#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 3.99 0.20 7.34 3.52 -1.26 -4.93 118.95 127.81 2rqt s ARG 1070Ca 0.00 0.61 0.11 0.00 -0.13 0.00 0.00 55.73 56.33 2rqt s ARG 1070Cb 0.00 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 2rqt s ARG 1070CO 0.00 0.21 -0.23 1.03 -0.81 0.00 0.00 175.30 175.49 2rqt s ARG 1071N -2.86 1.55 -0.01 5.12 3.00 -1.26 0.10 118.95 124.58 2rqt s ARG 1071Ca 0.52 -1.54 0.02 0.00 0.00 0.00 0.00 55.73 54.74 2rqt s ARG 1071Cb -0.11 -1.85 -0.00 0.00 0.00 0.00 0.00 34.95 32.99 2rqt s ARG 1071CO 0.18 0.40 -0.08 0.14 0.00 0.00 0.00 175.30 175.94 2rqt s VAL 1072N -1.73 0.67 -0.37 3.52 -7.23 0.94 -0.81 120.40 115.40 2rqt s VAL 1072Ca 0.22 -0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.00 2rqt s VAL 1072Cb -0.08 -0.58 0.07 0.00 0.56 0.00 0.00 36.38 36.35 2rqt s VAL 1072CO 0.10 0.20 0.14 -0.75 -0.31 0.00 0.00 175.10 174.48 2rqt s LYS 1073N -0.03 2.41 0.09 4.82 2.36 0.96 -0.25 119.74 130.09 2rqt s LYS 1073Ca 0.01 -1.43 -0.33 0.00 -2.55 0.00 0.00 55.97 51.66 2rqt s LYS 1073Cb -0.05 -3.50 -0.12 0.00 -1.05 0.00 0.00 37.83 33.11 2rqt s LYS 1073CO -0.00 -0.83 1.73 0.25 1.55 0.00 0.00 175.35 178.05 2rqt n THR 1074N 4.73 0.24 0.35 3.43 -2.24 -0.42 -0.08 114.28 120.29 2rqt n THR 1074Ca -0.09 -0.04 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 2rqt n THR 1074Cb 0.43 -1.80 0.05 0.00 -2.10 0.00 0.00 70.33 66.91 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 4.22 0.11 -4.03 2.28 -5.35 -0.63 -1.27 119.36 114.69 2rqt n ILE 1075Ca 0.19 -0.55 -0.14 0.00 -0.27 0.00 0.00 62.75 61.97 2rqt n ILE 1075Cb 0.32 1.13 -0.14 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 -0.83 0.26 0.12 4.28 2.02 -0.86 -4.90 117.35 117.44 2rqt s TYR 1076Ca 0.12 -0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.47 2rqt s TYR 1076Cb 0.08 -0.17 -0.06 0.00 -0.40 0.00 0.00 41.96 41.41 2rqt s TYR 1076CO 0.12 -0.01 1.02 0.16 -1.57 0.00 0.00 175.55 175.28 2rqt s ASP 1077N -0.09 7.39 -0.45 2.29 -4.77 -1.26 -4.23 116.67 115.56 2rqt s ASP 1077Ca 0.01 1.89 0.04 0.00 -3.30 0.00 0.00 52.55 51.19 2rqt s ASP 1077Cb -0.01 -2.59 0.12 0.00 -1.09 0.00 0.00 42.92 39.34 2rqt s ASP 1077CO -0.00 -0.15 0.17 0.00 0.70 0.00 0.00 175.17 175.89 2rqt s GLN 1079N 0.20 3.67 0.16 0.00 -0.21 -1.26 -1.74 119.66 120.47 2rqt s GLN 1079Ca 0.15 -1.57 -0.34 0.00 0.02 0.00 0.00 55.36 53.62 2rqt s GLN 1079Cb -0.23 -5.18 -0.14 0.00 1.00 0.00 0.00 33.01 28.47 2rqt s GLN 1079CO -0.03 -2.01 1.60 0.00 -2.12 0.00 0.00 175.29 172.73 2rqt n ALA 1080N 7.66 1.49 0.01 6.09 0.00 -1.26 -4.89 120.51 129.60 2rqt n ALA 1080Ca 0.31 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 54.13 2rqt n ALA 1080Cb 0.49 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.45 2rqt n ALA 1080CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2rqt h ASP 1081N 6.13 0.00 -3.03 0.00 3.58 -1.93 -3.46 116.42 117.70 2rqt h ASP 1081Ca -0.45 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.34 2rqt h ASP 1081Cb 1.25 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.20 2rqt h ASP 1081CO 0.90 0.88 -0.56 0.20 -2.88 0.00 0.00 179.24 177.78 2rqt s ASN 1082N -6.11 5.77 0.44 2.28 0.01 -1.26 -4.99 114.94 111.07 2rqt s ASN 1082Ca -0.03 0.24 0.30 0.00 -0.71 0.00 0.00 52.86 52.66 2rqt s ASN 1082Cb 0.08 -1.71 1.28 0.00 0.41 0.00 0.00 41.25 41.31 2rqt s ASN 1082CO 0.82 0.33 1.89 -0.78 -1.51 0.00 0.00 177.10 177.86 2rqt h ASP 1083N 4.59 0.00 0.74 -1.22 3.58 -2.02 -1.79 116.42 120.31 2rqt h ASP 1083Ca -0.51 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.80 2rqt h ASP 1083Cb 1.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 2rqt h ASP 1083CO 0.59 0.00 -0.65 -0.78 -2.88 0.00 0.00 179.24 175.52 2rqt h ASP 1084N 0.00 0.00 -3.99 2.28 1.82 -1.95 -3.44 116.42 111.14 2rqt h ASP 1084Ca 0.00 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 56.18 2rqt h ASP 1084Cb 0.40 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2rqt h ASP 1084CO 0.00 0.65 0.35 -1.61 -1.61 0.00 0.00 179.24 177.02 2rqt s GLU 1085N -3.43 4.31 0.24 0.28 2.02 -0.67 -2.68 118.70 118.77 2rqt s GLU 1085Ca -0.01 1.26 -0.24 0.00 0.02 0.00 0.00 54.97 56.00 2rqt s GLU 1085Cb 0.12 -2.43 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 2rqt s GLU 1085CO 0.76 0.03 0.83 -1.17 0.02 0.00 0.00 175.26 175.74 2rqt s LEU 1086N -2.75 4.44 -0.21 1.80 2.96 -0.10 -4.78 118.68 120.03 2rqt s LEU 1086Ca 0.58 1.67 -0.06 0.00 -0.22 0.00 0.00 54.13 56.10 2rqt s LEU 1086Cb -0.14 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 2rqt s LEU 1086CO 0.19 0.06 0.03 -0.89 -1.32 0.00 0.00 176.35 174.42 2rqt s THR 1087N -1.42 4.20 0.16 3.68 2.01 -1.26 -4.28 115.64 118.73 2rqt s THR 1087Ca 0.43 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 2rqt s THR 1087Cb -0.20 -2.92 0.04 0.00 0.01 0.00 0.00 72.50 69.43 2rqt s THR 1087CO 0.24 0.41 0.47 0.72 -0.69 0.00 0.00 174.62 175.77 2rqt s PHE 1088N 1.08 -0.20 0.42 4.92 -0.12 -0.71 -5.00 117.98 118.37 2rqt s PHE 1088Ca 0.03 -0.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 2rqt s PHE 1088Cb -0.14 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.52 2rqt s PHE 1088CO 0.02 -0.80 0.02 0.96 -0.05 0.00 0.00 175.22 175.37 2rqt s ILE 1089N -3.83 1.72 -0.06 -4.49 -0.00 -1.26 0.06 121.20 113.34 2rqt s ILE 1089Ca 0.05 -2.00 -0.32 0.00 -0.00 0.00 0.00 60.65 58.38 2rqt s ILE 1089Cb 0.00 -2.79 -0.10 0.00 -0.00 0.00 0.00 42.46 39.57 2rqt s ILE 1089CO -0.09 0.00 1.95 -0.62 -0.00 0.00 0.00 174.94 176.19 2rqt n GLU 1090N -1.00 2.39 0.00 0.37 1.02 -1.26 -2.34 120.64 119.82 2rqt n GLU 1090Ca -0.08 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2rqt n GLU 1090Cb 0.67 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 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 4.64 1.16 3.71 0.62 0.00 -0.40 -5.00 105.19 109.92 2rqt n GLY 1091Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.29 1.61 0.41 -0.99 -4.82 118.70 119.08 2rqt s GLU 1092Ca 0.00 1.27 -0.18 0.00 -0.41 0.00 0.00 54.97 55.65 2rqt s GLU 1092Cb 0.00 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.87 2rqt s GLU 1092CO 0.00 -0.05 0.52 0.08 -0.49 0.00 0.00 175.26 175.33 2rqt s VAL 1093N 1.05 5.04 -0.14 2.63 1.01 -1.26 -1.30 120.40 127.43 2rqt s VAL 1093Ca 0.48 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 63.14 2rqt s VAL 1093Cb -0.20 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2rqt s VAL 1093CO 0.25 -0.02 -0.03 -0.63 0.00 0.00 0.00 175.10 174.66 2rqt s ILE 1094N 2.36 3.99 -0.26 2.22 1.01 0.65 -0.87 121.20 130.30 2rqt s ILE 1094Ca 0.21 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2rqt s ILE 1094Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2rqt s ILE 1094CO 0.11 0.52 0.40 -0.63 0.00 0.00 0.00 174.94 175.33 2rqt s ILE 1095N 0.08 5.16 -0.34 2.92 1.01 -0.31 -0.04 121.20 129.67 2rqt s ILE 1095Ca 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 60.65 61.00 2rqt s ILE 1095Cb -0.13 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2rqt s ILE 1095CO 0.03 0.15 1.72 -0.69 0.00 0.00 0.00 174.94 176.15 2rqt s VAL 1096N 2.05 3.56 -0.30 2.92 1.01 0.11 -1.73 120.40 128.03 2rqt s VAL 1096Ca 0.16 0.57 0.14 0.00 0.00 0.00 0.00 61.98 62.86 2rqt s VAL 1096Cb -0.16 -3.75 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 2rqt s VAL 1096CO 0.10 -0.48 0.44 0.35 0.00 0.00 0.00 175.10 175.51 2rqt n THR 1097N 7.35 0.00 -3.92 3.92 -2.24 0.10 -4.15 114.28 115.35 2rqt n THR 1097Ca 0.22 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2rqt n THR 1097Cb 0.47 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 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 -3.12 0.47 -0.05 3.38 0.00 0.80 -4.96 107.32 103.85 2rqt s GLY 1098Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 2rqt s GLY 1098CO 0.60 -0.45 0.12 -0.54 0.00 0.00 0.00 173.10 172.83 2rqt s GLU 1099N -3.30 0.09 -0.17 2.90 2.02 -1.26 -0.18 118.70 118.80 2rqt s GLU 1099Ca 0.19 0.28 -0.04 0.00 0.02 0.00 0.00 54.97 55.42 2rqt s GLU 1099Cb -0.03 -0.11 -0.09 0.00 0.10 0.00 0.00 34.13 33.99 2rqt s GLU 1099CO 0.11 -0.12 -0.19 0.39 0.02 0.00 0.00 175.26 175.47 2rqt n GLU 1100N 3.83 0.39 -1.88 1.61 -0.58 0.04 -4.88 120.64 119.17 2rqt n GLU 1100Ca -0.22 0.13 -0.02 0.00 -0.42 0.00 0.00 57.16 56.63 2rqt n GLU 1100Cb 0.54 -1.22 -0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 -3.40 -0.15 0.17 1.62 2.03 0.35 -4.97 116.55 112.20 2rqt n ASP 1101Ca -0.32 -1.22 0.12 0.00 0.52 0.00 0.00 54.79 53.89 2rqt n ASP 1101Cb 0.77 0.29 0.23 0.00 -0.72 0.00 0.00 41.12 41.69 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 0.00 -0.13 -0.67 3.07 -2.01 -3.20 115.11 112.17 2rqt h GLN 1102Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2rqt h GLN 1102Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2rqt h GLN 1102CO 0.04 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 178.11 2rqt n GLU 1103N -2.79 2.88 -3.55 0.06 0.28 -1.26 -4.75 120.64 111.51 2rqt n GLU 1103Ca 0.04 -1.69 -0.26 0.00 -0.16 0.00 0.00 57.16 55.10 2rqt n GLU 1103Cb 0.50 -1.10 -0.15 0.00 1.43 0.00 0.00 31.44 32.12 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 -0.99 0.16 0.33 -1.84 0.52 -1.21 -0.53 118.94 115.39 2rqt s TRP 1104Ca 0.09 -0.52 0.09 0.00 0.02 0.00 0.00 56.10 55.77 2rqt s TRP 1104Cb 0.05 -0.74 -0.04 0.00 -1.15 0.00 0.00 33.47 31.58 2rqt s TRP 1104CO 0.06 -0.70 0.10 -1.58 0.02 0.00 0.00 176.95 174.85 2rqt s TRP 1105N 2.16 2.68 -0.07 -1.98 0.51 -0.74 -0.49 118.94 121.00 2rqt s TRP 1105Ca 0.06 -0.37 0.03 0.00 -2.12 0.00 0.00 56.10 53.71 2rqt s TRP 1105Cb -0.16 -1.55 -0.02 0.00 -0.81 0.00 0.00 33.47 30.93 2rqt s TRP 1105CO -0.24 0.40 -0.16 0.42 -0.51 0.00 0.00 176.95 176.86 2rqt s ILE 1106N -2.43 2.88 0.00 2.03 1.01 0.75 -0.43 121.20 125.02 2rqt s ILE 1106Ca 0.36 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2rqt s ILE 1106Cb -0.03 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.31 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 2.72 1.82 3.03 6.18 0.00 -0.69 0.02 105.19 118.26 2rqt n GLY 1107Ca -0.17 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.76 0.43 -0.00 1.61 -3.43 -0.70 -1.54 115.29 106.89 2rqt s HIS 1108Ca 0.00 -0.62 -0.30 0.00 -0.80 0.00 0.00 55.06 53.34 2rqt s HIS 1108Cb 0.00 -0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 30.82 2rqt s HIS 1108CO 0.00 -0.19 1.18 0.42 -2.00 0.00 0.00 174.74 174.15 2rqt s ILE 1109N -1.91 4.23 0.17 -5.38 -1.09 -0.56 -1.16 121.20 115.50 2rqt s ILE 1109Ca -0.10 1.58 -0.32 0.00 -2.23 0.00 0.00 60.65 59.59 2rqt s ILE 1109Cb -0.07 -4.01 -0.11 0.00 -1.58 0.00 0.00 42.46 36.69 2rqt s ILE 1109CO -0.02 0.06 1.68 -1.61 -1.23 0.00 0.00 174.94 173.82 2rqt s GLU 1110N 1.64 4.16 0.00 2.79 0.41 -0.05 -1.75 118.70 125.90 2rqt s GLU 1110Ca 0.57 2.49 0.00 0.00 -0.41 0.00 0.00 54.97 57.62 2rqt s GLU 1110Cb -0.26 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 2rqt s GLU 1110CO 0.25 -0.71 0.00 0.41 -0.49 0.00 0.00 175.26 174.72 2rqt n GLY 1111N 3.94 3.28 2.33 -1.39 0.00 -1.26 -4.88 105.19 107.21 2rqt n GLY 1111Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.57 0.45 0.00 1.61 7.27 -0.72 -4.98 117.38 119.43 2rqt n GLN 1112Ca 0.00 -3.09 0.00 0.00 0.07 0.00 0.00 57.00 53.98 2rqt n GLN 1112Cb 0.00 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.19 2rqt n GLN 1112CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2rqt n PRO 1113N 2.18 0.67 -0.00 3.69 -0.04 -1.16 -1.65 135.00 138.68 2rqt n PRO 1113Ca 0.25 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2rqt n PRO 1113Cb 0.51 -1.06 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 2rqt n PRO 1113CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2rqt n GLU 1114N -0.39 0.64 -2.75 0.54 2.13 -1.26 -4.64 120.64 114.92 2rqt n GLU 1114Ca 0.00 0.18 -0.43 0.00 0.66 0.00 0.00 57.16 57.57 2rqt n GLU 1114Cb 0.03 -1.74 -0.02 0.00 0.27 0.00 0.00 31.44 29.97 2rqt n GLU 1114CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2rqt s ARG 1115N -2.84 3.69 0.48 5.31 3.52 -0.66 -4.95 118.95 123.50 2rqt s ARG 1115Ca -0.05 -1.62 0.02 0.00 -0.13 0.00 0.00 55.73 53.96 2rqt s ARG 1115Cb 0.08 -5.17 -0.02 0.00 -1.56 0.00 0.00 34.95 28.28 2rqt s ARG 1115CO 0.82 -2.00 0.03 0.15 -0.81 0.00 0.00 175.30 173.50 2rqt s LYS 1116N 3.64 2.11 0.00 5.12 1.02 -1.26 -1.49 119.74 128.87 2rqt s LYS 1116Ca 0.41 -2.32 0.00 0.00 0.02 0.00 0.00 55.97 54.08 2rqt s LYS 1116Cb -0.02 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2rqt s LYS 1116CO -0.07 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2rqt n GLY 1117N -1.15 0.54 3.81 -3.33 0.00 -0.59 -4.53 105.19 99.93 2rqt n GLY 1117Ca -0.15 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.89 4.84 -0.01 1.61 -7.23 -1.09 -1.71 120.40 113.91 2rqt s VAL 1118Ca 0.00 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.31 2rqt s VAL 1118Cb 0.00 -3.86 0.01 0.00 0.56 0.00 0.00 36.38 33.09 2rqt s VAL 1118CO 0.00 0.53 -0.00 0.72 -0.31 0.00 0.00 175.10 176.04 2rqt s PHE 1119N -0.91 0.16 -0.00 2.82 -0.71 0.43 -0.93 117.98 118.84 2rqt s PHE 1119Ca 0.28 0.02 -0.30 0.00 -1.04 0.00 0.00 56.93 55.89 2rqt s PHE 1119Cb -0.19 -0.21 -0.07 0.00 -1.21 0.00 0.00 43.02 41.34 2rqt s PHE 1119CO 0.17 -0.06 1.66 -1.25 -1.34 0.00 0.00 175.22 174.40 2rqt s PRO 1120N 0.52 4.19 0.55 1.99 0.04 -1.26 -1.80 135.00 139.24 2rqt s PRO 1120Ca -0.05 2.25 0.33 0.00 0.04 0.00 0.00 61.00 63.57 2rqt s PRO 1120Cb -0.07 -3.84 1.48 0.00 0.04 0.00 0.00 34.50 32.12 2rqt s PRO 1120CO -0.01 -0.80 2.04 0.28 0.04 0.00 0.00 177.00 178.55 2rqt h VAL 1121N 5.27 0.21 0.00 -0.36 2.07 -1.10 -1.82 116.25 120.52 2rqt h VAL 1121Ca -0.41 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2rqt h VAL 1121Cb 1.19 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2rqt h VAL 1121CO 0.94 0.06 0.00 -1.20 0.02 0.00 0.00 177.57 177.39 2rqt n SER 1122N -3.25 0.00 -0.44 0.57 7.64 -1.26 -2.30 113.62 114.57 2rqt n SER 1122Ca -0.01 -0.33 0.06 0.00 1.01 0.00 0.00 58.87 59.60 2rqt n SER 1122Cb 0.27 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 2rqt n SER 1122CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rqt n PHE 1123N -1.13 0.00 -4.52 1.43 3.01 -0.68 -4.99 117.46 110.58 2rqt n PHE 1123Ca 0.12 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.32 2rqt n PHE 1123Cb 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.99 1.92 -0.55 -4.37 -7.23 -0.97 -1.61 120.40 106.60 2rqt s VAL 1124Ca 0.13 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 2rqt s VAL 1124Cb 0.10 -1.69 0.11 0.00 0.56 0.00 0.00 36.38 35.46 2rqt s VAL 1124CO 0.15 0.13 0.56 -2.28 -0.31 0.00 0.00 175.10 173.35 2rqt s HIS 1125N -0.97 3.17 0.38 2.82 2.46 0.88 -4.82 115.29 119.20 2rqt s HIS 1125Ca 0.10 -1.13 -0.25 0.00 0.47 0.00 0.00 55.06 54.25 2rqt s HIS 1125Cb -0.10 -3.79 -0.09 0.00 -0.13 0.00 0.00 32.58 28.47 2rqt s HIS 1125CO 0.04 -1.08 1.11 0.42 -2.47 0.00 0.00 174.74 172.76 2rqt s ILE 1126N 1.97 3.42 -0.23 0.89 1.01 -1.26 -0.03 121.20 126.96 2rqt s ILE 1126Ca 0.06 1.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 2rqt s ILE 1126Cb -0.27 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2rqt s ILE 1126CO 0.05 0.10 0.06 -0.76 0.00 0.00 0.00 174.94 174.39 2rqt s LEU 1127N -2.38 3.50 -0.03 2.97 1.43 0.01 -4.87 118.68 119.31 2rqt s LEU 1127Ca 0.55 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2rqt s LEU 1127Cb -0.28 -1.92 0.24 0.00 0.03 0.00 0.00 46.19 44.26 2rqt s LEU 1127CO 0.35 0.02 1.05 -1.54 0.23 0.00 0.00 176.35 176.46 2rqt n SER 1128N 4.57 1.85 -0.82 2.29 3.41 -1.26 -4.07 113.62 119.59 2rqt n SER 1128Ca -0.16 -2.14 0.10 0.00 -0.26 0.00 0.00 58.87 56.41 2rqt n SER 1128Cb 0.52 -0.34 0.09 0.00 -0.26 0.00 0.00 64.21 64.21 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21