#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbr s ALA 1111N 0.00 3.13 -0.03 4.61 0.00 -1.26 -5.05 121.76 123.17 2wbr s ALA 1111Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2wbr s ALA 1111Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2wbr s ALA 1111CO 0.00 -0.22 -0.02 -1.64 0.00 0.00 0.00 175.76 173.88 2wbr s MET 1112N -2.34 2.78 0.07 0.00 1.00 -1.26 -5.12 119.30 114.44 2wbr s MET 1112Ca 0.56 -0.58 0.04 0.00 0.00 0.00 0.00 55.69 55.72 2wbr s MET 1112Cb -0.24 -2.66 -0.04 0.00 0.00 0.00 0.00 34.83 31.90 2wbr s MET 1112CO 0.30 0.64 -0.00 0.00 0.00 0.00 0.00 175.02 175.96 2wbr s ALA 1113N -0.99 3.28 0.10 3.03 0.00 -1.26 -5.13 121.76 120.78 2wbr s ALA 1113Ca 0.17 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2wbr s ALA 1113Cb -0.11 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2wbr s ALA 1113CO 0.07 0.69 -0.09 1.67 0.00 0.00 0.00 175.76 178.10 2wbr s TRP 1114N -1.26 0.98 0.27 0.00 -2.14 -1.26 -5.17 118.94 110.36 2wbr s TRP 1114Ca 0.24 -0.72 0.02 0.00 2.66 0.00 0.00 56.10 58.31 2wbr s TRP 1114Cb -0.12 -0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 29.65 2wbr s TRP 1114CO 0.17 -0.05 0.07 0.20 -2.66 0.00 0.00 176.95 174.68 2wbr s GLY 1115N -2.59 1.79 0.13 3.67 0.00 -1.26 -5.16 107.32 103.91 2wbr s GLY 1115Ca 0.07 -1.90 0.11 0.00 0.00 0.00 0.00 44.72 42.99 2wbr s GLY 1115CO -0.01 -1.67 -0.25 -0.56 0.00 0.00 0.00 173.10 170.61 2wbr s SER 1116N -3.36 3.44 -0.21 1.64 0.01 -1.26 -4.91 113.70 109.06 2wbr s SER 1116Ca 0.36 -0.73 -0.22 0.00 1.31 0.00 0.00 55.95 56.67 2wbr s SER 1116Cb 0.08 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 2wbr s SER 1116CO 0.13 0.17 0.67 -0.94 0.41 0.00 0.00 173.24 173.69 2wbr s SER 1117N -2.14 6.72 -0.04 2.44 1.04 -1.26 -4.99 113.70 115.47 2wbr s SER 1117Ca 0.15 0.88 0.03 0.00 0.48 0.00 0.00 55.95 57.49 2wbr s SER 1117Cb -0.10 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2wbr s SER 1117CO 0.07 -0.33 -0.11 0.26 0.98 0.00 0.00 173.24 174.11 2wbr s TRP 1118N 2.12 1.20 -0.04 5.02 0.52 -1.26 -3.01 118.94 123.48 2wbr s TRP 1118Ca 0.30 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.13 2wbr s TRP 1118Cb -0.16 -0.85 -0.00 0.00 -1.15 0.00 0.00 33.47 31.31 2wbr s TRP 1118CO 0.10 -0.14 -0.16 -0.51 0.02 0.00 0.00 176.95 176.26 2wbr s LEU 1119N 0.23 1.89 -0.18 2.99 1.43 -0.96 -4.72 118.68 119.36 2wbr s LEU 1119Ca -0.05 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2wbr s LEU 1119Cb -0.10 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2wbr s LEU 1119CO 0.01 0.14 -0.13 -0.22 0.23 0.00 0.00 176.35 176.38 2wbr s LEU 1120N 0.10 2.54 -0.12 1.79 2.96 -0.88 -2.18 118.68 122.90 2wbr s LEU 1120Ca -0.05 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 2wbr s LEU 1120Cb -0.12 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2wbr s LEU 1120CO 0.02 0.03 0.13 -0.76 -1.32 0.00 0.00 176.35 174.45 2wbr s LEU 1121N 1.17 4.31 0.26 -0.68 1.43 -0.49 -1.88 118.68 122.80 2wbr s LEU 1121Ca 0.01 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2wbr s LEU 1121Cb -0.14 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2wbr s LEU 1121CO -0.05 0.40 0.16 -0.54 0.23 0.00 0.00 176.35 176.56 2wbr s LYS 1122N -1.03 1.46 -0.52 1.70 1.02 -0.42 -1.12 119.74 120.83 2wbr s LYS 1122Ca 0.15 -1.81 -0.01 0.00 0.02 0.00 0.00 55.97 54.32 2wbr s LYS 1122Cb -0.12 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 2wbr s LYS 1122CO 0.04 -0.45 0.44 -1.71 -0.92 0.00 0.00 175.35 172.75 2wbr n ASN 1123N -0.75 -2.48 -4.87 2.83 5.15 -0.73 -2.45 115.26 111.96 2wbr n ASN 1123Ca 0.03 -0.25 -0.37 0.00 -0.60 0.00 0.00 54.58 53.38 2wbr n ASN 1123Cb 0.65 -2.44 -0.06 0.00 -0.53 0.00 0.00 39.78 37.40 2wbr n ASN 1123CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wbr s LEU 1124N -3.79 4.36 0.54 1.20 1.43 -0.84 -4.68 118.68 116.88 2wbr s LEU 1124Ca 0.06 0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 2wbr s LEU 1124Cb -0.03 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2wbr s LEU 1124CO 0.31 0.41 1.07 0.42 0.23 0.00 0.00 176.35 178.79 2wbr s THR 1125N -1.03 3.61 0.67 5.49 -4.23 -1.26 -3.92 115.64 114.97 2wbr s THR 1125Ca 0.15 0.91 0.42 0.00 -1.18 0.00 0.00 61.69 61.99 2wbr s THR 1125Cb -0.12 -3.37 0.42 0.00 1.34 0.00 0.00 72.50 70.77 2wbr s THR 1125CO 0.04 -0.30 2.28 0.00 -0.54 0.00 0.00 174.62 176.10 2wbr h ALA 1126N 1.06 1.07 -0.18 3.99 0.00 -1.81 -1.53 119.26 121.86 2wbr h ALA 1126Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wbr h ALA 1126Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wbr h ALA 1126CO 0.58 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.80 2wbr n GLN 1127N -3.04 1.80 -2.54 0.00 1.13 -1.26 -4.46 117.38 109.00 2wbr n GLN 1127Ca -0.03 -0.82 -0.43 0.00 -1.94 0.00 0.00 57.00 53.79 2wbr n GLN 1127Cb 0.14 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 29.02 2wbr n GLN 1127CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wbr s ILE 1128N -1.61 4.46 -0.14 5.09 -1.09 -0.58 -5.01 121.20 122.33 2wbr s ILE 1128Ca 0.15 1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 60.14 2wbr s ILE 1128Cb 0.09 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2wbr s ILE 1128CO 0.07 -0.07 0.52 -1.81 -1.23 0.00 0.00 174.94 172.42 2wbr s ASP 1129N 1.45 6.68 -0.64 3.58 1.01 -1.26 -4.57 116.67 122.92 2wbr s ASP 1129Ca 0.52 0.81 0.06 0.00 0.71 0.00 0.00 52.55 54.64 2wbr s ASP 1129Cb -0.21 -2.30 0.26 0.00 1.01 0.00 0.00 42.92 41.69 2wbr s ASP 1129CO 0.16 -0.07 0.79 0.61 0.21 0.00 0.00 175.17 176.87 2wbr n GLY 1130N 3.45 4.95 0.10 0.21 0.00 -1.26 -4.64 105.19 108.00 2wbr n GLY 1130Ca -0.06 -2.78 -0.19 0.00 0.00 0.00 0.00 46.02 43.00 2wbr n GLY 1130CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wbr h PRO 1131N 4.01 0.06 -0.76 1.61 0.13 -1.98 -2.99 132.00 132.08 2wbr h PRO 1131Ca 0.19 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wbr h PRO 1131Cb 0.64 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.77 2wbr h PRO 1131CO 0.84 1.05 0.46 1.15 -0.23 0.00 0.00 178.00 181.27 2wbr h THR 1132N -0.83 1.21 -0.06 1.56 2.02 -1.99 -0.24 112.91 114.58 2wbr h THR 1132Ca -0.20 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 2wbr h THR 1132Cb 1.30 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2wbr h THR 1132CO -0.06 0.22 0.02 0.25 0.37 0.00 0.00 175.52 176.32 2wbr h LEU 1133N 1.04 0.08 -0.53 2.58 5.85 -1.83 -1.67 115.31 120.82 2wbr h LEU 1133Ca 0.27 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2wbr h LEU 1133Cb -0.05 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2wbr h LEU 1133CO -0.05 0.22 0.33 -0.09 -0.34 0.00 0.00 178.44 178.51 2wbr h ARG 1134N -0.07 0.71 -0.81 1.25 2.43 -1.35 -2.71 114.38 113.84 2wbr h ARG 1134Ca 0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wbr h ARG 1134Cb 0.17 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2wbr h ARG 1134CO -0.00 0.50 0.50 1.79 -1.51 0.00 0.00 179.97 181.25 2wbr h THR 1135N 0.71 1.22 -0.77 0.20 1.35 -0.91 -2.07 112.91 112.65 2wbr h THR 1135Ca 0.19 -0.48 0.03 0.00 -0.55 0.00 0.00 66.41 65.60 2wbr h THR 1135Cb -0.03 0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 66.42 2wbr h THR 1135CO -0.04 0.23 0.49 0.25 -0.25 0.00 0.00 175.52 176.21 2wbr h LEU 1136N 1.11 0.81 -0.76 3.87 5.85 -1.08 -1.88 115.31 123.23 2wbr h LEU 1136Ca 0.29 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2wbr h LEU 1136Cb -0.05 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2wbr h LEU 1136CO -0.06 0.56 0.40 0.00 -0.34 0.00 0.00 178.44 179.01 2wbr h MET 1138N 1.05 1.14 -0.68 0.00 1.85 -0.95 -2.49 114.93 114.86 2wbr h MET 1138Ca 0.27 -0.18 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 2wbr h MET 1138Cb 0.06 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 2wbr h MET 1138CO -0.04 0.90 0.37 1.96 -0.40 0.00 0.00 176.91 179.69 2wbr h GLN 1139N 1.12 0.94 -0.52 0.39 4.20 -0.86 -2.61 115.11 117.78 2wbr h GLN 1139Ca 0.27 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2wbr h GLN 1139Cb 0.14 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2wbr h GLN 1139CO -0.03 0.70 0.05 0.45 -0.67 0.00 0.00 178.83 179.33 2wbr h HIS 1140N 0.95 0.95 -3.23 2.96 3.86 -0.99 -3.46 115.15 116.18 2wbr h HIS 1140Ca 0.24 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2wbr h HIS 1140Cb 0.03 -0.25 -0.10 0.00 1.06 0.00 0.00 27.41 28.15 2wbr h HIS 1140CO 0.01 0.86 0.07 0.20 0.86 0.00 0.00 177.93 179.93 2wbr s GLY 1141N -3.37 -0.17 0.46 2.45 0.00 -0.98 -5.12 107.32 100.59 2wbr s GLY 1141Ca -0.12 -0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.22 2wbr s GLY 1141CO 0.82 -0.19 1.41 -1.55 0.00 0.00 0.00 173.10 173.59 2wbr n PRO 1142N -0.36 2.16 -3.57 2.90 -0.04 -1.26 -4.20 135.00 130.63 2wbr n PRO 1142Ca -0.10 0.77 -0.40 0.00 -0.04 0.00 0.00 63.50 63.72 2wbr n PRO 1142Cb 0.62 -2.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.37 2wbr n PRO 1142CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wbr s LEU 1143N -2.69 4.56 -0.16 1.53 2.96 -1.26 -4.70 118.68 118.92 2wbr s LEU 1143Ca 0.62 -0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 2wbr s LEU 1143Cb -0.45 -2.07 -0.14 0.00 0.50 0.00 0.00 46.19 44.03 2wbr s LEU 1143CO 0.56 -0.30 0.25 0.58 -1.32 0.00 0.00 176.35 176.12 2wbr h VAL 1144N 5.67 0.81 -2.59 1.68 2.07 -1.94 -3.48 116.25 118.48 2wbr h VAL 1144Ca -0.29 -1.78 -0.10 0.00 0.82 0.00 0.00 66.70 65.35 2wbr h VAL 1144Cb 1.13 1.70 -0.24 0.00 -1.52 0.00 0.00 31.29 32.36 2wbr h VAL 1144CO 0.66 0.28 -0.19 -0.55 0.02 0.00 0.00 177.57 177.78 2wbr s SER 1145N -6.22 -0.51 -0.10 0.57 0.15 -1.26 -5.07 113.70 101.26 2wbr s SER 1145Ca -0.18 0.95 -0.06 0.00 0.70 0.00 0.00 55.95 57.37 2wbr s SER 1145Cb 0.02 0.93 0.04 0.00 -1.71 0.00 0.00 66.02 65.30 2wbr s SER 1145CO 0.44 -0.17 0.25 0.12 1.20 0.00 0.00 173.24 175.07 2wbr s PHE 1146N 0.58 -0.32 -0.28 3.44 2.19 -1.26 -2.46 117.98 119.87 2wbr s PHE 1146Ca -0.03 0.76 0.00 0.00 0.33 0.00 0.00 56.93 57.99 2wbr s PHE 1146Cb -0.05 0.06 0.09 0.00 -1.31 0.00 0.00 43.02 41.81 2wbr s PHE 1146CO -0.03 -0.21 0.05 -1.01 1.83 0.00 0.00 175.22 175.84 2wbr s HIS 1147N 1.03 2.09 -0.12 10.12 3.76 -0.75 -5.03 115.29 126.38 2wbr s HIS 1147Ca -0.07 -1.82 -0.20 0.00 -0.15 0.00 0.00 55.06 52.82 2wbr s HIS 1147Cb -0.09 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 2wbr s HIS 1147CO -0.07 -0.83 0.55 -1.25 -0.85 0.00 0.00 174.74 172.29 2wbr s PRO 1148N 1.49 4.34 -0.19 8.40 0.04 -1.26 -2.15 135.00 145.67 2wbr s PRO 1148Ca 0.05 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 2wbr s PRO 1148Cb -0.18 -3.47 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 2wbr s PRO 1148CO -0.16 0.06 -0.02 0.71 0.04 0.00 0.00 177.00 177.63 2wbr s TYR 1149N 0.90 3.02 0.01 0.56 1.51 0.10 -4.98 117.35 118.47 2wbr s TYR 1149Ca 0.29 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.70 2wbr s TYR 1149Cb -0.16 -2.04 -0.26 0.00 -0.11 0.00 0.00 41.96 39.39 2wbr s TYR 1149CO 0.12 -0.21 1.07 1.37 -1.11 0.00 0.00 175.55 176.79 2wbr h LEU 1150N 7.29 0.63 0.17 -1.29 8.10 -1.80 -2.85 115.31 125.56 2wbr h LEU 1150Ca -0.35 -0.81 -0.01 0.00 0.11 0.00 0.00 57.88 56.83 2wbr h LEU 1150Cb 1.18 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 2wbr h LEU 1150CO 0.61 1.36 -0.08 -1.13 -4.11 0.00 0.00 178.44 175.09 2wbr h ASN 1151N -0.03 -0.20 1.06 0.17 -0.73 -1.84 -1.29 115.58 112.72 2wbr h ASN 1151Ca -0.12 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 57.94 2wbr h ASN 1151Cb 1.54 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 40.18 2wbr h ASN 1151CO 0.16 -0.01 -0.02 1.56 -0.37 0.00 0.00 177.43 178.75 2wbr h GLN 1152N -0.38 0.00 -0.55 6.67 4.20 -1.92 -3.42 115.11 119.71 2wbr h GLN 1152Ca -0.02 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2wbr h GLN 1152Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2wbr h GLN 1152CO 0.04 0.02 -0.07 0.41 -0.67 0.00 0.00 178.83 178.56 2wbr n GLY 1153N 0.09 0.33 3.11 3.46 0.00 -0.49 -4.88 105.19 106.82 2wbr n GLY 1153Ca 0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 2wbr n GLY 1153CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wbr s ILE 1154N -2.26 0.75 -0.02 -0.61 -4.36 -1.08 -1.76 121.20 111.86 2wbr s ILE 1154Ca 0.01 -1.28 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 2wbr s ILE 1154Cb -0.00 -0.91 0.02 0.00 1.25 0.00 0.00 42.46 42.82 2wbr s ILE 1154CO 0.01 -0.41 0.01 0.00 0.24 0.00 0.00 174.94 174.80 2wbr s ALA 1155N -1.67 0.13 -0.10 2.27 0.00 -0.27 -0.72 121.76 121.39 2wbr s ALA 1155Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2wbr s ALA 1155Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2wbr s ALA 1155CO 0.00 -0.06 -0.13 -1.17 0.00 0.00 0.00 175.76 174.41 2wbr s LEU 1156N 0.67 2.77 0.00 0.00 2.96 -0.91 -1.40 118.68 122.77 2wbr s LEU 1156Ca -0.06 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2wbr s LEU 1156Cb -0.09 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 2wbr s LEU 1156CO -0.02 0.23 0.11 0.00 -1.32 0.00 0.00 176.35 175.36 2wbr s LYS 1158N -1.31 2.60 0.30 0.00 2.20 -1.03 -2.25 119.74 120.24 2wbr s LYS 1158Ca -0.14 -0.65 0.09 0.00 -0.36 0.00 0.00 55.97 54.91 2wbr s LYS 1158Cb -0.08 -2.48 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 2wbr s LYS 1158CO 0.01 0.63 0.04 0.71 -0.36 0.00 0.00 175.35 176.39 2wbr s TYR 1159N -0.82 2.69 0.12 4.03 2.02 -1.16 -4.18 117.35 120.04 2wbr s TYR 1159Ca 0.13 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.48 2wbr s TYR 1159Cb -0.11 -1.36 -0.13 0.00 -0.40 0.00 0.00 41.96 39.96 2wbr s TYR 1159CO 0.02 0.52 1.27 1.79 -1.57 0.00 0.00 175.55 177.58 2wbr h THR 1160N 1.77 1.38 -4.04 -0.71 1.35 -1.89 -3.39 112.91 107.38 2wbr h THR 1160Ca -0.44 -2.45 -0.62 0.00 -0.55 0.00 0.00 66.41 62.36 2wbr h THR 1160Cb 1.25 2.45 -0.24 0.00 -1.73 0.00 0.00 68.15 69.88 2wbr h THR 1160CO 0.62 0.73 -0.85 0.42 -0.25 0.00 0.00 175.52 176.19 2wbr s THR 1161N -3.24 1.90 0.22 6.82 -4.23 -1.26 -4.84 115.64 111.01 2wbr s THR 1161Ca -0.06 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 2wbr s THR 1161Cb 0.08 -1.68 0.11 0.00 1.34 0.00 0.00 72.50 72.35 2wbr s THR 1161CO 0.88 0.11 1.72 0.08 -0.54 0.00 0.00 174.62 176.87 2wbr h ARG 1162N 4.33 0.99 -0.47 3.99 0.11 -1.90 -2.38 114.38 119.05 2wbr h ARG 1162Ca -0.47 -0.26 -0.07 0.00 0.10 0.00 0.00 59.98 59.28 2wbr h ARG 1162Cb 1.17 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.11 2wbr h ARG 1162CO 0.41 0.93 0.03 0.93 0.10 0.00 0.00 179.97 182.37 2wbr h GLU 1163N 0.92 0.82 -0.85 0.08 3.07 -2.00 -2.44 114.58 114.18 2wbr h GLU 1163Ca 0.18 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 2wbr h GLU 1163Cb 0.45 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 2wbr h GLU 1163CO 0.02 0.85 0.44 1.49 -1.40 0.00 0.00 179.01 180.41 2wbr h GLU 1164N 0.68 1.20 -0.28 2.33 4.81 -1.95 -2.52 114.58 118.84 2wbr h GLU 1164Ca 0.14 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2wbr h GLU 1164Cb 0.47 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2wbr h GLU 1164CO 0.02 0.90 0.17 0.00 -0.73 0.00 0.00 179.01 179.37 2wbr h ALA 1165N 1.28 0.36 -0.67 2.92 0.00 -1.15 -1.65 119.26 120.36 2wbr h ALA 1165Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wbr h ALA 1165Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2wbr h ALA 1165CO -0.04 -0.13 0.37 -0.91 0.00 0.00 0.00 179.25 178.54 2wbr h ASN 1166N 0.35 0.83 -0.80 0.00 2.35 -1.18 -1.92 115.58 115.22 2wbr h ASN 1166Ca 0.10 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2wbr h ASN 1166Cb 0.02 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 2wbr h ASN 1166CO -0.02 0.68 0.43 0.50 -1.65 0.00 0.00 177.43 177.37 2wbr h LYS 1167N 0.92 1.12 -0.71 0.81 3.64 -1.28 -2.34 116.57 118.73 2wbr h LYS 1167Ca 0.24 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2wbr h LYS 1167Cb 0.03 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2wbr h LYS 1167CO -0.04 0.83 0.39 0.00 -2.27 0.00 0.00 179.45 178.36 2wbr h ALA 1168N 1.23 0.92 -0.61 5.00 0.00 -0.64 -2.64 119.26 122.51 2wbr h ALA 1168Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2wbr h ALA 1168Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2wbr h ALA 1168CO -0.04 0.43 0.12 0.37 0.00 0.00 0.00 179.25 180.13 2wbr h GLN 1169N 0.98 0.99 -0.85 0.00 4.15 -1.06 -1.50 115.11 117.83 2wbr h GLN 1169Ca 0.25 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2wbr h GLN 1169Cb 0.03 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2wbr h GLN 1169CO -0.04 0.92 0.50 0.52 -1.93 0.00 0.00 178.83 178.80 2wbr h MET 1170N 0.90 1.16 -0.06 1.69 2.86 -1.09 0.85 114.93 121.24 2wbr h MET 1170Ca 0.19 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 2wbr h MET 1170Cb 0.39 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 31.82 2wbr h MET 1170CO 0.01 0.82 -0.51 0.00 1.06 0.00 0.00 176.91 178.29 2wbr h ALA 1171N 1.27 0.14 -0.01 6.32 0.00 -1.34 -3.31 119.26 122.32 2wbr h ALA 1171Ca 0.30 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2wbr h ALA 1171Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2wbr h ALA 1171CO -0.05 0.34 -0.71 -0.07 0.00 0.00 0.00 179.25 178.75 2wbr h LEU 1172N -0.02 0.11 -9.85 0.00 3.38 -1.11 -3.42 115.31 104.40 2wbr h LEU 1172Ca -0.05 -0.07 -0.50 0.00 0.09 0.00 0.00 57.88 57.35 2wbr h LEU 1172Cb 1.18 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.92 2wbr h LEU 1172CO 0.10 0.78 0.48 0.21 0.09 0.00 0.00 178.44 180.10 2wbr s ASN 1173N -6.86 7.09 -1.50 -0.43 3.84 0.28 -3.37 114.94 113.99 2wbr s ASN 1173Ca -0.02 2.27 -0.06 0.00 0.21 0.00 0.00 52.86 55.26 2wbr s ASN 1173Cb 0.12 -2.62 0.02 0.00 -0.55 0.00 0.00 41.25 38.22 2wbr s ASN 1173CO 0.79 -0.27 0.62 0.59 -2.79 0.00 0.00 177.10 176.04 2wbr n ASN 1174N 0.86 -5.68 -4.61 -4.21 3.02 -1.16 -4.83 115.26 98.66 2wbr n ASN 1174Ca 0.00 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 53.89 2wbr n ASN 1174Cb 0.45 -4.60 -0.10 0.00 -0.61 0.00 0.00 39.78 34.93 2wbr n ASN 1174CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wbr s VAL 1176N 0.42 3.98 0.35 0.00 1.01 -1.26 -1.06 120.40 123.85 2wbr s VAL 1176Ca 0.02 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2wbr s VAL 1176Cb -0.13 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 2wbr s VAL 1176CO 0.01 0.49 -0.06 -0.76 0.00 0.00 0.00 175.10 174.78 2wbr s LEU 1177N 0.31 2.73 -0.47 3.92 1.43 -0.55 -5.01 118.68 121.05 2wbr s LEU 1177Ca -0.03 -1.24 -0.35 0.00 -1.03 0.00 0.00 54.13 51.48 2wbr s LEU 1177Cb -0.14 -0.93 -0.14 0.00 0.03 0.00 0.00 46.19 45.01 2wbr s LEU 1177CO 0.03 -0.28 2.27 0.00 0.23 0.00 0.00 176.35 178.59 2wbr n ALA 1178N -0.81 0.81 -0.94 4.21 0.00 -1.26 -1.28 120.51 121.23 2wbr n ALA 1178Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wbr n ALA 1178Cb 0.64 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2wbr n ALA 1178CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wbr n ASN 1179N 10.11 -2.40 -4.01 0.00 0.23 -1.26 -4.98 115.26 112.95 2wbr n ASN 1179Ca 0.46 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.43 2wbr n ASN 1179Cb 0.19 -1.12 -0.11 0.00 -2.08 0.00 0.00 39.78 36.66 2wbr n ASN 1179CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2wbr s THR 1180N -2.25 0.15 -0.05 5.53 -1.32 -0.40 -5.16 115.64 112.13 2wbr s THR 1180Ca 0.00 -1.21 0.05 0.00 -1.21 0.00 0.00 61.69 59.33 2wbr s THR 1180Cb 0.00 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.29 2wbr s THR 1180CO 0.00 -0.67 -0.23 -0.89 -2.21 0.00 0.00 174.62 170.63 2wbr s THR 1181N -2.30 1.87 -0.13 5.08 2.01 -1.26 -1.48 115.64 119.42 2wbr s THR 1181Ca -0.08 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 2wbr s THR 1181Cb -0.04 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2wbr s THR 1181CO -0.04 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 2wbr s ILE 1182N -0.08 3.02 0.16 1.82 1.01 -0.23 -4.74 121.20 122.16 2wbr s ILE 1182Ca -0.04 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.03 2wbr s ILE 1182Cb -0.13 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2wbr s ILE 1182CO 0.03 0.52 -0.13 -0.36 0.00 0.00 0.00 174.94 175.01 2wbr s PHE 1183N 0.36 2.59 -0.03 3.97 0.08 -1.03 -1.89 117.98 122.03 2wbr s PHE 1183Ca -0.11 -0.24 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2wbr s PHE 1183Cb -0.16 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 2wbr s PHE 1183CO 0.06 0.48 -0.06 0.00 -0.10 0.00 0.00 175.22 175.60 2wbr s ALA 1184N -1.55 0.68 0.15 5.36 0.00 -1.26 -1.30 121.76 123.85 2wbr s ALA 1184Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2wbr s ALA 1184Cb -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2wbr s ALA 1184CO 0.13 0.06 0.06 -1.21 0.00 0.00 0.00 175.76 174.81 2wbr s GLU 1185N 0.51 1.01 -0.60 0.00 2.02 -0.79 -4.71 118.70 116.14 2wbr s GLU 1185Ca -0.07 -1.50 -0.01 0.00 0.02 0.00 0.00 54.97 53.41 2wbr s GLU 1185Cb -0.11 0.17 0.15 0.00 0.10 0.00 0.00 34.13 34.45 2wbr s GLU 1185CO 0.00 -0.27 0.40 -1.54 0.02 0.00 0.00 175.26 173.87 2wbr s SER 1186N -3.09 5.00 0.82 -0.19 1.04 -1.26 -2.07 113.70 113.95 2wbr s SER 1186Ca 0.27 -2.92 -0.12 0.00 0.48 0.00 0.00 55.95 53.66 2wbr s SER 1186Cb 0.07 -1.80 0.09 0.00 0.10 0.00 0.00 66.02 64.48 2wbr s SER 1186CO 0.04 -0.33 1.18 -2.16 0.98 0.00 0.00 173.24 172.95 2wbr s PRO 1187N -0.16 1.60 0.76 4.02 0.04 -1.26 -4.98 135.00 135.03 2wbr s PRO 1187Ca 0.17 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 2wbr s PRO 1187Cb -0.22 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2wbr s PRO 1187CO -0.03 -2.22 1.10 -1.12 0.04 0.00 0.00 177.00 174.78 2wbr s SER 1188N -2.39 4.50 0.31 6.66 0.01 -1.26 -4.76 113.70 116.77 2wbr s SER 1188Ca 0.70 1.90 -0.00 0.00 1.31 0.00 0.00 55.95 59.86 2wbr s SER 1188Cb -0.26 -2.53 0.51 0.00 0.21 0.00 0.00 66.02 63.95 2wbr s SER 1188CO 0.52 -2.04 1.94 -0.08 0.41 0.00 0.00 173.24 173.99 2wbr h GLU 1189N -0.93 1.01 -0.82 12.44 4.81 -1.98 0.24 114.58 129.36 2wbr h GLU 1189Ca -0.44 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2wbr h GLU 1189Cb 1.24 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 2wbr h GLU 1189CO 0.51 0.67 0.37 -0.91 -0.73 0.00 0.00 179.01 178.92 2wbr h ASN 1190N 1.04 1.09 -0.35 1.04 2.35 -2.00 -2.30 115.58 116.45 2wbr h ASN 1190Ca 0.34 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 2wbr h ASN 1190Cb 0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2wbr h ASN 1190CO -0.10 0.93 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.17 2wbr h GLU 1191N 1.17 0.79 -0.61 0.81 4.39 -1.21 -2.50 114.58 117.41 2wbr h GLU 1191Ca 0.28 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2wbr h GLU 1191Cb 0.15 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2wbr h GLU 1191CO -0.03 0.86 0.27 0.28 -1.16 0.00 0.00 179.01 179.23 2wbr h VAL 1192N 0.71 1.22 -0.73 3.13 2.07 -0.38 -2.51 116.25 119.76 2wbr h VAL 1192Ca 0.12 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2wbr h VAL 1192Cb 0.58 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2wbr h VAL 1192CO 0.04 0.26 0.43 -0.61 0.02 0.00 0.00 177.57 177.71 2wbr h GLN 1193N 0.85 0.99 -0.54 1.57 4.15 -1.15 -2.26 115.11 118.72 2wbr h GLN 1193Ca 0.21 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 2wbr h GLN 1193Cb 0.16 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 2wbr h GLN 1193CO -0.02 0.71 0.23 0.66 -1.93 0.00 0.00 178.83 178.48 2wbr h SER 1194N 1.00 0.69 -0.05 -0.69 4.64 -1.15 -1.33 113.55 116.66 2wbr h SER 1194Ca 0.26 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2wbr h SER 1194Cb -0.02 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2wbr h SER 1194CO -0.05 0.61 0.01 0.40 -0.87 0.00 0.00 176.83 176.94 2wbr h ILE 1195N 0.76 1.19 -0.42 0.95 2.04 -1.01 -3.02 117.51 118.01 2wbr h ILE 1195Ca 0.19 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2wbr h ILE 1195Cb 0.12 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2wbr h ILE 1195CO -0.02 0.16 0.23 0.24 0.00 0.00 0.00 178.15 178.75 2wbr h MET 1196N -0.13 0.56 -5.66 2.37 2.86 -1.00 -3.40 114.93 110.53 2wbr h MET 1196Ca 0.02 -0.05 -0.58 0.00 -2.06 0.00 0.00 59.70 57.03 2wbr h MET 1196Cb 0.24 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.69 2wbr h MET 1196CO 0.00 0.42 -0.19 -1.14 1.06 0.00 0.00 176.91 177.06 2wbr s GLN 1197N -5.41 4.32 0.00 1.72 2.00 -0.54 -5.12 119.66 116.63 2wbr s GLN 1197Ca -0.08 0.35 0.32 0.00 -2.00 0.00 0.00 55.36 53.95 2wbr s GLN 1197Cb 0.17 -3.44 1.90 0.00 0.80 0.00 0.00 33.01 32.44 2wbr s GLN 1197CO 0.74 0.18 2.22 0.72 -0.50 0.00 0.00 175.29 178.65