#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 2.79 0.34 7.34 3.52 -1.26 -4.64 118.95 127.03 2rqt s ARG 1070Ca 0.00 -1.07 0.08 0.00 -0.13 0.00 0.00 55.73 54.61 2rqt s ARG 1070Cb 0.00 -3.49 -0.07 0.00 -1.56 0.00 0.00 34.95 29.83 2rqt s ARG 1070CO 0.00 -0.61 -0.05 1.03 -0.81 0.00 0.00 175.30 174.85 2rqt s ARG 1071N 1.46 1.78 0.08 5.12 0.52 -1.02 -1.39 118.95 125.49 2rqt s ARG 1071Ca 0.00 -1.94 -0.00 0.00 -0.52 0.00 0.00 55.73 53.27 2rqt s ARG 1071Cb -0.19 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 2rqt s ARG 1071CO 0.04 0.05 -0.02 0.14 0.02 0.00 0.00 175.30 175.53 2rqt s VAL 1072N -2.77 0.32 -0.13 3.52 -7.23 0.10 -0.01 120.40 114.20 2rqt s VAL 1072Ca 0.33 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2rqt s VAL 1072Cb 0.05 -1.65 0.04 0.00 0.56 0.00 0.00 36.38 35.37 2rqt s VAL 1072CO 0.16 -0.88 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.29 2rqt s LYS 1073N -3.92 1.07 0.22 4.82 2.20 0.11 -0.11 119.74 124.12 2rqt s LYS 1073Ca 0.11 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.18 2rqt s LYS 1073Cb 0.07 -1.58 -0.10 0.00 -1.51 0.00 0.00 37.83 34.71 2rqt s LYS 1073CO -0.07 -0.38 1.56 0.95 -0.36 0.00 0.00 175.35 177.05 2rqt s THR 1074N 1.80 2.46 -0.18 3.43 -4.23 0.04 0.00 115.64 118.96 2rqt s THR 1074Ca 0.03 0.36 0.05 0.00 -1.18 0.00 0.00 61.69 60.94 2rqt s THR 1074Cb -0.14 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 2rqt s THR 1074CO -0.07 0.04 0.18 2.30 -0.54 0.00 0.00 174.62 176.53 2rqt n ILE 1075N 3.20 0.00 -4.29 2.99 -5.35 0.75 -0.08 119.36 116.57 2rqt n ILE 1075Ca 0.11 -0.33 -0.18 0.00 -0.27 0.00 0.00 62.75 62.09 2rqt n ILE 1075Cb 0.38 0.87 -0.14 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.65 0.85 0.23 4.28 2.02 -0.97 -4.78 117.35 117.33 2rqt s TYR 1076Ca 0.01 -0.25 -0.31 0.00 -0.37 0.00 0.00 57.07 56.15 2rqt s TYR 1076Cb 0.04 -0.53 -0.11 0.00 -0.40 0.00 0.00 41.96 40.96 2rqt s TYR 1076CO 0.20 -0.01 1.57 0.34 -1.57 0.00 0.00 175.55 176.08 2rqt s ASP 1077N -0.65 6.51 -0.18 2.29 2.15 -1.26 -4.33 116.67 121.20 2rqt s ASP 1077Ca 0.01 2.76 0.00 0.00 0.43 0.00 0.00 52.55 55.75 2rqt s ASP 1077Cb -0.05 -2.61 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 2rqt s ASP 1077CO 0.00 -0.85 -0.10 0.00 -0.17 0.00 0.00 175.17 174.06 2rqt s GLN 1079N 1.49 2.83 0.09 0.00 -0.21 -1.26 -1.63 119.66 120.96 2rqt s GLN 1079Ca 0.01 -1.04 -0.31 0.00 0.02 0.00 0.00 55.36 54.04 2rqt s GLN 1079Cb -0.15 -3.44 -0.10 0.00 1.00 0.00 0.00 33.01 30.33 2rqt s GLN 1079CO -0.09 -0.58 1.81 0.00 -2.12 0.00 0.00 175.29 174.32 2rqt s ALA 1080N 1.45 3.72 -0.12 6.09 0.00 -1.26 -4.87 121.76 126.77 2rqt s ALA 1080Ca 0.00 1.37 0.19 0.00 0.00 0.00 0.00 51.96 53.53 2rqt s ALA 1080Cb -0.18 -3.76 -0.25 0.00 0.00 0.00 0.00 23.12 18.92 2rqt s ALA 1080CO 0.03 -1.26 0.40 -3.47 0.00 0.00 0.00 175.76 171.46 2rqt n ASP 1081N 5.99 0.21 -4.96 0.00 2.03 -1.26 -4.97 116.55 113.59 2rqt n ASP 1081Ca 0.18 0.09 -0.24 0.00 0.52 0.00 0.00 54.79 55.33 2rqt n ASP 1081Cb 0.39 1.17 0.02 0.00 -0.72 0.00 0.00 41.12 41.98 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 -5.20 4.75 0.03 1.67 0.01 -1.26 -5.06 114.94 109.88 2rqt s ASN 1082Ca -0.08 -1.17 -0.17 0.00 -0.71 0.00 0.00 52.86 50.74 2rqt s ASN 1082Cb 0.10 0.51 -0.23 0.00 0.41 0.00 0.00 41.25 42.03 2rqt s ASN 1082CO 0.85 -1.25 1.14 -0.78 -1.51 0.00 0.00 177.10 175.55 2rqt h ASP 1083N 0.50 0.69 -0.04 -1.22 3.58 -2.04 -3.32 116.42 114.56 2rqt h ASP 1083Ca -0.33 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.37 2rqt h ASP 1083Cb 1.30 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2rqt h ASP 1083CO 0.51 1.34 0.00 -0.67 -2.88 0.00 0.00 179.24 177.54 2rqt n ASP 1084N -4.08 1.84 -4.75 2.28 2.03 -1.26 -4.82 116.55 107.79 2rqt n ASP 1084Ca -0.10 -1.62 -0.40 0.00 0.52 0.00 0.00 54.79 53.18 2rqt n ASP 1084Cb 0.75 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 41.08 2rqt n ASP 1084CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rqt s GLU 1085N -1.97 4.83 0.11 -0.67 2.02 -1.25 -0.79 118.70 120.99 2rqt s GLU 1085Ca 0.36 1.50 -0.21 0.00 0.02 0.00 0.00 54.97 56.64 2rqt s GLU 1085Cb 0.21 -3.29 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 2rqt s GLU 1085CO 0.32 0.48 0.64 -1.17 0.02 0.00 0.00 175.26 175.54 2rqt s LEU 1086N -1.06 4.52 -0.22 1.80 2.96 -0.54 -4.70 118.68 121.45 2rqt s LEU 1086Ca 0.42 1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 55.61 2rqt s LEU 1086Cb -0.26 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2rqt s LEU 1086CO 0.32 0.23 0.12 -0.89 -1.32 0.00 0.00 176.35 174.81 2rqt s THR 1087N -1.17 5.07 0.10 3.68 2.01 -1.26 -4.22 115.64 119.85 2rqt s THR 1087Ca 0.32 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 2rqt s THR 1087Cb -0.20 -3.34 0.05 0.00 0.01 0.00 0.00 72.50 69.02 2rqt s THR 1087CO 0.21 0.39 0.49 0.72 -0.69 0.00 0.00 174.62 175.74 2rqt s PHE 1088N 0.83 -0.36 0.28 4.92 -0.12 -0.65 -5.01 117.98 117.87 2rqt s PHE 1088Ca 0.06 0.21 0.10 0.00 -0.05 0.00 0.00 56.93 57.25 2rqt s PHE 1088Cb -0.13 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 2rqt s PHE 1088CO 0.02 -0.71 -0.04 0.96 -0.05 0.00 0.00 175.22 175.41 2rqt s ILE 1089N -3.25 3.16 -0.12 -4.49 -5.25 -1.26 -0.93 121.20 109.05 2rqt s ILE 1089Ca -0.01 -2.01 -0.33 0.00 -0.99 0.00 0.00 60.65 57.31 2rqt s ILE 1089Cb 0.00 -2.73 -0.10 0.00 2.95 0.00 0.00 42.46 42.57 2rqt s ILE 1089CO -0.08 -0.36 1.98 -0.62 -1.79 0.00 0.00 174.94 174.07 2rqt n GLU 1090N -0.85 2.11 0.00 0.37 4.71 -1.26 -2.34 120.64 123.37 2rqt n GLU 1090Ca -0.06 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 57.83 2rqt n GLU 1090Cb 0.60 -2.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.28 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 4.86 1.08 3.78 0.62 0.00 0.88 -4.95 105.19 111.46 2rqt n GLY 1091Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.06 4.32 -0.14 1.61 2.02 -0.99 -4.82 118.70 120.64 2rqt s GLU 1092Ca 0.00 0.82 -0.17 0.00 0.02 0.00 0.00 54.97 55.64 2rqt s GLU 1092Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2rqt s GLU 1092CO 0.00 0.49 0.42 0.08 0.02 0.00 0.00 175.26 176.27 2rqt s VAL 1093N -0.63 5.22 -0.06 2.63 1.01 -1.26 -0.78 120.40 126.53 2rqt s VAL 1093Ca 0.31 0.82 0.03 0.00 0.00 0.00 0.00 61.98 63.15 2rqt s VAL 1093Cb -0.19 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2rqt s VAL 1093CO 0.19 0.33 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 2rqt s ILE 1094N 0.67 2.90 -0.30 2.22 1.01 0.84 -0.15 121.20 128.39 2rqt s ILE 1094Ca 0.23 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 2rqt s ILE 1094Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2rqt s ILE 1094CO 0.08 0.58 0.29 -0.63 0.00 0.00 0.00 174.94 175.26 2rqt s ILE 1095N -0.49 5.23 -0.31 2.92 1.01 0.56 0.02 121.20 130.14 2rqt s ILE 1095Ca 0.06 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 2rqt s ILE 1095Cb -0.12 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2rqt s ILE 1095CO 0.02 0.10 1.66 -0.69 0.00 0.00 0.00 174.94 176.03 2rqt s VAL 1096N 1.91 3.63 -0.72 2.92 1.01 -0.49 -1.79 120.40 126.87 2rqt s VAL 1096Ca 0.10 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.82 2rqt s VAL 1096Cb -0.16 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2rqt s VAL 1096CO 0.11 -0.45 0.58 0.35 0.00 0.00 0.00 175.10 175.69 2rqt n THR 1097N 7.06 0.00 -3.80 3.92 -2.24 0.52 -4.73 114.28 115.01 2rqt n THR 1097Ca 0.20 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.49 2rqt n THR 1097Cb 0.47 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.95 -0.10 -0.01 3.38 0.00 0.91 -4.92 107.32 105.63 2rqt s GLY 1098Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 2rqt s GLY 1098CO 0.15 0.30 0.02 -0.54 0.00 0.00 0.00 173.10 173.03 2rqt s GLU 1099N -3.16 -0.00 -0.15 2.90 2.02 -1.26 -0.15 118.70 118.89 2rqt s GLU 1099Ca 0.14 0.09 -0.07 0.00 0.02 0.00 0.00 54.97 55.15 2rqt s GLU 1099Cb -0.03 -0.09 -0.07 0.00 0.10 0.00 0.00 34.13 34.04 2rqt s GLU 1099CO 0.04 -0.07 -0.19 0.39 0.02 0.00 0.00 175.26 175.46 2rqt n GLU 1100N 3.51 0.32 -0.60 1.61 -0.58 0.07 -4.84 120.64 120.13 2rqt n GLU 1100Ca -0.18 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2rqt n GLU 1100Cb 0.56 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 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 -3.59 0.00 0.06 1.62 2.03 0.75 -4.98 116.55 112.45 2rqt n ASP 1101Ca -0.29 -0.39 -0.08 0.00 0.52 0.00 0.00 54.79 54.54 2rqt n ASP 1101Cb 0.72 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.17 2rqt n ASP 1101CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2rqt h GLN 1102N 0.00 0.34 0.00 -0.67 4.15 -2.02 -3.30 115.11 113.60 2rqt h GLN 1102Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2rqt h GLN 1102Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2rqt h GLN 1102CO 0.00 0.90 -0.04 -0.85 -1.93 0.00 0.00 178.83 176.92 2rqt n GLU 1103N -3.84 1.84 -3.69 1.69 0.28 -1.26 -4.86 120.64 110.81 2rqt n GLU 1103Ca -0.04 -1.83 -0.27 0.00 -0.16 0.00 0.00 57.16 54.87 2rqt n GLU 1103Cb 0.68 -1.13 -0.17 0.00 1.43 0.00 0.00 31.44 32.26 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 -1.63 0.70 0.43 -1.84 0.52 -1.24 -0.55 118.94 115.32 2rqt s TRP 1104Ca 0.13 -0.61 0.07 0.00 0.02 0.00 0.00 56.10 55.71 2rqt s TRP 1104Cb 0.12 -0.89 -0.05 0.00 -1.15 0.00 0.00 33.47 31.50 2rqt s TRP 1104CO 0.01 -0.55 0.16 -1.58 0.02 0.00 0.00 176.95 175.01 2rqt s TRP 1105N 1.97 2.49 -0.05 -1.98 0.51 -0.61 -0.18 118.94 121.08 2rqt s TRP 1105Ca 0.00 -0.64 0.06 0.00 -2.12 0.00 0.00 56.10 53.41 2rqt s TRP 1105Cb -0.16 -1.91 -0.01 0.00 -0.81 0.00 0.00 33.47 30.57 2rqt s TRP 1105CO -0.08 0.19 -0.24 0.42 -0.51 0.00 0.00 176.95 176.73 2rqt s ILE 1106N -2.64 2.20 0.05 2.03 1.01 0.78 -0.46 121.20 124.17 2rqt s ILE 1106Ca 0.38 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 2rqt s ILE 1106Cb 0.04 -1.80 0.09 0.00 0.01 0.00 0.00 42.46 40.80 2rqt s ILE 1106CO 0.21 0.57 1.19 0.61 0.00 0.00 0.00 174.94 177.51 2rqt n GLY 1107N 2.82 0.34 3.27 6.18 0.00 -0.50 -0.06 105.19 117.24 2rqt n GLY 1107Ca -0.17 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.07 1.58 0.00 1.61 -3.43 -0.74 -0.90 115.29 111.35 2rqt s HIS 1108Ca 0.27 -0.50 -0.30 0.00 -0.80 0.00 0.00 55.06 53.74 2rqt s HIS 1108Cb -0.01 -0.82 -0.07 0.00 -1.43 0.00 0.00 32.58 30.24 2rqt s HIS 1108CO 0.01 0.20 1.68 0.42 -2.00 0.00 0.00 174.74 175.05 2rqt s ILE 1109N -1.85 3.34 0.02 -5.38 -1.09 0.29 -0.33 121.20 116.20 2rqt s ILE 1109Ca 0.09 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 58.78 2rqt s ILE 1109Cb -0.07 -3.37 -0.07 0.00 -1.58 0.00 0.00 42.46 37.37 2rqt s ILE 1109CO 0.04 -0.03 1.68 -0.70 -1.23 0.00 0.00 174.94 174.70 2rqt s GLU 1110N 3.55 4.19 0.00 2.79 2.56 0.78 -1.28 118.70 131.28 2rqt s GLU 1110Ca 0.75 2.30 0.00 0.00 0.00 0.00 0.00 54.97 58.02 2rqt s GLU 1110Cb -0.36 -3.81 0.00 0.00 2.00 0.00 0.00 34.13 31.95 2rqt s GLU 1110CO 0.32 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.63 2rqt n GLY 1111N 4.10 0.65 2.58 -1.50 0.00 -1.26 -4.80 105.19 104.97 2rqt n GLY 1111Ca 0.17 0.00 -0.15 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 0.38 0.00 1.61 -0.06 -0.41 -5.03 117.38 111.88 2rqt n GLN 1112Ca 0.00 -2.58 0.09 0.00 -2.00 0.00 0.00 57.00 52.51 2rqt n GLN 1112Cb 0.00 -1.56 0.51 0.00 -4.06 0.00 0.00 30.24 25.14 2rqt n GLN 1112CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2rqt n PRO 1113N 2.85 0.45 0.08 3.69 -0.04 -1.22 -2.53 135.00 138.28 2rqt n PRO 1113Ca 0.23 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2rqt n PRO 1113Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.28 -5.63 0.54 3.07 -1.96 -3.41 114.58 107.47 2rqt h GLU 1114Ca 0.00 -0.35 -0.62 0.00 -0.50 0.00 0.00 59.36 57.89 2rqt h GLU 1114Cb 0.07 0.11 -0.13 0.00 -0.84 0.00 0.00 28.75 27.96 2rqt h GLU 1114CO 0.00 1.08 0.80 1.03 -1.40 0.00 0.00 179.01 180.52 2rqt s ARG 1115N -3.04 3.26 0.05 2.33 0.52 -1.05 -4.97 118.95 116.05 2rqt s ARG 1115Ca -0.04 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2rqt s ARG 1115Cb 0.09 -4.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.06 2rqt s ARG 1115CO 0.86 -1.92 -0.03 -1.59 0.02 0.00 0.00 175.30 172.64 2rqt s LYS 1116N 4.27 0.63 0.00 3.54 -2.85 -1.26 -0.55 119.74 123.53 2rqt s LYS 1116Ca 0.29 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.03 2rqt s LYS 1116Cb -0.11 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2rqt s LYS 1116CO 0.06 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.81 2rqt n GLY 1117N 0.10 -0.50 3.78 0.59 0.00 -0.07 -4.71 105.19 104.37 2rqt n GLY 1117Ca -0.14 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.25 4.63 -0.01 1.61 -7.23 0.03 -1.41 120.40 114.78 2rqt s VAL 1118Ca 0.00 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.62 2rqt s VAL 1118Cb 0.00 -4.02 0.01 0.00 0.56 0.00 0.00 36.38 32.93 2rqt s VAL 1118CO 0.00 0.50 0.01 0.72 -0.31 0.00 0.00 175.10 176.02 2rqt s PHE 1119N -0.85 0.02 -0.01 2.82 -0.71 0.39 -1.47 117.98 118.18 2rqt s PHE 1119Ca 0.33 0.03 -0.30 0.00 -1.04 0.00 0.00 56.93 55.95 2rqt s PHE 1119Cb -0.21 -0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.47 2rqt s PHE 1119CO 0.22 -0.02 1.58 -1.25 -1.34 0.00 0.00 175.22 174.40 2rqt s PRO 1120N 0.28 4.21 0.47 1.99 0.04 -1.26 -1.58 135.00 139.15 2rqt s PRO 1120Ca -0.02 2.16 0.19 0.00 0.04 0.00 0.00 61.00 63.36 2rqt s PRO 1120Cb -0.03 -3.75 1.13 0.00 0.04 0.00 0.00 34.50 31.88 2rqt s PRO 1120CO -0.01 -0.74 2.00 0.28 0.04 0.00 0.00 177.00 178.58 2rqt h VAL 1121N 5.16 0.96 0.00 -0.36 2.07 -1.16 -1.31 116.25 121.61 2rqt h VAL 1121Ca -0.40 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2rqt h VAL 1121Cb 1.18 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2rqt h VAL 1121CO 0.93 0.18 0.00 0.28 0.02 0.00 0.00 177.57 178.98 2rqt h SER 1122N 0.00 0.00 -0.19 0.57 0.02 -1.91 -2.48 113.55 109.57 2rqt h SER 1122Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rqt h SER 1122Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2rqt h SER 1122CO 0.02 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.20 2rqt n PHE 1123N -2.61 0.23 -4.26 3.45 3.01 -0.49 -4.92 117.46 111.86 2rqt n PHE 1123Ca 0.02 -0.11 -0.14 0.00 1.01 0.00 0.00 57.45 58.22 2rqt n PHE 1123Cb 0.28 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.77 0.72 0.28 -4.37 -7.23 -0.93 -0.18 120.40 106.92 2rqt s VAL 1124Ca 0.34 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2rqt s VAL 1124Cb 0.20 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2rqt s VAL 1124CO 0.29 -0.40 0.21 -1.00 -0.31 0.00 0.00 175.10 173.88 2rqt s HIS 1125N -3.63 2.99 -0.04 2.82 3.76 0.10 -4.84 115.29 116.45 2rqt s HIS 1125Ca 0.26 -0.19 -0.08 0.00 -0.15 0.00 0.00 55.06 54.90 2rqt s HIS 1125Cb 0.06 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.18 2rqt s HIS 1125CO 0.06 0.41 0.24 0.42 -0.85 0.00 0.00 174.74 175.02 2rqt s ILE 1126N -2.22 5.34 -0.13 0.60 -1.09 -1.26 0.08 121.20 122.53 2rqt s ILE 1126Ca 0.36 0.27 0.03 0.00 -2.23 0.00 0.00 60.65 59.07 2rqt s ILE 1126Cb -0.07 -3.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 2rqt s ILE 1126CO 0.25 0.49 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.47 2rqt s LEU 1127N -1.40 2.13 0.00 2.97 1.43 0.99 -4.88 118.68 119.92 2rqt s LEU 1127Ca 0.22 -0.58 0.17 0.00 -1.03 0.00 0.00 54.13 52.91 2rqt s LEU 1127Cb -0.13 -1.44 0.48 0.00 0.03 0.00 0.00 46.19 45.13 2rqt s LEU 1127CO 0.11 0.11 1.39 -0.24 0.23 0.00 0.00 176.35 177.95 2rqt n SER 1128N 3.87 2.48 -0.38 2.29 2.88 -1.26 -2.42 113.62 121.08 2rqt n SER 1128Ca -0.20 -1.95 0.05 0.00 -1.33 0.00 0.00 58.87 55.44 2rqt n SER 1128Cb 0.52 -0.28 0.04 0.00 -0.75 0.00 0.00 64.21 63.74 2rqt n SER 1128CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28