#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8d s GLN 1147N 0.00 4.54 -0.20 5.56 0.74 -1.26 -4.78 119.66 124.26 3h8d s GLN 1147Ca 0.00 1.32 -0.18 0.00 0.05 0.00 0.00 55.36 56.56 3h8d s GLN 1147Cb 0.00 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 3h8d s GLN 1147CO 0.00 -0.01 0.48 -0.65 -0.55 0.00 0.00 175.29 174.56 3h8d s GLN 1148N 0.91 4.18 0.02 1.67 -1.52 -1.26 -1.82 119.66 121.85 3h8d s GLN 1148Ca 0.49 0.34 0.05 0.00 -1.95 0.00 0.00 55.36 54.30 3h8d s GLN 1148Cb -0.21 -3.55 -0.02 0.00 -0.22 0.00 0.00 33.01 29.01 3h8d s GLN 1148CO 0.26 -0.11 -0.16 1.03 -0.25 0.00 0.00 175.29 176.06 3h8d s ARG 1149N 1.53 1.14 -0.02 2.91 0.52 -0.66 -5.00 118.95 119.37 3h8d s ARG 1149Ca 0.22 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 3h8d s ARG 1149Cb -0.15 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.15 3h8d s ARG 1149CO 0.09 0.30 -0.18 -0.06 0.02 0.00 0.00 175.30 175.47 3h8d s PHE 1150N -0.65 1.66 0.03 -0.53 0.08 -1.26 -0.34 117.98 116.97 3h8d s PHE 1150Ca 0.04 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3h8d s PHE 1150Cb -0.07 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3h8d s PHE 1150CO 0.01 -0.07 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.93 3h8d s PHE 1151N -0.29 0.56 -0.04 0.36 0.40 -0.47 -0.76 117.98 117.73 3h8d s PHE 1151Ca 0.04 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3h8d s PHE 1151Cb -0.08 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.13 3h8d s PHE 1151CO 0.00 -0.07 0.01 0.50 0.70 0.00 0.00 175.22 176.36 3h8d s ARG 1152N -1.17 0.23 -0.27 0.44 3.52 0.12 -1.30 118.95 120.52 3h8d s ARG 1152Ca -0.07 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.70 3h8d s ARG 1152Cb -0.08 -0.52 0.07 0.00 -1.56 0.00 0.00 34.95 32.85 3h8d s ARG 1152CO 0.00 -0.20 -0.08 0.42 -0.81 0.00 0.00 175.30 174.63 3h8d s ILE 1153N 1.36 2.10 0.63 4.11 1.01 0.97 -4.49 121.20 126.89 3h8d s ILE 1153Ca -0.05 -1.68 -0.18 0.00 0.00 0.00 0.00 60.65 58.74 3h8d s ILE 1153Cb -0.13 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3h8d s ILE 1153CO -0.03 -0.12 1.22 -2.84 0.00 0.00 0.00 174.94 173.18 3h8d s PRO 1154N 1.11 2.71 0.19 2.79 0.02 -1.26 -1.09 135.00 139.47 3h8d s PRO 1154Ca -0.06 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 3h8d s PRO 1154Cb -0.20 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3h8d s PRO 1154CO -0.06 -1.42 0.38 -0.59 -0.33 0.00 0.00 177.00 174.99 3h8d s PHE 1155N -1.66 0.28 0.15 6.54 -0.71 -0.00 -4.89 117.98 117.69 3h8d s PHE 1155Ca 0.78 -0.63 0.07 0.00 -1.04 0.00 0.00 56.93 56.10 3h8d s PHE 1155Cb -0.31 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 3h8d s PHE 1155CO 0.37 -0.83 -0.15 0.96 -1.34 0.00 0.00 175.22 174.24 3h8d s ILE 1156N -3.96 1.52 0.38 -4.49 -4.36 -1.26 -0.37 121.20 108.66 3h8d s ILE 1156Ca 0.17 -1.90 -0.26 0.00 -0.26 0.00 0.00 60.65 58.40 3h8d s ILE 1156Cb 0.01 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.90 3h8d s ILE 1156CO 0.01 -0.46 1.23 -0.13 0.24 0.00 0.00 174.94 175.84 3h8d s ARG 1157N -3.00 4.10 0.41 0.37 0.52 -1.26 -4.94 118.95 115.16 3h8d s ARG 1157Ca 0.14 2.00 0.19 0.00 -0.52 0.00 0.00 55.73 57.54 3h8d s ARG 1157Cb -0.04 -2.79 1.11 0.00 0.52 0.00 0.00 34.95 33.76 3h8d s ARG 1157CO 0.04 -0.33 1.81 -1.35 0.02 0.00 0.00 175.30 175.50 3h8d h PRO 1158N 2.83 0.37 -0.26 3.54 0.11 -2.01 -0.60 132.00 135.98 3h8d h PRO 1158Ca -0.49 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.68 3h8d h PRO 1158Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3h8d h PRO 1158CO 0.63 0.25 0.34 0.00 -0.21 0.00 0.00 178.00 179.00 3h8d h ALA 1159N 1.60 1.87 -0.14 -0.75 0.00 -2.04 -1.63 119.26 118.18 3h8d h ALA 1159Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3h8d h ALA 1159Cb 1.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3h8d h ALA 1159CO -0.23 -0.47 0.00 -0.25 0.00 0.00 0.00 179.25 178.30 3h8d n ASP 1160N -3.61 2.90 -0.13 0.00 9.92 -0.23 -4.65 116.55 120.75 3h8d n ASP 1160Ca 0.04 -1.93 0.12 0.00 -0.53 0.00 0.00 54.79 52.48 3h8d n ASP 1160Cb 0.47 -0.08 0.47 0.00 -0.64 0.00 0.00 41.12 41.34 3h8d n ASP 1160CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 3h8d h GLN 1161N 4.27 0.48 -0.21 -1.24 4.15 -1.35 -2.52 115.11 118.69 3h8d h GLN 1161Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3h8d h GLN 1161Cb 0.92 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3h8d h GLN 1161CO 0.00 0.32 0.00 0.66 -1.93 0.00 0.00 178.83 177.88 3h8d n TYR 1162N -4.48 0.53 -2.43 3.99 4.01 -1.26 -5.01 117.16 112.50 3h8d n TYR 1162Ca 0.11 -0.74 -0.27 0.00 -0.16 0.00 0.00 57.90 56.84 3h8d n TYR 1162Cb 0.38 -0.17 0.02 0.00 -0.31 0.00 0.00 39.34 39.26 3h8d n TYR 1162CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3h8d s LYS 1163N -2.07 3.18 0.39 -0.72 1.02 -0.95 -5.04 119.74 115.56 3h8d s LYS 1163Ca 0.30 0.13 -0.27 0.00 0.02 0.00 0.00 55.97 56.15 3h8d s LYS 1163Cb 0.22 -2.29 -0.11 0.00 -0.52 0.00 0.00 37.83 35.14 3h8d s LYS 1163CO 0.09 -0.53 1.33 -0.25 -0.92 0.00 0.00 175.35 175.07 3h8d n ASP 1164N -2.49 2.90 -0.43 2.83 8.00 -1.26 -4.80 116.55 121.29 3h8d n ASP 1164Ca 0.03 1.16 0.36 0.00 0.71 0.00 0.00 54.79 57.05 3h8d n ASP 1164Cb 0.56 -1.53 0.65 0.00 -0.02 0.00 0.00 41.12 40.79 3h8d n ASP 1164CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3h8d h PRO 1165N 2.38 0.13 0.00 -0.24 0.11 -1.96 0.15 132.00 132.57 3h8d h PRO 1165Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3h8d h PRO 1165Cb 1.28 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3h8d h PRO 1165CO 0.61 0.08 -0.52 -0.56 -0.21 0.00 0.00 178.00 177.41 3h8d h GLN 1166N 0.13 0.00 -0.25 1.05 3.07 -2.02 -3.22 115.11 113.86 3h8d h GLN 1166Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.50 3h8d h GLN 1166Cb 2.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.01 3h8d h GLN 1166CO -0.31 0.52 0.00 0.09 0.09 0.00 0.00 178.83 179.22 3h8d n ASN 1167N -3.70 2.83 -4.59 0.06 3.02 0.50 -4.82 115.26 108.56 3h8d n ASN 1167Ca -0.01 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 3h8d n ASN 1167Cb 0.57 -0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 3h8d n ASN 1167CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3h8d s LYS 1168N -1.68 3.77 -0.59 3.52 1.02 -1.02 -4.90 119.74 119.87 3h8d s LYS 1168Ca 0.35 0.44 -0.22 0.00 0.02 0.00 0.00 55.97 56.56 3h8d s LYS 1168Cb 0.21 -3.82 0.06 0.00 -0.52 0.00 0.00 37.83 33.76 3h8d s LYS 1168CO 0.30 -0.95 0.87 0.15 -0.92 0.00 0.00 175.35 174.81 3h8d s LYS 1169N 3.38 3.19 0.39 1.68 1.02 -1.26 -5.03 119.74 123.11 3h8d s LYS 1169Ca 0.36 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.44 3h8d s LYS 1169Cb -0.12 -4.14 -0.09 0.00 -0.52 0.00 0.00 37.83 32.96 3h8d s LYS 1169CO 0.19 -1.56 1.05 0.15 -0.92 0.00 0.00 175.35 174.25 3h8d s LYS 1170N 3.65 4.19 0.47 1.68 1.02 -1.26 -4.53 119.74 124.97 3h8d s LYS 1170Ca 0.23 1.51 0.04 0.00 0.02 0.00 0.00 55.97 57.77 3h8d s LYS 1170Cb -0.16 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 3h8d s LYS 1170CO 0.14 -0.12 0.09 0.20 -0.92 0.00 0.00 175.35 174.74 3h8d s GLY 1171N -1.55 2.70 -0.02 -3.33 0.00 0.50 -4.25 107.32 101.37 3h8d s GLY 1171Ca 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 44.03 3h8d s GLY 1171CO 0.28 -2.09 0.01 -0.98 0.00 0.00 0.00 173.10 170.31 3h8d s TRP 1172N -2.78 0.15 -0.10 1.90 0.51 0.25 -0.82 118.94 118.04 3h8d s TRP 1172Ca 0.23 0.04 -0.01 0.00 -2.12 0.00 0.00 56.10 54.23 3h8d s TRP 1172Cb 0.04 -0.24 -0.03 0.00 -0.81 0.00 0.00 33.47 32.43 3h8d s TRP 1172CO 0.12 -0.07 -0.04 -0.46 -0.51 0.00 0.00 176.95 175.99 3h8d s TRP 1173N 0.70 3.03 0.02 -1.98 -0.00 -0.25 0.22 118.94 120.69 3h8d s TRP 1173Ca -0.06 -0.03 0.03 0.00 -0.00 0.00 0.00 56.10 56.03 3h8d s TRP 1173Cb -0.09 -1.82 -0.02 0.00 -0.00 0.00 0.00 33.47 31.55 3h8d s TRP 1173CO -0.02 0.25 -0.09 0.71 -0.00 0.00 0.00 176.95 177.80 3h8d s TYR 1174N -0.44 0.82 -0.02 5.86 2.02 0.10 -0.02 117.35 125.68 3h8d s TYR 1174Ca 0.07 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 3h8d s TYR 1174Cb -0.12 -0.50 -0.00 0.00 -0.40 0.00 0.00 41.96 40.93 3h8d s TYR 1174CO 0.02 -0.02 -0.10 0.00 -1.57 0.00 0.00 175.55 173.88 3h8d s ALA 1175N -0.72 0.93 -0.30 3.71 0.00 -0.42 -1.44 121.76 123.52 3h8d s ALA 1175Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3h8d s ALA 1175Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3h8d s ALA 1175CO 0.00 0.18 0.11 -1.58 0.00 0.00 0.00 175.76 174.47 3h8d s HIS 1176N -0.00 3.16 -0.24 0.00 2.46 0.00 -1.37 115.29 119.30 3h8d s HIS 1176Ca -0.00 -0.83 -0.10 0.00 0.47 0.00 0.00 55.06 54.60 3h8d s HIS 1176Cb -0.07 -2.29 -0.05 0.00 -0.13 0.00 0.00 32.58 30.04 3h8d s HIS 1176CO 0.00 -0.53 0.15 -0.06 -2.47 0.00 0.00 174.74 171.83 3h8d s PHE 1177N 1.54 3.29 -0.76 3.88 0.40 0.54 -0.37 117.98 126.49 3h8d s PHE 1177Ca 0.03 0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.36 3h8d s PHE 1177Cb -0.17 -2.26 0.17 0.00 0.51 0.00 0.00 43.02 41.27 3h8d s PHE 1177CO 0.04 0.03 0.79 0.34 0.70 0.00 0.00 175.22 177.12 3h8d s ASP 1178N 1.08 6.54 1.21 1.36 2.15 0.24 -1.65 116.67 127.61 3h8d s ASP 1178Ca 0.07 -2.19 0.00 0.00 0.43 0.00 0.00 52.55 50.86 3h8d s ASP 1178Cb -0.14 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 3h8d s ASP 1178CO 0.05 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 3h8d n GLY 1179N 4.72 2.53 0.00 2.66 0.00 -0.75 -2.62 105.19 111.73 3h8d n GLY 1179Ca 0.08 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3h8d n GLY 1179CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h8d n PRO 1180N 13.49 0.05 -3.87 1.61 -0.04 -1.26 -4.81 135.00 140.17 3h8d n PRO 1180Ca 0.00 0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.16 3h8d n PRO 1180Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 3h8d n PRO 1180CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3h8d s TRP 1181N -2.94 3.55 0.10 0.54 0.52 -1.08 -0.97 118.94 118.66 3h8d s TRP 1181Ca 0.14 0.48 -0.31 0.00 0.02 0.00 0.00 56.10 56.43 3h8d s TRP 1181Cb 0.16 -1.98 -0.07 0.00 -1.15 0.00 0.00 33.47 30.43 3h8d s TRP 1181CO 0.45 0.64 1.32 -1.50 0.02 0.00 0.00 176.95 177.87 3h8d s ILE 1182N -0.75 3.56 -0.20 2.03 2.07 -1.26 0.82 121.20 127.47 3h8d s ILE 1182Ca 0.13 1.13 -0.03 0.00 -1.41 0.00 0.00 60.65 60.47 3h8d s ILE 1182Cb -0.12 -3.72 -0.11 0.00 0.13 0.00 0.00 42.46 38.64 3h8d s ILE 1182CO 0.03 0.09 -0.21 0.00 -1.91 0.00 0.00 174.94 172.94 3h8d n ALA 1183N 3.85 1.62 -2.84 1.50 0.00 0.50 -4.66 120.51 120.49 3h8d n ALA 1183Ca 0.10 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 3h8d n ALA 1183Cb 0.44 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 3h8d n ALA 1183CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h8d s ARG 1184N -2.38 0.28 -0.02 0.00 0.52 -1.06 -0.49 118.95 115.80 3h8d s ARG 1184Ca -0.27 -0.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 3h8d s ARG 1184Cb 0.08 -0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 3h8d s ARG 1184CO 0.41 0.05 -0.14 -1.14 0.02 0.00 0.00 175.30 174.50 3h8d s GLN 1185N -0.46 1.19 -0.02 3.54 0.74 -0.01 -0.82 119.66 123.82 3h8d s GLN 1185Ca -0.03 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 3h8d s GLN 1185Cb -0.03 -1.12 0.02 0.00 1.10 0.00 0.00 33.01 32.97 3h8d s GLN 1185CO -0.00 0.27 0.05 1.41 -0.55 0.00 0.00 175.29 176.47 3h8d s MET 1186N -0.21 0.01 -0.14 1.67 -2.45 -0.52 -0.38 119.30 117.28 3h8d s MET 1186Ca 0.03 0.17 -0.01 0.00 -1.25 0.00 0.00 55.69 54.63 3h8d s MET 1186Cb -0.07 -0.13 0.04 0.00 1.25 0.00 0.00 34.83 35.92 3h8d s MET 1186CO -0.00 -0.11 -0.04 -1.21 1.05 0.00 0.00 175.02 174.71 3h8d s GLU 1187N 0.68 1.22 -0.38 4.11 2.02 -0.11 0.00 118.70 126.24 3h8d s GLU 1187Ca -0.06 -0.32 -0.16 0.00 0.02 0.00 0.00 54.97 54.46 3h8d s GLU 1187Cb -0.08 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.45 3h8d s GLU 1187CO -0.02 -0.39 0.38 -1.17 0.02 0.00 0.00 175.26 174.09 3h8d s LEU 1188N 1.74 4.69 -0.04 1.80 2.96 0.13 -1.40 118.68 128.57 3h8d s LEU 1188Ca 0.03 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3h8d s LEU 1188Cb -0.14 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3h8d s LEU 1188CO -0.07 -0.45 0.11 -1.00 -1.32 0.00 0.00 176.35 173.61 3h8d s HIS 1189N 2.02 3.40 -0.13 5.38 3.76 -1.26 -0.59 115.29 127.88 3h8d s HIS 1189Ca 0.11 0.31 0.30 0.00 -0.15 0.00 0.00 55.06 55.63 3h8d s HIS 1189Cb -0.17 -1.81 1.18 0.00 1.11 0.00 0.00 32.58 32.89 3h8d s HIS 1189CO 0.12 0.60 1.88 -1.00 -0.85 0.00 0.00 174.74 175.49 3h8d h PRO 1190N 4.34 0.00 0.00 8.40 0.13 -1.86 -3.36 132.00 139.64 3h8d h PRO 1190Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3h8d h PRO 1190Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3h8d h PRO 1190CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 3h8d n ASP 1191N -2.82 0.19 -4.04 1.44 5.75 -1.26 -5.08 116.55 110.73 3h8d n ASP 1191Ca 0.01 -1.04 -0.10 0.00 -0.01 0.00 0.00 54.79 53.65 3h8d n ASP 1191Cb 0.30 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 3h8d n ASP 1191CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3h8d s LYS 1192N -0.04 1.27 0.77 0.11 -2.85 -1.26 -5.15 119.74 112.58 3h8d s LYS 1192Ca 0.00 -1.32 -0.14 0.00 -1.00 0.00 0.00 55.97 53.50 3h8d s LYS 1192Cb 0.00 0.37 0.06 0.00 -2.06 0.00 0.00 37.83 36.20 3h8d s LYS 1192CO 0.00 -0.47 1.23 -2.14 0.10 0.00 0.00 175.35 174.07 3h8d s PRO 1193N -4.03 1.83 0.67 1.78 0.02 -1.26 -4.38 135.00 129.62 3h8d s PRO 1193Ca 0.24 1.84 -0.17 0.00 0.02 0.00 0.00 61.00 62.93 3h8d s PRO 1193Cb 0.03 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.76 3h8d s PRO 1193CO 0.06 -2.09 1.17 -2.30 -0.33 0.00 0.00 177.00 173.50 3h8d n PRO 1194N -2.99 0.89 -3.88 5.54 -0.02 -1.26 -4.64 135.00 128.64 3h8d n PRO 1194Ca 0.14 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 3h8d n PRO 1194Cb 0.50 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3h8d n PRO 1194CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h8d s ILE 1195N -1.54 3.52 -0.10 4.25 1.01 -0.49 -4.99 121.20 122.85 3h8d s ILE 1195Ca 0.79 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3h8d s ILE 1195Cb -0.37 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3h8d s ILE 1195CO 0.44 0.38 -0.11 -0.76 0.00 0.00 0.00 174.94 174.90 3h8d s LEU 1196N 1.49 2.89 -0.04 2.97 1.43 -1.26 -0.93 118.68 125.23 3h8d s LEU 1196Ca 0.06 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3h8d s LEU 1196Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3h8d s LEU 1196CO -0.02 0.25 -0.03 -0.76 0.23 0.00 0.00 176.35 176.03 3h8d s LEU 1197N -0.17 1.29 -0.04 1.79 1.43 0.49 -5.01 118.68 118.46 3h8d s LEU 1197Ca 0.01 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 3h8d s LEU 1197Cb -0.13 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.71 3h8d s LEU 1197CO 0.03 -0.07 -0.20 0.68 0.23 0.00 0.00 176.35 177.02 3h8d s VAL 1198N 0.92 2.58 0.38 -1.59 -7.23 -1.26 -0.83 120.40 113.36 3h8d s VAL 1198Ca -0.11 -0.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.88 3h8d s VAL 1198Cb -0.14 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.75 3h8d s VAL 1198CO -0.00 0.59 1.32 0.00 -0.31 0.00 0.00 175.10 176.69 3h8d s ALA 1199N -0.67 3.37 0.00 1.32 0.00 0.35 -1.09 121.76 125.05 3h8d s ALA 1199Ca 0.11 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3h8d s ALA 1199Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3h8d s ALA 1199CO -0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3h8d n GLY 1200N 0.70 2.50 0.12 0.00 0.00 -1.26 -4.74 105.19 102.51 3h8d n GLY 1200Ca 0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 3h8d n GLY 1200CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h8d h LYS 1201N 0.00 0.31 -0.22 1.61 3.64 -1.90 -3.40 116.57 116.61 3h8d h LYS 1201Ca 0.00 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 3h8d h LYS 1201Cb 0.00 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3h8d h LYS 1201CO 0.00 1.25 -0.02 -0.25 -2.27 0.00 0.00 179.45 178.16 3h8d n ASP 1202N -4.07 3.27 -0.25 4.20 8.00 -0.25 -4.83 116.55 122.63 3h8d n ASP 1202Ca -0.16 -3.18 0.13 0.00 0.71 0.00 0.00 54.79 52.29 3h8d n ASP 1202Cb 0.86 -0.54 0.41 0.00 -0.02 0.00 0.00 41.12 41.83 3h8d n ASP 1202CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3h8d h ASP 1203N 1.26 0.58 0.70 -2.24 3.32 -1.79 -1.10 116.42 117.16 3h8d h ASP 1203Ca 0.04 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3h8d h ASP 1203Cb 1.38 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3h8d h ASP 1203CO 0.20 0.29 -0.10 0.24 -1.72 0.00 0.00 179.24 178.15 3h8d h MET 1204N 0.61 0.00 0.00 3.56 0.00 -1.96 -2.95 114.93 114.20 3h8d h MET 1204Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 59.70 60.14 3h8d h MET 1204Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.39 3h8d h MET 1204CO -0.19 0.10 -1.16 0.39 0.00 0.00 0.00 176.91 176.05 3h8d n GLU 1205N -3.34 0.46 -3.06 1.72 1.02 -0.43 -4.98 120.64 112.04 3h8d n GLU 1205Ca -0.01 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 3h8d n GLU 1205Cb 0.30 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3h8d n GLU 1205CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3h8d s MET 1206N -3.31 3.74 -0.03 3.49 -1.94 -1.12 -5.02 119.30 115.12 3h8d s MET 1206Ca 0.00 0.31 -0.39 0.00 -1.71 0.00 0.00 55.69 53.91 3h8d s MET 1206Cb 0.13 -2.49 -0.18 0.00 2.01 0.00 0.00 34.83 34.30 3h8d s MET 1206CO 0.81 0.08 1.36 0.00 -0.01 0.00 0.00 175.02 177.26 3h8d n GLU 1208N 2.85 0.29 -2.39 0.00 1.02 -1.26 -4.92 120.64 116.23 3h8d n GLU 1208Ca 0.21 0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.98 3h8d n GLU 1208Cb 0.14 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 3h8d n GLU 1208CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h8d s LEU 1209N -4.05 4.48 0.80 -4.62 1.43 -1.26 -5.05 118.68 110.41 3h8d s LEU 1209Ca 0.05 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.30 3h8d s LEU 1209Cb 0.14 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.82 3h8d s LEU 1209CO 0.76 -0.32 1.15 0.54 0.23 0.00 0.00 176.35 178.71 3h8d s ASN 1210N -0.19 4.55 0.23 2.29 6.03 -1.26 -4.74 114.94 121.85 3h8d s ASN 1210Ca 0.50 0.93 -0.06 0.00 -1.03 0.00 0.00 52.86 53.21 3h8d s ASN 1210Cb -0.33 -1.53 0.39 0.00 -3.03 0.00 0.00 41.25 36.76 3h8d s ASN 1210CO 0.39 -1.89 1.75 0.25 -2.03 0.00 0.00 177.10 175.57 3h8d h LEU 1211N -1.04 0.34 -1.07 3.54 5.85 -1.37 -1.45 115.31 120.10 3h8d h LEU 1211Ca -0.47 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 3h8d h LEU 1211Cb 1.31 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 3h8d h LEU 1211CO 0.64 0.16 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.72 3h8d h GLU 1212N 0.49 0.54 -0.00 1.25 4.57 -1.93 -2.86 114.58 116.63 3h8d h GLU 1212Ca 0.38 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3h8d h GLU 1212Cb 0.51 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3h8d h GLU 1212CO -0.34 0.64 -0.11 -0.85 -1.18 0.00 0.00 179.01 177.16 3h8d n GLU 1213N -4.21 0.65 0.03 1.92 0.28 -0.56 -3.51 120.64 115.24 3h8d n GLU 1213Ca 0.01 -0.22 -0.15 0.00 -0.16 0.00 0.00 57.16 56.64 3h8d n GLU 1213Cb 0.32 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.55 3h8d n GLU 1213CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3h8d h THR 1214N 0.54 1.04 0.00 3.84 1.35 -1.30 -3.48 112.91 114.89 3h8d h THR 1214Ca 0.00 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 3h8d h THR 1214Cb 0.36 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3h8d h THR 1214CO 0.00 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3h8d n GLY 1215N 1.67 0.62 0.34 5.82 0.00 -1.23 -4.94 105.19 107.48 3h8d n GLY 1215Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 3h8d n GLY 1215CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h8d h LEU 1216N 0.00 0.41 -0.21 0.99 3.38 -1.90 0.23 115.31 118.22 3h8d h LEU 1216Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h8d h LEU 1216Cb 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3h8d h LEU 1216CO 0.00 0.27 0.00 0.35 0.09 0.00 0.00 178.44 179.15 3h8d n THR 1217N -4.47 1.03 0.37 0.22 -2.24 -1.26 -2.84 114.28 105.08 3h8d n THR 1217Ca 0.08 0.28 0.06 0.00 -2.27 0.00 0.00 64.05 62.19 3h8d n THR 1217Cb 0.27 -1.10 0.07 0.00 -2.10 0.00 0.00 70.33 67.48 3h8d n THR 1217CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h8d n ARG 1218N -1.70 1.11 -3.45 -0.78 1.74 0.80 -4.91 116.66 109.47 3h8d n ARG 1218Ca 0.03 -1.40 -0.41 0.00 -0.77 0.00 0.00 57.85 55.30 3h8d n ARG 1218Cb 0.17 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 3h8d n ARG 1218CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3h8d s LYS 1219N -1.01 3.32 0.13 5.56 2.20 -1.07 -5.05 119.74 123.83 3h8d s LYS 1219Ca 0.16 -0.70 -0.35 0.00 -0.36 0.00 0.00 55.97 54.73 3h8d s LYS 1219Cb 0.11 -3.87 -0.15 0.00 -1.51 0.00 0.00 37.83 32.41 3h8d s LYS 1219CO 0.16 -0.60 1.51 -2.13 -0.36 0.00 0.00 175.35 173.93 3h8d n ARG 1220N 5.26 1.84 0.00 4.03 0.63 -1.26 -2.05 116.66 125.10 3h8d n ARG 1220Ca -0.11 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 3h8d n ARG 1220Cb 0.49 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.00 3h8d n ARG 1220CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h8d n GLY 1221N 3.16 2.64 0.23 5.14 0.00 -1.26 -4.91 105.19 110.19 3h8d n GLY 1221Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3h8d n GLY 1221CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8d h ALA 1222N 0.00 0.47 -2.75 4.61 0.00 -1.64 -3.45 119.26 116.51 3h8d h ALA 1222Ca 0.00 -0.41 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 3h8d h ALA 1222Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.72 3h8d h ALA 1222CO 0.00 0.50 0.58 -2.00 0.00 0.00 0.00 179.25 178.33 3h8d s GLU 1223N -4.39 4.47 0.26 0.00 2.12 -1.26 0.14 118.70 120.04 3h8d s GLU 1223Ca -0.12 1.98 0.05 0.00 0.36 0.00 0.00 54.97 57.24 3h8d s GLU 1223Cb 0.09 -3.18 -0.06 0.00 0.26 0.00 0.00 34.13 31.25 3h8d s GLU 1223CO 0.84 -0.09 -0.03 0.96 -0.54 0.00 0.00 175.26 176.40 3h8d s ILE 1224N -0.49 1.41 0.56 -3.70 -4.36 0.06 -4.88 121.20 109.81 3h8d s ILE 1224Ca 0.51 -2.08 -0.16 0.00 -0.26 0.00 0.00 60.65 58.66 3h8d s ILE 1224Cb -0.35 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 3h8d s ILE 1224CO 0.41 -0.29 1.03 -0.76 0.24 0.00 0.00 174.94 175.57 3h8d s LEU 1225N -3.40 3.54 0.28 0.37 1.43 -1.26 -4.12 118.68 115.52 3h8d s LEU 1225Ca 0.29 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 3h8d s LEU 1225Cb 0.05 -4.52 0.66 0.00 0.03 0.00 0.00 46.19 42.40 3h8d s LEU 1225CO 0.11 -0.93 1.67 -0.65 0.23 0.00 0.00 176.35 176.78 3h8d h PRO 1226N 0.61 0.27 -0.15 1.29 0.11 -1.95 -1.95 132.00 130.23 3h8d h PRO 1226Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3h8d h PRO 1226Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3h8d h PRO 1226CO 0.59 0.18 -0.24 -0.09 -0.21 0.00 0.00 178.00 178.23 3h8d h ARG 1227N 0.28 0.27 0.00 1.05 9.65 -1.98 0.46 114.38 124.12 3h8d h ARG 1227Ca 0.52 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 59.28 3h8d h ARG 1227Cb 1.00 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.55 3h8d h ARG 1227CO -0.58 0.50 -0.15 1.96 2.80 0.00 0.00 179.97 184.50 3h8d h GLN 1228N 0.25 0.00 0.06 0.20 4.20 -1.74 -0.83 115.11 117.25 3h8d h GLN 1228Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3h8d h GLN 1228Cb 0.57 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.35 3h8d h GLN 1228CO 0.04 0.15 -0.40 0.35 -0.67 0.00 0.00 178.83 178.31 3h8d h PHE 1229N 0.00 0.24 -0.54 2.96 3.57 -1.33 -3.38 116.94 118.46 3h8d h PHE 1229Ca -0.00 -0.17 -0.11 0.00 3.53 0.00 0.00 57.97 61.22 3h8d h PHE 1229Cb 0.28 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3h8d h PHE 1229CO 0.00 1.15 -0.08 0.93 -2.23 0.00 0.00 178.31 178.08 3h8d h GLU 1230N -0.72 0.99 -0.86 1.11 4.39 -0.69 -1.20 114.58 117.60 3h8d h GLU 1230Ca -0.07 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 3h8d h GLU 1230Cb 1.29 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 3h8d h GLU 1230CO 0.06 1.02 0.47 1.49 -1.16 0.00 0.00 179.01 180.89 3h8d h GLU 1231N 0.89 1.19 -0.14 2.33 4.81 -1.38 -0.39 114.58 121.89 3h8d h GLU 1231Ca 0.15 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3h8d h GLU 1231Cb 0.63 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h8d h GLU 1231CO 0.04 0.87 -0.40 0.82 -0.73 0.00 0.00 179.01 179.61 3h8d h ILE 1232N 1.20 1.36 -0.64 2.32 1.08 -1.69 -2.73 117.51 118.41 3h8d h ILE 1232Ca 0.30 -1.69 0.09 0.00 -0.39 0.00 0.00 64.86 63.17 3h8d h ILE 1232Cb 0.03 2.06 -0.07 0.00 -3.07 0.00 0.00 36.82 35.77 3h8d h ILE 1232CO -0.05 0.51 0.29 -0.25 -0.69 0.00 0.00 178.15 177.96 3h8d h TRP 1233N 0.14 0.52 0.13 1.37 2.91 -1.00 -1.97 115.95 118.03 3h8d h TRP 1233Ca -0.01 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3h8d h TRP 1233Cb 1.02 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 3h8d h TRP 1233CO 0.10 0.18 -0.06 0.93 -1.03 0.00 0.00 178.44 178.56 3h8d h GLU 1234N 0.51 -0.16 0.00 2.65 5.08 -1.08 0.18 114.58 121.76 3h8d h GLU 1234Ca 0.31 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3h8d h GLU 1234Cb 0.33 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3h8d h GLU 1234CO -0.27 -0.09 -0.04 0.00 -1.00 0.00 0.00 179.01 177.62 3h8d h ARG 1235N -0.20 0.00 -0.08 2.33 3.08 -1.13 -1.07 114.38 117.31 3h8d h ARG 1235Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h8d h ARG 1235Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3h8d h ARG 1235CO 0.03 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 3h8d n GLY 1237N 1.09 0.73 0.19 0.00 0.00 -0.41 -5.00 105.19 101.79 3h8d n GLY 1237Ca 0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 3h8d n GLY 1237CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h8d h GLY 1238N 0.00 0.18 1.03 -0.02 0.00 -0.69 -2.57 103.07 101.00 3h8d h GLY 1238Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 3h8d h GLY 1238CO 0.00 0.16 -0.54 -2.22 0.00 0.00 0.00 176.54 173.94 3h8d h ILE 1239N 0.14 1.31 -0.09 2.60 2.04 -1.84 -1.21 117.51 120.46 3h8d h ILE 1239Ca 0.01 -1.76 -0.15 0.00 1.00 0.00 0.00 64.86 63.95 3h8d h ILE 1239Cb 0.83 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3h8d h ILE 1239CO 0.06 0.55 -0.62 1.56 0.00 0.00 0.00 178.15 179.71 3h8d h GLN 1240N 0.41 0.31 -0.68 2.37 4.20 -1.96 -1.71 115.11 118.05 3h8d h GLN 1240Ca -0.01 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 3h8d h GLN 1240Cb 1.16 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 3h8d h GLN 1240CO 0.12 0.83 0.23 -0.92 -0.67 0.00 0.00 178.83 178.42 3h8d h TYR 1241N 0.23 1.07 -0.31 2.96 3.20 -1.36 0.73 116.97 123.49 3h8d h TYR 1241Ca -0.01 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 3h8d h TYR 1241Cb 1.14 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3h8d h TYR 1241CO 0.03 0.85 -0.24 1.25 -1.64 0.00 0.00 178.16 178.41 3h8d h LEU 1242N 0.98 0.75 -0.48 2.82 5.85 -1.16 -2.46 115.31 121.60 3h8d h LEU 1242Ca 0.22 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3h8d h LEU 1242Cb 0.27 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3h8d h LEU 1242CO -0.01 1.04 0.16 1.56 -0.34 0.00 0.00 178.44 180.85 3h8d h GLN 1243N 0.47 0.74 0.00 1.25 4.20 -1.11 -2.80 115.11 117.86 3h8d h GLN 1243Ca 0.06 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3h8d h GLN 1243Cb 0.80 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3h8d h GLN 1243CO 0.06 0.69 -0.21 0.66 -0.67 0.00 0.00 178.83 179.36 3h8d h SER 1244N 0.64 0.00 0.09 1.46 4.64 -0.89 -2.95 113.55 116.54 3h8d h SER 1244Ca 0.16 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 3h8d h SER 1244Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3h8d h SER 1244CO -0.01 0.21 -0.59 0.00 -0.87 0.00 0.00 176.83 175.57 3h8d h ALA 1245N 1.79 0.68 -0.41 5.18 0.00 -1.19 -3.01 119.26 122.31 3h8d h ALA 1245Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3h8d h ALA 1245Cb 0.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3h8d h ALA 1245CO 0.03 0.70 0.21 0.82 0.00 0.00 0.00 179.25 181.01 3h8d h ILE 1246N 0.38 1.16 0.26 0.00 2.04 -1.32 -3.16 117.51 116.87 3h8d h ILE 1246Ca -0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3h8d h ILE 1246Cb 1.14 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3h8d h ILE 1246CO 0.11 0.17 -0.12 -0.33 0.00 0.00 0.00 178.15 177.97 3h8d h GLU 1247N 0.52 -0.33 -0.00 2.37 3.07 -1.61 -3.53 114.58 115.07 3h8d h GLU 1247Ca 0.14 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3h8d h GLU 1247Cb 0.07 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3h8d h GLU 1247CO -0.02 -0.13 0.00 -1.13 -1.40 0.00 0.00 179.01 176.33