#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 4.09 0.34 1.45 3.52 -1.26 -4.19 118.95 122.89 2rqt s ARG 1070Ca 0.00 2.01 0.04 0.00 -0.13 0.00 0.00 55.73 57.65 2rqt s ARG 1070Cb 0.00 -3.97 -0.06 0.00 -1.56 0.00 0.00 34.95 29.35 2rqt s ARG 1070CO 0.00 -0.94 0.06 1.03 -0.81 0.00 0.00 175.30 174.64 2rqt s ARG 1071N 4.13 1.69 0.01 5.12 0.52 -1.19 -0.84 118.95 128.38 2rqt s ARG 1071Ca 0.71 -1.94 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 2rqt s ARG 1071Cb -0.30 -0.90 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 2rqt s ARG 1071CO 0.28 -0.20 -0.02 0.14 0.02 0.00 0.00 175.30 175.52 2rqt s VAL 1072N -3.26 0.15 -0.40 3.52 -7.23 0.12 0.10 120.40 113.40 2rqt s VAL 1072Ca 0.36 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 60.15 2rqt s VAL 1072Cb 0.08 -0.18 0.07 0.00 0.56 0.00 0.00 36.38 36.92 2rqt s VAL 1072CO 0.15 -0.09 0.23 -0.75 -0.31 0.00 0.00 175.10 174.33 2rqt s LYS 1073N -0.41 2.58 -0.05 4.82 2.47 0.12 -0.48 119.74 128.79 2rqt s LYS 1073Ca -0.03 -1.43 -0.34 0.00 -1.56 0.00 0.00 55.97 52.61 2rqt s LYS 1073Cb -0.03 -3.72 -0.12 0.00 -1.46 0.00 0.00 37.83 32.51 2rqt s LYS 1073CO -0.00 -0.91 1.87 0.25 0.16 0.00 0.00 175.35 176.72 2rqt n THR 1074N 4.88 0.55 0.82 3.43 -2.24 -0.07 0.32 114.28 121.98 2rqt n THR 1074Ca -0.10 -0.10 0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2rqt n THR 1074Cb 0.43 -1.90 0.05 0.00 -2.10 0.00 0.00 70.33 66.80 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 5.05 0.00 -3.96 2.28 -5.35 -0.26 -0.51 119.36 116.62 2rqt n ILE 1075Ca 0.22 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 62.17 2rqt n ILE 1075Cb 0.31 1.33 -0.12 0.00 -1.74 0.00 0.00 39.64 39.42 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 -1.84 0.21 0.19 4.28 2.02 -0.90 -4.87 117.35 116.43 2rqt s TYR 1076Ca 0.20 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 2rqt s TYR 1076Cb 0.16 -0.14 -0.08 0.00 -0.40 0.00 0.00 41.96 41.50 2rqt s TYR 1076CO 0.34 -0.10 1.19 0.34 -1.57 0.00 0.00 175.55 175.75 2rqt s ASP 1077N -0.85 7.09 -0.25 2.29 2.15 -1.26 -4.10 116.67 121.74 2rqt s ASP 1077Ca -0.09 2.23 -0.01 0.00 0.43 0.00 0.00 52.55 55.12 2rqt s ASP 1077Cb -0.06 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2rqt s ASP 1077CO -0.00 -0.37 0.02 0.00 -0.17 0.00 0.00 175.17 174.65 2rqt s GLN 1079N 1.58 3.23 0.31 0.00 1.03 -1.26 -2.20 119.66 122.34 2rqt s GLN 1079Ca 0.01 -1.04 -0.29 0.00 0.04 0.00 0.00 55.36 54.08 2rqt s GLN 1079Cb -0.18 -4.42 -0.11 0.00 0.03 0.00 0.00 33.01 28.34 2rqt s GLN 1079CO -0.12 -1.82 1.45 0.00 -2.54 0.00 0.00 175.29 172.26 2rqt s ALA 1080N 3.80 3.61 -0.25 2.60 0.00 -1.26 -4.95 121.76 125.31 2rqt s ALA 1080Ca 0.25 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 2rqt s ALA 1080Cb -0.14 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.27 2rqt s ALA 1080CO 0.05 -0.85 -0.27 -3.47 0.00 0.00 0.00 175.76 171.23 2rqt n ASP 1081N 1.49 1.99 -4.82 0.00 -0.08 -1.26 -4.94 116.55 108.94 2rqt n ASP 1081Ca 0.04 0.06 -0.35 0.00 -1.51 0.00 0.00 54.79 53.02 2rqt n ASP 1081Cb 0.40 -0.55 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 2rqt n ASP 1081CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2rqt s ASN 1082N -6.79 7.02 0.00 1.67 2.47 -1.26 -4.94 114.94 113.11 2rqt s ASN 1082Ca -0.35 1.43 0.20 0.00 0.42 0.00 0.00 52.86 54.56 2rqt s ASN 1082Cb 0.11 -2.43 1.17 0.00 -1.45 0.00 0.00 41.25 38.66 2rqt s ASN 1082CO 0.52 -0.04 1.57 0.47 -3.72 0.00 0.00 177.10 175.91 2rqt n ASP 1083N 0.44 0.00 0.00 -4.21 9.92 -1.26 -1.19 116.55 120.26 2rqt n ASP 1083Ca -0.00 -0.70 0.11 0.00 -0.53 0.00 0.00 54.79 53.67 2rqt n ASP 1083Cb 0.51 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.85 2rqt n ASP 1083CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2rqt n ASP 1084N -0.97 0.20 -4.85 -2.24 2.03 -1.26 -4.93 116.55 104.53 2rqt n ASP 1084Ca 0.15 -0.07 -0.32 0.00 0.52 0.00 0.00 54.79 55.07 2rqt n ASP 1084Cb 0.07 1.70 -0.05 0.00 -0.72 0.00 0.00 41.12 42.12 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 -3.44 3.96 -0.01 -0.67 2.02 -0.33 -1.11 118.70 119.11 2rqt s GLU 1085Ca -0.05 0.72 -0.10 0.00 0.02 0.00 0.00 54.97 55.56 2rqt s GLU 1085Cb 0.14 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 2rqt s GLU 1085CO 0.89 0.00 0.31 -1.17 0.02 0.00 0.00 175.26 175.31 2rqt s LEU 1086N -3.45 4.40 -0.25 1.80 2.96 -0.04 -4.67 118.68 119.43 2rqt s LEU 1086Ca 0.55 0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 2rqt s LEU 1086Cb -0.10 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2rqt s LEU 1086CO 0.23 0.29 0.14 -0.89 -1.32 0.00 0.00 176.35 174.80 2rqt s THR 1087N -1.19 5.06 0.06 3.68 2.01 -1.26 -4.24 115.64 119.75 2rqt s THR 1087Ca 0.25 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 2rqt s THR 1087Cb -0.14 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 69.02 2rqt s THR 1087CO 0.13 0.33 0.28 0.72 -0.69 0.00 0.00 174.62 175.38 2rqt s PHE 1088N 1.31 -0.04 0.45 4.92 -0.12 -0.94 -4.99 117.98 118.58 2rqt s PHE 1088Ca 0.06 -0.18 0.06 0.00 -0.05 0.00 0.00 56.93 56.83 2rqt s PHE 1088Cb -0.15 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 2rqt s PHE 1088CO 0.06 -0.52 0.18 0.96 -0.05 0.00 0.00 175.22 175.85 2rqt s ILE 1089N -2.91 1.98 -0.01 -4.49 -0.00 -1.26 -0.57 121.20 113.93 2rqt s ILE 1089Ca -0.02 -1.73 -0.30 0.00 -0.00 0.00 0.00 60.65 58.59 2rqt s ILE 1089Cb 0.00 -2.71 -0.09 0.00 -0.00 0.00 0.00 42.46 39.66 2rqt s ILE 1089CO -0.06 0.00 2.01 -0.62 -0.00 0.00 0.00 174.94 176.27 2rqt n GLU 1090N -1.31 2.67 0.00 0.37 4.71 -1.26 -2.37 120.64 123.44 2rqt n GLU 1090Ca -0.04 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.06 2rqt n GLU 1090Cb 0.65 -3.00 0.00 0.00 -1.01 0.00 0.00 31.44 28.08 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 1.00 3.78 0.62 0.00 0.34 -5.00 105.19 110.66 2rqt n GLY 1091Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 4.59 -0.25 1.61 0.41 -1.00 -4.81 118.70 119.15 2rqt s GLU 1092Ca 0.00 1.19 -0.10 0.00 -0.41 0.00 0.00 54.97 55.65 2rqt s GLU 1092Cb 0.00 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 29.07 2rqt s GLU 1092CO 0.00 0.55 0.16 0.08 -0.49 0.00 0.00 175.26 175.56 2rqt s VAL 1093N -1.19 5.23 -0.10 2.63 1.01 -1.26 -0.89 120.40 125.83 2rqt s VAL 1093Ca 0.37 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2rqt s VAL 1093Cb -0.23 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2rqt s VAL 1093CO 0.27 0.32 -0.19 -0.63 0.00 0.00 0.00 175.10 174.87 2rqt s ILE 1094N 1.31 2.58 -0.14 2.22 1.01 0.37 -0.13 121.20 128.43 2rqt s ILE 1094Ca 0.07 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 2rqt s ILE 1094Cb -0.14 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 2rqt s ILE 1094CO 0.06 0.55 0.62 -0.63 0.00 0.00 0.00 174.94 175.54 2rqt s ILE 1095N 0.15 5.07 -0.44 2.92 1.01 0.08 0.15 121.20 130.14 2rqt s ILE 1095Ca -0.10 1.21 -0.28 0.00 0.00 0.00 0.00 60.65 61.48 2rqt s ILE 1095Cb -0.16 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2rqt s ILE 1095CO 0.06 0.21 1.48 -0.69 0.00 0.00 0.00 174.94 175.99 2rqt s VAL 1096N 1.26 3.80 -0.80 2.92 1.01 -0.02 -1.77 120.40 126.80 2rqt s VAL 1096Ca 0.31 0.79 0.13 0.00 0.00 0.00 0.00 61.98 63.20 2rqt s VAL 1096Cb -0.16 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 2rqt s VAL 1096CO 0.13 -0.80 0.60 0.35 0.00 0.00 0.00 175.10 175.38 2rqt n THR 1097N 7.09 0.00 -3.88 3.92 -2.24 0.11 -4.77 114.28 114.51 2rqt n THR 1097Ca 0.17 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.70 2rqt n THR 1097Cb 0.48 1.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.97 -0.16 0.07 3.38 0.00 0.85 -4.94 107.32 104.55 2rqt s GLY 1098Ca 0.07 0.14 0.06 0.00 0.00 0.00 0.00 44.72 44.99 2rqt s GLY 1098CO 0.44 3.85 -0.16 -0.54 0.00 0.00 0.00 173.10 176.68 2rqt s GLU 1099N -2.15 0.96 0.00 2.90 8.01 -1.26 -0.08 118.70 127.08 2rqt s GLU 1099Ca 0.25 -0.98 0.00 0.00 0.01 0.00 0.00 54.97 54.25 2rqt s GLU 1099Cb 0.00 -1.05 0.00 0.00 -4.31 0.00 0.00 34.13 28.77 2rqt s GLU 1099CO -0.01 0.24 0.00 0.39 0.01 0.00 0.00 175.26 175.90 2rqt n GLU 1100N 1.37 0.00 -4.01 1.61 -0.58 -0.26 -4.78 120.64 113.99 2rqt n GLU 1100Ca -0.20 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.37 2rqt n GLU 1100Cb 0.54 -0.66 -0.06 0.00 -0.57 0.00 0.00 31.44 30.69 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 -2.77 -0.89 0.12 1.62 2.03 0.89 -4.97 116.55 112.58 2rqt n ASP 1101Ca 0.00 -2.96 0.13 0.00 0.52 0.00 0.00 54.79 52.47 2rqt n ASP 1101Cb 0.47 1.87 0.35 0.00 -0.72 0.00 0.00 41.12 43.10 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 -0.07 -0.67 -0.00 -2.02 -3.10 115.11 109.25 2rqt h GLN 1102Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 2rqt h GLN 1102Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.61 2rqt h GLN 1102CO 0.33 0.00 0.00 -0.85 -0.00 0.00 0.00 178.83 178.31 2rqt n GLU 1103N -2.41 2.91 -3.56 0.06 0.28 -1.26 -4.84 120.64 111.81 2rqt n GLU 1103Ca 0.05 -1.66 -0.25 0.00 -0.16 0.00 0.00 57.16 55.15 2rqt n GLU 1103Cb 0.45 -1.08 -0.15 0.00 1.43 0.00 0.00 31.44 32.09 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 -1.09 0.10 0.35 -1.84 0.52 -1.17 -1.68 118.94 114.13 2rqt s TRP 1104Ca 0.06 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.94 2rqt s TRP 1104Cb 0.04 -0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 31.66 2rqt s TRP 1104CO 0.03 -0.61 0.19 -1.58 0.02 0.00 0.00 176.95 175.00 2rqt s TRP 1105N 2.18 2.74 -0.13 -1.98 0.51 -0.76 -0.07 118.94 121.42 2rqt s TRP 1105Ca 0.05 -0.39 -0.01 0.00 -2.12 0.00 0.00 56.10 53.63 2rqt s TRP 1105Cb -0.16 -1.74 -0.02 0.00 -0.81 0.00 0.00 33.47 30.74 2rqt s TRP 1105CO -0.16 0.26 -0.11 0.42 -0.51 0.00 0.00 176.95 176.85 2rqt s ILE 1106N -2.42 3.24 0.00 2.03 1.01 0.89 -0.24 121.20 125.70 2rqt s ILE 1106Ca 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2rqt s ILE 1106Cb -0.03 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.08 2rqt s ILE 1106CO 0.24 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.31 2rqt n GLY 1107N 3.38 2.19 3.02 6.18 0.00 -0.13 0.08 105.19 119.91 2rqt n GLY 1107Ca -0.18 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 -8.04 0.37 0.07 1.61 -3.43 -0.73 -0.87 115.29 104.27 2rqt s HIS 1108Ca 0.00 -0.66 -0.31 0.00 -0.80 0.00 0.00 55.06 53.30 2rqt s HIS 1108Cb 0.00 -0.26 -0.07 0.00 -1.43 0.00 0.00 32.58 30.82 2rqt s HIS 1108CO 0.00 -0.22 1.34 0.42 -2.00 0.00 0.00 174.74 174.28 2rqt s ILE 1109N -2.05 3.60 0.05 -5.38 -1.09 -0.76 -0.74 121.20 114.83 2rqt s ILE 1109Ca -0.10 1.11 -0.30 0.00 -2.23 0.00 0.00 60.65 59.13 2rqt s ILE 1109Cb -0.06 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.02 2rqt s ILE 1109CO -0.03 0.06 1.90 -1.61 -1.23 0.00 0.00 174.94 174.03 2rqt s GLU 1110N 1.45 4.15 0.00 2.79 0.41 0.81 -0.80 118.70 127.52 2rqt s GLU 1110Ca 0.63 2.56 0.00 0.00 -0.41 0.00 0.00 54.97 57.75 2rqt s GLU 1110Cb -0.33 -4.00 0.00 0.00 -1.78 0.00 0.00 34.13 28.02 2rqt s GLU 1110CO 0.29 -0.91 0.00 0.41 -0.49 0.00 0.00 175.26 174.56 2rqt n GLY 1111N 4.42 2.26 2.27 -1.39 0.00 -1.26 -4.86 105.19 106.63 2rqt n GLY 1111Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 1.06 0.00 1.61 -0.06 0.02 -4.94 117.38 113.07 2rqt n GLN 1112Ca 0.00 -3.54 0.04 0.00 -2.00 0.00 0.00 57.00 51.50 2rqt n GLN 1112Cb 0.00 -1.49 0.18 0.00 -4.06 0.00 0.00 30.24 24.88 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 1.43 0.02 0.10 3.69 -0.02 -1.19 -1.45 135.00 137.58 2rqt n PRO 1113Ca 0.24 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 2rqt n PRO 1113Cb 0.50 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.51 2rqt n PRO 1113CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2rqt h GLU 1114N 0.00 0.00 -4.16 -0.52 4.81 -1.92 -3.40 114.58 109.39 2rqt h GLU 1114Ca 0.00 -0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 2rqt h GLU 1114Cb 0.13 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.25 2rqt h GLU 1114CO 0.00 0.80 -0.28 0.50 -0.73 0.00 0.00 179.01 179.30 2rqt s ARG 1115N -3.20 2.80 0.50 1.92 3.52 -0.53 -5.03 118.95 118.94 2rqt s ARG 1115Ca -0.00 -1.75 0.01 0.00 -0.13 0.00 0.00 55.73 53.86 2rqt s ARG 1115Cb 0.11 -4.16 -0.02 0.00 -1.56 0.00 0.00 34.95 29.33 2rqt s ARG 1115CO 0.79 -1.28 0.00 0.15 -0.81 0.00 0.00 175.30 174.16 2rqt s LYS 1116N 1.48 2.18 0.00 5.12 1.02 -1.26 -1.82 119.74 126.45 2rqt s LYS 1116Ca 0.04 -2.39 0.00 0.00 0.02 0.00 0.00 55.97 53.65 2rqt s LYS 1116Cb -0.28 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2rqt s LYS 1116CO 0.01 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 2rqt n GLY 1117N -1.24 -0.27 3.80 -3.33 0.00 -0.05 -4.51 105.19 99.59 2rqt n GLY 1117Ca -0.18 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.62 4.56 -0.01 1.61 -7.23 -0.27 -0.96 120.40 115.48 2rqt s VAL 1118Ca 0.00 1.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.56 2rqt s VAL 1118Cb 0.00 -3.96 0.01 0.00 0.56 0.00 0.00 36.38 32.99 2rqt s VAL 1118CO 0.00 0.41 -0.01 0.72 -0.31 0.00 0.00 175.10 175.91 2rqt s PHE 1119N -1.29 0.19 0.03 2.82 -0.71 0.66 -0.87 117.98 118.82 2rqt s PHE 1119Ca 0.37 -0.01 -0.30 0.00 -1.04 0.00 0.00 56.93 55.94 2rqt s PHE 1119Cb -0.19 -0.19 -0.07 0.00 -1.21 0.00 0.00 43.02 41.36 2rqt s PHE 1119CO 0.22 -0.04 1.60 -1.25 -1.34 0.00 0.00 175.22 174.41 2rqt s PRO 1120N 0.30 4.21 0.41 1.99 0.04 -1.26 -1.83 135.00 138.87 2rqt s PRO 1120Ca -0.03 2.22 0.18 0.00 0.04 0.00 0.00 61.00 63.42 2rqt s PRO 1120Cb -0.05 -3.68 0.90 0.00 0.04 0.00 0.00 34.50 31.71 2rqt s PRO 1120CO -0.01 -0.72 1.86 0.28 0.04 0.00 0.00 177.00 178.45 2rqt h VAL 1121N 5.00 0.97 0.00 -0.36 2.07 -1.65 -1.85 116.25 120.43 2rqt h VAL 1121Ca -0.41 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2rqt h VAL 1121Cb 1.19 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2rqt h VAL 1121CO 0.93 0.30 0.00 -0.24 0.02 0.00 0.00 177.57 178.58 2rqt n SER 1122N -3.81 0.00 -0.74 0.57 2.88 -1.26 -2.33 113.62 108.94 2rqt n SER 1122Ca -0.01 0.17 0.11 0.00 -1.33 0.00 0.00 58.87 57.80 2rqt n SER 1122Cb 0.39 -0.38 0.05 0.00 -0.75 0.00 0.00 64.21 63.53 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 -4.32 0.66 3.01 -0.70 -4.96 117.46 109.78 2rqt n PHE 1123Ca 0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.32 2rqt n PHE 1123Cb 0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.59 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 -2.13 1.85 -0.42 -4.37 -7.23 -0.98 -1.10 120.40 106.01 2rqt s VAL 1124Ca 0.23 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 2rqt s VAL 1124Cb 0.18 -1.75 0.10 0.00 0.56 0.00 0.00 36.38 35.47 2rqt s VAL 1124CO 0.40 -0.15 0.25 -2.28 -0.31 0.00 0.00 175.10 173.01 2rqt s HIS 1125N -1.55 3.46 0.43 2.82 2.46 0.15 -4.80 115.29 118.27 2rqt s HIS 1125Ca 0.12 -2.00 -0.26 0.00 0.47 0.00 0.00 55.06 53.39 2rqt s HIS 1125Cb -0.08 -3.18 -0.08 0.00 -0.13 0.00 0.00 32.58 29.10 2rqt s HIS 1125CO 0.06 -0.94 1.35 0.42 -2.47 0.00 0.00 174.74 173.16 2rqt s ILE 1126N 1.28 2.38 -0.10 0.89 1.01 -1.26 0.11 121.20 125.51 2rqt s ILE 1126Ca 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 2rqt s ILE 1126Cb -0.24 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2rqt s ILE 1126CO -0.01 0.05 -0.05 -0.76 0.00 0.00 0.00 174.94 174.17 2rqt s LEU 1127N -2.60 3.27 -0.73 2.97 1.43 0.11 -4.83 118.68 118.31 2rqt s LEU 1127Ca 0.59 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2rqt s LEU 1127Cb -0.40 -1.74 0.37 0.00 0.03 0.00 0.00 46.19 44.45 2rqt s LEU 1127CO 0.52 0.31 2.07 -1.54 0.23 0.00 0.00 176.35 177.93 2rqt n SER 1128N 2.62 7.52 0.00 2.29 3.41 -1.26 -3.18 113.62 125.02 2rqt n SER 1128Ca -0.18 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.67 2rqt n SER 1128Cb 0.53 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2rqt n SER 1128CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21