#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqt s ARG 1070N 0.00 0.30 0.20 7.34 3.52 -1.26 -4.53 118.95 124.52 2rqt s ARG 1070Ca 0.00 0.57 0.09 0.00 -0.13 0.00 0.00 55.73 56.26 2rqt s ARG 1070Cb 0.00 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 2rqt s ARG 1070CO 0.00 -0.30 -0.06 1.03 -0.81 0.00 0.00 175.30 175.16 2rqt s ARG 1071N 2.86 2.15 -0.02 5.12 3.00 -1.26 -0.69 118.95 130.12 2rqt s ARG 1071Ca 0.04 -1.29 0.03 0.00 0.00 0.00 0.00 55.73 54.51 2rqt s ARG 1071Cb -0.11 -2.18 -0.00 0.00 0.00 0.00 0.00 34.95 32.66 2rqt s ARG 1071CO -0.14 0.42 -0.10 0.14 0.00 0.00 0.00 175.30 175.62 2rqt s VAL 1072N -1.87 0.81 -0.43 3.52 -7.23 0.49 -1.00 120.40 114.69 2rqt s VAL 1072Ca 0.27 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.91 2rqt s VAL 1072Cb -0.08 -0.70 0.07 0.00 0.56 0.00 0.00 36.38 36.23 2rqt s VAL 1072CO 0.17 0.24 0.30 -0.75 -0.31 0.00 0.00 175.10 174.75 2rqt s LYS 1073N -0.03 2.79 0.13 4.82 2.47 0.11 -0.62 119.74 129.41 2rqt s LYS 1073Ca 0.00 -1.35 -0.34 0.00 -1.56 0.00 0.00 55.97 52.73 2rqt s LYS 1073Cb -0.06 -3.91 -0.14 0.00 -1.46 0.00 0.00 37.83 32.26 2rqt s LYS 1073CO 0.00 -0.94 1.60 0.25 0.16 0.00 0.00 175.35 176.43 2rqt n THR 1074N 5.04 0.06 0.32 3.43 -2.24 -0.75 0.34 114.28 120.49 2rqt n THR 1074Ca -0.11 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.70 2rqt n THR 1074Cb 0.44 -1.55 0.04 0.00 -2.10 0.00 0.00 70.33 67.16 2rqt n THR 1074CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2rqt n ILE 1075N 3.58 0.10 -4.06 2.28 -5.35 0.02 -0.46 119.36 115.48 2rqt n ILE 1075Ca 0.18 -0.55 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 2rqt n ILE 1075Cb 0.29 1.12 -0.12 0.00 -1.74 0.00 0.00 39.64 39.18 2rqt n ILE 1075CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2rqt s TYR 1076N -0.76 0.50 0.02 4.28 2.02 -1.06 -4.82 117.35 117.53 2rqt s TYR 1076Ca 0.11 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 2rqt s TYR 1076Cb 0.08 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 2rqt s TYR 1076CO 0.11 -0.08 1.10 0.34 -1.57 0.00 0.00 175.55 175.45 2rqt s ASP 1077N -1.09 7.20 -0.27 2.29 2.15 -1.26 -3.81 116.67 121.88 2rqt s ASP 1077Ca -0.07 1.84 0.01 0.00 0.43 0.00 0.00 52.55 54.76 2rqt s ASP 1077Cb -0.07 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.05 2rqt s ASP 1077CO -0.00 -0.39 0.00 0.00 -0.17 0.00 0.00 175.17 174.62 2rqt s GLN 1079N 1.35 3.67 0.55 0.00 -0.21 -1.26 -2.36 119.66 121.40 2rqt s GLN 1079Ca 0.01 -1.87 -0.22 0.00 0.02 0.00 0.00 55.36 53.30 2rqt s GLN 1079Cb -0.18 -4.94 -0.05 0.00 1.00 0.00 0.00 33.01 28.83 2rqt s GLN 1079CO -0.11 -1.78 1.35 0.00 -2.12 0.00 0.00 175.29 172.64 2rqt s ALA 1080N 2.56 2.80 -0.05 6.09 0.00 -1.26 -4.95 121.76 126.93 2rqt s ALA 1080Ca 0.34 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.65 2rqt s ALA 1080Cb -0.04 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 2rqt s ALA 1080CO -0.08 -1.38 -0.02 -3.47 0.00 0.00 0.00 175.76 170.81 2rqt n ASP 1081N -1.07 3.70 -4.84 0.00 2.03 -1.26 -4.96 116.55 110.15 2rqt n ASP 1081Ca 0.11 -0.02 -0.37 0.00 0.52 0.00 0.00 54.79 55.03 2rqt n ASP 1081Cb 0.45 0.24 -0.06 0.00 -0.72 0.00 0.00 41.12 41.03 2rqt n ASP 1081CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2rqt s ASN 1082N -4.09 6.83 0.63 1.67 2.47 -1.26 -4.97 114.94 116.22 2rqt s ASN 1082Ca -0.05 1.01 0.39 0.00 0.42 0.00 0.00 52.86 54.63 2rqt s ASN 1082Cb 0.02 -2.27 2.10 0.00 -1.45 0.00 0.00 41.25 39.65 2rqt s ASN 1082CO 0.16 0.25 2.28 -0.78 -3.72 0.00 0.00 177.10 175.29 2rqt h ASP 1083N 4.29 0.00 1.01 -4.21 3.58 -2.01 0.12 116.42 119.20 2rqt h ASP 1083Ca -0.50 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.84 2rqt h ASP 1083Cb 1.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2rqt h ASP 1083CO 0.63 0.01 -0.51 0.44 -2.88 0.00 0.00 179.24 176.94 2rqt h ASP 1084N 0.00 0.00 -3.88 2.28 3.32 -1.93 -3.45 116.42 112.77 2rqt h ASP 1084Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2rqt h ASP 1084Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2rqt h ASP 1084CO 0.00 0.51 0.36 -1.61 -1.72 0.00 0.00 179.24 176.78 2rqt s GLU 1085N -3.33 4.58 0.06 3.56 2.02 0.41 -0.68 118.70 125.33 2rqt s GLU 1085Ca 0.01 1.38 -0.15 0.00 0.02 0.00 0.00 54.97 56.23 2rqt s GLU 1085Cb 0.10 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 2rqt s GLU 1085CO 0.73 0.26 0.48 -1.17 0.02 0.00 0.00 175.26 175.58 2rqt s LEU 1086N -2.00 4.45 -0.19 1.80 2.96 -0.06 -4.79 118.68 120.85 2rqt s LEU 1086Ca 0.50 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2rqt s LEU 1086Cb -0.20 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 2rqt s LEU 1086CO 0.26 0.25 0.06 -0.89 -1.32 0.00 0.00 176.35 174.71 2rqt s THR 1087N -1.19 4.66 0.15 3.68 2.01 -1.26 -4.30 115.64 119.39 2rqt s THR 1087Ca 0.29 -0.08 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2rqt s THR 1087Cb -0.17 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.24 2rqt s THR 1087CO 0.17 0.44 0.36 0.72 -0.69 0.00 0.00 174.62 175.61 2rqt s PHE 1088N 0.58 0.10 0.32 4.92 -0.12 -1.00 -5.00 117.98 117.78 2rqt s PHE 1088Ca 0.03 -0.46 0.10 0.00 -0.05 0.00 0.00 56.93 56.55 2rqt s PHE 1088Cb -0.13 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.33 2rqt s PHE 1088CO 0.01 -0.74 -0.13 0.96 -0.05 0.00 0.00 175.22 175.27 2rqt s ILE 1089N -3.89 2.29 -0.30 -4.49 -0.00 -1.26 -0.38 121.20 113.16 2rqt s ILE 1089Ca 0.10 -2.27 -0.28 0.00 -0.00 0.00 0.00 60.65 58.20 2rqt s ILE 1089Cb 0.02 -2.51 -0.04 0.00 -0.00 0.00 0.00 42.46 39.94 2rqt s ILE 1089CO -0.05 -0.28 2.05 -1.61 -0.00 0.00 0.00 174.94 175.05 2rqt s GLU 1090N -3.58 3.10 0.00 0.37 8.01 -1.25 -1.91 118.70 123.44 2rqt s GLU 1090Ca 0.31 1.67 0.00 0.00 0.01 0.00 0.00 54.97 56.96 2rqt s GLU 1090Cb -0.00 -4.32 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 2rqt s GLU 1090CO 0.16 -2.13 0.00 0.41 0.01 0.00 0.00 175.26 173.70 2rqt n GLY 1091N 5.64 1.41 3.79 -1.39 0.00 0.40 -4.96 105.19 110.08 2rqt n GLY 1091Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2rqt n GLY 1091CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqt s GLU 1092N -0.07 3.91 -0.12 1.61 2.56 -0.80 -4.89 118.70 120.89 2rqt s GLU 1092Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.97 54.72 2rqt s GLU 1092Cb 0.00 -3.32 -0.04 0.00 2.00 0.00 0.00 34.13 32.78 2rqt s GLU 1092CO 0.00 0.50 0.59 0.08 -0.56 0.00 0.00 175.26 175.87 2rqt s VAL 1093N -0.26 5.10 -0.14 3.70 1.01 -1.26 -1.81 120.40 126.73 2rqt s VAL 1093Ca 0.14 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 2rqt s VAL 1093Cb -0.12 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2rqt s VAL 1093CO 0.03 0.24 -0.07 -0.63 0.00 0.00 0.00 175.10 174.67 2rqt s ILE 1094N 1.04 3.61 -0.32 2.22 1.01 0.21 -0.10 121.20 128.88 2rqt s ILE 1094Ca 0.30 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 2rqt s ILE 1094Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 2rqt s ILE 1094CO 0.13 0.51 0.45 -0.63 0.00 0.00 0.00 174.94 175.40 2rqt s ILE 1095N 0.25 5.09 -0.23 2.92 1.01 0.53 -0.38 121.20 130.40 2rqt s ILE 1095Ca -0.05 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 2rqt s ILE 1095Cb -0.14 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 2rqt s ILE 1095CO 0.04 -0.07 1.39 -0.69 0.00 0.00 0.00 174.94 175.61 2rqt s VAL 1096N 2.22 4.03 -0.80 2.92 1.01 0.13 -1.68 120.40 128.23 2rqt s VAL 1096Ca 0.17 1.19 0.10 0.00 0.00 0.00 0.00 61.98 63.44 2rqt s VAL 1096Cb -0.16 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2rqt s VAL 1096CO 0.12 -0.32 0.58 0.35 0.00 0.00 0.00 175.10 175.83 2rqt n THR 1097N 6.00 0.00 -3.94 3.92 -2.24 0.55 -4.62 114.28 113.94 2rqt n THR 1097Ca 0.16 -0.36 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 2rqt n THR 1097Cb 0.46 1.09 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 2rqt n THR 1097CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rqt s GLY 1098N -1.51 -0.21 0.24 3.38 0.00 0.15 -4.92 107.32 104.44 2rqt s GLY 1098Ca 0.07 0.20 0.11 0.00 0.00 0.00 0.00 44.72 45.11 2rqt s GLY 1098CO 0.29 5.24 -0.21 -0.54 0.00 0.00 0.00 173.10 177.88 2rqt s GLU 1099N -2.04 1.57 0.07 2.90 8.01 -1.26 -0.09 118.70 127.85 2rqt s GLU 1099Ca 0.28 -1.65 0.00 0.00 0.01 0.00 0.00 54.97 53.61 2rqt s GLU 1099Cb 0.01 -1.70 0.00 0.00 -4.31 0.00 0.00 34.13 28.12 2rqt s GLU 1099CO -0.02 0.33 0.00 0.39 0.01 0.00 0.00 175.26 175.97 2rqt n GLU 1100N -0.26 0.00 -0.25 1.61 -0.58 0.01 -4.67 120.64 116.49 2rqt n GLU 1100Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2rqt n GLU 1100Cb 0.59 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 2rqt n GLU 1100CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2rqt n ASP 1101N -3.26 0.00 0.11 1.62 2.03 0.58 -4.98 116.55 112.65 2rqt n ASP 1101Ca 0.00 -0.13 -0.01 0.00 0.52 0.00 0.00 54.79 55.16 2rqt n ASP 1101Cb 0.20 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.63 2rqt n ASP 1101CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2rqt h GLN 1102N 0.00 0.00 0.00 -0.67 3.07 -2.02 -3.30 115.11 112.19 2rqt h GLN 1102Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2rqt h GLN 1102Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2rqt h GLN 1102CO 0.00 0.70 -0.00 -0.85 0.09 0.00 0.00 178.83 178.77 2rqt n GLU 1103N -3.41 2.67 -3.71 0.06 0.28 -1.26 -4.87 120.64 110.41 2rqt n GLU 1103Ca 0.00 -1.49 -0.24 0.00 -0.16 0.00 0.00 57.16 55.27 2rqt n GLU 1103Cb 0.77 -0.99 -0.17 0.00 1.43 0.00 0.00 31.44 32.48 2rqt n GLU 1103CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2rqt s TRP 1104N -1.03 0.54 0.38 -1.84 0.52 -1.24 -1.06 118.94 115.21 2rqt s TRP 1104Ca 0.02 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 55.92 2rqt s TRP 1104Cb 0.02 -0.78 -0.06 0.00 -1.15 0.00 0.00 33.47 31.50 2rqt s TRP 1104CO 0.00 -0.41 0.06 -1.58 0.02 0.00 0.00 176.95 175.04 2rqt s TRP 1105N 2.02 2.55 -0.04 -1.98 0.51 -0.72 -0.31 118.94 120.97 2rqt s TRP 1105Ca 0.03 -0.55 0.04 0.00 -2.12 0.00 0.00 56.10 53.50 2rqt s TRP 1105Cb -0.14 -1.72 -0.03 0.00 -0.81 0.00 0.00 33.47 30.77 2rqt s TRP 1105CO -0.06 0.38 -0.15 0.42 -0.51 0.00 0.00 176.95 177.02 2rqt s ILE 1106N -2.60 2.99 0.00 2.03 1.01 0.87 -0.40 121.20 125.10 2rqt s ILE 1106Ca 0.37 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2rqt s ILE 1106Cb 0.04 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2rqt s ILE 1106CO 0.20 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.32 2rqt n GLY 1107N 2.25 1.57 3.22 6.18 0.00 -0.48 -0.33 105.19 117.61 2rqt n GLY 1107Ca -0.17 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2rqt n GLY 1107CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rqt s HIS 1108N -1.60 -0.05 0.07 1.61 -3.43 -0.68 -1.50 115.29 109.70 2rqt s HIS 1108Ca 0.00 -0.09 -0.31 0.00 -0.80 0.00 0.00 55.06 53.86 2rqt s HIS 1108Cb 0.00 0.05 -0.06 0.00 -1.43 0.00 0.00 32.58 31.14 2rqt s HIS 1108CO 0.00 -0.46 1.25 0.42 -2.00 0.00 0.00 174.74 173.95 2rqt s ILE 1109N -2.42 3.86 0.28 -5.38 -1.09 0.87 -0.34 121.20 116.98 2rqt s ILE 1109Ca -0.06 1.33 -0.29 0.00 -2.23 0.00 0.00 60.65 59.40 2rqt s ILE 1109Cb -0.01 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 2rqt s ILE 1109CO -0.03 0.10 1.07 -0.70 -1.23 0.00 0.00 174.94 174.15 2rqt s GLU 1110N 1.14 4.64 0.00 2.79 2.56 0.86 -2.27 118.70 128.42 2rqt s GLU 1110Ca 0.60 1.73 0.00 0.00 0.00 0.00 0.00 54.97 57.31 2rqt s GLU 1110Cb -0.31 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.66 2rqt s GLU 1110CO 0.29 0.24 0.00 0.41 -0.56 0.00 0.00 175.26 175.64 2rqt n GLY 1111N 1.18 2.61 2.40 -1.50 0.00 -1.26 -4.71 105.19 103.90 2rqt n GLY 1111Ca -0.01 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 2rqt n GLY 1111CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rqt n GLN 1112N 0.00 0.33 0.00 1.61 7.27 -1.16 -4.99 117.38 120.44 2rqt n GLN 1112Ca 0.00 -3.26 0.00 0.00 0.07 0.00 0.00 57.00 53.81 2rqt n GLN 1112Cb 0.00 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 30.98 2rqt n GLN 1112CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2rqt n PRO 1113N 2.66 0.63 0.14 3.69 -0.04 -0.96 -1.96 135.00 139.15 2rqt n PRO 1113Ca 0.29 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2rqt n PRO 1113Cb 0.48 -1.13 0.07 0.00 -0.04 0.00 0.00 33.50 32.87 2rqt n PRO 1113CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2rqt h GLU 1114N 0.15 0.00 -5.49 0.54 4.39 -1.94 -3.41 114.58 108.81 2rqt h GLU 1114Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 2rqt h GLU 1114Cb 0.13 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.63 2rqt h GLU 1114CO 0.00 0.00 0.98 1.03 -1.16 0.00 0.00 179.01 179.86 2rqt s ARG 1115N -3.30 3.48 0.35 2.33 0.52 -0.83 -4.99 118.95 116.51 2rqt s ARG 1115Ca 0.02 -1.32 0.05 0.00 -0.52 0.00 0.00 55.73 53.96 2rqt s ARG 1115Cb 0.08 -4.87 -0.07 0.00 0.52 0.00 0.00 34.95 30.62 2rqt s ARG 1115CO 0.75 -1.93 0.05 0.15 0.02 0.00 0.00 175.30 174.34 2rqt s LYS 1116N 3.77 1.75 0.00 3.54 1.02 -1.26 -0.09 119.74 128.47 2rqt s LYS 1116Ca 0.35 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.36 2rqt s LYS 1116Cb -0.06 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.18 2rqt s LYS 1116CO -0.05 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 2rqt n GLY 1117N -0.77 0.78 3.85 -3.33 0.00 -0.57 -4.64 105.19 100.51 2rqt n GLY 1117Ca -0.03 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 2rqt n GLY 1117CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rqt s VAL 1118N -3.63 5.06 -0.01 1.61 -7.23 0.15 -1.38 120.40 114.97 2rqt s VAL 1118Ca 0.00 0.68 0.01 0.00 -1.81 0.00 0.00 61.98 60.87 2rqt s VAL 1118Cb 0.00 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.27 2rqt s VAL 1118CO 0.00 0.47 -0.03 0.72 -0.31 0.00 0.00 175.10 175.95 2rqt s PHE 1119N -1.20 0.38 -0.02 2.82 -0.71 0.46 -0.88 117.98 118.83 2rqt s PHE 1119Ca 0.27 -0.06 -0.30 0.00 -1.04 0.00 0.00 56.93 55.80 2rqt s PHE 1119Cb -0.16 -0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 41.29 2rqt s PHE 1119CO 0.15 -0.05 1.56 -1.25 -1.34 0.00 0.00 175.22 174.29 2rqt s PRO 1120N 0.24 4.21 0.50 1.99 0.04 -1.26 -1.76 135.00 138.97 2rqt s PRO 1120Ca -0.02 2.12 0.20 0.00 0.04 0.00 0.00 61.00 63.34 2rqt s PRO 1120Cb -0.05 -3.79 1.28 0.00 0.04 0.00 0.00 34.50 31.98 2rqt s PRO 1120CO -0.00 -0.75 2.08 0.28 0.04 0.00 0.00 177.00 178.65 2rqt h VAL 1121N 5.25 0.89 0.00 -0.36 2.07 -1.43 -1.71 116.25 120.96 2rqt h VAL 1121Ca -0.39 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2rqt h VAL 1121Cb 1.18 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2rqt h VAL 1121CO 0.94 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 177.43 2rqt n SER 1122N -4.14 0.44 -0.96 0.57 7.64 -1.26 -2.22 113.62 113.68 2rqt n SER 1122Ca -0.03 0.60 0.12 0.00 1.01 0.00 0.00 58.87 60.58 2rqt n SER 1122Cb 0.19 -0.70 0.11 0.00 -1.01 0.00 0.00 64.21 62.80 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rqt n PHE 1123N -1.98 0.06 -4.33 1.43 3.01 -0.64 -4.96 117.46 110.05 2rqt n PHE 1123Ca 0.03 -0.03 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 2rqt n PHE 1123Cb 0.22 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.57 2rqt n PHE 1123CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2rqt s VAL 1124N -1.90 1.81 -0.38 -4.37 -7.23 -0.94 -0.80 120.40 106.59 2rqt s VAL 1124Ca 0.29 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2rqt s VAL 1124Cb 0.20 -1.80 0.08 0.00 0.56 0.00 0.00 36.38 35.42 2rqt s VAL 1124CO 0.30 -0.27 0.16 -2.28 -0.31 0.00 0.00 175.10 172.70 2rqt s HIS 1125N -1.89 3.43 0.26 2.82 2.46 0.15 -4.81 115.29 117.71 2rqt s HIS 1125Ca 0.14 -2.02 -0.29 0.00 0.47 0.00 0.00 55.06 53.36 2rqt s HIS 1125Cb -0.06 -2.85 -0.09 0.00 -0.13 0.00 0.00 32.58 29.45 2rqt s HIS 1125CO 0.06 -0.89 1.15 0.42 -2.47 0.00 0.00 174.74 173.01 2rqt s ILE 1126N 1.25 3.42 -0.13 0.89 1.01 -1.26 0.04 121.20 126.43 2rqt s ILE 1126Ca 0.03 1.37 0.19 0.00 0.00 0.00 0.00 60.65 62.23 2rqt s ILE 1126Cb -0.22 -3.87 -0.21 0.00 0.01 0.00 0.00 42.46 38.17 2rqt s ILE 1126CO -0.02 0.30 0.55 0.18 0.00 0.00 0.00 174.94 175.96 2rqt n LEU 1127N 1.49 0.44 -1.62 2.97 4.77 -0.17 -4.90 117.00 119.97 2rqt n LEU 1127Ca 0.00 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 2rqt n LEU 1127Cb 0.44 0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 2rqt n LEU 1127CO 0.55 0.19 -0.20 -1.20 -1.33 0.00 0.00 177.39 175.40 2rqt n SER 1128N -2.70 -5.43 0.00 -1.43 7.64 -1.25 -4.97 113.62 105.48 2rqt n SER 1128Ca -0.14 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2rqt n SER 1128Cb 0.85 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36