -8.894 -10.647 154 HB3 GLU 22 1HB GLU 22 3.644 -9.566 -11.627 155 HG2 GLU 22 2HG GLU 22 6.473 -9.310 -12.626 156 HG3 GLU 22 1HG GLU 22 5.886 -10.728 -11.761 157 H LEU 23 H LEU 23 4.272 -5.986 -10.337 158 HA LEU 23 HA LEU 23 1.484 -5.847 -9.892 159 HB2 LEU 23 2HB LEU 23 3.653 -3.820 -9.311 160 HB3 LEU 23 1HB LEU 23 1.986 -3.626 -8.805 161 HG LEU 23 HG LEU 23 3.954 -5.712 -7.859 162 HD11 LEU 23 1HD1 LEU 23 4.222 -3.527 -6.836 163 HD12 LEU 23 2HD1 LEU 23 3.545 -4.661 -5.669 164 HD13 LEU 23 3HD1 LEU 23 2.502 -3.472 -6.447 165 HD21 LEU 23 3HD2 LEU 23 1.002 -5.479 -7.248 166 HD22 LEU 23 1HD2 LEU 23 2.135 -6.539 -6.407 167 HD23 LEU 23 2HD2 LEU 23 1.797 -6.792 -8.118 168 H LEU 24 H LEU 24 3.667 -3.890 -11.900 169 HA LEU 24 HA LEU 24 1.772 -2.112 -12.962 170 HB2 LEU 24 2HB LEU 24 4.195 -3.277 -14.352 171 HB3 LEU 24 1HB LEU 24 3.335 -1.826 -14.833 172 HG LEU 24 HG LEU 24 4.886 -2.173 -12.255 173 HD11 LEU 24 1HD1 LEU 24 6.356 -2.049 -14.192 174 HD12 LEU 24 2HD1 LEU 24 6.459 -0.572 -13.236 175 HD13 LEU 24 3HD1 LEU 24 5.536 -0.586 -14.739 176 HD21 LEU 24 3HD2 LEU 24 4.512 0.234 -11.953 177 HD22 LEU 24 1HD2 LEU 24 2.994 -0.662 -11.967 178 HD23 LEU 24 2HD2 LEU 24 3.488 0.254 -13.391 179 H SER 25 H SER 25 2.759 -5.352 -14.013 180 HA SER 25 HA SER 25 1.173 -5.609 -16.304 181 HB2 SER 25 2HB SER 25 1.841 -7.812 -14.329 182 HB3 SER 25 1HB SER 25 1.407 -8.019 -16.025 183 HG SER 25 HG SER 25 3.769 -7.977 -15.261 184 H ALA 26 H ALA 26 0.409 -6.636 -12.966 185 HA ALA 26 HA ALA 26 -2.204 -7.552 -13.522 186 HB1 ALA 26 3HB ALA 26 -1.073 -6.621 -10.882 187 HB2 ALA 26 1HB ALA 26 -0.906 -8.244 -11.554 188 HB3 ALA 26 2HB ALA 26 -2.499 -7.632 -11.113 189 H LEU 27 H LEU 27 -1.103 -4.488 -12.060 190 HA LEU 27 HA LEU 27 -3.748 -3.382 -11.936 191 HB2 LEU 27 2HB LEU 27 -1.046 -2.054 -11.638 192 HB3 LEU 27 1HB LEU 27 -2.586 -1.301 -11.264 193 HG LEU 27 HG LEU 27 -1.404 -3.702 -9.842 194 HD11 LEU 27 1HD1 LEU 27 -1.763 -0.842 -8.932 195 HD12 LEU 27 2HD1 LEU 27 -0.230 -1.625 -9.323 196 HD13 LEU 27 3HD1 LEU 27 -1.175 -2.177 -7.938 197 HD21 LEU 27 3HD2 LEU 27 -3.827 -3.843 -9.888 198 HD22 LEU 27 1HD2 LEU 27 -3.961 -2.174 -9.334 199 HD23 LEU 27 2HD2 LEU 27 -3.283 -3.406 -8.267 200 H LYS 28 H LYS 28 -1.647 -3.838 -14.488 201 HA LYS 28 HA LYS 28 -1.521 -3.092 -16.626 202 HB2 LYS 28 2HB LYS 28 -3.953 -3.756 -16.445 203 HB3 LYS 28 1HB LYS 28 -4.331 -2.061 -16.166 204 HG2 LYS 28 2HG LYS 28 -3.385 -1.503 -18.374 205 HG3 LYS 28 1HG LYS 28 -3.056 -3.216 -18.648 206 HD2 LYS 28 2HD LYS 28 -5.121 -2.582 -19.762 207 HD3 LYS 28 1HD LYS 28 -5.467 -3.694 -18.437 208 HE2 LYS 28 2HE LYS 28 -6.074 -1.765 -17.011 209 HE3 LYS 28 1HE LYS 28 -5.794 -0.688 -18.378 210 HZ1 LYS 28 3HZ LYS 28 -7.839 -2.837 -18.224 211 HZ2 LYS 28 1HZ LYS 28 -7.544 -1.874 -19.589 212 HZ3 LYS 28 2HZ LYS 28 -8.123 -1.172 -18.164 213 H VAL 29 H VAL 29 -0.159 -1.443 -15.080 214 HA VAL 29 HA VAL 29 -1.041 1.311 -15.417 215 HB VAL 29 HB VAL 29 1.558 0.262 -14.270 216 HG11 VAL 29 1HG1 VAL 29 1.767 2.489 -13.251 217 HG12 VAL 29 2HG1 VAL 29 0.306 3.009 -14.089 218 HG13 VAL 29 3HG1 VAL 29 1.746 2.579 -15.012 219 HG21 VAL 29 3HG2 VAL 29 -0.970 1.118 -12.852 220 HG22 VAL 29 1HG2 VAL 29 0.553 0.691 -12.071 221 HG23 VAL 29 2HG2 VAL 29 -0.347 -0.529 -12.974 222 H ALA 30 H ALA 30 -0.621 2.441 -17.218 223 HA ALA 30 HA ALA 30 1.096 1.468 -19.282 224 HB1 ALA 30 3HB ALA 30 -0.921 2.770 -19.766 225 HB2 ALA 30 1HB ALA 30 0.511 3.521 -20.469 226 HB3 ALA 30 2HB ALA 30 -0.200 4.183 -18.996 227 H GLN 31 H GLN 31 1.523 3.707 -16.644 228 HA GLN 31 HA GLN 31 3.932 4.888 -17.730 229 HB2 GLN 31 2HB GLN 31 2.958 5.147 -14.880 230 HB3 GLN 31 1HB GLN 31 4.043 6.219 -15.750 231 HG2 GLN 31 2HG GLN 31 2.052 7.399 -15.713 232 HG3 GLN 31 1HG GLN 31 2.031 6.647 -17.306 233 HE21 GLN 31 1HE2 GLN 31 0.656 6.609 -14.106 234 HE22 GLN 31 2HE2 GLN 31 -0.722 5.644 -14.496 235 H ALA 32 H ALA 32 5.275 3.041 -18.015 236 HA ALA 32 HA ALA 32 6.306 1.783 -15.557 237 HB1 ALA 32 3HB ALA 32 7.510 0.268 -17.063 238 HB2 ALA 32 1HB ALA 32 6.920 1.176 -18.457 239 HB3 ALA 32 2HB ALA 32 5.784 0.298 -17.430 240 H GLU 33 H GLU 33 6.949 4.296 -17.686 241 HA GLU 33 HA GLU 33 9.775 4.564 -16.890 242 HB2 GLU 33 2HB GLU 33 9.322 4.624 -19.309 243 HB3 GLU 33 1HB GLU 33 8.163 5.922 -19.076 244 HG2 GLU 33 2HG GLU 33 10.124 6.915 -19.915 245 HG3 GLU 33 1HG GLU 33 10.060 7.326 -18.202 246 H TYR 34 H TYR 34 6.745 6.384 -17.202 247 HA TYR 34 HA TYR 34 7.752 8.654 -15.691 248 HB2 TYR 34 2HB TYR 34 4.940 8.189 -16.710 249 HB3 TYR 34 1HB TYR 34 5.687 9.726 -16.289 250 HD1 TYR 34 HD2 TYR 34 7.533 10.633 -17.770 251 HD2 TYR 34 HD1 TYR 34 5.155 7.278 -18.883 252 HE1 TYR 34 HE2 TYR 34 8.218 10.928 -20.118 253 HE2 TYR 34 HE1 TYR 34 5.837 7.563 -21.224 254 HH TYR 34 HH TYR 34 8.408 9.512 -22.184 255 H VAL 35 H VAL 35 7.795 6.454 -14.017 256 HA VAL 35 HA VAL 35 5.365 6.707 -12.351 257 HB VAL 35 HB VAL 35 5.521 4.493 -13.349 258 HG11 VAL 35 1HG1 VAL 35 7.913 4.367 -13.714 259 HG12 VAL 35 2HG1 VAL 35 7.369 2.966 -12.795 260 HG13 VAL 35 3HG1 VAL 35 8.203 4.288 -11.977 261 HG21 VAL 35 3HG2 VAL 35 5.385 3.127 -11.316 262 HG22 VAL 35 1HG2 VAL 35 4.544 4.665 -11.116 263 HG23 VAL 35 2HG2 VAL 35 6.131 4.427 -10.388 264 H THR 36 H THR 36 5.555 6.752 -10.100 265 HA THR 36 HA THR 36 8.211 6.798 -8.861 266 HB THR 36 HB THR 36 6.246 9.095 -8.625 267 HG1 THR 36 HG1 THR 36 8.342 8.685 -10.249 268 HG21 THR 36 3HG2 THR 36 7.221 8.599 -6.442 269 HG22 THR 36 1HG2 THR 36 7.881 10.104 -7.084 270 HG23 THR 36 2HG2 THR 36 8.841 8.625 -7.142 271 H VAL 37 H VAL 37 8.030 5.318 -7.279 272 HA VAL 37 HA VAL 37 5.804 5.478 -5.372 273 HB VAL 37 HB VAL 37 5.461 3.036 -5.383 274 HG11 VAL 37 1HG1 VAL 37 5.053 4.286 -8.107 275 HG12 VAL 37 2HG1 VAL 37 3.966 4.426 -6.724 276 HG13 VAL 37 3HG1 VAL 37 4.219 2.858 -7.492 277 HG21 VAL 37 3HG2 VAL 37 6.370 1.652 -7.203 278 HG22 VAL 37 1HG2 VAL 37 7.652 2.338 -6.204 279 HG23 VAL 37 2HG2 VAL 37 7.300 3.033 -7.788 280 H GLU 38 H GLU 38 6.242 4.344 -3.330 281 HA GLU 38 HA GLU 38 9.006 3.398 -3.008 282 HB2 GLU 38 2HB GLU 38 9.215 4.438 -0.810 283 HB3 GLU 38 1HB GLU 38 8.980 5.646 -2.060 284 HG2 GLU 38 2HG GLU 38 6.526 4.738 -0.695 285 HG3 GLU 38 1HG GLU 38 7.676 5.617 0.308 286 H LEU 39 H LEU 39 9.328 1.795 -1.486 287 HA LEU 39 HA LEU 39 6.896 0.344 -0.679 288 HB2 LEU 39 2HB LEU 39 8.428 -0.721 -2.343 289 HB3 LEU 39 1HB LEU 39 9.701 -0.701 -1.145 290 HG LEU 39 HG LEU 39 8.359 -2.889 -1.588 291 HD11 LEU 39 1HD1 LEU 39 10.036 -2.791 0.105 292 HD12 LEU 39 2HD1 LEU 39 8.605 -3.544 0.804 293 HD13 LEU 39 3HD1 LEU 39 8.989 -1.863 1.172 294 HD21 LEU 39 3HD2 LEU 39 6.404 -3.165 -0.147 295 HD22 LEU 39 1HD2 LEU 39 6.139 -1.917 -1.363 296 HD23 LEU 39 2HD2 LEU 39 6.488 -1.462 0.304 297 H ASN 40 H ASN 40 6.443 0.814 1.411 298 HA ASN 40 HA ASN 40 6.665 1.264 3.641 299 HB2 ASN 40 2HB ASN 40 8.955 -0.672 3.252 300 HB3 ASN 40 1HB ASN 40 8.520 -0.039 4.834 301 HD21 ASN 40 1HD2 ASN 40 7.479 -2.040 2.184 302 HD22 ASN 40 2HD2 ASN 40 6.265 -2.894 3.050 303 H GLY 41 H GLY 41 7.804 3.208 1.908 304 HA2 GLY 41 2HA GLY 41 8.951 5.211 2.372 305 HA3 GLY 41 1HA GLY 41 9.792 4.411 3.687 306 H GLU 42 H GLU 42 10.369 2.175 1.592 307 HA GLU 42 HA GLU 42 12.920 3.266 0.732 308 HB2 GLU 42 2HB GLU 42 12.769 0.988 1.667 309 HB3 GLU 42 1HB GLU 42 11.712 0.512 0.347 310 HG2 GLU 42 2HG GLU 42 13.835 -0.327 -0.199 311 HG3 GLU 42 1HG GLU 42 13.613 1.089 -1.224 312 H VAL 43 H VAL 43 12.696 4.643 -1.006 313 HA VAL 43 HA VAL 43 10.799 4.336 -3.079 314 HB VAL 43 HB VAL 43 11.911 6.489 -2.582 315 HG11 VAL 43 1HG1 VAL 43 14.167 6.950 -3.398 316 HG12 VAL 43 2HG1 VAL 43 14.339 5.269 -3.903 317 HG13 VAL 43 3HG1 VAL 43 14.179 5.664 -2.190 318 HG21 VAL 43 3HG2 VAL 43 10.792 6.171 -4.735 319 HG22 VAL 43 1HG2 VAL 43 12.292 5.564 -5.437 320 HG23 VAL 43 2HG2 VAL 43 12.184 7.242 -4.897 321 H LEU 44 H LEU 44 10.901 3.429 -5.130 322 HA LEU 44 HA LEU 44 13.061 1.467 -5.510 323 HB2 LEU 44 2HB LEU 44 10.351 1.662 -6.838 324 HB3 LEU 44 1HB LEU 44 11.545 0.430 -7.187 325 HG LEU 44 HG LEU 44 9.952 -0.590 -5.776 326 HD11 LEU 44 1HD1 LEU 44 12.244 -1.138 -5.178 327 HD12 LEU 44 2HD1 LEU 44 11.205 -1.149 -3.753 328 HD13 LEU 44 3HD1 LEU 44 12.289 0.210 -4.042 329 HD21 LEU 44 3HD2 LEU 44 8.858 1.448 -4.969 330 HD22 LEU 44 1HD2 LEU 44 10.213 1.745 -3.883 331 HD23 LEU 44 2HD2 LEU 44 9.195 0.325 -3.656 332 H GLU 45 H GLU 45 14.466 1.565 -7.183 333 HA GLU 45 HA GLU 45 14.433 3.786 -9.011 334 HB2 GLU 45 2HB GLU 45 16.163 1.299 -8.958 335 HB3 GLU 45 1HB GLU 45 16.380 2.629 -10.086 336 HG2 GLU 45 2HG GLU 45 17.976 2.967 -8.407 337 HG3 GLU 45 1HG GLU 45 16.692 4.121 -8.062 338 H ARG 46 H ARG 46 14.028 3.758 -11.213 339 HA ARG 46 HA ARG 46 11.975 2.226 -12.255 340 HB2 ARG 46 2HB ARG 46 12.690 3.082 -14.466 341 HB3 ARG 46 1HB ARG 46 12.672 4.341 -13.237 342 HG2 ARG 46 2HG ARG 46 15.117 4.088 -12.981 343 HG3 ARG 46 1HG ARG 46 15.105 2.900 -14.284 344 HD2 ARG 46 2HD ARG 46 14.314 5.808 -14.489 345 HD3 ARG 46 1HD ARG 46 15.775 5.071 -15.138 346 HE ARG 46 HE ARG 46 13.196 5.103 -16.337 347 HH11 ARG 46 1HH1 ARG 46 16.035 3.179 -16.043 348 HH12 ARG 46 2HH1 ARG 46 15.774 2.367 -17.544 349 HH21 ARG 46 1HH2 ARG 46 12.899 4.112 -18.278 350 HH22 ARG 46 2HH2 ARG 46 14.017 2.902 -18.810 351 H GLU 47 H GLU 47 15.288 1.378 -11.918 352 HA GLU 47 HA GLU 47 15.327 -0.678 -13.958 353 HB2 GLU 47 2HB GLU 47 17.349 -0.030 -11.800 354 HB3 GLU 47 1HB GLU 47 17.619 -1.066 -13.196 355 HG2 GLU 47 2HG GLU 47 17.468 0.789 -14.693 356 HG3 GLU 47 1HG GLU 47 16.939 1.862 -13.394 357 H ALA 48 H ALA 48 14.647 -0.519 -10.533 358 HA ALA 48 HA ALA 48 15.359 -3.338 -10.134 359 HB1 ALA 48 3HB ALA 48 15.264 -2.855 -7.762 360 HB2 ALA 48 1HB ALA 48 14.651 -1.236 -8.097 361 HB3 ALA 48 2HB ALA 48 16.285 -1.680 -8.591 362 H PHE 49 H PHE 49 12.669 -2.065 -11.274 363 HA PHE 49 HA PHE 49 10.616 -2.736 -9.492 364 HB2 PHE 49 2HB PHE 49 10.616 -2.606 -12.511 365 HB3 PHE 49 1HB PHE 49 9.159 -2.868 -11.558 366 HD1 PHE 49 HD2 PHE 49 10.035 -0.964 -9.259 367 HD2 PHE 49 HD1 PHE 49 9.880 -0.553 -13.500 368 HE1 PHE 49 HE2 PHE 49 9.753 1.465 -9.011 369 HE2 PHE 49 HE1 PHE 49 9.592 1.876 -13.252 370 HZ PHE 49 HZ PHE 49 9.528 2.888 -11.008 371 H ASP 50 H ASP 50 11.980 -4.729 -12.139 372 HA ASP 50 HA ASP 50 10.391 -7.015 -11.426 373 HB2 ASP 50 2HB ASP 50 11.211 -6.573 -13.738 374 HB3 ASP 50 1HB ASP 50 12.854 -6.891 -13.190 375 H ALA 51 H ALA 51 13.458 -5.764 -10.421 376 HA ALA 51 HA ALA 51 14.485 -8.229 -9.348 377 HB1 ALA 51 3HB ALA 51 15.997 -6.467 -10.095 378 HB2 ALA 51 1HB ALA 51 16.251 -6.833 -8.388 379 HB3 ALA 51 2HB ALA 51 15.363 -5.382 -8.858 380 H THR 52 H THR 52 12.219 -5.912 -8.237 381 HA THR 52 HA THR 52 12.609 -6.692 -5.417 382 HB THR 52 HB THR 52 10.900 -4.449 -6.531 383 HG1 THR 52 HG1 THR 52 13.165 -4.083 -6.806 384 HG21 THR 52 3HG2 THR 52 11.724 -5.109 -3.694 385 HG22 THR 52 1HG2 THR 52 10.096 -5.233 -4.361 386 HG23 THR 52 2HG2 THR 52 10.862 -3.653 -4.189 387 H THR 53 H THR 53 11.314 -8.207 -4.594 388 HA THR 53 HA THR 53 8.895 -9.016 -6.006 389 HB THR 53 HB THR 53 8.835 -10.881 -4.326 390 HG1 THR 53 HG1 THR 53 10.254 -10.939 -2.731 391 HG21 THR 53 3HG2 THR 53 9.904 -11.186 -6.507 392 HG22 THR 53 1HG2 THR 53 10.756 -12.089 -5.252 393 HG23 THR 53 2HG2 THR 53 11.425 -10.572 -5.855 394 H VAL 54 H VAL 54 6.863 -9.206 -5.044 395 HA VAL 54 HA VAL 54 6.383 -7.438 -2.726 396 HB VAL 54 HB VAL 54 4.500 -8.043 -5.022 397 HG11 VAL 54 1HG1 VAL 54 3.140 -6.217 -4.115 398 HG12 VAL 54 2HG1 VAL 54 4.269 -6.040 -2.771 399 HG13 VAL 54 3HG1 VAL 54 3.329 -7.524 -2.943 400 HG21 VAL 54 3HG2 VAL 54 6.429 -6.731 -5.767 401 HG22 VAL 54 1HG2 VAL 54 6.122 -5.547 -4.496 402 HG23 VAL 54 2HG2 VAL 54 4.949 -5.772 -5.794 403 H LYS 55 H LYS 55 4.946 -8.136 -1.124 404 HA LYS 55 HA LYS 55 3.883 -10.869 -1.340 405 HB2 LYS 55 2HB LYS 55 4.751 -11.312 0.994 406 HB3 LYS 55 1HB LYS 55 5.972 -11.239 -0.270 407 HG2 LYS 55 2HG LYS 55 6.524 -8.941 0.394 408 HG3 LYS 55 1HG LYS 55 5.312 -9.025 1.676 409 HD2 LYS 55 2HD LYS 55 6.540 -10.790 2.785 410 HD3 LYS 55 1HD LYS 55 7.695 -10.877 1.453 411 HE2 LYS 55 2HE LYS 55 7.271 -8.456 3.213 412 HE3 LYS 55 1HE LYS 55 8.560 -9.640 3.422 413 HZ1 LYS 55 3HZ LYS 55 8.160 -7.993 0.984 414 HZ2 LYS 55 1HZ LYS 55 9.439 -9.057 1.274 415 HZ3 LYS 55 2HZ LYS 55 9.280 -7.652 2.203 416 H ASP 56 H ASP 56 2.629 -11.378 0.838 417 HA ASP 56 HA ASP 56 0.444 -9.550 0.881 418 HB2 ASP 56 2HB ASP 56 0.198 -11.994 1.130 419 HB3 ASP 56 1HB ASP 56 1.012 -11.909 2.688 420 H GLY 57 H GLY 57 -0.324 -8.234 2.524 421 HA2 GLY 57 2HA GLY 57 -0.268 -6.832 4.338 422 HA3 GLY 57 1HA GLY 57 0.803 -7.994 5.107 423 H ASP 58 H ASP 58 1.532 -6.370 2.069 424 HA ASP 58 HA ASP 58 3.842 -5.116 3.412 425 HB2 ASP 58 2HB ASP 58 4.230 -6.918 1.663 426 HB3 ASP 58 1HB ASP 58 3.595 -5.784 0.474 427 H ALA 59 H ALA 59 4.376 -2.959 2.966 428 HA ALA 59 HA ALA 59 2.059 -1.364 2.181 429 HB1 ALA 59 3HB ALA 59 3.146 0.482 3.297 430 HB2 ALA 59 1HB ALA 59 4.615 -0.473 3.503 431 HB3 ALA 59 2HB ALA 59 3.137 -0.937 4.344 432 H VAL 60 H VAL 60 2.249 -1.649 -0.126 433 HA VAL 60 HA VAL 60 4.470 -0.314 -1.455 434 HB VAL 60 HB VAL 60 3.584 -2.259 -2.585 435 HG11 VAL 60 1HG1 VAL 60 1.307 -2.377 -3.461 436 HG12 VAL 60 2HG1 VAL 60 0.930 -0.824 -2.713 437 HG13 VAL 60 3HG1 VAL 60 1.303 -2.221 -1.704 438 HG21 VAL 60 3HG2 VAL 60 4.432 -0.453 -4.002 439 HG22 VAL 60 1HG2 VAL 60 2.819 0.254 -4.086 440 HG23 VAL 60 2HG2 VAL 60 3.130 -1.326 -4.807 441 H GLU 61 H GLU 61 4.513 1.843 -1.412 442 HA GLU 61 HA GLU 61 2.011 3.343 -1.186 443 HB2 GLU 61 2HB GLU 61 4.869 4.284 -0.870 444 HB3 GLU 61 1HB GLU 61 3.420 5.203 -0.473 445 HG2 GLU 61 2HG GLU 61 2.838 3.610 1.260 446 HG3 GLU 61 1HG GLU 61 4.214 2.604 0.822 447 H PHE 62 H PHE 62 1.152 3.538 -3.166 448 HA PHE 62 HA PHE 62 2.789 4.238 -5.468 449 HB2 PHE 62 2HB PHE 62 0.998 2.504 -5.606 450 HB3 PHE 62 1HB PHE 62 -0.200 3.756 -5.299 451 HD1 PHE 62 HD1 PHE 62 -0.572 5.542 -6.979 452 HD2 PHE 62 HD2 PHE 62 1.961 2.207 -7.750 453 HE1 PHE 62 HE1 PHE 62 -0.690 6.012 -9.397 454 HE2 PHE 62 HE2 PHE 62 1.852 2.670 -10.161 455 HZ PHE 62 HZ PHE 62 0.526 4.575 -10.991 456 H LEU 63 H LEU 63 3.203 6.334 -5.905 457 HA LEU 63 HA LEU 63 1.448 8.419 -4.847 458 HB2 LEU 63 2HB LEU 63 4.075 8.689 -6.318 459 HB3 LEU 63 1HB LEU 63 3.228 9.964 -5.458 460 HG LEU 63 HG LEU 63 4.507 7.515 -4.231 461 HD11 LEU 63 1HD1 LEU 63 5.229 10.435 -4.025 462 HD12 LEU 63 2HD1 LEU 63 6.107 9.211 -4.942 463 HD13 LEU 63 3HD1 LEU 63 6.025 9.104 -3.183 464 HD21 LEU 63 3HD2 LEU 63 2.445 8.118 -3.043 465 HD22 LEU 63 1HD2 LEU 63 3.032 9.773 -2.864 466 HD23 LEU 63 2HD2 LEU 63 3.878 8.443 -2.069 467 H TYR 64 H TYR 64 -0.045 9.433 -6.032 468 HA TYR 64 HA TYR 64 -0.317 8.859 -8.856 469 HB2 TYR 64 2HB TYR 64 -1.985 10.459 -6.908 470 HB3 TYR 64 1HB TYR 64 -2.376 10.345 -8.620 471 HD1 TYR 64 HD2 TYR 64 -1.907 8.301 -5.544 472 HD2 TYR 64 HD1 TYR 64 -3.548 8.481 -9.471 473 HE1 TYR 64 HE2 TYR 64 -3.112 6.198 -5.132 474 HE2 TYR 64 HE1 TYR 64 -4.756 6.382 -9.069 475 HH TYR 64 HH TYR 64 -5.186 5.057 -6.018 476 H PHE 65 H PHE 65 1.923 10.626 -7.772 477 HA PHE 65 HA PHE 65 3.212 12.311 -8.584 478 HB2 PHE 65 2HB PHE 65 1.357 12.384 -10.976 479 HB3 PHE 65 1HB PHE 65 3.058 12.840 -10.919 480 HD1 PHE 65 HD1 PHE 65 4.672 10.877 -10.122 481 HD2 PHE 65 HD2 PHE 65 0.820 10.325 -11.858 482 HE1 PHE 65 HE1 PHE 65 5.293 8.591 -10.773 483 HE2 PHE 65 HE2 PHE 65 1.441 8.037 -12.511 484 HZ PHE 65 HZ PHE 65 3.676 7.167 -11.964 485 H MET 66 H MET 66 0.942 12.968 -6.904 486 HA MET 66 HA MET 66 -0.344 14.681 -6.152 487 HB2 MET 66 2HB MET 66 1.965 15.704 -6.140 488 HB3 MET 66 1HB MET 66 1.569 16.457 -7.678 489 HG2 MET 66 2HG MET 66 0.128 16.921 -5.067 490 HG3 MET 66 1HG MET 66 1.313 18.000 -5.800 491 HE1 MET 66 3HE MET 66 -1.912 20.097 -6.302 492 HE2 MET 66 1HE MET 66 -0.213 20.130 -5.837 493 HE3 MET 66 2HE MET 66 -1.365 19.188 -4.894 494 H GLY 67 H GLY 67 -2.239 14.202 -7.276 495 HA2 GLY 67 2HA GLY 67 -3.152 16.227 -9.096 496 HA3 GLY 67 1HA GLY 67 -2.891 14.691 -9.911 497 H GLY 68 H GLY 68 -3.884 14.505 -6.618 498 HA2 GLY 68 2HA GLY 68 -6.494 13.479 -7.499 499 HA3 GLY 68 1HA GLY 68 -5.731 13.168 -5.948 500 H GLY 69 H GLY 69 -5.135 16.183 -5.823 501 HA2 GLY 69 2HA GLY 69 -6.062 18.002 -4.776 502 HA3 GLY 69 1HA GLY 69 -7.544 17.613 -5.633 503 H LYS 70 H LYS 70 -9.058 16.183 -4.640 504 HA LYS 70 HA LYS 70 -8.692 15.665 -1.762 505 HB2 LYS 70 2HB LYS 70 -11.105 16.957 -3.061 506 HB3 LYS 70 1HB LYS 70 -11.095 16.330 -1.416 507 HG2 LYS 70 2HG LYS 70 -9.328 17.923 -0.819 508 HG3 LYS 70 1HG LYS 70 -9.350 18.557 -2.467 509 HD2 LYS 70 2HD LYS 70 -11.660 19.278 -2.184 510 HD3 LYS 70 1HD LYS 70 -11.702 18.579 -0.564 511 HE2 LYS 70 2HE LYS 70 -9.876 20.816 -1.452 512 HE3 LYS 70 1HE LYS 70 -11.371 21.027 -0.543 513 HZ1 LYS 70 3HZ LYS 70 -9.429 21.064 0.893 514 HZ2 LYS 70 1HZ LYS 70 -8.992 19.510 0.391 515 HZ3 LYS 70 2HZ LYS 70 -10.419 19.744 1.262 516 H LEU 71 H LEU 71 -8.520 13.965 -4.144 517 HA LEU 71 HA LEU 71 -9.014 11.828 -4.736 518 HB2 LEU 71 2HB LEU 71 -10.697 11.805 -2.218 519 HB3 LEU 71 1HB LEU 71 -10.275 10.392 -3.167 520 HG LEU 71 HG LEU 71 -8.316 12.150 -1.672 521 HD11 LEU 71 1HD1 LEU 71 -9.689 10.839 -0.157 522 HD12 LEU 71 2HD1 LEU 71 -8.040 10.213 -0.196 523 HD13 LEU 71 3HD1 LEU 71 -9.324 9.370 -1.066 524 HD21 LEU 71 3HD2 LEU 71 -7.282 11.213 -3.656 525 HD22 LEU 71 1HD2 LEU 71 -7.881 9.605 -3.243 526 HD23 LEU 71 2HD2 LEU 71 -6.675 10.388 -2.220 527 H GLU 72 H GLU 72 -11.221 10.288 -4.846 528 HA GLU 72 HA GLU 72 -13.473 11.934 -5.727 529 HB2 GLU 72 2HB GLU 72 -12.122 11.642 -7.740 530 HB3 GLU 72 1HB GLU 72 -12.100 9.899 -7.499 531 HG2 GLU 72 2HG GLU 72 -14.491 9.779 -7.863 532 HG3 GLU 72 1HG GLU 72 -14.581 11.534 -8.005 533 H HIS 73 H HIS 73 -15.183 11.166 -4.667 534 HA HIS 73 HA HIS 73 -15.551 8.240 -4.537 535 HB2 HIS 73 2HB HIS 73 -16.146 10.215 -2.319 536 HB3 HIS 73 1HB HIS 73 -16.617 8.518 -2.303 537 HD1 HIS 73 HD1 HIS 73 -14.627 6.762 -2.224 538 HD2 HIS 73 HD2 HIS 73 -13.566 10.713 -1.493 539 HE1 HIS 73 HE1 HIS 73 -12.341 6.662 -1.195 540 HE2 HIS 73 HE2 HIS 73 -11.843 9.037 -0.537 541 H HIS 74 H HIS 74 -16.802 8.642 -6.490 542 HA HIS 74 HA HIS 74 -19.410 9.895 -6.130 543 HB2 HIS 74 2HB HIS 74 -18.135 8.483 -8.487 544 HB3 HIS 74 1HB HIS 74 -19.777 9.119 -8.509 545 HD1 HIS 74 HD1 HIS 74 -19.498 10.995 -10.150 546 HD2 HIS 74 HD2 HIS 74 -16.658 11.115 -7.117 547 HE1 HIS 74 HE1 HIS 74 -18.276 13.165 -10.460 548 HE2 HIS 74 HE2 HIS 74 -16.474 13.152 -8.703 549 H HIS 75 H HIS 75 -18.089 6.654 -6.797 550 HA HIS 75 HA HIS 75 -18.798 4.561 -6.254 551 HB2 HIS 75 2HB HIS 75 -19.090 5.712 -4.002 552 HB3 HIS 75 1HB HIS 75 -20.794 5.876 -4.394 553 HD1 HIS 75 HD1 HIS 75 -18.231 3.402 -3.325 554 HD2 HIS 75 HD2 HIS 75 -22.284 3.470 -4.241 555 HE1 HIS 75 HE1 HIS 75 -19.139 1.221 -2.501 556 HE2 HIS 75 HE2 HIS 75 -21.617 1.380 -2.862 557 H HIS 76 H HIS 76 -20.482 3.004 -6.728 558 HA HIS 76 HA HIS 76 -22.123 3.610 -8.892 559 HB2 HIS 76 2HB HIS 76 -22.364 1.354 -6.888 560 HB3 HIS 76 1HB HIS 76 -23.314 1.453 -8.364 561 HD1 HIS 76 HD1 HIS 76 -20.997 2.362 -10.270 562 HD2 HIS 76 HD2 HIS 76 -20.792 -0.787 -7.562 563 HE1 HIS 76 HE1 HIS 76 -19.222 0.828 -11.151 564 HE2 HIS 76 HE2 HIS 76 -19.301 -1.173 -9.640 565 H HIS 77 H HIS 77 -23.512 5.314 -8.693 566 HA HIS 77 HA HIS 77 -25.830 4.890 -6.920 567 HB2 HIS 77 2HB HIS 77 -24.383 7.504 -7.394 568 HB3 HIS 77 1HB HIS 77 -25.989 7.399 -6.684 569 HD1 HIS 77 HD1 HIS 77 -22.722 7.909 -5.623 570 HD2 HIS 77 HD2 HIS 77 -25.746 5.372 -4.326 571 HE1 HIS 77 HE1 HIS 77 -22.139 7.330 -3.255 572 HE2 HIS 77 HE2 HIS 77 -24.085 5.967 -2.433 573 H HIS 78 H HIS 78 -27.808 5.284 -7.811 574 HA HIS 78 HA HIS 78 -28.153 6.828 -10.210 575 HB2 HIS 78 2HB HIS 78 -29.241 4.800 -11.427 576 HB3 HIS 78 1HB HIS 78 -27.490 4.970 -11.453 577 HD1 HIS 78 HD1 HIS 78 -30.144 3.047 -9.528 578 HD2 HIS 78 HD2 HIS 78 -26.150 2.757 -10.616 579 HE1 HIS 78 HE1 HIS 78 -29.423 0.756 -8.814 580 HE2 HIS 78 HE2 HIS 78 -27.080 0.530 -9.694