#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 2.80 0.08 7.34 1.70 -1.24 -4.79 118.95 124.83 2rqt s ARG 1070Ca 0.00 0.55 0.09 0.00 -0.47 0.00 0.00 55.73 55.90 2rqt s ARG 1070Cb 0.00 -2.01 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 2rqt s ARG 1070CO 0.00 -1.09 -0.24 1.03 -1.08 0.00 0.00 175.30 173.91 2rqt s ARG 1071N -5.29 1.72 0.06 3.89 0.52 -1.13 0.01 118.95 118.73 2rqt s ARG 1071Ca 0.58 -1.17 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 2rqt s ARG 1071Cb -0.12 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 2rqt s ARG 1071CO 0.53 0.49 -0.15 0.14 0.02 0.00 0.00 175.30 176.33 2rqt s VAL 1072N -0.93 1.16 -0.34 3.52 -7.23 0.76 -0.08 120.40 117.26 2rqt s VAL 1072Ca 0.13 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2rqt s VAL 1072Cb -0.10 -1.09 0.09 0.00 0.56 0.00 0.00 36.38 35.84 2rqt s VAL 1072CO 0.05 -0.11 0.06 -0.75 -0.31 0.00 0.00 175.10 174.03 2rqt s LYS 1073N -1.50 1.88 -0.06 4.82 2.47 0.12 -0.63 119.74 126.84 2rqt s LYS 1073Ca 0.00 -1.69 -0.35 0.00 -1.56 0.00 0.00 55.97 52.37 2rqt s LYS 1073Cb -0.09 -3.25 -0.13 0.00 -1.46 0.00 0.00 37.83 32.90 2rqt s LYS 1073CO 0.02 -0.87 1.78 0.25 0.16 0.00 0.00 175.35 176.69 2rqt n THR 1074N 4.43 0.41 0.67 3.43 -2.24 -0.42 0.29 114.28 120.84 2rqt n THR 1074Ca -0.03 -0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 2rqt n THR 1074Cb 0.42 -1.67 0.02 0.00 -2.10 0.00 0.00 70.33 67.00 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 4.63 0.00 -3.99 2.28 -5.35 0.35 -0.35 119.36 116.92 2rqt n ILE 1075Ca 0.22 -0.40 -0.10 0.00 -0.27 0.00 0.00 62.75 62.20 2rqt n ILE 1075Cb 0.26 1.23 -0.12 0.00 -1.74 0.00 0.00 39.64 39.28 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 -1.64 0.31 0.16 4.28 2.02 -0.77 -4.86 117.35 116.85 2rqt s TYR 1076Ca 0.15 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 2rqt s TYR 1076Cb 0.13 -0.21 -0.07 0.00 -0.40 0.00 0.00 41.96 41.41 2rqt s TYR 1076CO 0.32 -0.14 0.94 0.16 -1.57 0.00 0.00 175.55 175.26 2rqt s ASP 1077N -1.25 7.55 -0.29 2.29 -4.77 -1.26 -4.08 116.67 114.86 2rqt s ASP 1077Ca -0.12 1.84 0.02 0.00 -3.30 0.00 0.00 52.55 50.99 2rqt s ASP 1077Cb -0.08 -2.59 0.08 0.00 -1.09 0.00 0.00 42.92 39.24 2rqt s ASP 1077CO -0.01 0.03 0.01 0.00 0.70 0.00 0.00 175.17 175.91 2rqt s GLN 1079N 1.23 3.59 0.66 0.00 0.74 -1.26 -1.84 119.66 122.78 2rqt s GLN 1079Ca 0.04 -1.75 -0.17 0.00 0.05 0.00 0.00 55.36 53.53 2rqt s GLN 1079Cb -0.19 -4.89 0.00 0.00 1.10 0.00 0.00 33.01 29.03 2rqt s GLN 1079CO -0.11 -1.77 1.23 0.00 -0.55 0.00 0.00 175.29 174.09 2rqt s ALA 1080N 2.68 2.33 -0.04 1.58 0.00 -1.26 -4.97 121.76 122.09 2rqt s ALA 1080Ca 0.32 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2rqt s ALA 1080Cb -0.05 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2rqt s ALA 1080CO -0.09 -1.57 -0.01 -3.47 0.00 0.00 0.00 175.76 170.63 2rqt n ASP 1081N -2.13 3.95 -4.89 0.00 2.03 -1.26 -4.95 116.55 109.30 2rqt n ASP 1081Ca 0.14 -0.01 -0.31 0.00 0.52 0.00 0.00 54.79 55.13 2rqt n ASP 1081Cb 0.49 0.37 -0.05 0.00 -0.72 0.00 0.00 41.12 41.22 2rqt n ASP 1081CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2rqt s ASN 1082N -3.78 6.55 0.13 1.67 0.01 -1.26 -4.98 114.94 113.29 2rqt s ASN 1082Ca -0.03 0.77 0.24 0.00 -0.71 0.00 0.00 52.86 53.13 2rqt s ASN 1082Cb 0.01 -2.16 0.92 0.00 0.41 0.00 0.00 41.25 40.43 2rqt s ASN 1082CO 0.14 -0.04 1.73 0.47 -1.51 0.00 0.00 177.10 177.89 2rqt n ASP 1083N -0.14 0.42 0.12 -1.22 8.00 -1.26 -1.82 116.55 120.65 2rqt n ASP 1083Ca -0.01 0.57 -0.01 0.00 0.71 0.00 0.00 54.79 56.05 2rqt n ASP 1083Cb 0.52 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2rqt n ASP 1083CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2rqt h ASP 1084N 0.00 0.00 -4.02 -2.24 5.19 -1.93 -3.45 116.42 109.97 2rqt h ASP 1084Ca 0.00 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.95 2rqt h ASP 1084Cb 0.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2rqt h ASP 1084CO 0.00 0.67 0.29 -1.61 -3.12 0.00 0.00 179.24 175.47 2rqt s GLU 1085N -3.01 4.06 -0.04 3.56 2.02 -0.75 -1.49 118.70 123.05 2rqt s GLU 1085Ca 0.02 0.93 -0.11 0.00 0.02 0.00 0.00 54.97 55.83 2rqt s GLU 1085Cb 0.09 -2.22 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 2rqt s GLU 1085CO 0.76 -0.08 0.30 -1.17 0.02 0.00 0.00 175.26 175.10 2rqt s LEU 1086N -3.50 4.43 -0.23 1.80 2.96 -0.05 -4.75 118.68 119.34 2rqt s LEU 1086Ca 0.59 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 55.17 2rqt s LEU 1086Cb -0.10 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 2rqt s LEU 1086CO 0.21 0.34 0.06 -0.89 -1.32 0.00 0.00 176.35 174.75 2rqt s THR 1087N -1.10 4.31 0.19 3.68 2.01 -1.26 -4.16 115.64 119.30 2rqt s THR 1087Ca 0.22 -0.18 -0.14 0.00 0.31 0.00 0.00 61.69 61.90 2rqt s THR 1087Cb -0.15 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.38 2rqt s THR 1087CO 0.11 0.37 0.42 0.72 -0.69 0.00 0.00 174.62 175.55 2rqt s PHE 1088N 1.32 0.12 0.39 4.92 -0.12 -0.77 -4.98 117.98 118.86 2rqt s PHE 1088Ca 0.05 -0.47 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 2rqt s PHE 1088Cb -0.15 0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.38 2rqt s PHE 1088CO 0.03 -0.84 0.04 0.96 -0.05 0.00 0.00 175.22 175.35 2rqt s ILE 1089N -3.92 1.48 -0.11 -4.49 -0.00 -1.26 -0.56 121.20 112.34 2rqt s ILE 1089Ca 0.13 -2.00 -0.32 0.00 -0.00 0.00 0.00 60.65 58.47 2rqt s ILE 1089Cb 0.01 -2.77 -0.09 0.00 -0.00 0.00 0.00 42.46 39.61 2rqt s ILE 1089CO -0.01 0.00 2.03 -0.62 -0.00 0.00 0.00 174.94 176.34 2rqt n GLU 1090N -0.89 2.21 0.00 0.37 4.71 -1.26 -2.34 120.64 123.44 2rqt n GLU 1090Ca -0.06 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.84 2rqt n GLU 1090Cb 0.67 -2.89 0.00 0.00 -1.01 0.00 0.00 31.44 28.21 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 5.04 1.13 3.74 0.62 0.00 0.52 -4.99 105.19 111.25 2rqt n GLY 1091Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.03 4.77 -0.11 1.61 0.41 -0.99 -4.80 118.70 119.56 2rqt s GLU 1092Ca 0.00 1.53 -0.19 0.00 -0.41 0.00 0.00 54.97 55.90 2rqt s GLU 1092Cb 0.00 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.01 2rqt s GLU 1092CO 0.00 0.36 0.51 0.08 -0.49 0.00 0.00 175.26 175.72 2rqt s VAL 1093N -0.76 5.16 -0.08 2.63 1.01 -1.26 -1.30 120.40 125.80 2rqt s VAL 1093Ca 0.44 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2rqt s VAL 1093Cb -0.26 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2rqt s VAL 1093CO 0.33 0.32 -0.19 -0.63 0.00 0.00 0.00 175.10 174.92 2rqt s ILE 1094N 0.59 1.70 -0.32 2.22 1.01 0.19 0.12 121.20 126.72 2rqt s ILE 1094Ca 0.28 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 2rqt s ILE 1094Cb -0.16 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2rqt s ILE 1094CO 0.12 0.48 0.46 -0.63 0.00 0.00 0.00 174.94 175.36 2rqt s ILE 1095N 0.42 5.08 -0.14 2.92 1.01 0.71 -0.17 121.20 131.03 2rqt s ILE 1095Ca -0.16 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 2rqt s ILE 1095Cb -0.17 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2rqt s ILE 1095CO 0.07 -0.08 1.59 -0.69 0.00 0.00 0.00 174.94 175.83 2rqt s VAL 1096N 2.24 3.72 -0.30 2.92 1.01 0.10 -1.71 120.40 128.38 2rqt s VAL 1096Ca 0.17 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.08 2rqt s VAL 1096Cb -0.16 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 2rqt s VAL 1096CO 0.12 -0.17 0.31 0.35 0.00 0.00 0.00 175.10 175.71 2rqt n THR 1097N 5.89 0.00 -3.83 3.92 -2.24 0.90 -3.70 114.28 115.22 2rqt n THR 1097Ca 0.18 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 2rqt n THR 1097Cb 0.44 0.83 0.01 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.09 0.03 -0.02 3.38 0.00 0.90 -4.95 107.32 104.57 2rqt s GLY 1098Ca 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.51 2rqt s GLY 1098CO 0.35 1.06 -0.05 -0.54 0.00 0.00 0.00 173.10 173.93 2rqt s GLU 1099N -2.64 0.53 -0.13 2.90 2.02 -1.26 -0.19 118.70 119.93 2rqt s GLU 1099Ca 0.17 -0.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.95 2rqt s GLU 1099Cb -0.03 -0.54 -0.06 0.00 0.10 0.00 0.00 34.13 33.61 2rqt s GLU 1099CO 0.05 0.04 -0.17 0.39 0.02 0.00 0.00 175.26 175.59 2rqt n GLU 1100N 3.36 0.28 -3.90 1.61 -0.58 -0.29 -4.84 120.64 116.27 2rqt n GLU 1100Ca -0.18 0.12 -0.16 0.00 -0.42 0.00 0.00 57.16 56.52 2rqt n GLU 1100Cb 0.55 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 30.40 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 -3.61 -0.88 0.11 1.62 2.03 0.15 -4.98 116.55 111.00 2rqt n ASP 1101Ca -0.25 -2.87 -0.01 0.00 0.52 0.00 0.00 54.79 52.18 2rqt n ASP 1101Cb 0.66 1.83 0.25 0.00 -0.72 0.00 0.00 41.12 43.15 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 0.19 -0.20 -0.67 3.07 -2.01 -2.89 115.11 112.60 2rqt h GLN 1102Ca -0.22 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.43 2rqt h GLN 1102Cb 1.08 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 2rqt h GLN 1102CO 0.32 0.56 0.00 0.39 0.09 0.00 0.00 178.83 180.19 2rqt n GLU 1103N -4.04 1.78 -3.59 0.06 -0.58 -1.26 -4.70 120.64 108.30 2rqt n GLU 1103Ca -0.01 -1.72 -0.28 0.00 -0.42 0.00 0.00 57.16 54.72 2rqt n GLU 1103Cb 0.46 -1.31 -0.16 0.00 -0.57 0.00 0.00 31.44 29.86 2rqt n GLU 1103CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2rqt s TRP 1104N -1.12 0.47 0.37 -0.32 0.52 -1.09 -0.19 118.94 117.58 2rqt s TRP 1104Ca 0.22 -0.78 0.08 0.00 0.02 0.00 0.00 56.10 55.64 2rqt s TRP 1104Cb 0.14 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 2rqt s TRP 1104CO 0.19 -0.72 0.20 -1.58 0.02 0.00 0.00 176.95 175.06 2rqt s TRP 1105N 2.05 2.68 -0.10 -1.98 0.51 -0.69 0.34 118.94 121.76 2rqt s TRP 1105Ca 0.06 -0.46 0.01 0.00 -2.12 0.00 0.00 56.10 53.59 2rqt s TRP 1105Cb -0.16 -1.83 -0.02 0.00 -0.81 0.00 0.00 33.47 30.65 2rqt s TRP 1105CO -0.25 0.21 -0.12 0.42 -0.51 0.00 0.00 176.95 176.70 2rqt s ILE 1106N -2.48 3.17 0.04 2.03 1.01 0.73 -0.56 121.20 125.14 2rqt s ILE 1106Ca 0.40 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2rqt s ILE 1106Cb -0.01 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.19 2rqt s ILE 1106CO 0.24 0.55 0.48 0.61 0.00 0.00 0.00 174.94 176.81 2rqt n GLY 1107N 3.06 0.75 3.11 6.18 0.00 -0.52 -0.07 105.19 117.69 2rqt n GLY 1107Ca -0.18 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.55 0.85 0.00 1.61 -3.43 -0.70 -1.30 115.29 108.78 2rqt s HIS 1108Ca 0.11 -0.53 -0.30 0.00 -0.80 0.00 0.00 55.06 53.54 2rqt s HIS 1108Cb -0.01 -0.49 -0.07 0.00 -1.43 0.00 0.00 32.58 30.58 2rqt s HIS 1108CO 0.01 -0.04 1.69 0.42 -2.00 0.00 0.00 174.74 174.82 2rqt s ILE 1109N -1.57 3.32 0.09 -5.38 -1.09 0.92 -0.20 121.20 117.28 2rqt s ILE 1109Ca -0.05 0.54 -0.31 0.00 -2.23 0.00 0.00 60.65 58.60 2rqt s ILE 1109Cb -0.09 -3.35 -0.08 0.00 -1.58 0.00 0.00 42.46 37.37 2rqt s ILE 1109CO 0.01 -0.03 1.46 -0.70 -1.23 0.00 0.00 174.94 174.44 2rqt s GLU 1110N 3.58 4.28 0.00 2.79 2.12 0.12 -1.60 118.70 129.99 2rqt s GLU 1110Ca 0.76 2.13 0.00 0.00 0.36 0.00 0.00 54.97 58.22 2rqt s GLU 1110Cb -0.37 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.67 2rqt s GLU 1110CO 0.32 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 2rqt n GLY 1111N 3.64 1.72 2.65 -1.50 0.00 -1.26 -4.69 105.19 105.74 2rqt n GLY 1111Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.49 0.00 1.61 7.27 -0.62 -5.02 117.38 119.10 2rqt n GLN 1112Ca 0.00 -2.33 0.09 0.00 0.07 0.00 0.00 57.00 54.83 2rqt n GLN 1112Cb 0.00 -1.51 0.48 0.00 2.41 0.00 0.00 30.24 31.63 2rqt n GLN 1112CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2rqt n PRO 1113N 2.71 0.41 0.06 3.69 -0.02 -1.10 -1.62 135.00 139.14 2rqt n PRO 1113Ca 0.20 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2rqt n PRO 1113Cb 0.55 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 32.91 2rqt n PRO 1113CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2rqt n GLU 1114N -1.14 0.19 -3.00 -0.52 -0.58 -1.26 -4.35 120.64 109.99 2rqt n GLU 1114Ca 0.11 0.12 -0.44 0.00 -0.42 0.00 0.00 57.16 56.52 2rqt n GLU 1114Cb 0.10 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.25 2rqt n GLU 1114CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2rqt s ARG 1115N -3.08 3.42 0.12 3.49 0.52 -0.64 -5.00 118.95 117.77 2rqt s ARG 1115Ca 0.10 -1.61 -0.11 0.00 -0.52 0.00 0.00 55.73 53.60 2rqt s ARG 1115Cb 0.14 -4.62 0.01 0.00 0.52 0.00 0.00 34.95 31.00 2rqt s ARG 1115CO 0.62 -1.68 0.26 -1.59 0.02 0.00 0.00 175.30 172.93 2rqt s LYS 1116N 2.62 0.98 0.00 3.54 -2.85 -1.26 -0.06 119.74 122.71 2rqt s LYS 1116Ca 0.25 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.27 2rqt s LYS 1116Cb -0.11 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 2rqt s LYS 1116CO -0.03 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.48 2rqt n GLY 1117N -0.14 -0.21 3.86 0.59 0.00 -0.42 -4.75 105.19 104.11 2rqt n GLY 1117Ca -0.13 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.00 5.14 -0.03 1.61 -7.23 -0.56 -1.44 120.40 113.90 2rqt s VAL 1118Ca 0.00 0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 60.73 2rqt s VAL 1118Cb 0.00 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.31 2rqt s VAL 1118CO 0.00 0.50 0.08 0.72 -0.31 0.00 0.00 175.10 176.08 2rqt s PHE 1119N -1.17 -0.08 0.05 2.82 -0.71 0.28 -0.87 117.98 118.29 2rqt s PHE 1119Ca 0.25 0.20 -0.31 0.00 -1.04 0.00 0.00 56.93 56.03 2rqt s PHE 1119Cb -0.15 0.03 -0.07 0.00 -1.21 0.00 0.00 43.02 41.62 2rqt s PHE 1119CO 0.13 -0.05 1.45 -1.25 -1.34 0.00 0.00 175.22 174.17 2rqt s PRO 1120N 0.01 4.28 0.34 1.99 0.04 -1.25 -1.70 135.00 138.71 2rqt s PRO 1120Ca -0.00 2.08 0.15 0.00 0.04 0.00 0.00 61.00 63.26 2rqt s PRO 1120Cb -0.01 -3.48 0.59 0.00 0.04 0.00 0.00 34.50 31.64 2rqt s PRO 1120CO 0.00 -0.57 1.71 0.28 0.04 0.00 0.00 177.00 178.47 2rqt h VAL 1121N 4.69 1.15 0.00 -0.36 2.07 -0.86 -2.44 116.25 120.51 2rqt h VAL 1121Ca -0.40 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.44 2rqt h VAL 1121Cb 1.19 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2rqt h VAL 1121CO 0.90 0.45 0.00 -1.54 0.02 0.00 0.00 177.57 177.40 2rqt n SER 1122N -3.73 0.00 -0.32 0.57 3.41 -1.26 -2.22 113.62 110.07 2rqt n SER 1122Ca -0.01 -1.08 0.04 0.00 -0.26 0.00 0.00 58.87 57.57 2rqt n SER 1122Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.79 0.00 -4.34 7.33 3.01 -0.92 -4.94 117.46 116.81 2rqt n PHE 1123Ca 0.11 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.35 2rqt n PHE 1123Cb 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.41 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 -0.77 1.87 -0.39 -4.37 -7.23 -0.94 -0.50 120.40 108.07 2rqt s VAL 1124Ca 0.10 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2rqt s VAL 1124Cb 0.07 -1.87 0.07 0.00 0.56 0.00 0.00 36.38 35.21 2rqt s VAL 1124CO 0.12 -0.30 0.20 -2.28 -0.31 0.00 0.00 175.10 172.52 2rqt s HIS 1125N -2.03 3.33 0.13 2.82 2.46 0.14 -4.77 115.29 117.37 2rqt s HIS 1125Ca 0.16 -1.57 -0.30 0.00 0.47 0.00 0.00 55.06 53.82 2rqt s HIS 1125Cb -0.06 -2.74 -0.06 0.00 -0.13 0.00 0.00 32.58 29.58 2rqt s HIS 1125CO 0.07 -0.82 1.07 0.42 -2.47 0.00 0.00 174.74 173.02 2rqt s ILE 1126N 1.39 4.13 -0.13 0.89 1.01 -1.26 0.15 121.20 127.39 2rqt s ILE 1126Ca 0.02 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.41 2rqt s ILE 1126Cb -0.22 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 2rqt s ILE 1126CO 0.02 0.25 -0.14 -1.48 0.00 0.00 0.00 174.94 173.58 2rqt s LEU 1127N 0.09 2.62 -0.03 2.97 2.34 0.88 -4.94 118.68 122.61 2rqt s LEU 1127Ca 0.51 -0.36 -0.03 0.00 0.06 0.00 0.00 54.13 54.30 2rqt s LEU 1127Cb -0.27 -1.58 -0.12 0.00 -0.56 0.00 0.00 46.19 43.66 2rqt s LEU 1127CO 0.32 0.16 2.80 -1.54 -1.06 0.00 0.00 176.35 177.03 2rqt n SER 1128N 3.56 5.39 0.00 1.48 3.41 -1.26 -2.86 113.62 123.34 2rqt n SER 1128Ca -0.18 -2.50 0.10 0.00 -0.26 0.00 0.00 58.87 56.03 2rqt n SER 1128Cb 0.53 -1.27 0.60 0.00 -0.26 0.00 0.00 64.21 63.81 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21