#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 1.08 0.07 1.45 3.52 -1.26 -4.06 118.95 119.75 2rqt s ARG 1070Ca 0.00 -0.36 0.07 0.00 -0.13 0.00 0.00 55.73 55.31 2rqt s ARG 1070Cb 0.00 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 2rqt s ARG 1070CO 0.00 -0.45 -0.19 1.03 -0.81 0.00 0.00 175.30 174.88 2rqt s ARG 1071N 1.76 1.15 0.11 5.12 0.52 -1.26 -1.16 118.95 125.19 2rqt s ARG 1071Ca 0.01 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.28 2rqt s ARG 1071Cb -0.15 -1.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.98 2rqt s ARG 1071CO -0.07 0.31 -0.14 0.14 0.02 0.00 0.00 175.30 175.56 2rqt s VAL 1072N -1.00 1.32 -0.21 3.52 -7.23 0.67 -0.18 120.40 117.28 2rqt s VAL 1072Ca 0.05 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2rqt s VAL 1072Cb -0.09 -1.48 0.05 0.00 0.56 0.00 0.00 36.38 35.42 2rqt s VAL 1072CO 0.03 -0.38 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.60 2rqt s LYS 1073N -2.52 1.96 0.14 4.82 2.20 0.84 0.06 119.74 127.24 2rqt s LYS 1073Ca 0.07 -0.91 -0.34 0.00 -0.36 0.00 0.00 55.97 54.44 2rqt s LYS 1073Cb -0.06 -2.49 -0.13 0.00 -1.51 0.00 0.00 37.83 33.64 2rqt s LYS 1073CO 0.03 -0.47 1.63 0.25 -0.36 0.00 0.00 175.35 176.43 2rqt n THR 1074N 4.66 0.07 0.37 3.43 -2.24 -0.16 0.26 114.28 120.68 2rqt n THR 1074Ca -0.14 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2rqt n THR 1074Cb 0.46 -1.65 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 3.69 0.00 -4.13 2.28 -5.35 0.71 -0.16 119.36 116.41 2rqt n ILE 1075Ca 0.17 -0.45 -0.16 0.00 -0.27 0.00 0.00 62.75 62.04 2rqt n ILE 1075Cb 0.30 1.14 -0.15 0.00 -1.74 0.00 0.00 39.64 39.19 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 -0.98 0.46 0.19 4.28 2.02 -0.97 -4.84 117.35 117.50 2rqt s TYR 1076Ca 0.08 -0.09 -0.31 0.00 -0.37 0.00 0.00 57.07 56.39 2rqt s TYR 1076Cb 0.07 -0.33 -0.10 0.00 -0.40 0.00 0.00 41.96 41.20 2rqt s TYR 1076CO 0.16 -0.03 1.54 0.34 -1.57 0.00 0.00 175.55 175.99 2rqt s ASP 1077N 0.07 6.59 -0.32 2.29 2.15 -1.26 -4.31 116.67 121.87 2rqt s ASP 1077Ca -0.00 2.64 -0.01 0.00 0.43 0.00 0.00 52.55 55.60 2rqt s ASP 1077Cb -0.04 -2.60 0.12 0.00 -0.30 0.00 0.00 42.92 40.10 2rqt s ASP 1077CO -0.00 -0.80 0.20 0.00 -0.17 0.00 0.00 175.17 174.39 2rqt s GLN 1079N 1.63 3.08 -0.06 0.00 -0.21 -1.26 -1.46 119.66 121.37 2rqt s GLN 1079Ca 0.14 -1.13 -0.39 0.00 0.02 0.00 0.00 55.36 53.99 2rqt s GLN 1079Cb -0.19 -4.22 -0.17 0.00 1.00 0.00 0.00 33.01 29.43 2rqt s GLN 1079CO -0.18 -1.50 1.44 0.00 -2.12 0.00 0.00 175.29 172.93 2rqt n ALA 1080N 6.48 -1.12 0.06 6.09 0.00 -1.22 -4.89 120.51 125.91 2rqt n ALA 1080Ca -0.08 0.49 -0.20 0.00 0.00 0.00 0.00 53.44 53.66 2rqt n ALA 1080Cb 0.44 -2.07 -0.14 0.00 0.00 0.00 0.00 19.45 17.67 2rqt n ALA 1080CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2rqt h ASP 1081N 5.14 0.48 -2.87 0.00 3.58 -1.91 -3.47 116.42 117.36 2rqt h ASP 1081Ca -0.48 -0.73 -0.48 0.00 0.42 0.00 0.00 57.03 55.76 2rqt h ASP 1081Cb 1.34 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.25 2rqt h ASP 1081CO 0.83 1.62 -0.19 0.20 -2.88 0.00 0.00 179.24 178.82 2rqt s ASN 1082N -7.08 6.32 0.45 2.28 0.01 -1.26 -5.00 114.94 110.65 2rqt s ASN 1082Ca -0.13 0.49 0.25 0.00 -0.71 0.00 0.00 52.86 52.76 2rqt s ASN 1082Cb 0.06 -2.05 0.66 0.00 0.41 0.00 0.00 41.25 40.34 2rqt s ASN 1082CO 0.84 -0.28 1.72 -0.78 -1.51 0.00 0.00 177.10 177.10 2rqt h ASP 1083N 0.92 0.00 0.71 -1.22 3.58 -2.02 -2.97 116.42 115.41 2rqt h ASP 1083Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2rqt h ASP 1083Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2rqt h ASP 1083CO 0.62 0.08 -0.53 -0.90 -2.88 0.00 0.00 179.24 175.63 2rqt n ASP 1084N -3.14 0.56 -4.89 2.28 5.75 -1.26 -4.85 116.55 111.00 2rqt n ASP 1084Ca 0.02 -0.02 -0.29 0.00 -0.01 0.00 0.00 54.79 54.50 2rqt n ASP 1084Cb 0.48 0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 2rqt n ASP 1084CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2rqt s GLU 1085N -3.08 3.66 0.01 0.11 2.02 -1.12 -1.90 118.70 118.38 2rqt s GLU 1085Ca 0.09 0.38 -0.08 0.00 0.02 0.00 0.00 54.97 55.38 2rqt s GLU 1085Cb 0.16 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 2rqt s GLU 1085CO 0.70 -0.16 0.30 -1.17 0.02 0.00 0.00 175.26 174.94 2rqt s LEU 1086N -4.38 4.38 -0.22 1.80 2.96 -0.81 -4.71 118.68 117.71 2rqt s LEU 1086Ca 0.50 0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 54.97 2rqt s LEU 1086Cb -0.10 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2rqt s LEU 1086CO 0.40 0.26 0.09 -0.89 -1.32 0.00 0.00 176.35 174.88 2rqt s THR 1087N -1.27 4.71 0.20 3.68 2.01 -1.26 -3.38 115.64 120.34 2rqt s THR 1087Ca 0.27 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 2rqt s THR 1087Cb -0.14 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.24 2rqt s THR 1087CO 0.15 0.38 0.57 0.72 -0.69 0.00 0.00 174.62 175.75 2rqt s PHE 1088N 1.06 -0.25 0.42 4.92 -0.12 -0.54 -4.93 117.98 118.55 2rqt s PHE 1088Ca 0.05 -0.08 0.04 0.00 -0.05 0.00 0.00 56.93 56.89 2rqt s PHE 1088Cb -0.14 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2rqt s PHE 1088CO 0.03 -0.94 0.03 0.96 -0.05 0.00 0.00 175.22 175.25 2rqt s ILE 1089N -3.84 1.47 -0.03 -4.49 -0.00 -1.26 -1.42 121.20 111.63 2rqt s ILE 1089Ca 0.07 -2.00 -0.30 0.00 -0.00 0.00 0.00 60.65 58.42 2rqt s ILE 1089Cb -0.02 -2.66 -0.08 0.00 -0.00 0.00 0.00 42.46 39.70 2rqt s ILE 1089CO -0.04 0.00 2.02 -0.62 -0.00 0.00 0.00 174.94 176.30 2rqt n GLU 1090N -1.00 2.63 0.00 0.37 4.71 -1.26 -2.29 120.64 123.80 2rqt n GLU 1090Ca -0.09 0.93 0.00 0.00 -0.01 0.00 0.00 57.16 57.99 2rqt n GLU 1090Cb 0.67 -3.03 0.00 0.00 -1.01 0.00 0.00 31.44 28.07 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 4.81 1.24 3.70 0.62 0.00 0.78 -4.97 105.19 111.36 2rqt n GLY 1091Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.01 4.45 -0.22 1.61 0.41 -0.97 -4.80 118.70 119.17 2rqt s GLU 1092Ca 0.00 1.50 -0.21 0.00 -0.41 0.00 0.00 54.97 55.85 2rqt s GLU 1092Cb 0.00 -3.50 -0.02 0.00 -1.78 0.00 0.00 34.13 28.83 2rqt s GLU 1092CO 0.00 -0.26 0.66 0.08 -0.49 0.00 0.00 175.26 175.25 2rqt s VAL 1093N 1.65 4.99 -0.13 2.63 1.01 -1.26 -0.99 120.40 128.30 2rqt s VAL 1093Ca 0.52 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 2rqt s VAL 1093Cb -0.22 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2rqt s VAL 1093CO 0.23 0.07 -0.12 -0.63 0.00 0.00 0.00 175.10 174.65 2rqt s ILE 1094N 2.17 3.15 -0.31 2.22 1.01 0.11 -0.34 121.20 129.21 2rqt s ILE 1094Ca 0.29 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2rqt s ILE 1094Cb -0.16 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 2rqt s ILE 1094CO 0.10 0.52 0.57 -0.63 0.00 0.00 0.00 174.94 175.50 2rqt s ILE 1095N 0.36 4.99 -0.18 2.92 1.01 -0.11 -0.24 121.20 129.95 2rqt s ILE 1095Ca -0.10 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 2rqt s ILE 1095Cb -0.16 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2rqt s ILE 1095CO 0.05 -0.12 1.62 -0.69 0.00 0.00 0.00 174.94 175.81 2rqt s VAL 1096N 2.49 3.68 -0.66 2.92 1.01 -0.31 -1.70 120.40 127.83 2rqt s VAL 1096Ca 0.22 0.78 0.11 0.00 0.00 0.00 0.00 61.98 63.09 2rqt s VAL 1096Cb -0.15 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2rqt s VAL 1096CO 0.12 -0.22 0.52 0.35 0.00 0.00 0.00 175.10 175.87 2rqt n THR 1097N 6.16 0.00 -3.79 3.92 -2.24 0.70 -4.69 114.28 114.34 2rqt n THR 1097Ca 0.18 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2rqt n THR 1097Cb 0.45 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.83 -0.21 -0.02 3.38 0.00 0.25 -4.94 107.32 103.94 2rqt s GLY 1098Ca 0.06 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2rqt s GLY 1098CO 0.39 2.09 -0.08 -0.54 0.00 0.00 0.00 173.10 174.96 2rqt s GLU 1099N -2.37 0.76 -0.20 2.90 8.01 -1.26 -0.14 118.70 126.40 2rqt s GLU 1099Ca 0.20 -0.26 -0.03 0.00 0.01 0.00 0.00 54.97 54.89 2rqt s GLU 1099Cb 0.01 -0.73 -0.11 0.00 -4.31 0.00 0.00 34.13 28.99 2rqt s GLU 1099CO -0.01 0.11 -0.20 0.39 0.01 0.00 0.00 175.26 175.56 2rqt n GLU 1100N 3.20 0.46 -0.65 1.61 -0.58 -0.25 -4.86 120.64 119.58 2rqt n GLU 1100Ca -0.17 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2rqt n GLU 1100Cb 0.55 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -3.37 0.00 0.09 1.62 2.03 0.20 -4.99 116.55 112.13 2rqt n ASP 1101Ca -0.36 -0.45 -0.04 0.00 0.52 0.00 0.00 54.79 54.45 2rqt n ASP 1101Cb 0.84 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.22 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 -0.10 -0.67 3.07 -2.02 -3.29 115.11 112.10 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 0.84 0.00 -0.85 0.09 0.00 0.00 178.83 178.91 2rqt n GLU 1103N -3.46 2.75 -3.63 0.06 0.28 -1.26 -4.82 120.64 110.56 2rqt n GLU 1103Ca -0.00 -1.60 -0.27 0.00 -0.16 0.00 0.00 57.16 55.13 2rqt n GLU 1103Cb 0.82 -1.08 -0.17 0.00 1.43 0.00 0.00 31.44 32.45 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 -0.96 0.40 0.35 -1.84 0.52 -1.24 -1.66 118.94 114.51 2rqt s TRP 1104Ca 0.07 -0.52 0.08 0.00 0.02 0.00 0.00 56.10 55.75 2rqt s TRP 1104Cb 0.03 -0.80 -0.05 0.00 -1.15 0.00 0.00 33.47 31.50 2rqt s TRP 1104CO 0.05 -0.58 0.11 -1.58 0.02 0.00 0.00 176.95 174.96 2rqt s TRP 1105N 2.07 2.65 -0.07 -1.98 0.51 -0.76 -0.63 118.94 120.73 2rqt s TRP 1105Ca 0.02 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.62 2rqt s TRP 1105Cb -0.16 -1.62 -0.02 0.00 -0.81 0.00 0.00 33.47 30.85 2rqt s TRP 1105CO -0.13 0.37 -0.16 0.42 -0.51 0.00 0.00 176.95 176.95 2rqt s ILE 1106N -2.47 2.91 0.00 2.03 1.01 0.80 -0.39 121.20 125.09 2rqt s ILE 1106Ca 0.37 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2rqt s ILE 1106Cb -0.01 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2rqt s ILE 1106CO 0.22 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2rqt n GLY 1107N 2.73 1.72 3.08 6.18 0.00 -0.64 -0.22 105.19 118.05 2rqt n GLY 1107Ca -0.17 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -7.57 0.75 0.15 1.61 -3.43 -0.69 -1.11 115.29 105.00 2rqt s HIS 1108Ca 0.00 -0.54 -0.31 0.00 -0.80 0.00 0.00 55.06 53.42 2rqt s HIS 1108Cb 0.00 -0.44 -0.08 0.00 -1.43 0.00 0.00 32.58 30.63 2rqt s HIS 1108CO 0.00 -0.07 1.36 0.42 -2.00 0.00 0.00 174.74 174.45 2rqt s ILE 1109N -1.60 3.27 0.18 -5.38 -1.09 0.99 -0.94 121.20 116.62 2rqt s ILE 1109Ca -0.07 0.95 -0.33 0.00 -2.23 0.00 0.00 60.65 58.97 2rqt s ILE 1109Cb -0.08 -3.61 -0.13 0.00 -1.58 0.00 0.00 42.46 37.05 2rqt s ILE 1109CO 0.00 0.10 1.64 1.21 -1.23 0.00 0.00 174.94 176.66 2rqt n GLU 1110N 3.46 2.39 0.00 2.79 0.00 0.54 -1.98 120.64 127.84 2rqt n GLU 1110Ca 0.09 0.86 0.00 0.00 0.00 0.00 0.00 57.16 58.12 2rqt n GLU 1110Cb 0.42 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 29.20 2rqt n GLU 1110CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rqt n GLY 1111N 3.64 2.55 2.91 8.31 0.00 -1.26 -4.91 105.19 116.43 2rqt n GLY 1111Ca 0.17 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2rqt n GLY 1111CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rqt s GLN 1112N 0.00 1.81 0.00 1.61 -0.21 -0.84 -4.92 119.66 117.11 2rqt s GLN 1112Ca 0.00 -2.45 0.14 0.00 0.02 0.00 0.00 55.36 53.07 2rqt s GLN 1112Cb 0.00 -3.11 0.81 0.00 1.00 0.00 0.00 33.01 31.71 2rqt s GLN 1112CO 0.00 -1.11 1.28 -0.35 -2.12 0.00 0.00 175.29 172.99 2rqt n PRO 1113N 3.27 0.39 0.16 2.91 -0.04 -1.25 -1.46 135.00 138.99 2rqt n PRO 1113Ca 0.06 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2rqt n PRO 1113Cb 0.33 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.00 0.00 -4.28 0.54 4.39 -1.91 -3.38 114.58 109.94 2rqt h GLU 1114Ca 0.00 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.95 2rqt h GLU 1114Cb 0.03 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.45 2rqt h GLU 1114CO 0.00 0.46 0.46 1.03 -1.16 0.00 0.00 179.01 179.81 2rqt s ARG 1115N -3.33 3.69 0.44 2.33 0.52 -0.53 -5.01 118.95 117.06 2rqt s ARG 1115Ca 0.01 -2.30 0.05 0.00 -0.52 0.00 0.00 55.73 52.98 2rqt s ARG 1115Cb 0.10 -4.65 -0.05 0.00 0.52 0.00 0.00 34.95 30.86 2rqt s ARG 1115CO 0.72 -1.48 0.02 0.15 0.02 0.00 0.00 175.30 174.72 2rqt s LYS 1116N 1.00 2.01 0.00 3.54 1.02 -1.26 -0.01 119.74 126.04 2rqt s LYS 1116Ca 0.26 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 54.05 2rqt s LYS 1116Cb -0.08 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 2rqt s LYS 1116CO -0.09 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2rqt n GLY 1117N -1.04 -0.26 3.81 -3.33 0.00 -0.27 -4.43 105.19 99.66 2rqt n GLY 1117Ca -0.09 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.56 4.56 -0.04 1.61 -7.23 -0.80 -1.62 120.40 114.33 2rqt s VAL 1118Ca 0.00 1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 61.50 2rqt s VAL 1118Cb 0.00 -3.93 0.02 0.00 0.56 0.00 0.00 36.38 33.03 2rqt s VAL 1118CO 0.00 0.36 0.10 0.72 -0.31 0.00 0.00 175.10 175.96 2rqt s PHE 1119N -1.35 -0.10 0.07 2.82 -0.71 0.47 -1.92 117.98 117.27 2rqt s PHE 1119Ca 0.38 0.29 -0.31 0.00 -1.04 0.00 0.00 56.93 56.26 2rqt s PHE 1119Cb -0.19 -0.05 -0.08 0.00 -1.21 0.00 0.00 43.02 41.50 2rqt s PHE 1119CO 0.22 -0.09 1.60 -1.25 -1.34 0.00 0.00 175.22 174.36 2rqt s PRO 1120N 0.55 4.21 0.53 1.99 0.04 -1.26 -1.83 135.00 139.24 2rqt s PRO 1120Ca -0.04 2.27 0.27 0.00 0.04 0.00 0.00 61.00 63.54 2rqt s PRO 1120Cb -0.06 -3.55 1.47 0.00 0.04 0.00 0.00 34.50 32.40 2rqt s PRO 1120CO -0.02 -0.69 2.09 0.28 0.04 0.00 0.00 177.00 178.70 2rqt h VAL 1121N 4.74 0.60 0.00 -0.36 2.07 -1.63 -1.25 116.25 120.42 2rqt h VAL 1121Ca -0.42 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2rqt h VAL 1121Cb 1.20 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2rqt h VAL 1121CO 0.92 0.10 0.00 0.77 0.02 0.00 0.00 177.57 179.39 2rqt h SER 1122N 0.00 0.00 0.02 0.57 4.64 -1.90 -2.60 113.55 114.27 2rqt h SER 1122Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rqt h SER 1122Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2rqt h SER 1122CO 0.01 0.00 -0.15 0.49 -0.87 0.00 0.00 176.83 176.31 2rqt n PHE 1123N -2.52 0.00 -4.55 4.77 3.01 -0.47 -4.91 117.46 112.79 2rqt n PHE 1123Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.21 2rqt n PHE 1123Cb 0.26 -0.02 -0.14 0.00 -0.01 0.00 0.00 39.48 39.58 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 -2.19 1.92 -0.44 -4.37 -7.23 -0.98 -0.20 120.40 106.91 2rqt s VAL 1124Ca 0.28 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2rqt s VAL 1124Cb 0.20 -1.69 0.08 0.00 0.56 0.00 0.00 36.38 35.52 2rqt s VAL 1124CO 0.41 0.14 0.31 -2.28 -0.31 0.00 0.00 175.10 173.37 2rqt s HIS 1125N -0.95 3.30 0.13 2.82 2.46 0.14 -4.82 115.29 118.36 2rqt s HIS 1125Ca 0.10 -1.30 -0.30 0.00 0.47 0.00 0.00 55.06 54.02 2rqt s HIS 1125Cb -0.10 -3.02 -0.07 0.00 -0.13 0.00 0.00 32.58 29.26 2rqt s HIS 1125CO 0.03 -0.83 1.22 0.42 -2.47 0.00 0.00 174.74 173.12 2rqt s ILE 1126N 1.50 3.72 0.00 0.89 1.01 -1.26 -0.11 121.20 126.95 2rqt s ILE 1126Ca 0.03 1.32 0.08 0.00 0.00 0.00 0.00 60.65 62.08 2rqt s ILE 1126Cb -0.23 -3.85 -0.23 0.00 0.01 0.00 0.00 42.46 38.16 2rqt s ILE 1126CO 0.04 0.15 0.84 -0.07 0.00 0.00 0.00 174.94 175.90 2rqt h LEU 1127N 6.09 0.08 0.32 2.97 3.38 -0.92 -3.48 115.31 123.76 2rqt h LEU 1127Ca -0.43 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.27 2rqt h LEU 1127Cb 1.21 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 2rqt h LEU 1127CO 0.79 1.12 -0.12 -1.20 0.09 0.00 0.00 178.44 179.11 2rqt n SER 1128N -3.21 -5.45 0.00 -0.43 7.64 -1.20 -4.97 113.62 106.01 2rqt n SER 1128Ca -0.13 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2rqt n SER 1128Cb 1.02 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36