#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 2.04 0.39 5.55 3.52 -1.26 -4.19 118.95 124.99 2rqt s ARG 1070Ca 0.00 -0.94 0.08 0.00 -0.13 0.00 0.00 55.73 54.74 2rqt s ARG 1070Cb 0.00 -2.52 -0.07 0.00 -1.56 0.00 0.00 34.95 30.80 2rqt s ARG 1070CO 0.00 -0.46 -0.03 1.03 -0.81 0.00 0.00 175.30 175.03 2rqt s ARG 1071N 1.35 1.91 0.10 5.12 0.52 -1.08 -1.75 118.95 125.10 2rqt s ARG 1071Ca -0.03 -2.05 -0.00 0.00 -0.52 0.00 0.00 55.73 53.13 2rqt s ARG 1071Cb -0.17 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 2rqt s ARG 1071CO -0.08 0.02 0.00 0.14 0.02 0.00 0.00 175.30 175.40 2rqt s VAL 1072N -2.68 0.27 -0.11 3.52 -7.23 0.14 -0.02 120.40 114.29 2rqt s VAL 1072Ca 0.34 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2rqt s VAL 1072Cb 0.07 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.27 2rqt s VAL 1072CO 0.17 -0.74 0.06 -0.75 -0.31 0.00 0.00 175.10 173.53 2rqt s LYS 1073N -3.96 0.16 0.11 4.82 2.20 0.14 -0.18 119.74 123.04 2rqt s LYS 1073Ca 0.15 0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.54 2rqt s LYS 1073Cb 0.07 -1.22 -0.11 0.00 -1.51 0.00 0.00 37.83 35.06 2rqt s LYS 1073CO -0.04 -0.48 1.85 0.25 -0.36 0.00 0.00 175.35 176.57 2rqt n THR 1074N 5.24 0.40 0.74 3.43 -2.24 0.09 0.15 114.28 122.09 2rqt n THR 1074Ca -0.06 -0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.74 2rqt n THR 1074Cb 0.49 -2.12 0.06 0.00 -2.10 0.00 0.00 70.33 66.66 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 4.76 0.00 -4.08 2.28 -5.35 0.58 -0.08 119.36 117.47 2rqt n ILE 1075Ca 0.18 -0.46 -0.07 0.00 -0.27 0.00 0.00 62.75 62.13 2rqt n ILE 1075Cb 0.37 1.33 -0.10 0.00 -1.74 0.00 0.00 39.64 39.50 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 -1.60 0.51 0.06 4.28 2.02 -0.99 -4.83 117.35 116.80 2rqt s TYR 1076Ca 0.19 -0.99 -0.18 0.00 -0.37 0.00 0.00 57.07 55.72 2rqt s TYR 1076Cb 0.14 -0.37 -0.06 0.00 -0.40 0.00 0.00 41.96 41.27 2rqt s TYR 1076CO 0.27 -0.35 0.53 0.16 -1.57 0.00 0.00 175.55 174.59 2rqt s ASP 1077N -2.74 6.99 -0.17 2.29 -4.77 -1.26 -3.61 116.67 113.39 2rqt s ASP 1077Ca 0.04 1.18 0.00 0.00 -3.30 0.00 0.00 52.55 50.47 2rqt s ASP 1077Cb 0.06 -2.33 0.03 0.00 -1.09 0.00 0.00 42.92 39.59 2rqt s ASP 1077CO -0.09 0.28 -0.11 0.00 0.70 0.00 0.00 175.17 175.95 2rqt s GLN 1079N 1.47 3.34 -0.10 0.00 -0.21 -1.26 -0.91 119.66 121.99 2rqt s GLN 1079Ca 0.02 -2.16 -0.29 0.00 0.02 0.00 0.00 55.36 52.94 2rqt s GLN 1079Cb -0.15 -4.37 -0.06 0.00 1.00 0.00 0.00 33.01 29.44 2rqt s GLN 1079CO -0.09 -1.30 1.83 0.00 -2.12 0.00 0.00 175.29 173.61 2rqt s ALA 1080N 0.73 3.35 -2.63 6.09 0.00 -1.25 -4.84 121.76 123.22 2rqt s ALA 1080Ca 0.12 0.89 0.25 0.00 0.00 0.00 0.00 51.96 53.22 2rqt s ALA 1080Cb -0.18 -3.86 0.62 0.00 0.00 0.00 0.00 23.12 19.69 2rqt s ALA 1080CO -0.04 -1.85 1.50 -3.47 0.00 0.00 0.00 175.76 171.90 2rqt n ASP 1081N 8.41 2.32 -4.03 0.00 2.03 -1.26 -4.81 116.55 119.21 2rqt n ASP 1081Ca 0.21 -1.78 -0.22 0.00 0.52 0.00 0.00 54.79 53.52 2rqt n ASP 1081Cb 0.43 -0.05 -0.16 0.00 -0.72 0.00 0.00 41.12 40.62 2rqt n ASP 1081CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2rqt s ASN 1082N -1.85 1.53 0.19 1.67 2.47 -1.26 -5.03 114.94 112.66 2rqt s ASN 1082Ca 0.34 -0.24 0.22 0.00 0.42 0.00 0.00 52.86 53.59 2rqt s ASN 1082Cb 0.20 -0.48 0.90 0.00 -1.45 0.00 0.00 41.25 40.42 2rqt s ASN 1082CO 0.31 0.08 1.67 -0.67 -3.72 0.00 0.00 177.10 174.76 2rqt n ASP 1083N 3.38 0.51 0.15 -4.21 2.03 -1.26 -1.04 116.55 116.12 2rqt n ASP 1083Ca -0.19 0.62 0.12 0.00 0.52 0.00 0.00 54.79 55.86 2rqt n ASP 1083Cb 0.53 -0.73 0.24 0.00 -0.72 0.00 0.00 41.12 40.45 2rqt n ASP 1083CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2rqt h ASP 1084N 0.00 0.00 -2.07 1.67 3.58 -1.96 -3.45 116.42 114.19 2rqt h ASP 1084Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2rqt h ASP 1084Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2rqt h ASP 1084CO 0.00 0.01 0.00 -0.62 -2.88 0.00 0.00 179.24 175.75 2rqt n GLU 1085N -2.67 0.11 -4.50 0.28 -0.58 -0.20 -1.69 120.64 111.39 2rqt n GLU 1085Ca 0.04 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.58 2rqt n GLU 1085Cb 0.49 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.21 2rqt n GLU 1085CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2rqt s LEU 1086N 0.00 2.05 -0.24 -4.62 2.96 -0.99 -4.47 118.68 113.37 2rqt s LEU 1086Ca 0.00 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 2rqt s LEU 1086Cb 0.00 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 2rqt s LEU 1086CO 0.00 0.12 0.10 -0.89 -1.32 0.00 0.00 176.35 174.37 2rqt s THR 1087N -0.39 4.77 0.20 3.68 2.01 -1.26 -3.93 115.64 120.73 2rqt s THR 1087Ca 0.04 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 2rqt s THR 1087Cb -0.05 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.26 2rqt s THR 1087CO -0.00 0.36 0.47 0.72 -0.69 0.00 0.00 174.62 175.48 2rqt s PHE 1088N 1.22 0.04 0.35 4.92 -0.12 -0.09 -4.96 117.98 119.35 2rqt s PHE 1088Ca 0.06 -0.40 0.07 0.00 -0.05 0.00 0.00 56.93 56.60 2rqt s PHE 1088Cb -0.14 0.28 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 2rqt s PHE 1088CO 0.04 -0.89 -0.02 0.96 -0.05 0.00 0.00 175.22 175.26 2rqt s ILE 1089N -3.91 1.80 -0.14 -4.49 -0.00 -1.26 0.15 121.20 113.34 2rqt s ILE 1089Ca 0.12 -2.07 -0.34 0.00 -0.00 0.00 0.00 60.65 58.36 2rqt s ILE 1089Cb -0.00 -2.76 -0.11 0.00 -0.00 0.00 0.00 42.46 39.59 2rqt s ILE 1089CO -0.01 -0.11 1.95 -0.62 -0.00 0.00 0.00 174.94 176.15 2rqt n GLU 1090N -0.79 1.99 0.00 0.37 4.71 -1.24 -2.35 120.64 123.33 2rqt n GLU 1090Ca -0.04 0.70 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 2rqt n GLU 1090Cb 0.65 -2.66 0.00 0.00 -1.01 0.00 0.00 31.44 28.43 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 4.79 1.11 3.72 0.62 0.00 0.88 -4.98 105.19 111.34 2rqt n GLY 1091Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 4.49 0.02 1.61 0.41 -0.99 -4.82 118.70 119.42 2rqt s GLU 1092Ca 0.00 1.09 -0.22 0.00 -0.41 0.00 0.00 54.97 55.43 2rqt s GLU 1092Cb 0.00 -3.43 -0.06 0.00 -1.78 0.00 0.00 34.13 28.86 2rqt s GLU 1092CO 0.00 0.09 0.65 0.08 -0.49 0.00 0.00 175.26 175.58 2rqt s VAL 1093N 0.64 4.82 -0.02 2.63 1.01 -1.26 -0.73 120.40 127.49 2rqt s VAL 1093Ca 0.42 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.81 2rqt s VAL 1093Cb -0.19 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2rqt s VAL 1093CO 0.22 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.98 2rqt s ILE 1094N -0.27 1.07 -0.26 2.22 1.01 0.75 -0.01 121.20 125.72 2rqt s ILE 1094Ca 0.33 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2rqt s ILE 1094Cb -0.19 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 2rqt s ILE 1094CO 0.19 0.31 0.19 -0.63 0.00 0.00 0.00 174.94 175.00 2rqt s ILE 1095N -0.20 5.33 -0.29 2.92 1.01 0.26 0.23 121.20 130.45 2rqt s ILE 1095Ca 0.03 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2rqt s ILE 1095Cb -0.06 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2rqt s ILE 1095CO -0.00 0.30 1.55 -0.69 0.00 0.00 0.00 174.94 176.09 2rqt s VAL 1096N 1.39 3.78 -0.19 2.92 1.01 -0.72 -1.80 120.40 126.79 2rqt s VAL 1096Ca 0.08 0.85 0.15 0.00 0.00 0.00 0.00 61.98 63.06 2rqt s VAL 1096Cb -0.15 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.13 2rqt s VAL 1096CO 0.07 -0.45 0.41 0.35 0.00 0.00 0.00 175.10 175.49 2rqt n THR 1097N 6.70 0.00 -3.83 3.92 -2.24 0.82 -4.77 114.28 114.89 2rqt n THR 1097Ca 0.18 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2rqt n THR 1097Cb 0.46 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 -3.45 0.24 -0.02 3.38 0.00 0.60 -4.96 107.32 103.11 2rqt s GLY 1098Ca -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.14 2rqt s GLY 1098CO 0.64 0.58 -0.01 -0.54 0.00 0.00 0.00 173.10 173.76 2rqt s GLU 1099N -2.39 0.30 -0.17 2.90 2.02 -1.26 -0.12 118.70 119.99 2rqt s GLU 1099Ca 0.17 -0.01 -0.09 0.00 0.02 0.00 0.00 54.97 55.06 2rqt s GLU 1099Cb -0.04 -0.40 -0.07 0.00 0.10 0.00 0.00 34.13 33.72 2rqt s GLU 1099CO 0.09 -0.05 -0.22 0.39 0.02 0.00 0.00 175.26 175.49 2rqt n GLU 1100N 3.66 0.36 -4.27 1.61 -0.58 -0.50 -4.86 120.64 116.07 2rqt n GLU 1100Ca -0.21 0.16 -0.20 0.00 -0.42 0.00 0.00 57.16 56.48 2rqt n GLU 1100Cb 0.54 -1.11 -0.08 0.00 -0.57 0.00 0.00 31.44 30.22 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 -3.79 -0.52 0.14 1.62 2.03 0.95 -4.99 116.55 111.99 2rqt n ASP 1101Ca -0.32 -3.22 0.13 0.00 0.52 0.00 0.00 54.79 51.90 2rqt n ASP 1101Cb 0.71 1.63 0.40 0.00 -0.72 0.00 0.00 41.12 43.14 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 0.00 -0.67 3.07 -2.02 -2.93 115.11 112.56 2rqt h GLN 1102Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.49 2rqt h GLN 1102Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 2rqt h GLN 1102CO 0.36 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 178.43 2rqt n GLU 1103N -2.46 2.45 -3.60 0.06 0.28 -1.26 -4.86 120.64 111.25 2rqt n GLU 1103Ca 0.04 -1.33 -0.27 0.00 -0.16 0.00 0.00 57.16 55.45 2rqt n GLU 1103Cb 0.40 -0.94 -0.17 0.00 1.43 0.00 0.00 31.44 32.16 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 -0.83 0.22 0.39 -1.84 0.52 -1.11 -1.08 118.94 115.21 2rqt s TRP 1104Ca 0.00 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 55.78 2rqt s TRP 1104Cb 0.00 -0.73 -0.04 0.00 -1.15 0.00 0.00 33.47 31.55 2rqt s TRP 1104CO 0.00 -0.56 0.23 -1.58 0.02 0.00 0.00 176.95 175.06 2rqt s TRP 1105N 2.13 2.68 -0.09 -1.98 0.51 -0.69 -0.03 118.94 121.47 2rqt s TRP 1105Ca 0.03 -0.49 0.01 0.00 -2.12 0.00 0.00 56.10 53.54 2rqt s TRP 1105Cb -0.16 -1.92 -0.02 0.00 -0.81 0.00 0.00 33.47 30.55 2rqt s TRP 1105CO -0.14 0.14 -0.12 0.42 -0.51 0.00 0.00 176.95 176.74 2rqt s ILE 1106N -2.50 3.22 0.07 2.03 1.01 0.83 -0.26 121.20 125.61 2rqt s ILE 1106Ca 0.42 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 2rqt s ILE 1106Cb -0.00 -2.31 0.07 0.00 0.01 0.00 0.00 42.46 40.22 2rqt s ILE 1106CO 0.24 0.56 0.91 0.61 0.00 0.00 0.00 174.94 177.26 2rqt n GLY 1107N 2.85 0.55 3.14 6.18 0.00 -0.20 -0.12 105.19 117.59 2rqt n GLY 1107Ca -0.18 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.61 1.03 0.10 1.61 -3.43 -0.75 -1.00 115.29 110.25 2rqt s HIS 1108Ca 0.21 -0.50 -0.32 0.00 -0.80 0.00 0.00 55.06 53.65 2rqt s HIS 1108Cb -0.02 -0.59 -0.11 0.00 -1.43 0.00 0.00 32.58 30.44 2rqt s HIS 1108CO 0.02 0.01 1.83 -0.89 -2.00 0.00 0.00 174.74 173.71 2rqt n ILE 1109N 1.22 0.38 -2.04 -5.38 2.08 0.67 -0.58 119.36 115.71 2rqt n ILE 1109Ca -0.21 -0.07 -0.42 0.00 0.56 0.00 0.00 62.75 62.61 2rqt n ILE 1109Cb 0.55 -2.07 -0.03 0.00 -0.75 0.00 0.00 39.64 37.34 2rqt n ILE 1109CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2rqt s GLU 1110N 2.79 4.26 0.00 0.38 2.12 0.98 -1.60 118.70 127.64 2rqt s GLU 1110Ca 0.83 2.22 0.00 0.00 0.36 0.00 0.00 54.97 58.38 2rqt s GLU 1110Cb -0.51 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 30.63 2rqt s GLU 1110CO 0.39 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2rqt n GLY 1111N 3.66 0.67 3.15 -1.50 0.00 -1.26 -4.81 105.19 105.09 2rqt n GLY 1111Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 2rqt n GLY 1111CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rqt s GLN 1112N -0.77 0.72 0.00 1.61 0.74 -0.63 -5.01 119.66 116.32 2rqt s GLN 1112Ca 0.00 -0.22 0.08 0.00 0.05 0.00 0.00 55.36 55.28 2rqt s GLN 1112Cb 0.00 0.09 0.39 0.00 1.10 0.00 0.00 33.01 34.59 2rqt s GLN 1112CO 0.00 -1.05 1.19 -2.30 -0.55 0.00 0.00 175.29 172.58 2rqt n PRO 1113N 4.33 0.07 -0.26 1.67 -0.02 -1.21 -2.34 135.00 137.23 2rqt n PRO 1113Ca 0.10 0.27 -0.06 0.00 -2.02 0.00 0.00 63.50 61.80 2rqt n PRO 1113Cb 0.58 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.61 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 1.03 -5.41 -0.52 4.81 -1.95 -3.34 114.58 109.20 2rqt h GLU 1114Ca 0.00 -0.14 -0.66 0.00 -0.13 0.00 0.00 59.36 58.43 2rqt h GLU 1114Cb 0.11 -0.19 -0.15 0.00 0.63 0.00 0.00 28.75 29.15 2rqt h GLU 1114CO 0.00 0.79 1.10 1.03 -0.73 0.00 0.00 179.01 181.20 2rqt s ARG 1115N -5.76 3.62 0.16 1.92 0.52 -0.99 -4.96 118.95 113.46 2rqt s ARG 1115Ca -0.13 -1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 53.51 2rqt s ARG 1115Cb 0.15 -5.08 -0.04 0.00 0.52 0.00 0.00 34.95 30.49 2rqt s ARG 1115CO 0.80 -1.93 0.07 -1.59 0.02 0.00 0.00 175.30 172.67 2rqt s LYS 1116N 3.47 1.06 0.00 3.54 -2.85 -1.25 -0.24 119.74 123.46 2rqt s LYS 1116Ca 0.38 -1.52 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 2rqt s LYS 1116Cb -0.03 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2rqt s LYS 1116CO -0.09 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.50 2rqt n GLY 1117N -0.19 -0.08 3.84 0.59 0.00 -0.17 -4.75 105.19 104.43 2rqt n GLY 1117Ca -0.03 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.84 4.99 -0.01 1.61 -7.23 -0.68 -1.03 120.40 114.21 2rqt s VAL 1118Ca 0.00 0.86 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2rqt s VAL 1118Cb 0.00 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.22 2rqt s VAL 1118CO 0.00 0.55 0.00 0.72 -0.31 0.00 0.00 175.10 176.07 2rqt s PHE 1119N -1.11 0.06 0.03 2.82 -0.71 0.64 -2.34 117.98 117.37 2rqt s PHE 1119Ca 0.25 0.03 -0.30 0.00 -1.04 0.00 0.00 56.93 55.87 2rqt s PHE 1119Cb -0.17 -0.11 -0.07 0.00 -1.21 0.00 0.00 43.02 41.46 2rqt s PHE 1119CO 0.14 -0.03 1.65 -1.25 -1.34 0.00 0.00 175.22 174.39 2rqt s PRO 1120N 0.34 4.20 0.51 1.99 0.04 -1.26 -1.70 135.00 139.12 2rqt s PRO 1120Ca -0.03 2.28 0.26 0.00 0.04 0.00 0.00 61.00 63.56 2rqt s PRO 1120Cb -0.04 -3.72 1.40 0.00 0.04 0.00 0.00 34.50 32.17 2rqt s PRO 1120CO -0.01 -0.76 2.06 0.28 0.04 0.00 0.00 177.00 178.61 2rqt h VAL 1121N 5.04 0.61 0.00 -0.36 2.07 -1.44 -2.01 116.25 120.17 2rqt h VAL 1121Ca -0.42 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2rqt h VAL 1121Cb 1.20 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2rqt h VAL 1121CO 0.93 0.13 0.00 0.77 0.02 0.00 0.00 177.57 179.42 2rqt h SER 1122N 0.00 0.00 -0.11 0.57 4.64 -1.90 -2.60 113.55 114.14 2rqt h SER 1122Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rqt h SER 1122Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2rqt h SER 1122CO 0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.47 2rqt n PHE 1123N -2.50 0.12 -4.26 4.77 3.01 -0.75 -4.94 117.46 112.91 2rqt n PHE 1123Ca 0.01 -0.06 -0.20 0.00 1.01 0.00 0.00 57.45 58.22 2rqt n PHE 1123Cb 0.23 0.00 -0.13 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 -1.88 1.19 -0.25 -4.37 -7.23 -0.98 -0.30 120.40 106.58 2rqt s VAL 1124Ca 0.32 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 59.19 2rqt s VAL 1124Cb 0.21 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2rqt s VAL 1124CO 0.31 -0.12 0.10 -2.28 -0.31 0.00 0.00 175.10 172.81 2rqt s HIS 1125N -1.10 3.14 0.19 2.82 2.46 0.12 -4.82 115.29 118.10 2rqt s HIS 1125Ca 0.00 -0.20 -0.30 0.00 0.47 0.00 0.00 55.06 55.03 2rqt s HIS 1125Cb -0.09 -2.26 -0.08 0.00 -0.13 0.00 0.00 32.58 30.02 2rqt s HIS 1125CO 0.02 -0.24 1.11 0.42 -2.47 0.00 0.00 174.74 173.59 2rqt s ILE 1126N 1.49 3.78 -0.30 0.89 1.01 -1.26 0.27 121.20 127.09 2rqt s ILE 1126Ca 0.06 1.56 -0.11 0.00 0.00 0.00 0.00 60.65 62.17 2rqt s ILE 1126Cb -0.15 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2rqt s ILE 1126CO 0.05 0.28 0.17 -0.76 0.00 0.00 0.00 174.94 174.69 2rqt s LEU 1127N -0.49 4.06 -0.34 2.97 1.43 0.97 -4.90 118.68 122.38 2rqt s LEU 1127Ca 0.49 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2rqt s LEU 1127Cb -0.30 -2.07 0.24 0.00 0.03 0.00 0.00 46.19 44.09 2rqt s LEU 1127CO 0.36 -0.12 2.00 -1.20 0.23 0.00 0.00 176.35 177.61 2rqt n SER 1128N 5.03 6.43 0.00 2.29 7.64 -1.26 -2.65 113.62 131.11 2rqt n SER 1128Ca -0.14 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.64 2rqt n SER 1128Cb 0.51 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2rqt n SER 1128CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13