#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 4.47 0.31 7.34 3.52 -1.26 -4.99 118.95 128.35 2rqt s ARG 1070Ca 0.00 1.07 0.09 0.00 -0.13 0.00 0.00 55.73 56.77 2rqt s ARG 1070Cb 0.00 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 2rqt s ARG 1070CO 0.00 0.52 -0.11 1.03 -0.81 0.00 0.00 175.30 175.93 2rqt s ARG 1071N -1.38 1.71 0.00 5.12 3.00 -1.21 -0.74 118.95 125.45 2rqt s ARG 1071Ca 0.38 -1.85 0.01 0.00 0.00 0.00 0.00 55.73 54.26 2rqt s ARG 1071Cb -0.21 -1.56 -0.01 0.00 0.00 0.00 0.00 34.95 33.17 2rqt s ARG 1071CO 0.24 0.15 -0.04 0.14 0.00 0.00 0.00 175.30 175.80 2rqt s VAL 1072N -2.70 0.26 -0.31 3.52 -7.23 0.96 -0.03 120.40 114.86 2rqt s VAL 1072Ca 0.31 -0.30 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 2rqt s VAL 1072Cb 0.01 -0.25 0.06 0.00 0.56 0.00 0.00 36.38 36.76 2rqt s VAL 1072CO 0.15 -0.03 0.02 -0.75 -0.31 0.00 0.00 175.10 174.17 2rqt s LYS 1073N -0.35 2.26 0.18 4.82 2.36 0.12 -0.07 119.74 129.06 2rqt s LYS 1073Ca -0.02 -1.41 -0.33 0.00 -2.55 0.00 0.00 55.97 51.66 2rqt s LYS 1073Cb -0.03 -3.20 -0.13 0.00 -1.05 0.00 0.00 37.83 33.42 2rqt s LYS 1073CO -0.00 -0.70 1.59 0.25 1.55 0.00 0.00 175.35 178.03 2rqt n THR 1074N 4.56 0.11 0.24 3.43 -2.24 -0.03 -0.25 114.28 120.10 2rqt n THR 1074Ca -0.10 -0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.68 2rqt n THR 1074Cb 0.43 -1.62 0.02 0.00 -2.10 0.00 0.00 70.33 67.06 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 3.34 0.00 -4.08 2.28 -5.35 -0.41 -0.79 119.36 114.35 2rqt n ILE 1075Ca 0.16 -0.50 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 2rqt n ILE 1075Cb 0.30 1.12 -0.10 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.48 0.54 0.10 4.28 2.02 -1.05 -4.82 117.35 117.94 2rqt s TYR 1076Ca 0.07 -0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 55.56 2rqt s TYR 1076Cb 0.05 -0.37 -0.06 0.00 -0.40 0.00 0.00 41.96 41.17 2rqt s TYR 1076CO 0.07 -0.29 1.04 0.34 -1.57 0.00 0.00 175.55 175.15 2rqt s ASP 1077N -2.58 7.34 -0.33 2.29 2.15 -1.26 -3.28 116.67 121.00 2rqt s ASP 1077Ca 0.02 1.89 0.03 0.00 0.43 0.00 0.00 52.55 54.93 2rqt s ASP 1077Cb 0.03 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.16 2rqt s ASP 1077CO -0.07 -0.21 0.05 0.00 -0.17 0.00 0.00 175.17 174.78 2rqt s GLN 1079N 1.04 3.55 -0.45 0.00 -0.21 -1.26 -3.08 119.66 119.24 2rqt s GLN 1079Ca 0.10 -1.09 -0.28 0.00 0.02 0.00 0.00 55.36 54.11 2rqt s GLN 1079Cb -0.19 -5.22 -0.01 0.00 1.00 0.00 0.00 33.01 28.59 2rqt s GLN 1079CO -0.11 -2.17 1.69 0.00 -2.12 0.00 0.00 175.29 172.57 2rqt s ALA 1080N 4.88 2.71 -0.05 6.09 0.00 -1.26 -4.82 121.76 129.30 2rqt s ALA 1080Ca 0.44 -0.20 0.12 0.00 0.00 0.00 0.00 51.96 52.32 2rqt s ALA 1080Cb -0.01 -4.09 -0.07 0.00 0.00 0.00 0.00 23.12 18.94 2rqt s ALA 1080CO -0.08 -2.97 1.25 0.22 0.00 0.00 0.00 175.76 174.19 2rqt h ASP 1081N 12.76 0.00 -2.96 0.00 3.58 -1.92 -3.44 116.42 124.44 2rqt h ASP 1081Ca -0.29 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.53 2rqt h ASP 1081Cb 1.14 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.12 2rqt h ASP 1081CO 1.11 0.71 -0.34 0.21 -2.88 0.00 0.00 179.24 178.06 2rqt s ASN 1082N -6.43 6.56 0.14 2.28 2.47 -1.26 -4.97 114.94 113.73 2rqt s ASN 1082Ca 0.01 0.66 0.21 0.00 0.42 0.00 0.00 52.86 54.17 2rqt s ASN 1082Cb 0.09 -2.17 0.85 0.00 -1.45 0.00 0.00 41.25 38.57 2rqt s ASN 1082CO 0.78 0.30 1.64 -0.67 -3.72 0.00 0.00 177.10 175.44 2rqt n ASP 1083N 2.34 0.38 0.12 -4.21 2.03 -1.26 -0.91 116.55 115.05 2rqt n ASP 1083Ca -0.16 0.58 0.12 0.00 0.52 0.00 0.00 54.79 55.86 2rqt n ASP 1083Cb 0.53 -0.67 0.25 0.00 -0.72 0.00 0.00 41.12 40.51 2rqt n ASP 1083CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2rqt h ASP 1084N 0.00 0.00 -3.55 1.67 3.58 -1.95 -3.45 116.42 112.72 2rqt h ASP 1084Ca 0.00 -0.05 -0.51 0.00 0.42 0.00 0.00 57.03 56.89 2rqt h ASP 1084Cb 0.37 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2rqt h ASP 1084CO 0.00 0.02 0.00 -1.61 -2.88 0.00 0.00 179.24 174.78 2rqt s GLU 1085N -3.17 3.83 0.01 0.28 2.02 -0.09 -2.00 118.70 119.58 2rqt s GLU 1085Ca 0.08 0.40 -0.14 0.00 0.02 0.00 0.00 54.97 55.32 2rqt s GLU 1085Cb 0.10 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 2rqt s GLU 1085CO 0.66 0.16 0.42 -1.17 0.02 0.00 0.00 175.26 175.35 2rqt s LEU 1086N -3.25 4.47 -0.29 1.80 2.96 -0.07 -4.79 118.68 119.51 2rqt s LEU 1086Ca 0.50 0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 55.28 2rqt s LEU 1086Cb -0.11 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 2rqt s LEU 1086CO 0.24 0.31 0.14 0.42 -1.32 0.00 0.00 176.35 176.14 2rqt s THR 1087N -1.11 4.73 0.17 3.68 -4.23 -1.26 -4.28 115.64 113.34 2rqt s THR 1087Ca 0.25 -0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 2rqt s THR 1087Cb -0.17 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 2rqt s THR 1087CO 0.14 0.18 0.24 0.72 -0.54 0.00 0.00 174.62 175.36 2rqt s PHE 1088N 1.66 0.57 0.30 3.99 -0.12 -1.18 -5.02 117.98 118.18 2rqt s PHE 1088Ca 0.06 -0.92 0.07 0.00 -0.05 0.00 0.00 56.93 56.09 2rqt s PHE 1088Cb -0.16 -0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 42.00 2rqt s PHE 1088CO 0.07 -0.70 -0.06 0.96 -0.05 0.00 0.00 175.22 175.44 2rqt s ILE 1089N -4.01 1.74 -0.26 -4.49 -0.00 -1.26 -1.20 121.20 111.71 2rqt s ILE 1089Ca 0.22 -2.13 -0.37 0.00 -0.00 0.00 0.00 60.65 58.37 2rqt s ILE 1089Cb 0.04 -2.53 -0.13 0.00 -0.00 0.00 0.00 42.46 39.84 2rqt s ILE 1089CO 0.03 -0.25 1.95 -0.62 -0.00 0.00 0.00 174.94 176.05 2rqt n GLU 1090N -0.64 1.37 0.00 0.37 4.71 -1.20 -2.49 120.64 122.75 2rqt n GLU 1090Ca -0.05 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 2rqt n GLU 1090Cb 0.64 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 2rqt n GLU 1090CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rqt n GLY 1091N 5.16 1.08 3.87 0.62 0.00 0.03 -4.97 105.19 110.98 2rqt n GLY 1091Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2rqt n GLY 1091CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rqt s GLU 1092N -0.04 3.66 -0.20 1.61 2.02 -1.04 -4.86 118.70 119.85 2rqt s GLU 1092Ca 0.00 0.08 -0.10 0.00 0.02 0.00 0.00 54.97 54.97 2rqt s GLU 1092Cb 0.00 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 2rqt s GLU 1092CO 0.00 0.68 0.13 0.08 0.02 0.00 0.00 175.26 176.17 2rqt s VAL 1093N -1.19 5.37 -0.06 2.63 1.01 -1.26 -0.85 120.40 126.06 2rqt s VAL 1093Ca 0.24 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.45 2rqt s VAL 1093Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2rqt s VAL 1093CO 0.13 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.82 2rqt s ILE 1094N 0.42 2.42 -0.24 2.22 1.01 0.90 -0.28 121.20 127.65 2rqt s ILE 1094Ca 0.08 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.60 2rqt s ILE 1094Cb -0.11 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2rqt s ILE 1094CO -0.01 0.57 0.52 -0.63 0.00 0.00 0.00 174.94 175.39 2rqt s ILE 1095N -0.35 5.08 -0.37 2.92 1.01 0.51 -0.03 121.20 129.97 2rqt s ILE 1095Ca 0.02 0.92 -0.28 0.00 0.00 0.00 0.00 60.65 61.31 2rqt s ILE 1095Cb -0.12 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2rqt s ILE 1095CO 0.02 0.12 1.72 -0.69 0.00 0.00 0.00 174.94 176.11 2rqt s VAL 1096N 2.08 3.56 -0.09 2.92 1.01 0.08 -1.65 120.40 128.30 2rqt s VAL 1096Ca 0.22 0.55 0.20 0.00 0.00 0.00 0.00 61.98 62.96 2rqt s VAL 1096Cb -0.16 -3.78 -0.31 0.00 0.00 0.00 0.00 36.38 32.13 2rqt s VAL 1096CO 0.09 -0.52 0.33 0.35 0.00 0.00 0.00 175.10 175.35 2rqt n THR 1097N 7.33 0.49 -3.96 3.92 -2.24 0.10 -4.46 114.28 115.47 2rqt n THR 1097Ca 0.21 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 2rqt n THR 1097Cb 0.47 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 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 -4.85 0.66 -0.07 3.38 0.00 0.52 -4.97 107.32 101.99 2rqt s GLY 1098Ca -0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 2rqt s GLY 1098CO 0.88 -0.58 0.11 -0.54 0.00 0.00 0.00 173.10 172.97 2rqt s GLU 1099N -3.36 -0.01 -0.22 2.90 2.02 -1.26 -0.15 118.70 118.62 2rqt s GLU 1099Ca 0.21 0.43 -0.14 0.00 0.02 0.00 0.00 54.97 55.50 2rqt s GLU 1099Cb -0.02 -0.50 -0.18 0.00 0.10 0.00 0.00 34.13 33.52 2rqt s GLU 1099CO 0.12 -0.35 0.02 0.39 0.02 0.00 0.00 175.26 175.46 2rqt n GLU 1100N 5.31 0.62 0.00 1.61 -0.58 -0.43 -4.91 120.64 122.26 2rqt n GLU 1100Ca -0.04 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2rqt n GLU 1100Cb 0.50 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 -4.05 0.00 -0.00 1.62 2.03 0.60 -5.00 116.55 111.75 2rqt n ASP 1101Ca -0.40 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.74 2rqt n ASP 1101Cb 0.85 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.13 2rqt n ASP 1101CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2rqt h GLN 1102N 0.00 0.31 -0.19 -0.67 4.20 -2.02 -3.33 115.11 113.40 2rqt h GLN 1102Ca 0.00 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.35 2rqt h GLN 1102Cb 0.00 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2rqt h GLN 1102CO 0.00 1.07 0.00 -0.85 -0.67 0.00 0.00 178.83 178.38 2rqt n GLU 1103N -4.31 2.57 -3.65 1.46 0.28 -1.26 -4.82 120.64 110.92 2rqt n GLU 1103Ca -0.11 -2.44 -0.28 0.00 -0.16 0.00 0.00 57.16 54.17 2rqt n GLU 1103Cb 0.64 -1.54 -0.16 0.00 1.43 0.00 0.00 31.44 31.81 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 -2.19 0.81 0.40 -1.84 0.52 -1.25 -0.10 118.94 115.28 2rqt s TRP 1104Ca 0.30 -0.99 0.07 0.00 0.02 0.00 0.00 56.10 55.51 2rqt s TRP 1104Cb 0.24 -1.09 -0.06 0.00 -1.15 0.00 0.00 33.47 31.40 2rqt s TRP 1104CO 0.08 -0.74 0.10 -1.58 0.02 0.00 0.00 176.95 174.84 2rqt s TRP 1105N 1.93 2.57 -0.08 -1.98 0.51 -0.78 -0.30 118.94 120.82 2rqt s TRP 1105Ca 0.06 -0.59 0.02 0.00 -2.12 0.00 0.00 56.10 53.47 2rqt s TRP 1105Cb -0.17 -1.84 -0.02 0.00 -0.81 0.00 0.00 33.47 30.63 2rqt s TRP 1105CO -0.23 0.31 -0.13 0.42 -0.51 0.00 0.00 176.95 176.81 2rqt s ILE 1106N -2.62 3.10 0.05 2.03 1.01 0.79 -0.21 121.20 125.35 2rqt s ILE 1106Ca 0.38 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 2rqt s ILE 1106Cb 0.05 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.37 2rqt s ILE 1106CO 0.21 0.57 1.20 -0.83 0.00 0.00 0.00 174.94 176.08 2rqt s GLY 1107N -0.39 -0.06 0.09 6.18 0.00 -0.35 0.03 107.32 112.81 2rqt s GLY 1107Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.76 2rqt s GLY 1107CO 0.02 4.11 -0.14 -2.38 0.00 0.00 0.00 173.10 174.72 2rqt s HIS 1108N -2.11 1.23 0.12 1.90 -3.43 -0.66 -1.18 115.29 111.16 2rqt s HIS 1108Ca 0.26 -0.51 -0.31 0.00 -0.80 0.00 0.00 55.06 53.70 2rqt s HIS 1108Cb -0.01 -0.68 -0.08 0.00 -1.43 0.00 0.00 32.58 30.38 2rqt s HIS 1108CO 0.01 0.07 1.40 0.42 -2.00 0.00 0.00 174.74 174.64 2rqt s ILE 1109N -1.63 3.25 -0.02 -5.38 -1.09 0.31 -0.36 121.20 116.27 2rqt s ILE 1109Ca 0.01 0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 59.03 2rqt s ILE 1109Cb -0.08 -3.57 -0.08 0.00 -1.58 0.00 0.00 42.46 37.15 2rqt s ILE 1109CO 0.02 0.07 1.94 -1.61 -1.23 0.00 0.00 174.94 174.13 2rqt s GLU 1110N 1.10 3.99 0.00 2.79 0.41 0.62 -1.07 118.70 126.54 2rqt s GLU 1110Ca 0.65 2.43 0.00 0.00 -0.41 0.00 0.00 54.97 57.64 2rqt s GLU 1110Cb -0.37 -4.16 0.00 0.00 -1.78 0.00 0.00 34.13 27.81 2rqt s GLU 1110CO 0.30 -1.12 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 2rqt n GLY 1111N 4.67 2.89 2.44 -1.39 0.00 -1.26 -4.91 105.19 107.63 2rqt n GLY 1111Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 1.80 0.24 1.61 -0.06 -0.23 -4.97 117.38 113.77 2rqt n GLN 1112Ca 0.00 -4.18 0.10 0.00 -2.00 0.00 0.00 57.00 50.92 2rqt n GLN 1112Cb 0.00 -1.96 0.61 0.00 -4.06 0.00 0.00 30.24 24.82 2rqt n GLN 1112CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 2rqt h PRO 1113N 4.44 0.00 0.00 3.69 0.11 -1.91 -1.53 132.00 136.80 2rqt h PRO 1113Ca 0.17 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 2rqt h PRO 1113Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 2rqt h PRO 1113CO 0.69 0.18 -0.47 0.93 -0.21 0.00 0.00 178.00 179.13 2rqt h GLU 1114N 0.00 0.00 -5.98 1.05 3.07 -1.93 -3.37 114.58 107.42 2rqt h GLU 1114Ca -0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.25 2rqt h GLU 1114Cb 0.46 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.29 2rqt h GLU 1114CO 0.02 0.47 1.69 1.03 -1.40 0.00 0.00 179.01 180.82 2rqt s ARG 1115N -3.56 3.64 0.26 2.33 1.81 -0.57 -4.90 118.95 117.95 2rqt s ARG 1115Ca -0.00 -1.38 -0.04 0.00 -1.72 0.00 0.00 55.73 52.59 2rqt s ARG 1115Cb 0.11 -5.40 -0.02 0.00 -0.45 0.00 0.00 34.95 29.19 2rqt s ARG 1115CO 0.71 -2.34 0.31 -1.59 -0.68 0.00 0.00 175.30 171.72 2rqt s LYS 1116N 4.87 1.51 0.00 3.54 -2.85 -1.26 -0.53 119.74 125.02 2rqt s LYS 1116Ca 0.51 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 2rqt s LYS 1116Cb 0.01 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2rqt s LYS 1116CO -0.03 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.26 2rqt n GLY 1117N -0.40 0.36 3.80 0.59 0.00 -0.33 -4.67 105.19 104.54 2rqt n GLY 1117Ca 0.01 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.39 4.61 -0.00 1.61 -7.23 -0.85 -1.21 120.40 113.93 2rqt s VAL 1118Ca 0.00 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 2rqt s VAL 1118Cb 0.00 -3.99 -0.00 0.00 0.56 0.00 0.00 36.38 32.95 2rqt s VAL 1118CO 0.00 0.54 -0.01 0.72 -0.31 0.00 0.00 175.10 176.04 2rqt s PHE 1119N -1.07 0.07 -0.05 2.82 -0.71 0.70 -0.89 117.98 118.86 2rqt s PHE 1119Ca 0.32 -0.01 -0.30 0.00 -1.04 0.00 0.00 56.93 55.90 2rqt s PHE 1119Cb -0.21 -0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.50 2rqt s PHE 1119CO 0.22 -0.00 1.53 -1.25 -1.34 0.00 0.00 175.22 174.37 2rqt s PRO 1120N 0.00 4.22 0.53 1.99 0.04 -1.26 -1.86 135.00 138.66 2rqt s PRO 1120Ca 0.00 2.07 0.31 0.00 0.04 0.00 0.00 61.00 63.42 2rqt s PRO 1120Cb -0.01 -3.81 1.37 0.00 0.04 0.00 0.00 34.50 32.09 2rqt s PRO 1120CO -0.00 -0.75 2.00 0.28 0.04 0.00 0.00 177.00 178.57 2rqt h VAL 1121N 5.32 0.23 0.00 -0.36 2.07 -0.82 -1.49 116.25 121.21 2rqt h VAL 1121Ca -0.37 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2rqt h VAL 1121Cb 1.17 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2rqt h VAL 1121CO 0.94 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 177.07 2rqt n SER 1122N -3.25 0.24 -0.78 0.57 3.41 -1.26 -2.37 113.62 110.18 2rqt n SER 1122Ca -0.00 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 2rqt n SER 1122Cb 0.30 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 63.73 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2rqt n PHE 1123N -1.75 0.00 -4.32 7.33 3.01 -0.56 -4.97 117.46 116.19 2rqt n PHE 1123Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.26 2rqt n PHE 1123Cb 0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.74 1.85 -0.45 -4.37 -7.23 -1.00 -1.29 120.40 106.17 2rqt s VAL 1124Ca 0.23 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 2rqt s VAL 1124Cb 0.17 -1.73 0.10 0.00 0.56 0.00 0.00 36.38 35.47 2rqt s VAL 1124CO 0.27 -0.13 0.31 -2.28 -0.31 0.00 0.00 175.10 172.97 2rqt s HIS 1125N -1.47 3.37 0.36 2.82 2.46 0.66 -4.83 115.29 118.66 2rqt s HIS 1125Ca 0.11 -1.65 -0.28 0.00 0.47 0.00 0.00 55.06 53.72 2rqt s HIS 1125Cb -0.09 -3.24 -0.10 0.00 -0.13 0.00 0.00 32.58 29.03 2rqt s HIS 1125CO 0.06 -0.92 1.26 0.42 -2.47 0.00 0.00 174.74 173.09 2rqt s ILE 1126N 1.41 2.85 -0.34 0.89 1.01 -1.26 0.13 121.20 125.90 2rqt s ILE 1126Ca 0.04 0.81 -0.07 0.00 0.00 0.00 0.00 60.65 61.43 2rqt s ILE 1126Cb -0.25 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 38.76 2rqt s ILE 1126CO 0.01 0.16 0.12 -0.76 0.00 0.00 0.00 174.94 174.47 2rqt s LEU 1127N -2.03 4.31 -0.56 2.97 1.43 0.96 -4.86 118.68 120.90 2rqt s LEU 1127Ca 0.52 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2rqt s LEU 1127Cb -0.37 -1.90 0.54 0.00 0.03 0.00 0.00 46.19 44.49 2rqt s LEU 1127CO 0.48 -0.31 1.95 -1.54 0.23 0.00 0.00 176.35 177.16 2rqt n SER 1128N 4.86 5.83 -0.14 2.29 3.41 -1.26 -3.32 113.62 125.30 2rqt n SER 1128Ca -0.13 -3.72 0.02 0.00 -0.26 0.00 0.00 58.87 54.78 2rqt n SER 1128Cb 0.46 -0.89 0.01 0.00 -0.26 0.00 0.00 64.21 63.53 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21