#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 4.00 0.41 5.55 1.70 -1.26 -4.82 118.95 124.52 2rqt s ARG 1070Ca 0.00 2.27 0.04 0.00 -0.47 0.00 0.00 55.73 57.57 2rqt s ARG 1070Cb 0.00 -2.82 -0.05 0.00 -0.57 0.00 0.00 34.95 31.51 2rqt s ARG 1070CO 0.00 -0.51 0.05 1.03 -1.08 0.00 0.00 175.30 174.79 2rqt s ARG 1071N -2.19 1.91 0.03 3.89 0.52 -1.09 -0.89 118.95 121.13 2rqt s ARG 1071Ca 0.56 -2.13 -0.01 0.00 -0.52 0.00 0.00 55.73 53.62 2rqt s ARG 1071Cb -0.41 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 2rqt s ARG 1071CO 0.53 -0.25 -0.00 0.14 0.02 0.00 0.00 175.30 175.73 2rqt s VAL 1072N -3.04 0.15 -0.27 3.52 -7.23 0.14 0.31 120.40 113.99 2rqt s VAL 1072Ca 0.26 -1.21 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2rqt s VAL 1072Cb 0.06 -0.76 0.03 0.00 0.56 0.00 0.00 36.38 36.27 2rqt s VAL 1072CO 0.13 -0.67 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.49 2rqt s LYS 1073N -2.41 2.79 -0.14 4.82 2.47 0.16 -0.35 119.74 127.07 2rqt s LYS 1073Ca -0.07 -1.02 -0.29 0.00 -1.56 0.00 0.00 55.97 53.03 2rqt s LYS 1073Cb -0.03 -3.11 -0.06 0.00 -1.46 0.00 0.00 37.83 33.17 2rqt s LYS 1073CO -0.04 -0.46 1.99 0.95 0.16 0.00 0.00 175.35 177.95 2rqt s THR 1074N 1.35 3.18 -0.80 3.43 -4.23 0.14 0.06 115.64 118.77 2rqt s THR 1074Ca -0.01 0.20 0.23 0.00 -1.18 0.00 0.00 61.69 60.93 2rqt s THR 1074Cb -0.17 -3.19 -0.15 0.00 1.34 0.00 0.00 72.50 70.32 2rqt s THR 1074CO -0.02 -0.09 1.02 2.30 -0.54 0.00 0.00 174.62 177.29 2rqt n ILE 1075N 6.76 0.06 -4.25 2.99 -5.35 0.28 -0.08 119.36 119.76 2rqt n ILE 1075Ca 0.24 -0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 62.45 2rqt n ILE 1075Cb 0.44 0.51 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 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 -3.10 1.31 -0.06 4.28 2.02 -1.04 -4.78 117.35 115.97 2rqt s TYR 1076Ca 0.06 -0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 55.89 2rqt s TYR 1076Cb 0.16 -0.67 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2rqt s TYR 1076CO 0.82 0.11 0.47 0.16 -1.57 0.00 0.00 175.55 175.53 2rqt s ASP 1077N -2.98 6.77 -0.23 2.29 -4.77 -1.26 -3.76 116.67 112.73 2rqt s ASP 1077Ca 0.15 0.91 0.02 0.00 -3.30 0.00 0.00 52.55 50.33 2rqt s ASP 1077Cb 0.00 -2.28 0.05 0.00 -1.09 0.00 0.00 42.92 39.60 2rqt s ASP 1077CO 0.02 0.13 -0.11 0.00 0.70 0.00 0.00 175.17 175.91 2rqt s GLN 1079N 1.25 3.22 0.13 0.00 1.11 -1.26 -1.25 119.66 122.86 2rqt s GLN 1079Ca -0.04 -1.33 -0.35 0.00 0.01 0.00 0.00 55.36 53.64 2rqt s GLN 1079Cb -0.18 -4.41 -0.15 0.00 -1.01 0.00 0.00 33.01 27.26 2rqt s GLN 1079CO -0.07 -1.67 1.49 0.00 0.01 0.00 0.00 175.29 175.06 2rqt n ALA 1080N 6.67 0.54 -0.07 6.09 0.00 -1.24 -4.89 120.51 127.61 2rqt n ALA 1080Ca 0.01 0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.78 2rqt n ALA 1080Cb 0.45 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 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 3.11 1.09 -4.87 0.00 2.03 -1.26 -4.94 116.55 111.71 2rqt n ASP 1081Ca 0.17 0.10 -0.33 0.00 0.52 0.00 0.00 54.79 55.25 2rqt n ASP 1081Cb 0.25 0.06 -0.05 0.00 -0.72 0.00 0.00 41.12 40.66 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 -6.17 6.64 0.49 1.67 3.84 -1.26 -4.98 114.94 115.17 2rqt s ASN 1082Ca -0.17 0.83 0.29 0.00 0.21 0.00 0.00 52.86 54.01 2rqt s ASN 1082Cb 0.07 -2.19 1.09 0.00 -0.55 0.00 0.00 41.25 39.67 2rqt s ASN 1082CO 0.76 0.08 1.88 -0.78 -2.79 0.00 0.00 177.10 176.25 2rqt h ASP 1083N 3.22 0.00 -0.16 -4.21 3.58 -2.02 -2.01 116.42 114.83 2rqt h ASP 1083Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2rqt h ASP 1083Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2rqt h ASP 1083CO 0.68 0.10 0.00 -0.67 -2.88 0.00 0.00 179.24 176.47 2rqt n ASP 1084N -3.22 1.88 -4.97 2.28 2.03 -1.26 -4.87 116.55 108.43 2rqt n ASP 1084Ca 0.01 -1.71 -0.19 0.00 0.52 0.00 0.00 54.79 53.42 2rqt n ASP 1084Cb 0.38 -0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2rqt n ASP 1084CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2rqt s GLU 1085N -1.81 2.91 -0.05 -0.67 2.12 -0.76 -0.93 118.70 119.52 2rqt s GLU 1085Ca 0.34 -1.18 0.03 0.00 0.36 0.00 0.00 54.97 54.51 2rqt s GLU 1085Cb 0.19 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2rqt s GLU 1085CO 0.28 -0.09 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.63 2rqt s LEU 1086N -4.22 2.95 -0.22 2.70 2.96 -0.89 -4.69 118.68 117.27 2rqt s LEU 1086Ca 0.49 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 54.19 2rqt s LEU 1086Cb -0.09 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2rqt s LEU 1086CO 0.31 0.34 0.09 -0.89 -1.32 0.00 0.00 176.35 174.89 2rqt s THR 1087N -0.80 4.84 0.22 3.68 2.01 -1.26 -3.72 115.64 120.62 2rqt s THR 1087Ca 0.13 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 2rqt s THR 1087Cb -0.11 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.21 2rqt s THR 1087CO 0.02 0.39 0.61 0.72 -0.69 0.00 0.00 174.62 175.67 2rqt s PHE 1088N 0.88 -0.19 0.33 4.92 -0.12 -0.38 -4.96 117.98 118.45 2rqt s PHE 1088Ca 0.05 -0.17 0.05 0.00 -0.05 0.00 0.00 56.93 56.81 2rqt s PHE 1088Cb -0.13 0.53 -0.06 0.00 -0.63 0.00 0.00 43.02 42.72 2rqt s PHE 1088CO 0.03 -1.03 0.01 0.96 -0.05 0.00 0.00 175.22 175.14 2rqt s ILE 1089N -3.88 1.51 -0.07 -4.49 -0.00 -1.26 -0.22 121.20 112.79 2rqt s ILE 1089Ca 0.09 -2.04 -0.33 0.00 -0.00 0.00 0.00 60.65 58.37 2rqt s ILE 1089Cb -0.03 -2.72 -0.11 0.00 -0.00 0.00 0.00 42.46 39.60 2rqt s ILE 1089CO -0.00 -0.10 1.94 -0.62 -0.00 0.00 0.00 174.94 176.15 2rqt n GLU 1090N -0.71 2.35 0.00 0.37 4.71 -1.25 -2.43 120.64 123.68 2rqt n GLU 1090Ca -0.04 0.85 0.00 0.00 -0.01 0.00 0.00 57.16 57.96 2rqt n GLU 1090Cb 0.66 -2.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 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 4.57 1.12 3.81 0.62 0.00 0.88 -4.99 105.19 111.20 2rqt n GLY 1091Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.03 4.28 -0.23 1.61 0.41 -1.02 -4.83 118.70 118.89 2rqt s GLU 1092Ca 0.00 0.87 -0.11 0.00 -0.41 0.00 0.00 54.97 55.32 2rqt s GLU 1092Cb 0.00 -3.03 -0.05 0.00 -1.78 0.00 0.00 34.13 29.28 2rqt s GLU 1092CO 0.00 0.48 0.19 0.08 -0.49 0.00 0.00 175.26 175.52 2rqt s VAL 1093N -1.37 5.35 -0.11 2.63 1.01 -1.26 -0.69 120.40 125.96 2rqt s VAL 1093Ca 0.38 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2rqt s VAL 1093Cb -0.18 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2rqt s VAL 1093CO 0.22 0.35 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 2rqt s ILE 1094N 0.97 3.22 -0.30 2.22 1.01 0.53 -0.15 121.20 128.71 2rqt s ILE 1094Ca 0.09 -0.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 2rqt s ILE 1094Cb -0.13 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2rqt s ILE 1094CO 0.04 0.54 0.50 -0.63 0.00 0.00 0.00 174.94 175.40 2rqt s ILE 1095N -0.01 5.05 -0.35 2.92 1.01 0.95 0.29 121.20 131.06 2rqt s ILE 1095Ca -0.03 0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 2rqt s ILE 1095Cb -0.14 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 2rqt s ILE 1095CO 0.04 -0.03 1.67 -0.69 0.00 0.00 0.00 174.94 175.92 2rqt s VAL 1096N 2.33 3.62 -1.23 2.92 1.01 -0.07 -1.68 120.40 127.30 2rqt s VAL 1096Ca 0.20 0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.92 2rqt s VAL 1096Cb -0.16 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.46 2rqt s VAL 1096CO 0.11 -0.52 0.79 0.35 0.00 0.00 0.00 175.10 175.83 2rqt n THR 1097N 7.27 0.00 -3.63 3.92 -2.24 0.76 -4.54 114.28 115.82 2rqt n THR 1097Ca 0.21 -0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 2rqt n THR 1097Cb 0.47 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.02 -0.35 -0.06 3.38 0.00 0.64 -4.92 107.32 104.99 2rqt s GLY 1098Ca 0.11 0.70 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 2rqt s GLY 1098CO 0.17 0.20 0.01 -0.54 0.00 0.00 0.00 173.10 172.93 2rqt s GLU 1099N -2.96 0.52 -0.23 2.90 2.02 -1.26 -0.11 118.70 119.58 2rqt s GLU 1099Ca 0.10 0.13 -0.15 0.00 0.02 0.00 0.00 54.97 55.08 2rqt s GLU 1099Cb -0.00 -0.89 -0.17 0.00 0.10 0.00 0.00 34.13 33.17 2rqt s GLU 1099CO -0.03 -0.29 -0.05 0.39 0.02 0.00 0.00 175.26 175.30 2rqt n GLU 1100N 5.09 0.60 -1.01 1.61 -0.58 -0.19 -4.90 120.64 121.27 2rqt n GLU 1100Ca -0.08 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2rqt n GLU 1100Cb 0.50 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 -4.15 0.14 0.08 1.62 2.03 0.11 -4.98 116.55 111.40 2rqt n ASP 1101Ca -0.43 -0.50 -0.13 0.00 0.52 0.00 0.00 54.79 54.25 2rqt n ASP 1101Cb 0.83 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.10 2rqt n ASP 1101CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2rqt h GLN 1102N 0.00 0.18 -0.15 -0.67 4.20 -2.02 -3.32 115.11 113.33 2rqt h GLN 1102Ca 0.00 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2rqt h GLN 1102Cb 0.00 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2rqt h GLN 1102CO 0.00 1.12 0.00 -0.85 -0.67 0.00 0.00 178.83 178.43 2rqt n GLU 1103N -3.46 2.80 -3.72 1.46 0.28 -1.26 -4.85 120.64 111.89 2rqt n GLU 1103Ca -0.07 -1.89 -0.27 0.00 -0.16 0.00 0.00 57.16 54.78 2rqt n GLU 1103Cb 1.00 -1.20 -0.17 0.00 1.43 0.00 0.00 31.44 32.51 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 -1.28 0.89 0.37 -1.84 0.52 -1.25 -0.26 118.94 116.09 2rqt s TRP 1104Ca 0.14 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.61 2rqt s TRP 1104Cb 0.09 -0.97 -0.06 0.00 -1.15 0.00 0.00 33.47 31.39 2rqt s TRP 1104CO 0.07 -0.58 0.05 -1.58 0.02 0.00 0.00 176.95 174.93 2rqt s TRP 1105N 1.90 2.55 -0.09 -1.98 0.51 -0.70 0.06 118.94 121.19 2rqt s TRP 1105Ca -0.00 -0.53 0.02 0.00 -2.12 0.00 0.00 56.10 53.47 2rqt s TRP 1105Cb -0.17 -1.66 -0.02 0.00 -0.81 0.00 0.00 33.47 30.81 2rqt s TRP 1105CO -0.08 0.40 -0.14 0.42 -0.51 0.00 0.00 176.95 177.05 2rqt s ILE 1106N -2.58 3.06 0.10 2.03 1.01 0.85 -0.34 121.20 125.33 2rqt s ILE 1106Ca 0.36 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2rqt s ILE 1106Cb 0.03 -2.24 0.07 0.00 0.01 0.00 0.00 42.46 40.33 2rqt s ILE 1106CO 0.20 0.56 0.89 0.61 0.00 0.00 0.00 174.94 177.20 2rqt n GLY 1107N 2.91 0.61 3.10 6.18 0.00 -0.21 -0.17 105.19 117.61 2rqt n GLY 1107Ca -0.18 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.67 0.92 0.08 1.61 -3.43 -0.68 -1.03 115.29 110.09 2rqt s HIS 1108Ca 0.20 -0.44 -0.31 0.00 -0.80 0.00 0.00 55.06 53.72 2rqt s HIS 1108Cb -0.02 -0.53 -0.09 0.00 -1.43 0.00 0.00 32.58 30.50 2rqt s HIS 1108CO 0.03 -0.01 1.79 0.42 -2.00 0.00 0.00 174.74 174.97 2rqt s ILE 1109N -1.18 2.82 0.15 -5.38 -1.09 0.65 -0.03 121.20 117.14 2rqt s ILE 1109Ca -0.05 0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 58.27 2rqt s ILE 1109Cb -0.09 -3.14 -0.11 0.00 -1.58 0.00 0.00 42.46 37.55 2rqt s ILE 1109CO 0.01 -0.00 1.73 -0.70 -1.23 0.00 0.00 174.94 174.75 2rqt s GLU 1110N 3.07 4.15 0.00 2.79 2.56 0.79 -1.20 118.70 130.87 2rqt s GLU 1110Ca 0.80 2.53 0.00 0.00 0.00 0.00 0.00 54.97 58.30 2rqt s GLU 1110Cb -0.43 -3.37 0.00 0.00 2.00 0.00 0.00 34.13 32.34 2rqt s GLU 1110CO 0.36 -0.77 0.00 0.41 -0.56 0.00 0.00 175.26 174.70 2rqt n GLY 1111N 4.05 3.32 2.51 -1.50 0.00 -1.26 -4.88 105.19 107.42 2rqt n GLY 1111Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.67 0.63 0.00 1.61 2.00 -0.34 -4.98 119.66 117.92 2rqt s GLN 1112Ca 0.00 -1.38 0.14 0.00 -2.00 0.00 0.00 55.36 52.12 2rqt s GLN 1112Cb 0.00 -1.19 0.73 0.00 0.80 0.00 0.00 33.01 33.34 2rqt s GLN 1112CO 0.00 -1.24 1.36 -0.35 -0.50 0.00 0.00 175.29 174.56 2rqt n PRO 1113N 3.85 0.23 0.14 1.67 -0.04 -1.24 -2.13 135.00 137.47 2rqt n PRO 1113Ca 0.15 0.13 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 2rqt n PRO 1113Cb 0.41 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.69 2rqt n PRO 1113CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2rqt h GLU 1114N 0.00 0.13 -4.16 0.54 4.22 -1.93 -3.37 114.58 110.00 2rqt h GLU 1114Ca 0.00 -0.05 -0.76 0.00 0.08 0.00 0.00 59.36 58.64 2rqt h GLU 1114Cb 0.11 -0.01 -0.24 0.00 0.50 0.00 0.00 28.75 29.12 2rqt h GLU 1114CO 0.00 0.44 -0.05 1.03 -2.18 0.00 0.00 179.01 178.26 2rqt s ARG 1115N -4.30 3.17 0.13 1.92 0.52 -0.91 -5.01 118.95 114.47 2rqt s ARG 1115Ca -0.04 -1.83 -0.10 0.00 -0.52 0.00 0.00 55.73 53.24 2rqt s ARG 1115Cb 0.14 -4.35 0.00 0.00 0.52 0.00 0.00 34.95 31.27 2rqt s ARG 1115CO 0.74 -1.37 0.26 -1.59 0.02 0.00 0.00 175.30 173.36 2rqt s LYS 1116N 1.47 1.02 0.00 3.54 -2.85 -1.26 -0.25 119.74 121.41 2rqt s LYS 1116Ca 0.09 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.04 2rqt s LYS 1116Cb -0.23 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2rqt s LYS 1116CO 0.00 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.50 2rqt n GLY 1117N -0.15 -0.18 3.82 0.59 0.00 -0.20 -4.72 105.19 104.34 2rqt n GLY 1117Ca -0.12 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.59 4.71 -0.04 1.61 -7.23 -0.10 -1.04 120.40 114.72 2rqt s VAL 1118Ca 0.00 1.15 -0.02 0.00 -1.81 0.00 0.00 61.98 61.30 2rqt s VAL 1118Cb 0.00 -3.86 0.02 0.00 0.56 0.00 0.00 36.38 33.10 2rqt s VAL 1118CO 0.00 0.39 0.09 0.72 -0.31 0.00 0.00 175.10 175.99 2rqt s PHE 1119N -1.30 -0.09 -0.00 2.82 -0.71 0.53 -2.09 117.98 117.14 2rqt s PHE 1119Ca 0.35 0.26 -0.30 0.00 -1.04 0.00 0.00 56.93 56.20 2rqt s PHE 1119Cb -0.18 -0.04 -0.06 0.00 -1.21 0.00 0.00 43.02 41.53 2rqt s PHE 1119CO 0.20 -0.08 1.56 -1.25 -1.34 0.00 0.00 175.22 174.30 2rqt s PRO 1120N 0.49 4.22 0.58 1.99 0.04 -1.26 -1.73 135.00 139.33 2rqt s PRO 1120Ca -0.04 2.14 0.35 0.00 0.04 0.00 0.00 61.00 63.49 2rqt s PRO 1120Cb -0.05 -3.72 1.73 0.00 0.04 0.00 0.00 34.50 32.49 2rqt s PRO 1120CO -0.02 -0.72 2.14 0.28 0.04 0.00 0.00 177.00 178.72 2rqt h VAL 1121N 5.12 0.19 0.00 -0.36 2.07 -0.96 -0.96 116.25 121.36 2rqt h VAL 1121Ca -0.39 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2rqt h VAL 1121Cb 1.18 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2rqt h VAL 1121CO 0.93 0.04 0.00 -0.24 0.02 0.00 0.00 177.57 178.32 2rqt n SER 1122N -3.27 0.08 -0.66 0.57 2.88 -1.26 -2.00 113.62 109.96 2rqt n SER 1122Ca -0.01 0.52 0.08 0.00 -1.33 0.00 0.00 58.87 58.13 2rqt n SER 1122Cb 0.21 -0.54 0.07 0.00 -0.75 0.00 0.00 64.21 63.21 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 -1.59 0.03 -4.08 0.66 3.01 -0.36 -4.94 117.46 110.18 2rqt n PHE 1123Ca 0.03 -0.02 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 2rqt n PHE 1123Cb 0.16 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.33 0.57 -0.23 -4.37 -7.23 -0.85 -0.56 120.40 106.40 2rqt s VAL 1124Ca 0.19 -1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 2rqt s VAL 1124Cb 0.14 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 36.23 2rqt s VAL 1124CO 0.20 -0.49 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.49 2rqt s HIS 1125N -1.86 2.99 0.13 2.82 3.76 0.11 -4.84 115.29 118.40 2rqt s HIS 1125Ca -0.05 -0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 2rqt s HIS 1125Cb -0.07 -2.14 -0.07 0.00 1.11 0.00 0.00 32.58 31.41 2rqt s HIS 1125CO -0.01 -0.51 1.22 0.42 -0.85 0.00 0.00 174.74 175.01 2rqt s ILE 1126N 1.51 3.73 -0.08 0.60 1.09 -1.26 0.36 121.20 127.15 2rqt s ILE 1126Ca 0.06 1.34 -0.03 0.00 -1.10 0.00 0.00 60.65 60.91 2rqt s ILE 1126Cb -0.15 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 2rqt s ILE 1126CO -0.02 0.16 0.07 -0.76 -0.10 0.00 0.00 174.94 174.29 2rqt s LEU 1127N 0.42 3.92 -0.13 2.97 1.43 0.15 -4.92 118.68 122.52 2rqt s LEU 1127Ca 0.56 0.25 0.13 0.00 -1.03 0.00 0.00 54.13 54.05 2rqt s LEU 1127Cb -0.32 -2.01 0.61 0.00 0.03 0.00 0.00 46.19 44.50 2rqt s LEU 1127CO 0.33 0.36 1.47 -1.54 0.23 0.00 0.00 176.35 177.20 2rqt n SER 1128N 1.87 4.24 0.00 2.29 3.41 -1.26 -2.68 113.62 121.49 2rqt n SER 1128Ca -0.18 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 2rqt n SER 1128Cb 0.54 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2rqt n SER 1128CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98