#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 0.28 0.34 1.45 6.06 -1.24 -3.55 118.95 122.29 2rqt s ARG 1070Ca 0.00 -0.52 0.05 0.00 -2.50 0.00 0.00 55.73 52.76 2rqt s ARG 1070Cb 0.00 -1.02 -0.07 0.00 0.06 0.00 0.00 34.95 33.92 2rqt s ARG 1070CO 0.00 -1.05 0.04 1.03 -2.50 0.00 0.00 175.30 172.82 2rqt s ARG 1071N 2.04 1.71 0.01 5.12 0.52 -1.18 -1.82 118.95 125.35 2rqt s ARG 1071Ca 0.10 -1.95 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 2rqt s ARG 1071Cb -0.16 -1.06 -0.01 0.00 0.52 0.00 0.00 34.95 34.24 2rqt s ARG 1071CO -0.31 -0.14 -0.02 0.14 0.02 0.00 0.00 175.30 175.00 2rqt s VAL 1072N -3.14 0.07 -0.39 3.52 -7.23 0.91 -0.02 120.40 114.12 2rqt s VAL 1072Ca 0.36 -0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 2rqt s VAL 1072Cb 0.09 -0.14 0.07 0.00 0.56 0.00 0.00 36.38 36.95 2rqt s VAL 1072CO 0.16 -0.23 0.19 -0.75 -0.31 0.00 0.00 175.10 174.16 2rqt s LYS 1073N -0.69 2.56 -0.24 4.82 2.47 0.14 -0.94 119.74 127.85 2rqt s LYS 1073Ca -0.07 -1.38 -0.33 0.00 -1.56 0.00 0.00 55.97 52.63 2rqt s LYS 1073Cb -0.05 -3.64 -0.09 0.00 -1.46 0.00 0.00 37.83 32.59 2rqt s LYS 1073CO -0.00 -0.85 2.13 0.25 0.16 0.00 0.00 175.35 177.03 2rqt n THR 1074N 4.85 0.33 0.23 3.43 -2.24 -0.50 0.29 114.28 120.67 2rqt n THR 1074Ca -0.10 -0.29 0.10 0.00 -2.27 0.00 0.00 64.05 61.50 2rqt n THR 1074Cb 0.43 -2.00 0.19 0.00 -2.10 0.00 0.00 70.33 66.86 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 6.88 0.53 -3.81 2.28 -5.35 -0.55 -0.34 119.36 118.99 2rqt n ILE 1075Ca 0.33 -0.77 -0.13 0.00 -0.27 0.00 0.00 62.75 61.92 2rqt n ILE 1075Cb 0.31 0.94 -0.12 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.35 -0.20 -0.11 4.28 2.02 -1.01 -4.96 117.35 116.02 2rqt s TYR 1076Ca 0.35 0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 57.24 2rqt s TYR 1076Cb 0.20 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.79 2rqt s TYR 1076CO 0.28 -0.10 1.61 0.34 -1.57 0.00 0.00 175.55 176.12 2rqt s ASP 1077N 0.10 6.61 -0.31 2.29 2.15 -1.26 -4.06 116.67 122.19 2rqt s ASP 1077Ca -0.00 2.02 0.01 0.00 0.43 0.00 0.00 52.55 55.01 2rqt s ASP 1077Cb -0.01 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.14 2rqt s ASP 1077CO 0.00 -1.00 -0.01 0.00 -0.17 0.00 0.00 175.17 173.99 2rqt s GLN 1079N 1.13 3.32 0.52 0.00 0.74 -1.26 -1.82 119.66 122.29 2rqt s GLN 1079Ca -0.02 -1.67 -0.21 0.00 0.05 0.00 0.00 55.36 53.51 2rqt s GLN 1079Cb -0.20 -4.48 -0.07 0.00 1.10 0.00 0.00 33.01 29.36 2rqt s GLN 1079CO -0.04 -1.56 1.04 0.00 -0.55 0.00 0.00 175.29 174.17 2rqt n ALA 1080N 5.94 0.41 -0.05 1.58 0.00 -1.26 -4.94 120.51 122.18 2rqt n ALA 1080Ca 0.05 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 2rqt n ALA 1080Cb 0.45 -2.14 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.28 1.29 -4.61 0.00 2.03 -1.26 -4.93 116.55 108.79 2rqt n ASP 1081Ca 0.11 0.15 -0.24 0.00 0.52 0.00 0.00 54.79 55.33 2rqt n ASP 1081Cb 0.44 -0.15 -0.08 0.00 -0.72 0.00 0.00 41.12 40.61 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 -6.34 4.37 0.37 1.67 -0.87 -1.26 -5.01 114.94 107.87 2rqt s ASN 1082Ca -0.17 -0.66 0.27 0.00 -1.57 0.00 0.00 52.86 50.73 2rqt s ASN 1082Cb 0.07 -0.76 1.09 0.00 -0.02 0.00 0.00 41.25 41.64 2rqt s ASN 1082CO 0.76 0.03 1.81 0.44 -2.57 0.00 0.00 177.10 177.58 2rqt h ASP 1083N 2.21 0.00 0.31 -1.22 5.19 -2.01 -2.13 116.42 118.77 2rqt h ASP 1083Ca -0.44 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.88 2rqt h ASP 1083Cb 1.24 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 2rqt h ASP 1083CO 0.59 0.00 -0.37 0.44 -3.12 0.00 0.00 179.24 176.78 2rqt h ASP 1084N 0.00 0.09 -3.64 6.45 3.32 -1.95 -3.43 116.42 117.27 2rqt h ASP 1084Ca 0.00 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.52 2rqt h ASP 1084Cb 0.46 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2rqt h ASP 1084CO 0.00 0.46 0.07 -1.61 -1.72 0.00 0.00 179.24 176.43 2rqt s GLU 1085N -4.21 3.83 0.02 3.56 2.02 -0.80 -1.20 118.70 121.92 2rqt s GLU 1085Ca -0.03 0.46 -0.18 0.00 0.02 0.00 0.00 54.97 55.24 2rqt s GLU 1085Cb 0.14 -2.45 -0.06 0.00 0.10 0.00 0.00 34.13 31.86 2rqt s GLU 1085CO 0.74 0.07 0.50 -1.17 0.02 0.00 0.00 175.26 175.42 2rqt s LEU 1086N -3.49 4.48 -0.25 1.80 2.96 0.23 -4.73 118.68 119.67 2rqt s LEU 1086Ca 0.51 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 55.44 2rqt s LEU 1086Cb -0.10 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 2rqt s LEU 1086CO 0.26 0.25 0.09 -0.89 -1.32 0.00 0.00 176.35 174.75 2rqt s THR 1087N -0.86 4.53 0.08 3.68 2.01 -1.26 -4.27 115.64 119.55 2rqt s THR 1087Ca 0.27 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 2rqt s THR 1087Cb -0.18 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 2rqt s THR 1087CO 0.16 0.33 0.18 0.72 -0.69 0.00 0.00 174.62 175.32 2rqt s PHE 1088N 1.60 0.14 0.24 4.92 -0.12 -0.76 -4.99 117.98 119.01 2rqt s PHE 1088Ca 0.06 -0.53 0.11 0.00 -0.05 0.00 0.00 56.93 56.52 2rqt s PHE 1088Cb -0.15 -0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 2rqt s PHE 1088CO 0.05 -0.51 -0.14 0.96 -0.05 0.00 0.00 175.22 175.52 2rqt s ILE 1089N -3.57 2.80 -0.08 -4.49 -0.00 -1.26 -0.69 121.20 113.92 2rqt s ILE 1089Ca 0.03 -2.10 -0.30 0.00 -0.00 0.00 0.00 60.65 58.27 2rqt s ILE 1089Cb 0.04 -2.44 -0.08 0.00 -0.00 0.00 0.00 42.46 39.97 2rqt s ILE 1089CO -0.09 -0.29 2.04 1.21 -0.00 0.00 0.00 174.94 177.81 2rqt n GLU 1090N -0.41 2.41 0.00 0.37 2.13 -1.26 -2.43 120.64 121.45 2rqt n GLU 1090Ca -0.08 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2rqt n GLU 1090Cb 0.58 -2.99 0.00 0.00 0.27 0.00 0.00 31.44 29.30 2rqt n GLU 1090CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rqt n GLY 1091N 4.97 1.11 3.93 8.31 0.00 0.54 -4.99 105.19 119.05 2rqt n GLY 1091Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.06 3.51 -0.22 1.61 0.41 -1.02 -4.83 118.70 118.11 2rqt s GLU 1092Ca 0.00 -0.14 -0.12 0.00 -0.41 0.00 0.00 54.97 54.30 2rqt s GLU 1092Cb 0.00 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 2rqt s GLU 1092CO 0.00 0.03 0.22 0.08 -0.49 0.00 0.00 175.26 175.10 2rqt s VAL 1093N -2.45 5.33 -0.14 2.63 1.01 -1.26 -1.41 120.40 124.10 2rqt s VAL 1093Ca 0.43 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 2rqt s VAL 1093Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2rqt s VAL 1093CO 0.39 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 175.07 2rqt s ILE 1094N 0.95 3.04 -0.26 2.22 1.01 -0.11 -0.40 121.20 127.65 2rqt s ILE 1094Ca 0.11 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 2rqt s ILE 1094Cb -0.13 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2rqt s ILE 1094CO 0.04 0.52 0.29 -0.63 0.00 0.00 0.00 174.94 175.16 2rqt s ILE 1095N 0.45 5.24 -0.30 2.92 1.01 -0.36 -0.06 121.20 130.10 2rqt s ILE 1095Ca -0.09 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 2rqt s ILE 1095Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2rqt s ILE 1095CO 0.05 0.22 1.51 -0.69 0.00 0.00 0.00 174.94 176.03 2rqt s VAL 1096N 1.74 3.82 -1.55 2.92 1.01 -0.76 -1.77 120.40 125.82 2rqt s VAL 1096Ca 0.12 0.90 0.15 0.00 0.00 0.00 0.00 61.98 63.14 2rqt s VAL 1096Cb -0.15 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.34 2rqt s VAL 1096CO 0.09 -0.47 0.87 0.35 0.00 0.00 0.00 175.10 175.94 2rqt n THR 1097N 6.68 0.00 -3.78 3.92 -2.24 0.86 -4.88 114.28 114.85 2rqt n THR 1097Ca 0.18 -0.42 0.02 0.00 -2.27 0.00 0.00 64.05 61.56 2rqt n THR 1097Cb 0.46 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 -1.51 -0.27 -0.02 3.38 0.00 0.47 -4.94 107.32 104.44 2rqt s GLY 1098Ca 0.14 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 2rqt s GLY 1098CO 0.28 2.34 0.03 -0.54 0.00 0.00 0.00 173.10 175.22 2rqt s GLU 1099N -2.26 0.02 0.00 2.90 2.02 -1.26 -0.00 118.70 120.11 2rqt s GLU 1099Ca 0.20 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.29 2rqt s GLU 1099Cb 0.02 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.19 2rqt s GLU 1099CO -0.02 -0.06 0.00 -0.85 0.02 0.00 0.00 175.26 174.35 2rqt n GLU 1100N 3.43 2.82 -1.74 1.61 0.28 -0.84 -4.86 120.64 121.33 2rqt n GLU 1100Ca -0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.82 2rqt n GLU 1100Cb 0.57 -0.72 -0.00 0.00 1.43 0.00 0.00 31.44 32.72 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 -1.05 -0.11 0.02 -1.84 2.03 0.18 -4.99 116.55 110.80 2rqt n ASP 1101Ca 0.00 -1.15 0.01 0.00 0.52 0.00 0.00 54.79 54.18 2rqt n ASP 1101Cb 0.00 0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.50 2rqt n ASP 1101CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2rqt n GLN 1102N -0.04 0.63 -0.08 -0.67 7.27 -1.26 -4.04 117.38 119.19 2rqt n GLN 1102Ca 0.00 0.13 0.03 0.00 0.07 0.00 0.00 57.00 57.23 2rqt n GLN 1102Cb 0.05 -1.74 0.07 0.00 2.41 0.00 0.00 30.24 31.03 2rqt n GLN 1102CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2rqt n GLU 1103N -2.77 2.82 -3.63 3.69 0.28 -1.26 -4.88 120.64 114.89 2rqt n GLU 1103Ca -0.11 -1.82 -0.28 0.00 -0.16 0.00 0.00 57.16 54.80 2rqt n GLU 1103Cb 0.82 -1.16 -0.16 0.00 1.43 0.00 0.00 31.44 32.37 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 -1.24 0.58 0.34 -1.84 0.52 -1.26 -0.85 118.94 115.20 2rqt s TRP 1104Ca 0.12 -0.77 0.08 0.00 0.02 0.00 0.00 56.10 55.55 2rqt s TRP 1104Cb 0.07 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 2rqt s TRP 1104CO 0.05 -0.67 0.15 -1.58 0.02 0.00 0.00 176.95 174.92 2rqt s TRP 1105N 2.01 2.71 -0.12 -1.98 0.51 -0.78 -0.64 118.94 120.65 2rqt s TRP 1105Ca 0.04 -0.39 -0.00 0.00 -2.12 0.00 0.00 56.10 53.63 2rqt s TRP 1105Cb -0.16 -1.67 -0.02 0.00 -0.81 0.00 0.00 33.47 30.81 2rqt s TRP 1105CO -0.19 0.32 -0.12 0.42 -0.51 0.00 0.00 176.95 176.86 2rqt s ILE 1106N -2.43 3.16 0.08 2.03 1.01 0.99 -0.23 121.20 125.80 2rqt s ILE 1106Ca 0.38 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 2rqt s ILE 1106Cb -0.02 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.18 2rqt s ILE 1106CO 0.23 0.53 0.69 0.61 0.00 0.00 0.00 174.94 177.00 2rqt n GLY 1107N 3.35 0.72 3.17 6.18 0.00 -0.30 -0.10 105.19 118.22 2rqt n GLY 1107Ca -0.18 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.24 1.17 -0.03 1.61 -3.43 -0.73 -1.13 115.29 109.51 2rqt s HIS 1108Ca 0.16 -0.52 -0.30 0.00 -0.80 0.00 0.00 55.06 53.59 2rqt s HIS 1108Cb -0.01 -0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 30.44 2rqt s HIS 1108CO 0.02 0.05 1.44 0.42 -2.00 0.00 0.00 174.74 174.67 2rqt s ILE 1109N -1.69 3.74 0.27 -5.38 -1.09 -0.39 -1.22 121.20 115.44 2rqt s ILE 1109Ca 0.01 1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 59.20 2rqt s ILE 1109Cb -0.08 -3.69 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 2rqt s ILE 1109CO 0.02 -0.03 1.29 -0.70 -1.23 0.00 0.00 174.94 174.28 2rqt s GLU 1110N 2.86 4.40 0.00 2.79 2.56 0.47 -1.78 118.70 130.00 2rqt s GLU 1110Ca 0.65 2.10 0.00 0.00 0.00 0.00 0.00 54.97 57.72 2rqt s GLU 1110Cb -0.31 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.69 2rqt s GLU 1110CO 0.26 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 175.19 2rqt n GLY 1111N 1.56 3.22 2.53 -1.50 0.00 -1.26 -4.80 105.19 104.95 2rqt n GLY 1111Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.52 0.94 0.00 1.61 0.74 -0.73 -4.99 119.66 116.69 2rqt s GLN 1112Ca 0.00 -1.69 0.11 0.00 0.05 0.00 0.00 55.36 53.82 2rqt s GLN 1112Cb 0.00 -0.94 0.54 0.00 1.10 0.00 0.00 33.01 33.72 2rqt s GLN 1112CO 0.00 -1.36 1.21 -0.35 -0.55 0.00 0.00 175.29 174.24 2rqt n PRO 1113N 2.98 0.17 0.15 1.67 -0.04 -1.18 -1.67 135.00 137.07 2rqt n PRO 1113Ca 0.25 0.17 0.01 0.00 -0.04 0.00 0.00 63.50 63.88 2rqt n PRO 1113Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 2rqt n PRO 1113CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2rqt h GLU 1114N 0.00 0.00 -4.53 0.54 5.08 -1.94 -3.39 114.58 110.34 2rqt h GLU 1114Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 2rqt h GLU 1114Cb 0.09 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.13 2rqt h GLU 1114CO 0.00 0.56 0.42 0.50 -1.00 0.00 0.00 179.01 179.49 2rqt s ARG 1115N -3.44 3.49 0.08 2.33 3.52 -0.67 -4.98 118.95 119.28 2rqt s ARG 1115Ca 0.00 -1.93 -0.01 0.00 -0.13 0.00 0.00 55.73 53.66 2rqt s ARG 1115Cb 0.11 -4.61 -0.04 0.00 -1.56 0.00 0.00 34.95 28.86 2rqt s ARG 1115CO 0.74 -1.55 0.00 -1.59 -0.81 0.00 0.00 175.30 172.09 2rqt s LYS 1116N 1.77 0.73 0.00 5.12 -2.85 -1.26 -1.26 119.74 121.98 2rqt s LYS 1116Ca 0.23 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 2rqt s LYS 1116Cb -0.11 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2rqt s LYS 1116CO -0.06 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.63 2rqt n GLY 1117N 0.04 -0.53 3.76 0.59 0.00 -0.29 -4.84 105.19 103.92 2rqt n GLY 1117Ca -0.11 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.75 5.32 -0.00 1.61 -7.23 -0.34 -1.15 120.40 114.85 2rqt s VAL 1118Ca 0.00 0.49 0.04 0.00 -1.81 0.00 0.00 61.98 60.70 2rqt s VAL 1118Cb 0.00 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 2rqt s VAL 1118CO 0.00 0.44 -0.14 0.72 -0.31 0.00 0.00 175.10 175.82 2rqt s PHE 1119N 0.11 1.22 -0.02 2.82 -0.71 0.68 -0.60 117.98 121.48 2rqt s PHE 1119Ca 0.16 -0.25 -0.30 0.00 -1.04 0.00 0.00 56.93 55.50 2rqt s PHE 1119Cb -0.13 -0.78 -0.06 0.00 -1.21 0.00 0.00 43.02 40.84 2rqt s PHE 1119CO 0.04 -0.01 1.60 -1.25 -1.34 0.00 0.00 175.22 174.26 2rqt s PRO 1120N -0.43 4.20 0.51 1.99 0.04 -1.26 -1.86 135.00 138.20 2rqt s PRO 1120Ca 0.05 2.17 0.29 0.00 0.04 0.00 0.00 61.00 63.55 2rqt s PRO 1120Cb -0.06 -3.81 1.33 0.00 0.04 0.00 0.00 34.50 32.01 2rqt s PRO 1120CO -0.00 -0.76 2.00 0.28 0.04 0.00 0.00 177.00 178.55 2rqt h VAL 1121N 5.26 0.41 0.00 -0.36 2.07 -1.33 -2.19 116.25 120.10 2rqt h VAL 1121Ca -0.40 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2rqt h VAL 1121Cb 1.18 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2rqt h VAL 1121CO 0.94 0.12 0.00 -0.24 0.02 0.00 0.00 177.57 178.41 2rqt n SER 1122N -3.41 0.10 0.00 0.57 2.88 -1.26 -2.39 113.62 110.11 2rqt n SER 1122Ca -0.01 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2rqt n SER 1122Cb 0.30 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.45 0.00 -4.32 0.66 3.01 -0.82 -5.01 117.46 110.53 2rqt n PHE 1123Ca 0.00 -0.02 -0.17 0.00 1.01 0.00 0.00 57.45 58.27 2rqt n PHE 1123Cb 0.03 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.05 1.35 -0.33 -4.37 -7.23 -1.00 -1.49 120.40 107.28 2rqt s VAL 1124Ca 0.00 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 2rqt s VAL 1124Cb 0.00 -2.11 0.09 0.00 0.56 0.00 0.00 36.38 34.91 2rqt s VAL 1124CO 0.00 -0.54 0.05 -2.28 -0.31 0.00 0.00 175.10 172.02 2rqt s HIS 1125N -3.21 3.53 0.23 2.82 2.46 0.15 -4.78 115.29 116.48 2rqt s HIS 1125Ca 0.23 -2.52 -0.31 0.00 0.47 0.00 0.00 55.06 52.93 2rqt s HIS 1125Cb 0.03 -2.65 -0.11 0.00 -0.13 0.00 0.00 32.58 29.72 2rqt s HIS 1125CO 0.06 -0.91 1.60 0.42 -2.47 0.00 0.00 174.74 173.43 2rqt s ILE 1126N 1.06 2.29 -0.08 0.89 1.01 -1.26 0.26 121.20 125.37 2rqt s ILE 1126Ca 0.03 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 2rqt s ILE 1126Cb -0.20 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2rqt s ILE 1126CO -0.05 0.03 0.27 -0.76 0.00 0.00 0.00 174.94 174.43 2rqt s LEU 1127N 0.39 4.39 0.00 2.97 1.43 0.97 -4.87 118.68 123.96 2rqt s LEU 1127Ca 0.67 0.66 0.09 0.00 -1.03 0.00 0.00 54.13 54.53 2rqt s LEU 1127Cb -0.46 -2.33 0.32 0.00 0.03 0.00 0.00 46.19 43.75 2rqt s LEU 1127CO 0.39 0.32 1.24 -1.54 0.23 0.00 0.00 176.35 176.98 2rqt n SER 1128N 2.24 1.07 0.00 2.29 3.41 -1.26 -3.09 113.62 118.28 2rqt n SER 1128Ca -0.16 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 2rqt n SER 1128Cb 0.53 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2rqt n SER 1128CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98