#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 1.05 0.18 7.34 3.52 -1.26 -4.84 118.95 124.94 2rqt s ARG 1070Ca 0.00 -0.12 0.07 0.00 -0.13 0.00 0.00 55.73 55.55 2rqt s ARG 1070Cb 0.00 -1.13 -0.04 0.00 -1.56 0.00 0.00 34.95 32.21 2rqt s ARG 1070CO 0.00 -0.17 -0.15 1.03 -0.81 0.00 0.00 175.30 175.20 2rqt s ARG 1071N 1.37 1.25 0.03 5.12 0.52 -1.25 -0.71 118.95 125.29 2rqt s ARG 1071Ca -0.03 -1.48 0.03 0.00 -0.52 0.00 0.00 55.73 53.73 2rqt s ARG 1071Cb -0.13 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.21 2rqt s ARG 1071CO -0.03 0.20 -0.10 0.14 0.02 0.00 0.00 175.30 175.52 2rqt s VAL 1072N -2.65 0.79 -0.43 3.52 -7.23 0.11 -0.01 120.40 114.50 2rqt s VAL 1072Ca 0.18 -0.88 -0.05 0.00 -1.81 0.00 0.00 61.98 59.42 2rqt s VAL 1072Cb -0.02 -0.75 0.11 0.00 0.56 0.00 0.00 36.38 36.27 2rqt s VAL 1072CO 0.06 -0.11 0.25 -0.75 -0.31 0.00 0.00 175.10 174.24 2rqt s LYS 1073N -1.10 2.22 0.01 4.82 2.47 0.14 -0.77 119.74 127.53 2rqt s LYS 1073Ca -0.02 -1.75 -0.35 0.00 -1.56 0.00 0.00 55.97 52.29 2rqt s LYS 1073Cb -0.07 -3.70 -0.13 0.00 -1.46 0.00 0.00 37.83 32.46 2rqt s LYS 1073CO 0.01 -1.09 1.70 0.25 0.16 0.00 0.00 175.35 176.38 2rqt n THR 1074N 4.73 0.28 0.47 3.43 -2.24 -0.29 0.14 114.28 120.80 2rqt n THR 1074Ca -0.05 -0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.75 2rqt n THR 1074Cb 0.41 -1.58 0.08 0.00 -2.10 0.00 0.00 70.33 67.14 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 4.18 0.15 -4.13 2.28 -5.35 0.06 -0.24 119.36 116.31 2rqt n ILE 1075Ca 0.20 -0.58 -0.14 0.00 -0.27 0.00 0.00 62.75 61.97 2rqt n ILE 1075Cb 0.27 1.18 -0.11 0.00 -1.74 0.00 0.00 39.64 39.23 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 -1.16 0.93 -0.01 4.28 1.51 -0.91 -4.84 117.35 117.15 2rqt s TYR 1076Ca 0.19 -0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 2rqt s TYR 1076Cb 0.12 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.41 2rqt s TYR 1076CO 0.18 -0.04 0.92 0.34 -1.11 0.00 0.00 175.55 175.84 2rqt s ASP 1077N -2.07 7.30 -0.13 2.29 -1.08 -1.26 -3.38 116.67 118.33 2rqt s ASP 1077Ca -0.01 1.57 -0.01 0.00 -0.52 0.00 0.00 52.55 53.58 2rqt s ASP 1077Cb -0.06 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.90 2rqt s ASP 1077CO 0.00 -0.21 -0.04 0.00 0.52 0.00 0.00 175.17 175.44 2rqt s GLN 1079N 1.75 2.30 0.40 0.00 -2.07 -1.26 -0.53 119.66 120.25 2rqt s GLN 1079Ca 0.03 -1.86 -0.27 0.00 -1.82 0.00 0.00 55.36 51.44 2rqt s GLN 1079Cb -0.14 -3.77 -0.09 0.00 -1.09 0.00 0.00 33.01 27.92 2rqt s GLN 1079CO -0.07 -1.14 1.37 0.00 -1.32 0.00 0.00 175.29 174.13 2rqt s ALA 1080N 1.14 3.35 -0.15 2.60 0.00 -1.25 -4.94 121.76 122.50 2rqt s ALA 1080Ca 0.08 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.49 2rqt s ALA 1080Cb -0.24 -3.54 -0.23 0.00 0.00 0.00 0.00 23.12 19.11 2rqt s ALA 1080CO -0.03 -0.95 0.25 -3.47 0.00 0.00 0.00 175.76 171.56 2rqt n ASP 1081N 0.20 1.08 -4.70 0.00 2.03 -1.26 -4.94 116.55 108.96 2rqt n ASP 1081Ca 0.03 0.14 -0.30 0.00 0.52 0.00 0.00 54.79 55.18 2rqt n ASP 1081Cb 0.42 0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 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 -6.18 5.07 0.00 1.67 0.01 -1.26 -5.00 114.94 109.25 2rqt s ASN 1082Ca -0.16 -0.17 0.23 0.00 -0.71 0.00 0.00 52.86 52.05 2rqt s ASN 1082Cb 0.07 -1.22 1.05 0.00 0.41 0.00 0.00 41.25 41.56 2rqt s ASN 1082CO 0.77 0.17 1.74 0.47 -1.51 0.00 0.00 177.10 178.74 2rqt n ASP 1083N 0.51 0.00 0.25 -1.22 8.00 -1.26 -1.23 116.55 121.61 2rqt n ASP 1083Ca -0.10 0.28 0.14 0.00 0.71 0.00 0.00 54.79 55.82 2rqt n ASP 1083Cb 0.52 -0.41 0.57 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.96 -2.24 3.32 -1.94 -3.45 116.42 110.15 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 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2rqt h ASP 1084CO 0.00 0.08 -0.43 -1.61 -1.72 0.00 0.00 179.24 175.56 2rqt s GLU 1085N -3.63 3.03 -0.01 3.56 2.02 -0.37 -0.24 118.70 123.08 2rqt s GLU 1085Ca 0.01 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 53.97 2rqt s GLU 1085Cb 0.09 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 2rqt s GLU 1085CO 0.59 0.21 -0.04 -1.17 0.02 0.00 0.00 175.26 174.86 2rqt s LEU 1086N -4.02 3.30 -0.16 1.80 2.96 -0.11 -4.53 118.68 117.92 2rqt s LEU 1086Ca 0.39 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 2rqt s LEU 1086Cb -0.08 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2rqt s LEU 1086CO 0.28 0.29 0.01 -0.89 -1.32 0.00 0.00 176.35 174.72 2rqt s THR 1087N -1.01 4.36 0.16 3.68 2.01 -1.26 -3.93 115.64 119.65 2rqt s THR 1087Ca 0.17 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.74 2rqt s THR 1087Cb -0.11 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.54 2rqt s THR 1087CO 0.08 0.50 0.69 0.72 -0.69 0.00 0.00 174.62 175.91 2rqt s PHE 1088N 0.17 -0.42 0.38 4.92 -0.12 0.31 -4.97 117.98 118.25 2rqt s PHE 1088Ca 0.01 0.17 0.08 0.00 -0.05 0.00 0.00 56.93 57.15 2rqt s PHE 1088Cb -0.13 0.59 -0.07 0.00 -0.63 0.00 0.00 43.02 42.78 2rqt s PHE 1088CO 0.02 -0.87 0.00 0.96 -0.05 0.00 0.00 175.22 175.28 2rqt s ILE 1089N -3.66 2.22 -0.11 -4.49 -0.00 -1.26 -0.19 121.20 113.71 2rqt s ILE 1089Ca 0.04 -2.01 -0.33 0.00 -0.00 0.00 0.00 60.65 58.35 2rqt s ILE 1089Cb -0.02 -2.86 -0.11 0.00 -0.00 0.00 0.00 42.46 39.47 2rqt s ILE 1089CO -0.08 -0.09 1.95 -0.62 -0.00 0.00 0.00 174.94 176.10 2rqt n GLU 1090N -0.95 2.17 0.00 0.37 4.71 -1.22 -2.19 120.64 123.53 2rqt n GLU 1090Ca -0.04 0.77 0.00 0.00 -0.01 0.00 0.00 57.16 57.88 2rqt n GLU 1090Cb 0.65 -2.74 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 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 4.73 1.20 3.74 0.62 0.00 0.67 -4.98 105.19 111.17 2rqt n GLY 1091Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.02 4.77 -0.16 1.61 0.41 -0.93 -4.80 118.70 119.58 2rqt s GLU 1092Ca 0.00 1.54 -0.18 0.00 -0.41 0.00 0.00 54.97 55.92 2rqt s GLU 1092Cb 0.00 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.02 2rqt s GLU 1092CO 0.00 0.36 0.50 0.08 -0.49 0.00 0.00 175.26 175.71 2rqt s VAL 1093N -0.81 5.15 -0.11 2.63 1.01 -1.26 -1.14 120.40 125.87 2rqt s VAL 1093Ca 0.44 0.95 0.04 0.00 0.00 0.00 0.00 61.98 63.40 2rqt s VAL 1093Cb -0.26 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2rqt s VAL 1093CO 0.33 0.25 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 2rqt s ILE 1094N 1.16 2.09 -0.26 2.22 1.01 0.05 0.07 121.20 127.55 2rqt s ILE 1094Ca 0.25 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 2rqt s ILE 1094Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2rqt s ILE 1094CO 0.10 0.56 0.48 -0.63 0.00 0.00 0.00 174.94 175.45 2rqt s ILE 1095N 0.43 5.10 -0.29 2.92 1.01 0.75 0.06 121.20 131.17 2rqt s ILE 1095Ca -0.17 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 2rqt s ILE 1095Cb -0.17 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2rqt s ILE 1095CO 0.07 0.11 1.69 -0.69 0.00 0.00 0.00 174.94 176.12 2rqt s VAL 1096N 2.17 3.60 -0.15 2.92 1.01 0.11 -1.74 120.40 128.32 2rqt s VAL 1096Ca 0.20 0.64 0.12 0.00 0.00 0.00 0.00 61.98 62.94 2rqt s VAL 1096Cb -0.16 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 2rqt s VAL 1096CO 0.09 -0.40 0.34 0.35 0.00 0.00 0.00 175.10 175.48 2rqt n THR 1097N 6.99 0.00 -3.82 3.92 -2.24 0.26 -4.65 114.28 114.73 2rqt n THR 1097Ca 0.21 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 2rqt n THR 1097Cb 0.46 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 69.11 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 -3.13 0.23 -0.10 3.38 0.00 0.92 -4.95 107.32 103.68 2rqt s GLY 1098Ca -0.02 -0.60 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 2rqt s GLY 1098CO 0.52 0.01 0.24 -0.54 0.00 0.00 0.00 173.10 173.32 2rqt s GLU 1099N -2.64 0.21 -0.19 2.90 2.02 -1.26 -0.06 118.70 119.68 2rqt s GLU 1099Ca 0.15 0.49 -0.08 0.00 0.02 0.00 0.00 54.97 55.55 2rqt s GLU 1099Cb -0.05 -0.08 -0.09 0.00 0.10 0.00 0.00 34.13 34.01 2rqt s GLU 1099CO 0.10 -0.14 -0.23 0.39 0.02 0.00 0.00 175.26 175.39 2rqt n GLU 1100N 4.01 0.41 -2.84 1.61 1.02 -0.27 -4.86 120.64 119.72 2rqt n GLU 1100Ca -0.23 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 2rqt n GLU 1100Cb 0.54 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 2rqt n GLU 1100CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2rqt n ASP 1101N -3.73 0.23 0.07 1.62 2.03 0.42 -4.99 116.55 112.21 2rqt n ASP 1101Ca -0.37 -1.80 -0.04 0.00 0.52 0.00 0.00 54.79 53.10 2rqt n ASP 1101Cb 0.78 0.52 0.15 0.00 -0.72 0.00 0.00 41.12 41.85 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 0.29 0.00 -0.67 3.07 -2.02 -3.22 115.11 112.55 2rqt h GLN 1102Ca -0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.47 2rqt h GLN 1102Cb 0.44 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 2rqt h GLN 1102CO 0.15 0.74 -0.14 -0.85 0.09 0.00 0.00 178.83 178.82 2rqt n GLU 1103N -3.94 1.00 -3.63 0.06 0.28 -1.26 -4.87 120.64 108.28 2rqt n GLU 1103Ca -0.02 -2.26 -0.28 0.00 -0.16 0.00 0.00 57.16 54.44 2rqt n GLU 1103Cb 0.56 -1.27 -0.16 0.00 1.43 0.00 0.00 31.44 32.00 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 -2.24 0.63 0.37 -1.84 0.52 -1.22 -0.74 118.94 114.43 2rqt s TRP 1104Ca 0.25 -0.86 0.08 0.00 0.02 0.00 0.00 56.10 55.60 2rqt s TRP 1104Cb 0.22 -0.99 -0.05 0.00 -1.15 0.00 0.00 33.47 31.50 2rqt s TRP 1104CO 0.02 -0.71 0.14 -1.58 0.02 0.00 0.00 176.95 174.84 2rqt s TRP 1105N 1.99 2.64 -0.07 -1.98 0.51 -0.77 -0.43 118.94 120.82 2rqt s TRP 1105Ca 0.05 -0.48 0.03 0.00 -2.12 0.00 0.00 56.10 53.58 2rqt s TRP 1105Cb -0.16 -1.77 -0.02 0.00 -0.81 0.00 0.00 33.47 30.71 2rqt s TRP 1105CO -0.22 0.28 -0.15 0.42 -0.51 0.00 0.00 176.95 176.77 2rqt s ILE 1106N -2.52 3.00 0.00 2.03 1.01 0.91 -0.22 121.20 125.42 2rqt s ILE 1106Ca 0.39 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2rqt s ILE 1106Cb 0.01 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.28 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 2.69 1.88 2.99 6.18 0.00 -0.53 -0.05 105.19 118.34 2rqt n GLY 1107Ca -0.17 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -5.81 0.27 0.03 1.61 -3.43 -0.71 -1.36 115.29 105.90 2rqt s HIS 1108Ca 0.00 -0.55 -0.30 0.00 -0.80 0.00 0.00 55.06 53.41 2rqt s HIS 1108Cb 0.00 -0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 30.89 2rqt s HIS 1108CO 0.00 -0.20 1.42 0.42 -2.00 0.00 0.00 174.74 174.38 2rqt s ILE 1109N -1.56 3.56 -0.06 -5.38 -1.09 -0.21 -0.18 121.20 116.28 2rqt s ILE 1109Ca -0.15 1.00 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 2rqt s ILE 1109Cb -0.09 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2rqt s ILE 1109CO -0.01 0.02 1.33 -0.70 -1.23 0.00 0.00 174.94 174.35 2rqt s GLU 1110N 2.12 4.28 0.00 2.79 2.12 0.11 -1.69 118.70 128.43 2rqt s GLU 1110Ca 0.65 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.80 2rqt s GLU 1110Cb -0.33 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2rqt s GLU 1110CO 0.28 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 2rqt n GLY 1111N 3.60 1.11 2.52 -1.50 0.00 -1.26 -4.66 105.19 105.00 2rqt n GLY 1111Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.66 0.10 1.61 -0.06 -0.68 -5.01 117.38 112.00 2rqt n GLN 1112Ca 0.00 -2.44 0.10 0.00 -2.00 0.00 0.00 57.00 52.66 2rqt n GLN 1112Cb 0.00 -1.40 0.44 0.00 -4.06 0.00 0.00 30.24 25.22 2rqt n GLN 1112CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2rqt n PRO 1113N 1.88 0.13 0.00 3.69 -0.02 -0.97 -1.78 135.00 137.93 2rqt n PRO 1113Ca 0.17 0.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 2rqt n PRO 1113Cb 0.57 -1.80 0.70 0.00 -0.02 0.00 0.00 33.50 32.95 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 -2.05 0.41 -3.53 -0.52 1.02 -1.26 -4.37 120.64 110.34 2rqt n GLU 1114Ca 0.01 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 2rqt n GLU 1114Cb 0.15 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 2rqt n GLU 1114CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2rqt s ARG 1115N -2.62 2.78 0.48 3.49 3.52 -0.74 -5.06 118.95 120.81 2rqt s ARG 1115Ca 0.26 -2.12 0.02 0.00 -0.13 0.00 0.00 55.73 53.77 2rqt s ARG 1115Cb 0.20 -4.01 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 2rqt s ARG 1115CO 0.48 -1.22 0.02 0.15 -0.81 0.00 0.00 175.30 173.93 2rqt s LYS 1116N 0.74 2.12 0.00 5.12 1.02 -1.26 -1.05 119.74 126.43 2rqt s LYS 1116Ca 0.11 -2.33 0.00 0.00 0.02 0.00 0.00 55.97 53.78 2rqt s LYS 1116Cb -0.21 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 2rqt s LYS 1116CO -0.03 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 2rqt n GLY 1117N -1.17 0.46 3.80 -3.33 0.00 -0.46 -4.40 105.19 100.09 2rqt n GLY 1117Ca -0.15 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.28 4.48 -0.02 1.61 -7.23 0.67 -1.45 120.40 116.19 2rqt s VAL 1118Ca 0.00 1.48 0.01 0.00 -1.81 0.00 0.00 61.98 61.66 2rqt s VAL 1118Cb 0.00 -3.99 0.01 0.00 0.56 0.00 0.00 36.38 32.96 2rqt s VAL 1118CO 0.00 0.38 -0.02 0.72 -0.31 0.00 0.00 175.10 175.87 2rqt s PHE 1119N -1.32 0.32 0.05 2.82 -0.71 0.70 -0.94 117.98 118.89 2rqt s PHE 1119Ca 0.39 -0.03 -0.30 0.00 -1.04 0.00 0.00 56.93 55.94 2rqt s PHE 1119Cb -0.20 -0.31 -0.08 0.00 -1.21 0.00 0.00 43.02 41.23 2rqt s PHE 1119CO 0.23 -0.07 1.65 -1.25 -1.34 0.00 0.00 175.22 174.44 2rqt s PRO 1120N 0.48 4.20 0.48 1.99 0.04 -1.26 -1.85 135.00 139.08 2rqt s PRO 1120Ca -0.05 2.30 0.25 0.00 0.04 0.00 0.00 61.00 63.54 2rqt s PRO 1120Cb -0.08 -3.67 1.19 0.00 0.04 0.00 0.00 34.50 31.98 2rqt s PRO 1120CO -0.01 -0.75 1.96 0.28 0.04 0.00 0.00 177.00 178.52 2rqt h VAL 1121N 4.94 0.64 0.00 -0.36 2.07 -1.27 -0.72 116.25 121.55 2rqt h VAL 1121Ca -0.42 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2rqt h VAL 1121Cb 1.20 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2rqt h VAL 1121CO 0.93 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 177.16 2rqt n SER 1122N -3.60 0.00 -0.83 0.57 3.41 -1.26 -2.35 113.62 109.56 2rqt n SER 1122Ca -0.01 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.94 2rqt n SER 1122Cb 0.32 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.40 0.10 -4.30 7.33 3.01 -0.28 -4.93 117.46 117.00 2rqt n PHE 1123Ca 0.08 -0.06 -0.18 0.00 1.01 0.00 0.00 57.45 58.30 2rqt n PHE 1123Cb 0.21 -0.00 -0.10 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 -1.55 1.51 -0.33 -4.37 -7.23 -0.99 -0.76 120.40 106.67 2rqt s VAL 1124Ca 0.25 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2rqt s VAL 1124Cb 0.17 -1.85 0.09 0.00 0.56 0.00 0.00 36.38 35.35 2rqt s VAL 1124CO 0.25 -0.56 0.04 -2.28 -0.31 0.00 0.00 175.10 172.24 2rqt s HIS 1125N -2.77 3.61 0.41 2.82 2.46 0.12 -4.76 115.29 117.18 2rqt s HIS 1125Ca 0.17 -2.69 -0.25 0.00 0.47 0.00 0.00 55.06 52.76 2rqt s HIS 1125Cb -0.01 -2.74 -0.08 0.00 -0.13 0.00 0.00 32.58 29.62 2rqt s HIS 1125CO 0.04 -0.93 1.26 0.42 -2.47 0.00 0.00 174.74 173.07 2rqt s ILE 1126N 1.01 2.76 -0.23 0.89 1.01 -1.26 0.25 121.20 125.62 2rqt s ILE 1126Ca 0.06 0.66 -0.05 0.00 0.00 0.00 0.00 60.65 61.31 2rqt s ILE 1126Cb -0.20 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2rqt s ILE 1126CO -0.06 0.08 0.00 -0.76 0.00 0.00 0.00 174.94 174.20 2rqt s LEU 1127N -2.53 3.12 -0.03 2.97 1.43 0.98 -4.86 118.68 119.76 2rqt s LEU 1127Ca 0.58 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 2rqt s LEU 1127Cb -0.36 -1.81 0.36 0.00 0.03 0.00 0.00 46.19 44.41 2rqt s LEU 1127CO 0.45 -0.02 1.24 -1.54 0.23 0.00 0.00 176.35 176.71 2rqt n SER 1128N 4.82 2.44 0.00 2.29 3.41 -1.26 -3.75 113.62 121.57 2rqt n SER 1128Ca -0.17 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 2rqt n SER 1128Cb 0.51 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21