#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqt n ARG 1070N 0.00 2.52 -4.30 7.34 1.74 -1.26 -4.20 116.66 118.50 2rqt n ARG 1070Ca 0.00 0.92 -0.16 0.00 -0.77 0.00 0.00 57.85 57.83 2rqt n ARG 1070Cb 0.00 -2.77 -0.10 0.00 -1.02 0.00 0.00 32.46 28.57 2rqt n ARG 1070CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2rqt s ARG 1071N 2.45 1.21 -0.01 5.56 0.52 -1.17 -0.71 118.95 126.80 2rqt s ARG 1071Ca 0.83 -1.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 2rqt s ARG 1071Cb -0.57 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.11 2rqt s ARG 1071CO 0.40 0.08 0.08 0.14 0.02 0.00 0.00 175.30 176.01 2rqt s VAL 1072N -3.23 0.04 -0.25 3.52 -7.23 0.11 0.06 120.40 113.43 2rqt s VAL 1072Ca 0.21 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 2rqt s VAL 1072Cb 0.02 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.75 2rqt s VAL 1072CO 0.04 -0.20 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.84 2rqt s LYS 1073N -0.62 2.90 -0.24 4.82 2.20 0.96 0.07 119.74 129.83 2rqt s LYS 1073Ca -0.07 -0.94 -0.31 0.00 -0.36 0.00 0.00 55.97 54.29 2rqt s LYS 1073Cb -0.04 -3.02 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 2rqt s LYS 1073CO 0.00 -0.39 2.17 0.25 -0.36 0.00 0.00 175.35 177.02 2rqt n THR 1074N 4.70 0.33 0.43 3.43 -2.24 -0.27 0.30 114.28 120.96 2rqt n THR 1074Ca -0.16 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2rqt n THR 1074Cb 0.47 -2.15 0.18 0.00 -2.10 0.00 0.00 70.33 66.73 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 7.19 0.39 -4.03 2.28 -5.35 -0.47 -0.55 119.36 118.82 2rqt n ILE 1075Ca 0.33 -0.69 -0.15 0.00 -0.27 0.00 0.00 62.75 61.97 2rqt n ILE 1075Cb 0.35 1.09 -0.15 0.00 -1.74 0.00 0.00 39.64 39.20 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 -1.53 0.29 0.09 4.28 2.02 -0.97 -4.94 117.35 116.59 2rqt s TYR 1076Ca 0.34 -0.05 -0.31 0.00 -0.37 0.00 0.00 57.07 56.69 2rqt s TYR 1076Cb 0.21 -0.21 -0.08 0.00 -0.40 0.00 0.00 41.96 41.48 2rqt s TYR 1076CO 0.29 -0.02 1.45 0.34 -1.57 0.00 0.00 175.55 176.04 2rqt s ASP 1077N 0.09 6.77 -0.41 2.29 2.15 -1.26 -4.15 116.67 122.16 2rqt s ASP 1077Ca -0.01 2.33 0.02 0.00 0.43 0.00 0.00 52.55 55.32 2rqt s ASP 1077Cb -0.03 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 40.13 2rqt s ASP 1077CO -0.00 -0.72 0.18 0.00 -0.17 0.00 0.00 175.17 174.46 2rqt s GLN 1079N 0.65 3.65 0.34 0.00 -0.21 -1.26 -1.27 119.66 121.56 2rqt s GLN 1079Ca 0.15 -1.82 -0.26 0.00 0.02 0.00 0.00 55.36 53.45 2rqt s GLN 1079Cb -0.22 -4.95 -0.13 0.00 1.00 0.00 0.00 33.01 28.71 2rqt s GLN 1079CO -0.07 -1.79 0.92 0.00 -2.12 0.00 0.00 175.29 172.23 2rqt n ALA 1080N 6.56 -0.39 -0.07 6.09 0.00 -1.26 -4.93 120.51 126.51 2rqt n ALA 1080Ca 0.26 0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 2rqt n ALA 1080Cb 0.49 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.80 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 1.05 0.69 -4.52 0.00 2.03 -1.26 -4.92 116.55 109.62 2rqt n ASP 1081Ca 0.10 0.13 -0.29 0.00 0.52 0.00 0.00 54.79 55.25 2rqt n ASP 1081Cb 0.35 0.34 -0.11 0.00 -0.72 0.00 0.00 41.12 40.98 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 -5.93 4.05 0.00 1.67 0.01 -1.26 -5.01 114.94 108.46 2rqt s ASN 1082Ca -0.12 -0.53 0.24 0.00 -0.71 0.00 0.00 52.86 51.74 2rqt s ASN 1082Cb 0.07 -0.63 1.21 0.00 0.41 0.00 0.00 41.25 42.30 2rqt s ASN 1082CO 0.80 0.17 1.78 -0.67 -1.51 0.00 0.00 177.10 177.66 2rqt n ASP 1083N 0.66 0.00 0.14 -1.22 2.03 -1.26 -1.26 116.55 115.64 2rqt n ASP 1083Ca -0.14 -0.09 0.01 0.00 0.52 0.00 0.00 54.79 55.09 2rqt n ASP 1083Cb 0.53 -0.27 0.11 0.00 -0.72 0.00 0.00 41.12 40.77 2rqt n ASP 1083CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2rqt h ASP 1084N 0.00 0.00 -3.57 1.67 5.19 -1.95 -3.45 116.42 114.31 2rqt h ASP 1084Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2rqt h ASP 1084Cb 0.21 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 2rqt h ASP 1084CO 0.00 0.59 0.05 -1.61 -3.12 0.00 0.00 179.24 175.15 2rqt s GLU 1085N -3.20 4.06 0.14 3.56 2.02 -0.39 -2.86 118.70 122.03 2rqt s GLU 1085Ca 0.01 0.67 -0.25 0.00 0.02 0.00 0.00 54.97 55.42 2rqt s GLU 1085Cb 0.10 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.56 2rqt s GLU 1085CO 0.75 0.31 0.75 -1.17 0.02 0.00 0.00 175.26 175.92 2rqt s LEU 1086N -2.44 4.56 -0.23 1.80 2.96 -0.79 -4.79 118.68 119.75 2rqt s LEU 1086Ca 0.47 1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 55.86 2rqt s LEU 1086Cb -0.13 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 2rqt s LEU 1086CO 0.19 0.19 0.12 -0.89 -1.32 0.00 0.00 176.35 174.64 2rqt s THR 1087N -0.96 4.99 0.20 3.68 2.01 -1.26 -4.19 115.64 120.11 2rqt s THR 1087Ca 0.35 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 2rqt s THR 1087Cb -0.22 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.01 2rqt s THR 1087CO 0.25 0.36 0.58 0.72 -0.69 0.00 0.00 174.62 175.85 2rqt s PHE 1088N 1.06 -0.28 0.36 4.92 -0.12 -0.40 -4.98 117.98 118.55 2rqt s PHE 1088Ca 0.06 -0.04 0.09 0.00 -0.05 0.00 0.00 56.93 56.99 2rqt s PHE 1088Cb -0.14 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.69 2rqt s PHE 1088CO 0.04 -0.95 -0.07 0.96 -0.05 0.00 0.00 175.22 175.15 2rqt s ILE 1089N -3.84 2.17 -0.11 -4.49 -0.00 -1.26 -0.85 121.20 112.82 2rqt s ILE 1089Ca 0.06 -2.15 -0.35 0.00 -0.00 0.00 0.00 60.65 58.21 2rqt s ILE 1089Cb -0.02 -2.73 -0.13 0.00 -0.00 0.00 0.00 42.46 39.59 2rqt s ILE 1089CO -0.05 -0.15 1.84 -0.62 -0.00 0.00 0.00 174.94 175.96 2rqt n GLU 1090N -0.83 1.98 0.00 0.37 1.02 -1.26 -2.42 120.64 119.49 2rqt n GLU 1090Ca -0.05 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2rqt n GLU 1090Cb 0.64 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 2rqt n GLU 1090CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rqt n GLY 1091N 4.30 1.15 3.72 0.62 0.00 0.28 -5.01 105.19 110.24 2rqt n GLY 1091Ca 0.23 0.00 -0.41 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 -0.09 4.54 -0.06 1.61 0.41 -1.02 -4.82 118.70 119.26 2rqt s GLU 1092Ca 0.00 1.25 -0.22 0.00 -0.41 0.00 0.00 54.97 55.59 2rqt s GLU 1092Cb 0.00 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.87 2rqt s GLU 1092CO 0.00 0.05 0.65 0.08 -0.49 0.00 0.00 175.26 175.55 2rqt s VAL 1093N 0.72 5.04 -0.06 2.63 1.01 -1.26 -1.11 120.40 127.37 2rqt s VAL 1093Ca 0.46 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.84 2rqt s VAL 1093Cb -0.20 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2rqt s VAL 1093CO 0.25 0.29 -0.23 -0.63 0.00 0.00 0.00 175.10 174.78 2rqt s ILE 1094N 0.61 1.91 -0.28 2.22 1.01 0.11 0.36 121.20 127.14 2rqt s ILE 1094Ca 0.35 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 2rqt s ILE 1094Cb -0.17 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2rqt s ILE 1094CO 0.17 0.53 0.42 -0.63 0.00 0.00 0.00 174.94 175.43 2rqt s ILE 1095N -0.09 5.13 -0.32 2.92 1.01 0.11 0.07 121.20 130.03 2rqt s ILE 1095Ca -0.04 0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 2rqt s ILE 1095Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2rqt s ILE 1095CO 0.04 0.09 1.58 -0.69 0.00 0.00 0.00 174.94 175.95 2rqt s VAL 1096N 2.16 3.74 -0.04 2.92 1.01 0.12 -1.75 120.40 128.56 2rqt s VAL 1096Ca 0.17 0.79 0.21 0.00 0.00 0.00 0.00 61.98 63.15 2rqt s VAL 1096Cb -0.16 -3.88 -0.33 0.00 0.00 0.00 0.00 36.38 32.01 2rqt s VAL 1096CO 0.10 -0.48 0.45 0.35 0.00 0.00 0.00 175.10 175.52 2rqt n THR 1097N 6.88 0.05 -3.83 3.92 -2.24 -0.04 -4.54 114.28 114.48 2rqt n THR 1097Ca 0.19 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 2rqt n THR 1097Cb 0.47 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 -4.49 0.12 -0.01 3.38 0.00 0.48 -4.97 107.32 101.82 2rqt s GLY 1098Ca -0.08 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.26 2rqt s GLY 1098CO 0.88 0.72 -0.08 -0.54 0.00 0.00 0.00 173.10 174.09 2rqt s GLU 1099N -2.62 0.72 -0.06 2.90 8.01 -1.26 -0.07 118.70 126.31 2rqt s GLU 1099Ca 0.17 -0.26 0.05 0.00 0.01 0.00 0.00 54.97 54.93 2rqt s GLU 1099Cb -0.04 -0.69 -0.08 0.00 -4.31 0.00 0.00 34.13 29.02 2rqt s GLU 1099CO 0.07 0.13 0.01 -0.85 0.01 0.00 0.00 175.26 174.63 2rqt n GLU 1100N 3.09 2.67 -4.19 1.61 0.28 -0.76 -4.86 120.64 118.48 2rqt n GLU 1100Ca -0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.66 2rqt n GLU 1100Cb 0.56 -1.16 -0.07 0.00 1.43 0.00 0.00 31.44 32.19 2rqt n GLU 1100CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2rqt n ASP 1101N -2.29 -0.76 0.11 -1.84 2.03 0.54 -4.99 116.55 109.35 2rqt n ASP 1101Ca -0.11 -3.15 -0.00 0.00 0.52 0.00 0.00 54.79 52.05 2rqt n ASP 1101Cb 0.70 1.73 -0.02 0.00 -0.72 0.00 0.00 41.12 42.81 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 0.00 -0.19 -0.67 4.15 -2.02 -3.25 115.11 113.14 2rqt h GLN 1102Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2rqt h GLN 1102Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2rqt h GLN 1102CO 0.34 0.61 0.00 -0.85 -1.93 0.00 0.00 178.83 177.00 2rqt n GLU 1103N -3.23 2.90 -3.68 1.69 0.28 -1.26 -4.90 120.64 112.45 2rqt n GLU 1103Ca 0.00 -1.84 -0.27 0.00 -0.16 0.00 0.00 57.16 54.89 2rqt n GLU 1103Cb 0.80 -1.17 -0.17 0.00 1.43 0.00 0.00 31.44 32.33 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 -1.08 0.63 0.35 -1.84 0.52 -1.23 -1.40 118.94 114.89 2rqt s TRP 1104Ca 0.14 -0.60 0.08 0.00 0.02 0.00 0.00 56.10 55.74 2rqt s TRP 1104Cb 0.08 -0.87 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 2rqt s TRP 1104CO 0.08 -0.56 0.15 -1.58 0.02 0.00 0.00 176.95 175.06 2rqt s TRP 1105N 1.99 2.68 -0.04 -1.98 0.51 -0.70 -0.34 118.94 121.06 2rqt s TRP 1105Ca 0.00 -0.42 0.06 0.00 -2.12 0.00 0.00 56.10 53.63 2rqt s TRP 1105Cb -0.17 -1.70 -0.01 0.00 -0.81 0.00 0.00 33.47 30.78 2rqt s TRP 1105CO -0.08 0.30 -0.23 0.42 -0.51 0.00 0.00 176.95 176.85 2rqt s ILE 1106N -2.46 1.87 0.00 2.03 1.01 0.90 -0.46 121.20 124.09 2rqt s ILE 1106Ca 0.38 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2rqt s ILE 1106Cb -0.01 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2rqt s ILE 1106CO 0.23 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.30 2rqt n GLY 1107N 2.77 1.69 3.12 6.18 0.00 -0.70 -0.39 105.19 117.86 2rqt n GLY 1107Ca -0.17 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.14 -0.02 0.04 1.61 -3.43 -0.71 -1.40 115.29 109.24 2rqt s HIS 1108Ca 0.00 -0.00 -0.30 0.00 -0.80 0.00 0.00 55.06 53.95 2rqt s HIS 1108Cb 0.00 -0.01 -0.07 0.00 -1.43 0.00 0.00 32.58 31.06 2rqt s HIS 1108CO 0.00 -0.28 1.56 0.42 -2.00 0.00 0.00 174.74 174.44 2rqt s ILE 1109N -1.19 3.32 -0.01 -5.38 -1.09 0.57 0.06 121.20 117.49 2rqt s ILE 1109Ca -0.13 0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 58.72 2rqt s ILE 1109Cb -0.06 -3.47 -0.08 0.00 -1.58 0.00 0.00 42.46 37.27 2rqt s ILE 1109CO 0.02 -0.01 1.94 -0.70 -1.23 0.00 0.00 174.94 174.96 2rqt s GLU 1110N 2.62 4.03 0.00 2.79 2.12 0.16 -0.80 118.70 129.62 2rqt s GLU 1110Ca 0.70 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.48 2rqt s GLU 1110Cb -0.36 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 29.87 2rqt s GLU 1110CO 0.30 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 2rqt n GLY 1111N 4.62 3.25 2.78 -1.50 0.00 -1.26 -4.78 105.19 108.30 2rqt n GLY 1111Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.57 2.05 0.00 1.61 1.11 0.02 -4.95 119.66 118.94 2rqt s GLN 1112Ca 0.00 -2.99 0.21 0.00 0.01 0.00 0.00 55.36 52.59 2rqt s GLN 1112Cb 0.00 -2.93 1.11 0.00 -1.01 0.00 0.00 33.01 30.17 2rqt s GLN 1112CO 0.00 -1.30 1.68 -2.30 0.01 0.00 0.00 175.29 173.38 2rqt n PRO 1113N 2.27 0.36 -0.02 2.91 -0.02 -1.24 -1.91 135.00 137.36 2rqt n PRO 1113Ca 0.21 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2rqt n PRO 1113Cb 0.38 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 32.94 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 -1.24 1.44 -3.92 -0.52 -0.58 -1.26 -4.44 120.64 110.11 2rqt n GLU 1114Ca 0.11 -0.65 -0.29 0.00 -0.42 0.00 0.00 57.16 55.91 2rqt n GLU 1114Cb 0.16 -1.44 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 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 -1.95 2.11 0.50 3.49 1.81 -0.80 -5.08 118.95 119.04 2rqt s ARG 1115Ca 0.37 -2.85 0.03 0.00 -1.72 0.00 0.00 55.73 51.56 2rqt s ARG 1115Cb 0.19 -3.31 -0.02 0.00 -0.45 0.00 0.00 34.95 31.37 2rqt s ARG 1115CO 0.31 -1.17 0.06 0.15 -0.68 0.00 0.00 175.30 173.97 2rqt s LYS 1116N -0.67 2.18 0.00 3.54 1.02 -1.26 -0.31 119.74 124.24 2rqt s LYS 1116Ca 0.20 -2.30 0.00 0.00 0.02 0.00 0.00 55.97 53.89 2rqt s LYS 1116Cb -0.18 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2rqt s LYS 1116CO -0.06 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 2rqt n GLY 1117N -1.29 0.70 3.89 -3.33 0.00 -0.49 -4.51 105.19 100.15 2rqt n GLY 1117Ca -0.15 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.87 5.34 -0.02 1.61 -7.23 -1.14 -1.72 120.40 114.39 2rqt s VAL 1118Ca 0.00 0.10 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 2rqt s VAL 1118Cb 0.00 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.41 2rqt s VAL 1118CO 0.00 0.37 0.03 0.72 -0.31 0.00 0.00 175.10 175.91 2rqt s PHE 1119N -1.29 0.01 0.08 2.82 -0.71 0.39 -1.89 117.98 117.38 2rqt s PHE 1119Ca 0.27 0.10 -0.31 0.00 -1.04 0.00 0.00 56.93 55.95 2rqt s PHE 1119Cb -0.13 -0.14 -0.08 0.00 -1.21 0.00 0.00 43.02 41.46 2rqt s PHE 1119CO 0.16 -0.06 1.65 -1.25 -1.34 0.00 0.00 175.22 174.38 2rqt s PRO 1120N 0.66 4.20 0.47 1.99 0.04 -1.26 -1.73 135.00 139.37 2rqt s PRO 1120Ca -0.05 2.34 0.20 0.00 0.04 0.00 0.00 61.00 63.52 2rqt s PRO 1120Cb -0.08 -3.56 1.16 0.00 0.04 0.00 0.00 34.50 32.06 2rqt s PRO 1120CO -0.02 -0.72 2.00 0.28 0.04 0.00 0.00 177.00 178.58 2rqt h VAL 1121N 4.74 0.89 0.00 -0.36 2.07 -1.58 -1.18 116.25 120.83 2rqt h VAL 1121Ca -0.43 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2rqt h VAL 1121Cb 1.20 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2rqt h VAL 1121CO 0.93 0.18 0.00 -0.24 0.02 0.00 0.00 177.57 178.46 2rqt n SER 1122N -3.97 0.00 -0.79 0.57 2.88 -1.26 -2.39 113.62 108.66 2rqt n SER 1122Ca -0.02 0.19 0.12 0.00 -1.33 0.00 0.00 58.87 57.83 2rqt n SER 1122Cb 0.27 -0.38 0.21 0.00 -0.75 0.00 0.00 64.21 63.55 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2rqt n PHE 1123N -1.38 0.00 -4.20 0.66 3.01 -0.45 -4.95 117.46 110.15 2rqt n PHE 1123Ca 0.09 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.38 2rqt n PHE 1123Cb 0.23 -0.00 -0.11 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 -2.05 1.14 -0.43 -4.37 -7.23 -1.01 -1.36 120.40 105.10 2rqt s VAL 1124Ca 0.30 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 2rqt s VAL 1124Cb 0.20 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.85 2rqt s VAL 1124CO 0.33 -0.42 0.30 -2.28 -0.31 0.00 0.00 175.10 172.72 2rqt s HIS 1125N -2.03 3.28 0.40 2.82 2.46 0.15 -4.83 115.29 117.54 2rqt s HIS 1125Ca 0.05 -1.15 -0.25 0.00 0.47 0.00 0.00 55.06 54.18 2rqt s HIS 1125Cb -0.05 -2.89 -0.08 0.00 -0.13 0.00 0.00 32.58 29.42 2rqt s HIS 1125CO 0.02 -0.77 1.18 0.42 -2.47 0.00 0.00 174.74 173.12 2rqt s ILE 1126N 1.54 3.10 -0.14 0.89 1.01 -1.26 -0.03 121.20 126.31 2rqt s ILE 1126Ca 0.03 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.60 2rqt s ILE 1126Cb -0.22 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2rqt s ILE 1126CO 0.05 0.09 -0.11 -0.76 0.00 0.00 0.00 174.94 174.21 2rqt s LEU 1127N -2.49 2.83 -0.40 2.97 1.43 0.11 -4.89 118.68 118.24 2rqt s LEU 1127Ca 0.57 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2rqt s LEU 1127Cb -0.31 -1.65 0.10 0.00 0.03 0.00 0.00 46.19 44.35 2rqt s LEU 1127CO 0.40 0.14 2.59 -0.24 0.23 0.00 0.00 176.35 179.47 2rqt n SER 1128N 3.67 6.44 -0.48 2.29 2.88 -1.26 -3.05 113.62 124.11 2rqt n SER 1128Ca -0.18 -3.15 0.14 0.00 -1.33 0.00 0.00 58.87 54.35 2rqt n SER 1128Cb 0.52 -1.19 0.53 0.00 -0.75 0.00 0.00 64.21 63.32 2rqt n SER 1128CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28