#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 0.39 0.13 7.34 6.06 -1.26 -4.98 118.95 126.63 2rqt s ARG 1070Ca 0.00 -0.08 0.05 0.00 -2.50 0.00 0.00 55.73 53.19 2rqt s ARG 1070Cb 0.00 -0.50 -0.04 0.00 0.06 0.00 0.00 34.95 34.47 2rqt s ARG 1070CO 0.00 -1.05 -0.11 1.03 -2.50 0.00 0.00 175.30 172.67 2rqt s ARG 1071N 2.36 0.99 0.07 5.12 0.52 -1.26 -0.88 118.95 125.87 2rqt s ARG 1071Ca 0.10 -1.31 0.05 0.00 -0.52 0.00 0.00 55.73 54.05 2rqt s ARG 1071Cb -0.13 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 2rqt s ARG 1071CO -0.29 0.11 -0.14 0.14 0.02 0.00 0.00 175.30 175.14 2rqt s VAL 1072N -2.73 1.07 -0.35 3.52 -7.23 0.92 -0.26 120.40 115.33 2rqt s VAL 1072Ca 0.11 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2rqt s VAL 1072Cb -0.01 -1.07 0.09 0.00 0.56 0.00 0.00 36.38 35.95 2rqt s VAL 1072CO 0.01 -0.26 0.09 -0.75 -0.31 0.00 0.00 175.10 173.88 2rqt s LYS 1073N -1.81 1.94 0.19 4.82 2.47 0.10 -0.68 119.74 126.77 2rqt s LYS 1073Ca -0.02 -1.69 -0.33 0.00 -1.56 0.00 0.00 55.97 52.37 2rqt s LYS 1073Cb -0.09 -3.33 -0.14 0.00 -1.46 0.00 0.00 37.83 32.81 2rqt s LYS 1073CO 0.02 -0.90 1.45 0.25 0.16 0.00 0.00 175.35 176.34 2rqt n THR 1074N 4.48 0.48 0.05 3.43 -2.24 -0.35 0.42 114.28 120.56 2rqt n THR 1074Ca -0.03 -0.12 0.01 0.00 -2.27 0.00 0.00 64.05 61.63 2rqt n THR 1074Cb 0.42 -1.40 -0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 2.53 0.00 -4.28 2.28 -5.35 0.48 -0.30 119.36 114.73 2rqt n ILE 1075Ca 0.15 -0.48 -0.18 0.00 -0.27 0.00 0.00 62.75 61.97 2rqt n ILE 1075Cb 0.29 1.01 -0.14 0.00 -1.74 0.00 0.00 39.64 39.06 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 -0.75 0.86 0.22 4.28 2.02 -1.01 -4.79 117.35 118.18 2rqt s TYR 1076Ca 0.01 -0.27 -0.31 0.00 -0.37 0.00 0.00 57.07 56.13 2rqt s TYR 1076Cb 0.01 -0.53 -0.11 0.00 -0.40 0.00 0.00 41.96 40.93 2rqt s TYR 1076CO 0.03 -0.01 1.57 0.34 -1.57 0.00 0.00 175.55 175.91 2rqt s ASP 1077N -0.74 6.52 -0.36 2.29 2.15 -1.26 -4.09 116.67 121.18 2rqt s ASP 1077Ca 0.00 2.74 0.00 0.00 0.43 0.00 0.00 52.55 55.73 2rqt s ASP 1077Cb -0.06 -2.61 0.12 0.00 -0.30 0.00 0.00 42.92 40.07 2rqt s ASP 1077CO 0.00 -0.84 0.17 0.00 -0.17 0.00 0.00 175.17 174.33 2rqt s GLN 1079N 1.10 3.33 0.39 0.00 -2.07 -1.26 -1.15 119.66 120.00 2rqt s GLN 1079Ca 0.14 -1.57 -0.26 0.00 -1.82 0.00 0.00 55.36 51.85 2rqt s GLN 1079Cb -0.21 -4.51 -0.11 0.00 -1.09 0.00 0.00 33.01 27.10 2rqt s GLN 1079CO -0.12 -1.63 1.25 0.00 -1.32 0.00 0.00 175.29 173.47 2rqt n ALA 1080N 6.26 1.15 -0.11 2.60 0.00 -1.26 -4.94 120.51 124.21 2rqt n ALA 1080Ca 0.06 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 2rqt n ALA 1080Cb 0.46 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.53 2rqt n ALA 1080CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rqt n ASP 1081N 0.47 0.86 -4.92 0.00 2.03 -1.26 -4.96 116.55 108.78 2rqt n ASP 1081Ca 0.06 -0.03 -0.26 0.00 0.52 0.00 0.00 54.79 55.08 2rqt n ASP 1081Cb 0.38 0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 41.13 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 -5.96 6.29 0.37 1.67 -0.87 -1.26 -4.99 114.94 110.19 2rqt s ASN 1082Ca -0.20 0.74 0.20 0.00 -1.57 0.00 0.00 52.86 52.03 2rqt s ASN 1082Cb 0.07 -2.16 0.48 0.00 -0.02 0.00 0.00 41.25 39.62 2rqt s ASN 1082CO 0.74 -0.45 1.64 0.44 -2.57 0.00 0.00 177.10 176.89 2rqt h ASP 1083N 0.49 0.00 1.37 -1.22 3.32 -2.01 -3.15 116.42 115.22 2rqt h ASP 1083Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2rqt h ASP 1083Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2rqt h ASP 1083CO 0.62 0.32 -0.65 -0.78 -1.72 0.00 0.00 179.24 177.03 2rqt h ASP 1084N 0.00 0.00 -3.95 6.45 3.58 -1.94 -3.45 116.42 117.11 2rqt h ASP 1084Ca -0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2rqt h ASP 1084Cb 1.05 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.12 2rqt h ASP 1084CO 0.04 0.31 0.41 -1.61 -2.88 0.00 0.00 179.24 175.51 2rqt s GLU 1085N -3.08 4.21 0.06 0.28 2.02 -1.19 -0.46 118.70 120.53 2rqt s GLU 1085Ca 0.03 1.50 -0.15 0.00 0.02 0.00 0.00 54.97 56.36 2rqt s GLU 1085Cb 0.07 -2.57 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 2rqt s GLU 1085CO 0.75 -0.10 0.48 -1.17 0.02 0.00 0.00 175.26 175.24 2rqt s LEU 1086N -2.58 4.45 -0.25 1.80 2.96 -0.18 -4.77 118.68 120.11 2rqt s LEU 1086Ca 0.57 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 55.44 2rqt s LEU 1086Cb -0.22 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 2rqt s LEU 1086CO 0.27 0.25 0.14 -0.89 -1.32 0.00 0.00 176.35 174.81 2rqt s THR 1087N -1.20 5.10 0.16 3.68 2.01 -1.26 -4.08 115.64 120.05 2rqt s THR 1087Ca 0.29 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 2rqt s THR 1087Cb -0.17 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 68.99 2rqt s THR 1087CO 0.17 0.33 0.46 0.72 -0.69 0.00 0.00 174.62 175.60 2rqt s PHE 1088N 1.29 -0.17 0.37 4.92 -0.12 -0.30 -4.97 117.98 119.01 2rqt s PHE 1088Ca 0.07 -0.15 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 2rqt s PHE 1088Cb -0.14 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.50 2rqt s PHE 1088CO 0.06 -0.80 -0.00 0.96 -0.05 0.00 0.00 175.22 175.39 2rqt s ILE 1089N -3.83 2.31 -0.04 -4.49 -0.00 -1.26 -0.83 121.20 113.06 2rqt s ILE 1089Ca 0.06 -2.02 -0.31 0.00 -0.00 0.00 0.00 60.65 58.38 2rqt s ILE 1089Cb 0.01 -2.83 -0.10 0.00 -0.00 0.00 0.00 42.46 39.54 2rqt s ILE 1089CO -0.08 -0.13 1.97 -0.62 -0.00 0.00 0.00 174.94 176.08 2rqt n GLU 1090N -0.94 2.52 0.00 0.37 4.71 -1.26 -2.31 120.64 123.73 2rqt n GLU 1090Ca -0.04 0.91 0.00 0.00 -0.01 0.00 0.00 57.16 58.02 2rqt n GLU 1090Cb 0.64 -2.89 0.00 0.00 -1.01 0.00 0.00 31.44 28.18 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 4.65 1.00 3.75 0.62 0.00 0.59 -4.95 105.19 110.86 2rqt n GLY 1091Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 4.51 -0.19 1.61 0.41 -0.98 -4.83 118.70 119.17 2rqt s GLU 1092Ca 0.00 1.09 -0.18 0.00 -0.41 0.00 0.00 54.97 55.47 2rqt s GLU 1092Cb 0.00 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.98 2rqt s GLU 1092CO 0.00 0.36 0.51 0.08 -0.49 0.00 0.00 175.26 175.73 2rqt s VAL 1093N -0.36 5.11 -0.12 2.63 1.01 -1.26 -1.21 120.40 126.21 2rqt s VAL 1093Ca 0.38 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.32 2rqt s VAL 1093Cb -0.21 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2rqt s VAL 1093CO 0.24 0.19 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 2rqt s ILE 1094N 1.56 2.59 -0.26 2.22 1.01 0.14 -0.17 121.20 128.30 2rqt s ILE 1094Ca 0.24 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 2rqt s ILE 1094Cb -0.15 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2rqt s ILE 1094CO 0.10 0.54 0.55 -0.63 0.00 0.00 0.00 174.94 175.49 2rqt s ILE 1095N 0.44 5.04 -0.25 2.92 1.01 -0.23 -0.06 121.20 130.07 2rqt s ILE 1095Ca -0.13 0.93 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 2rqt s ILE 1095Cb -0.17 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2rqt s ILE 1095CO 0.06 0.05 1.62 -0.69 0.00 0.00 0.00 174.94 175.97 2rqt s VAL 1096N 2.38 3.69 -0.84 2.92 1.01 -0.06 -1.69 120.40 127.81 2rqt s VAL 1096Ca 0.23 0.77 0.13 0.00 0.00 0.00 0.00 61.98 63.10 2rqt s VAL 1096Cb -0.16 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 2rqt s VAL 1096CO 0.09 -0.35 0.62 0.35 0.00 0.00 0.00 175.10 175.81 2rqt n THR 1097N 6.59 0.00 -3.78 3.92 -2.24 0.80 -4.82 114.28 114.75 2rqt n THR 1097Ca 0.19 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 2rqt n THR 1097Cb 0.46 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.96 -0.14 -0.04 3.38 0.00 0.95 -4.93 107.32 104.58 2rqt s GLY 1098Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 2rqt s GLY 1098CO 0.44 0.47 0.07 -0.54 0.00 0.00 0.00 173.10 173.55 2rqt s GLU 1099N -3.00 0.00 -0.18 2.90 2.02 -1.26 -0.17 118.70 119.01 2rqt s GLU 1099Ca 0.14 0.27 -0.12 0.00 0.02 0.00 0.00 54.97 55.28 2rqt s GLU 1099Cb -0.02 -0.24 -0.07 0.00 0.10 0.00 0.00 34.13 33.90 2rqt s GLU 1099CO 0.03 -0.18 -0.28 0.39 0.02 0.00 0.00 175.26 175.24 2rqt n GLU 1100N 4.29 0.44 -1.50 1.61 -0.58 -0.48 -4.87 120.64 119.56 2rqt n GLU 1100Ca -0.25 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2rqt n GLU 1100Cb 0.51 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 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 -4.09 0.33 -0.02 1.62 2.03 0.86 -5.00 116.55 112.27 2rqt n ASP 1101Ca -0.30 -0.75 -0.14 0.00 0.52 0.00 0.00 54.79 54.13 2rqt n ASP 1101Cb 0.64 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.71 0.00 -0.67 5.75 -2.02 -3.29 115.11 115.59 2rqt h GLN 1102Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 2rqt h GLN 1102Cb 0.00 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.63 2rqt h GLN 1102CO 0.00 1.13 -0.02 -0.85 -2.65 0.00 0.00 178.83 176.43 2rqt n GLU 1103N -3.95 1.40 -3.57 1.69 0.28 -1.26 -4.85 120.64 110.38 2rqt n GLU 1103Ca -0.05 -2.39 -0.24 0.00 -0.16 0.00 0.00 57.16 54.32 2rqt n GLU 1103Cb 0.67 -1.40 -0.16 0.00 1.43 0.00 0.00 31.44 31.98 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 -2.55 0.07 0.48 -1.84 0.52 -1.24 -0.19 118.94 114.18 2rqt s TRP 1104Ca 0.27 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.23 2rqt s TRP 1104Cb 0.24 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.93 2rqt s TRP 1104CO 0.03 -0.57 0.20 -1.58 0.02 0.00 0.00 176.95 175.04 2rqt s TRP 1105N 2.19 2.10 -0.05 -1.98 0.51 -0.74 -0.10 118.94 120.88 2rqt s TRP 1105Ca 0.04 -0.77 0.06 0.00 -2.12 0.00 0.00 56.10 53.32 2rqt s TRP 1105Cb -0.16 -1.85 -0.01 0.00 -0.81 0.00 0.00 33.47 30.64 2rqt s TRP 1105CO -0.13 -0.00 -0.24 0.42 -0.51 0.00 0.00 176.95 176.49 2rqt s ILE 1106N -2.73 1.96 0.00 2.03 1.01 0.76 -0.66 121.20 123.57 2rqt s ILE 1106Ca 0.29 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2rqt s ILE 1106Cb 0.02 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2rqt s ILE 1106CO 0.17 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.27 2rqt n GLY 1107N 2.83 1.47 3.15 6.18 0.00 -0.39 -0.03 105.19 118.40 2rqt n GLY 1107Ca -0.17 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.52 0.93 0.10 1.61 -3.43 -0.68 -1.20 115.29 108.11 2rqt s HIS 1108Ca 0.00 -0.67 -0.30 0.00 -0.80 0.00 0.00 55.06 53.29 2rqt s HIS 1108Cb 0.00 -0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 30.56 2rqt s HIS 1108CO 0.00 -0.05 1.14 0.42 -2.00 0.00 0.00 174.74 174.25 2rqt s ILE 1109N -2.42 4.03 0.14 -5.38 -1.09 -0.00 -1.07 121.20 115.41 2rqt s ILE 1109Ca 0.03 1.57 -0.30 0.00 -2.23 0.00 0.00 60.65 59.71 2rqt s ILE 1109Cb -0.03 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 2rqt s ILE 1109CO -0.01 0.18 1.23 -1.61 -1.23 0.00 0.00 174.94 173.51 2rqt s GLU 1110N 0.46 4.44 0.00 2.79 0.41 0.76 -1.92 118.70 125.65 2rqt s GLU 1110Ca 0.54 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 56.99 2rqt s GLU 1110Cb -0.29 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 2rqt s GLU 1110CO 0.32 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.30 2rqt n GLY 1111N 2.67 2.69 2.33 -1.39 0.00 -1.26 -4.79 105.19 105.43 2rqt n GLY 1111Ca 0.07 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 1.03 0.00 1.61 7.27 -1.12 -4.97 117.38 121.19 2rqt n GLN 1112Ca 0.00 -3.58 0.10 0.00 0.07 0.00 0.00 57.00 53.59 2rqt n GLN 1112Cb 0.00 -1.58 0.54 0.00 2.41 0.00 0.00 30.24 31.61 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 1.64 0.43 0.09 3.69 -0.02 -0.81 -1.69 135.00 138.32 2rqt n PRO 1113Ca 0.24 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2rqt n PRO 1113Cb 0.48 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.17 0.24 -2.82 -0.52 -0.58 -1.26 -4.40 120.64 110.13 2rqt n GLU 1114Ca 0.12 0.18 -0.43 0.00 -0.42 0.00 0.00 57.16 56.61 2rqt n GLU 1114Cb 0.12 -1.76 -0.03 0.00 -0.57 0.00 0.00 31.44 29.20 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 -3.10 3.38 0.30 3.49 0.52 -0.68 -4.99 118.95 117.86 2rqt s ARG 1115Ca 0.10 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.16 2rqt s ARG 1115Cb 0.13 -4.66 -0.06 0.00 0.52 0.00 0.00 34.95 30.88 2rqt s ARG 1115CO 0.61 -1.88 -0.01 0.15 0.02 0.00 0.00 175.30 174.19 2rqt s LYS 1116N 3.76 1.58 0.00 3.54 1.02 -1.26 -0.82 119.74 127.57 2rqt s LYS 1116Ca 0.31 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.46 2rqt s LYS 1116Cb -0.09 -1.02 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 2rqt s LYS 1116CO -0.00 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2rqt n GLY 1117N -0.62 0.36 3.81 -3.33 0.00 -0.34 -4.64 105.19 100.43 2rqt n GLY 1117Ca -0.04 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.23 4.74 -0.01 1.61 -7.23 0.39 -1.26 120.40 115.42 2rqt s VAL 1118Ca 0.00 1.18 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 2rqt s VAL 1118Cb 0.00 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 33.07 2rqt s VAL 1118CO 0.00 0.51 0.00 0.72 -0.31 0.00 0.00 175.10 176.02 2rqt s PHE 1119N -1.16 0.08 -0.01 2.82 -0.71 0.17 -1.01 117.98 118.15 2rqt s PHE 1119Ca 0.30 0.02 -0.30 0.00 -1.04 0.00 0.00 56.93 55.92 2rqt s PHE 1119Cb -0.19 -0.12 -0.06 0.00 -1.21 0.00 0.00 43.02 41.44 2rqt s PHE 1119CO 0.19 -0.03 1.62 -1.25 -1.34 0.00 0.00 175.22 174.41 2rqt s PRO 1120N 0.32 4.20 0.45 1.99 0.04 -1.26 -1.78 135.00 138.96 2rqt s PRO 1120Ca -0.03 2.20 0.18 0.00 0.04 0.00 0.00 61.00 63.39 2rqt s PRO 1120Cb -0.04 -3.83 1.06 0.00 0.04 0.00 0.00 34.50 31.73 2rqt s PRO 1120CO -0.01 -0.78 1.96 0.28 0.04 0.00 0.00 177.00 178.50 2rqt h VAL 1121N 5.28 0.98 0.00 -0.36 2.07 -0.91 -1.08 116.25 122.23 2rqt h VAL 1121Ca -0.40 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2rqt h VAL 1121Cb 1.18 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2rqt h VAL 1121CO 0.94 0.21 0.00 0.28 0.02 0.00 0.00 177.57 179.02 2rqt h SER 1122N 0.00 0.00 -0.23 0.57 0.02 -1.91 -2.10 113.55 109.90 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 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2rqt h SER 1122CO 0.03 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.21 2rqt n PHE 1123N -2.53 0.28 -4.30 3.45 3.01 -0.41 -4.93 117.46 112.04 2rqt n PHE 1123Ca 0.00 -0.14 -0.18 0.00 1.01 0.00 0.00 57.45 58.14 2rqt n PHE 1123Cb 0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.72 1.56 -0.37 -4.37 -7.23 -0.79 -0.39 120.40 107.09 2rqt s VAL 1124Ca 0.34 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 2rqt s VAL 1124Cb 0.22 -1.83 0.10 0.00 0.56 0.00 0.00 36.38 35.43 2rqt s VAL 1124CO 0.31 -0.51 0.13 -2.28 -0.31 0.00 0.00 175.10 172.45 2rqt s HIS 1125N -2.59 3.61 0.47 2.82 2.46 0.17 -4.81 115.29 117.43 2rqt s HIS 1125Ca 0.16 -2.55 -0.24 0.00 0.47 0.00 0.00 55.06 52.90 2rqt s HIS 1125Cb -0.03 -3.01 -0.07 0.00 -0.13 0.00 0.00 32.58 29.34 2rqt s HIS 1125CO 0.05 -0.95 1.38 0.42 -2.47 0.00 0.00 174.74 173.17 2rqt s ILE 1126N 1.08 2.18 -0.24 0.89 1.01 -1.26 0.00 121.20 124.85 2rqt s ILE 1126Ca 0.08 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 2rqt s ILE 1126Cb -0.21 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2rqt s ILE 1126CO -0.05 0.01 0.11 -0.76 0.00 0.00 0.00 174.94 174.26 2rqt s LEU 1127N -2.91 3.75 -0.37 2.97 1.43 0.64 -4.84 118.68 119.35 2rqt s LEU 1127Ca 0.63 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2rqt s LEU 1127Cb -0.42 -2.01 0.56 0.00 0.03 0.00 0.00 46.19 44.35 2rqt s LEU 1127CO 0.52 0.01 1.75 -1.54 0.23 0.00 0.00 176.35 177.33 2rqt n SER 1128N 4.62 3.65 0.00 2.29 3.41 -1.26 -4.28 113.62 122.05 2rqt n SER 1128Ca -0.15 -3.32 0.13 0.00 -0.26 0.00 0.00 58.87 55.27 2rqt n SER 1128Cb 0.52 -0.78 0.77 0.00 -0.26 0.00 0.00 64.21 64.46 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21