#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbw s GLN 1065N 0.00 2.19 0.12 -0.52 -1.52 -1.25 -2.20 119.66 116.48 3hbw s GLN 1065Ca 0.00 -2.96 -0.11 0.00 -1.95 0.00 0.00 55.36 50.34 3hbw s GLN 1065Cb 0.00 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.40 3hbw s GLN 1065CO 0.00 -1.20 0.47 -0.51 -0.25 0.00 0.00 175.29 173.80 3hbw s LEU 1066N -0.84 4.32 -0.28 2.90 1.43 0.64 -4.82 118.68 122.03 3hbw s LEU 1066Ca 0.21 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 54.04 3hbw s LEU 1066Cb -0.15 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3hbw s LEU 1066CO -0.08 0.11 0.44 -0.75 0.23 0.00 0.00 176.35 176.30 3hbw s LYS 1067N -2.07 3.96 0.00 1.70 2.20 -1.26 0.50 119.74 124.77 3hbw s LYS 1067Ca 0.37 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3hbw s LYS 1067Cb -0.14 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3hbw s LYS 1067CO 0.19 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 3hbw n GLY 1068N 4.62 5.21 2.93 5.54 0.00 0.16 -4.64 105.19 119.02 3hbw n GLY 1068Ca -0.07 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 3hbw n GLY 1068CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hbw s ILE 1069N -0.64 0.25 -0.23 -0.61 2.07 -1.00 -0.84 121.20 120.20 3hbw s ILE 1069Ca 0.00 -0.25 -0.16 0.00 -1.41 0.00 0.00 60.65 58.83 3hbw s ILE 1069Cb 0.00 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 3hbw s ILE 1069CO 0.00 -0.00 0.41 -0.69 -1.91 0.00 0.00 174.94 172.74 3hbw s VAL 1070N -0.25 5.17 0.18 4.00 1.01 0.51 -0.91 120.40 130.11 3hbw s VAL 1070Ca -0.01 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 3hbw s VAL 1070Cb -0.02 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3hbw s VAL 1070CO -0.00 0.19 0.50 0.28 0.00 0.00 0.00 175.10 176.07 3hbw s THR 1071N 1.73 0.03 0.22 3.92 -1.32 -0.07 0.19 115.64 120.34 3hbw s THR 1071Ca 0.18 -0.68 0.05 0.00 -1.21 0.00 0.00 61.69 60.03 3hbw s THR 1071Cb -0.15 -1.45 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 3hbw s THR 1071CO 0.09 -0.15 0.26 -0.54 -2.21 0.00 0.00 174.62 172.07 3hbw s LYS 1072N -3.85 3.20 -0.26 7.08 1.02 -0.78 -0.77 119.74 125.37 3hbw s LYS 1072Ca 0.07 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.23 3hbw s LYS 1072Cb -0.00 -2.76 0.07 0.00 -0.52 0.00 0.00 37.83 34.62 3hbw s LYS 1072CO -0.05 0.44 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.28 3hbw s LEU 1073N -3.70 2.91 -0.37 3.17 1.43 -1.26 -0.94 118.68 119.92 3hbw s LEU 1073Ca 0.33 -1.39 -0.20 0.00 -1.03 0.00 0.00 54.13 51.84 3hbw s LEU 1073Cb -0.09 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3hbw s LEU 1073CO 0.27 -0.28 0.60 -0.47 0.23 0.00 0.00 176.35 176.71 3hbw s TYR 1074N 1.33 3.14 0.31 0.29 5.04 -0.70 -0.91 117.35 125.85 3hbw s TYR 1074Ca -0.02 0.22 -0.29 0.00 -2.44 0.00 0.00 57.07 54.54 3hbw s TYR 1074Cb -0.19 -3.12 -0.10 0.00 0.35 0.00 0.00 41.96 38.90 3hbw s TYR 1074CO -0.09 -0.65 1.31 0.45 -1.34 0.00 0.00 175.55 175.23 3hbw s SER 1075N 1.83 6.79 0.40 4.32 0.15 0.11 0.05 113.70 127.35 3hbw s SER 1075Ca 0.22 2.65 0.27 0.00 0.70 0.00 0.00 55.95 59.79 3hbw s SER 1075Cb -0.15 -2.64 1.44 0.00 -1.71 0.00 0.00 66.02 62.97 3hbw s SER 1075CO 0.15 -0.54 1.81 -0.09 1.20 0.00 0.00 173.24 175.77 3hbw h ARG 1076N 3.74 0.00 0.00 5.44 2.43 -1.05 0.54 114.38 125.48 3hbw h ARG 1076Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hbw h ARG 1076Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3hbw h ARG 1076CO 0.68 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 180.18 3hbw n GLN 1077N -2.44 0.83 -0.15 0.20 1.13 -1.26 -4.90 117.38 110.79 3hbw n GLN 1077Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3hbw n GLN 1077Cb 0.06 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.91 3hbw n GLN 1077CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hbw n GLY 1078N 1.05 0.83 3.28 1.08 0.00 0.18 -4.88 105.19 106.73 3hbw n GLY 1078Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3hbw n GLY 1078CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbw s TYR 1079N -2.09 1.99 -0.06 1.61 2.02 -1.23 -4.87 117.35 114.72 3hbw s TYR 1079Ca 0.00 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.10 3hbw s TYR 1079Cb 0.00 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 3hbw s TYR 1079CO 0.00 0.10 0.64 -1.01 -1.57 0.00 0.00 175.55 173.71 3hbw s HIS 1080N -0.79 3.58 0.41 2.71 3.76 -0.32 0.07 115.29 124.71 3hbw s HIS 1080Ca 0.09 1.17 -0.27 0.00 -0.15 0.00 0.00 55.06 55.90 3hbw s HIS 1080Cb -0.09 -2.72 -0.09 0.00 1.11 0.00 0.00 32.58 30.79 3hbw s HIS 1080CO 0.02 0.15 1.44 -1.17 -0.85 0.00 0.00 174.74 174.33 3hbw s LEU 1081N 0.58 4.22 0.00 0.89 2.96 -0.09 -0.82 118.68 126.42 3hbw s LEU 1081Ca 0.34 2.95 -0.00 0.00 -0.22 0.00 0.00 54.13 57.20 3hbw s LEU 1081Cb -0.17 -3.81 -0.00 0.00 0.50 0.00 0.00 46.19 42.70 3hbw s LEU 1081CO 0.16 -1.00 -0.00 -1.58 -1.32 0.00 0.00 176.35 172.61 3hbw s GLN 1082N -2.26 0.04 -0.34 1.98 0.74 0.20 -4.44 119.66 115.58 3hbw s GLN 1082Ca 0.57 -0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.93 3hbw s GLN 1082Cb -0.44 0.01 0.10 0.00 1.10 0.00 0.00 33.01 33.78 3hbw s GLN 1082CO 0.59 -0.01 0.09 -1.17 -0.55 0.00 0.00 175.29 174.24 3hbw s LEU 1083N -0.16 3.51 0.59 3.68 2.96 -0.64 -1.91 118.68 126.71 3hbw s LEU 1083Ca -0.02 -1.99 -0.14 0.00 -0.22 0.00 0.00 54.13 51.76 3hbw s LEU 1083Cb -0.01 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 3hbw s LEU 1083CO -0.00 -0.38 1.03 -1.10 -1.32 0.00 0.00 176.35 174.57 3hbw s GLN 1084N 1.14 3.53 0.58 1.98 -0.21 -0.71 -4.80 119.66 121.16 3hbw s GLN 1084Ca 0.11 0.99 0.31 0.00 0.02 0.00 0.00 55.36 56.79 3hbw s GLN 1084Cb -0.19 -2.07 1.40 0.00 1.00 0.00 0.00 33.01 33.16 3hbw s GLN 1084CO -0.15 -0.63 1.77 0.00 -2.12 0.00 0.00 175.29 174.17 3hbw h ALA 1085N 0.27 2.57 -0.18 6.09 0.00 -1.97 0.37 119.26 126.41 3hbw h ALA 1085Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hbw h ALA 1085Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hbw h ALA 1085CO 0.60 -1.09 0.00 -0.40 0.00 0.00 0.00 179.25 178.35 3hbw n ASP 1086N -3.76 1.61 0.00 0.00 5.68 -1.26 -4.91 116.55 113.90 3hbw n ASP 1086Ca 0.15 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 3hbw n ASP 1086Cb 0.97 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 3hbw n ASP 1086CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbw n GLY 1087N 1.11 0.81 3.76 6.12 0.00 0.13 -5.05 105.19 112.07 3hbw n GLY 1087Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3hbw n GLY 1087CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hbw s THR 1088N -2.87 3.47 -0.16 2.61 -1.32 -1.25 -4.47 115.64 111.65 3hbw s THR 1088Ca 0.00 1.45 0.00 0.00 -1.21 0.00 0.00 61.69 61.94 3hbw s THR 1088Cb 0.00 -3.93 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 3hbw s THR 1088CO 0.00 0.33 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.95 3hbw s ILE 1089N -1.03 2.58 0.02 5.08 1.01 -1.26 -1.75 121.20 125.85 3hbw s ILE 1089Ca 0.45 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3hbw s ILE 1089Cb -0.32 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3hbw s ILE 1089CO 0.41 0.52 0.07 -0.90 0.00 0.00 0.00 174.94 175.04 3hbw n ASP 1090N 4.14 -0.16 -4.53 3.58 5.75 -0.80 -4.29 116.55 120.23 3hbw n ASP 1090Ca -0.19 -1.10 -0.31 0.00 -0.01 0.00 0.00 54.79 53.17 3hbw n ASP 1090Cb 0.52 0.27 -0.11 0.00 -1.03 0.00 0.00 41.12 40.76 3hbw n ASP 1090CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hbw s GLY 1091N -1.50 1.68 0.08 6.12 0.00 0.39 0.61 107.32 114.70 3hbw s GLY 1091Ca 0.01 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3hbw s GLY 1091CO 0.01 -0.99 -0.05 -1.08 0.00 0.00 0.00 173.10 170.98 3hbw s THR 1092N -0.98 0.52 -2.07 0.90 -1.32 -0.00 -4.85 115.64 107.85 3hbw s THR 1092Ca 0.16 -1.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.04 3hbw s THR 1092Cb -0.11 -1.54 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 3hbw s THR 1092CO 0.07 -0.88 1.10 0.29 -2.21 0.00 0.00 174.62 173.00 3hbw n LYS 1093N 0.12 1.24 -1.73 7.08 5.02 -1.26 -1.18 118.16 127.46 3hbw n LYS 1093Ca -0.14 -1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 54.71 3hbw n LYS 1093Cb 0.60 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3hbw n LYS 1093CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hbw n ASP 1094N 0.02 3.84 -0.33 4.39 2.03 -1.26 -4.72 116.55 120.52 3hbw n ASP 1094Ca 0.09 -2.84 0.21 0.00 0.52 0.00 0.00 54.79 52.78 3hbw n ASP 1094Cb 0.47 -1.64 0.43 0.00 -0.72 0.00 0.00 41.12 39.66 3hbw n ASP 1094CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hbw h GLU 1095N 6.15 0.32 0.00 -0.67 4.11 -1.99 0.59 114.58 123.09 3hbw h GLU 1095Ca 0.56 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.97 3hbw h GLU 1095Cb 0.65 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3hbw h GLU 1095CO 1.88 0.21 0.00 -0.40 0.07 0.00 0.00 179.01 180.77 3hbw n ASP 1096N -5.07 0.00 -4.74 3.06 5.68 -1.26 -4.80 116.55 109.42 3hbw n ASP 1096Ca 0.29 -0.22 -0.42 0.00 -0.50 0.00 0.00 54.79 53.95 3hbw n ASP 1096Cb 0.90 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.74 3hbw n ASP 1096CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3hbw s SER 1097N -2.22 6.64 0.24 -1.12 0.15 0.20 -4.88 113.70 112.72 3hbw s SER 1097Ca 0.17 2.64 0.24 0.00 0.70 0.00 0.00 55.95 59.70 3hbw s SER 1097Cb 0.09 -2.61 0.95 0.00 -1.71 0.00 0.00 66.02 62.74 3hbw s SER 1097CO 0.17 -0.73 1.71 0.35 1.20 0.00 0.00 173.24 175.94 3hbw n THR 1098N 2.83 0.80 1.66 6.45 -2.24 -1.26 -2.63 114.28 119.89 3hbw n THR 1098Ca 0.09 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 3hbw n THR 1098Cb 0.40 -1.08 0.47 0.00 -2.10 0.00 0.00 70.33 68.01 3hbw n THR 1098CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hbw n TYR 1099N -2.21 0.09 0.86 4.78 4.01 -1.26 -3.31 117.16 120.12 3hbw n TYR 1099Ca 0.03 -0.05 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 3hbw n TYR 1099Cb 0.25 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 3hbw n TYR 1099CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hbw n THR 1100N -0.30 0.06 -3.13 -0.72 -2.24 -1.08 -1.63 114.28 105.24 3hbw n THR 1100Ca 0.15 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 3hbw n THR 1100Cb 0.18 1.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 3hbw n THR 1100CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hbw s LEU 1101N -1.82 4.26 0.10 3.22 1.43 -1.21 -4.25 118.68 120.41 3hbw s LEU 1101Ca 0.28 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 3hbw s LEU 1101Cb 0.19 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3hbw s LEU 1101CO 0.28 -0.13 -0.16 -0.36 0.23 0.00 0.00 176.35 176.21 3hbw s PHE 1102N 1.05 1.48 -0.29 0.29 0.40 0.05 -0.96 117.98 120.01 3hbw s PHE 1102Ca 0.32 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3hbw s PHE 1102Cb -0.16 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 3hbw s PHE 1102CO 0.14 0.15 0.24 -0.80 0.70 0.00 0.00 175.22 175.65 3hbw s ASN 1103N -2.11 6.08 -0.56 1.36 0.01 0.19 -0.89 114.94 119.02 3hbw s ASN 1103Ca 0.05 0.01 -0.12 0.00 -0.71 0.00 0.00 52.86 52.10 3hbw s ASN 1103Cb -0.08 -2.14 0.14 0.00 0.41 0.00 0.00 41.25 39.58 3hbw s ASN 1103CO 0.03 -0.10 0.47 -0.76 -1.51 0.00 0.00 177.10 175.23 3hbw s LEU 1104N 1.83 6.00 -0.27 0.60 1.02 -0.09 -1.46 118.68 126.32 3hbw s LEU 1104Ca 0.09 -2.07 -0.10 0.00 0.02 0.00 0.00 54.13 52.06 3hbw s LEU 1104Cb -0.16 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 3hbw s LEU 1104CO 0.11 -0.70 0.15 -0.63 0.02 0.00 0.00 176.35 175.30 3hbw s ILE 1105N 1.13 5.06 0.10 -0.59 1.01 -0.74 -2.37 121.20 124.80 3hbw s ILE 1105Ca 0.08 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 3hbw s ILE 1105Cb -0.24 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 3hbw s ILE 1105CO -0.01 0.29 1.45 -2.84 0.00 0.00 0.00 174.94 173.83 3hbw s PRO 1106N 1.61 4.28 -0.09 2.79 0.02 -1.26 -0.85 135.00 141.51 3hbw s PRO 1106Ca 0.07 2.14 0.13 0.00 0.02 0.00 0.00 61.00 63.36 3hbw s PRO 1106Cb -0.15 -3.32 0.26 0.00 0.02 0.00 0.00 34.50 31.31 3hbw s PRO 1106CO 0.08 -0.52 1.13 1.33 -0.33 0.00 0.00 177.00 178.69 3hbw n VAL 1107N 4.15 1.09 0.00 3.83 0.24 -0.08 -4.92 118.33 122.64 3hbw n VAL 1107Ca 0.13 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.80 3hbw n VAL 1107Cb 0.42 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3hbw n VAL 1107CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbw n GLY 1108N -0.61 -0.15 3.58 7.63 0.00 -1.16 -4.91 105.19 109.56 3hbw n GLY 1108Ca 0.10 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 3hbw n GLY 1108CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbw s LEU 1109N 0.00 3.42 -1.53 0.99 1.43 -1.26 -2.28 118.68 119.45 3hbw s LEU 1109Ca 0.00 0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 54.05 3hbw s LEU 1109Cb 0.00 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.17 3hbw s LEU 1109CO 0.00 -2.09 0.47 0.54 0.23 0.00 0.00 176.35 175.50 3hbw n ARG 1110N 8.77 -4.08 -4.89 1.70 5.12 -1.26 -4.92 116.66 117.09 3hbw n ARG 1110Ca 0.24 0.85 -0.31 0.00 -1.93 0.00 0.00 57.85 56.70 3hbw n ARG 1110Cb 0.49 -5.65 -0.17 0.00 -1.16 0.00 0.00 32.46 25.98 3hbw n ARG 1110CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hbw s VAL 1111N -3.09 1.86 0.19 1.55 1.01 -0.97 -0.34 120.40 120.62 3hbw s VAL 1111Ca 0.26 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3hbw s VAL 1111Cb -0.12 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3hbw s VAL 1111CO 0.32 0.51 -0.08 0.68 0.00 0.00 0.00 175.10 176.53 3hbw s VAL 1112N 0.59 1.30 -0.07 2.92 -7.23 0.15 -0.90 120.40 117.17 3hbw s VAL 1112Ca -0.14 -2.09 -0.01 0.00 -1.81 0.00 0.00 61.98 57.93 3hbw s VAL 1112Cb -0.17 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 3hbw s VAL 1112CO 0.04 -0.57 -0.01 0.00 -0.31 0.00 0.00 175.10 174.25 3hbw s ALA 1113N -3.24 3.24 -0.34 1.32 0.00 -0.03 -1.14 121.76 121.57 3hbw s ALA 1113Ca 0.22 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3hbw s ALA 1113Cb 0.03 -1.43 0.08 0.00 0.00 0.00 0.00 23.12 21.80 3hbw s ALA 1113CO 0.05 0.59 0.06 0.42 0.00 0.00 0.00 175.76 176.88 3hbw s ILE 1114N -0.90 2.72 -0.12 0.00 1.01 -1.26 -1.79 121.20 120.87 3hbw s ILE 1114Ca 0.14 -1.91 0.01 0.00 0.00 0.00 0.00 60.65 58.89 3hbw s ILE 1114Cb -0.11 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3hbw s ILE 1114CO 0.03 -0.41 -0.14 -1.58 0.00 0.00 0.00 174.94 172.83 3hbw s GLN 1115N 1.09 3.24 0.04 2.79 0.74 -0.53 -0.91 119.66 126.12 3hbw s GLN 1115Ca 0.03 -0.71 -0.31 0.00 0.05 0.00 0.00 55.36 54.43 3hbw s GLN 1115Cb -0.20 -2.56 -0.07 0.00 1.10 0.00 0.00 33.01 31.27 3hbw s GLN 1115CO -0.05 0.26 1.52 0.20 -0.55 0.00 0.00 175.29 176.67 3hbw s GLY 1116N 0.21 1.72 0.14 2.59 0.00 0.34 0.55 107.32 112.87 3hbw s GLY 1116Ca -0.09 1.06 -0.17 0.00 0.00 0.00 0.00 44.72 45.51 3hbw s GLY 1116CO 0.05 2.67 1.77 -2.08 0.00 0.00 0.00 173.10 175.52 3hbw h VAL 1117N 4.79 1.11 -0.43 1.40 2.07 -1.38 0.39 116.25 124.20 3hbw h VAL 1117Ca -0.40 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.73 3hbw h VAL 1117Cb 1.19 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3hbw h VAL 1117CO 0.91 0.11 -0.30 -0.61 0.02 0.00 0.00 177.57 177.70 3hbw h GLN 1118N 0.44 0.94 0.00 1.57 5.75 -1.79 -3.30 115.11 118.71 3hbw h GLN 1118Ca 0.12 -0.45 -0.01 0.00 -0.15 0.00 0.00 58.65 58.16 3hbw h GLN 1118Cb -0.01 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 3hbw h GLN 1118CO -0.02 1.11 -1.55 0.25 -2.65 0.00 0.00 178.83 175.97 3hbw n THR 1119N -4.08 0.34 -0.91 2.39 -2.24 -1.21 -4.97 114.28 103.60 3hbw n THR 1119Ca -0.01 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3hbw n THR 1119Cb 0.50 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3hbw n THR 1119CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hbw n LYS 1120N -2.48 -0.54 -2.98 -0.78 4.76 0.14 -4.99 118.16 111.29 3hbw n LYS 1120Ca -0.03 0.13 -0.36 0.00 -2.87 0.00 0.00 58.31 55.18 3hbw n LYS 1120Cb 0.58 -3.71 -0.06 0.00 -1.84 0.00 0.00 35.03 30.00 3hbw n LYS 1120CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hbw s LEU 1121N 0.00 4.31 0.03 -0.35 1.43 -1.24 -4.76 118.68 118.10 3hbw s LEU 1121Ca 0.00 1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 3hbw s LEU 1121Cb 0.00 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3hbw s LEU 1121CO 0.00 -0.03 0.35 -0.31 0.23 0.00 0.00 176.35 176.59 3hbw s TYR 1122N -1.60 3.61 0.38 0.29 1.51 0.47 -0.51 117.35 121.51 3hbw s TYR 1122Ca 0.47 0.76 -0.22 0.00 -1.01 0.00 0.00 57.07 57.06 3hbw s TYR 1122Cb -0.17 -2.13 -0.10 0.00 -0.11 0.00 0.00 41.96 39.45 3hbw s TYR 1122CO 0.21 0.58 0.93 -0.51 -1.11 0.00 0.00 175.55 175.66 3hbw s LEU 1123N -1.64 4.09 0.13 -1.29 1.43 -0.08 -0.13 118.68 121.18 3hbw s LEU 1123Ca 0.28 1.72 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 3hbw s LEU 1123Cb -0.14 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.79 3hbw s LEU 1123CO 0.16 -0.24 0.39 0.00 0.23 0.00 0.00 176.35 176.88 3hbw s ALA 1124N -1.96 -0.88 -0.08 4.21 0.00 0.14 -4.47 121.76 118.72 3hbw s ALA 1124Ca 0.57 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3hbw s ALA 1124Cb -0.12 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3hbw s ALA 1124CO 0.17 -0.64 -0.10 1.41 0.00 0.00 0.00 175.76 176.60 3hbw s MET 1125N -3.81 1.54 0.84 0.00 1.75 -0.76 -0.30 119.30 118.55 3hbw s MET 1125Ca 0.03 -0.32 -0.07 0.00 -1.25 0.00 0.00 55.69 54.08 3hbw s MET 1125Cb 0.02 -1.41 0.17 0.00 2.84 0.00 0.00 34.83 36.46 3hbw s MET 1125CO -0.11 -0.09 1.15 0.54 -0.65 0.00 0.00 175.02 175.86 3hbw s ASN 1126N 1.06 3.70 0.28 1.11 2.20 -0.30 -4.79 114.94 118.21 3hbw s ASN 1126Ca -0.07 -0.20 0.21 0.00 -0.94 0.00 0.00 52.86 51.85 3hbw s ASN 1126Cb -0.15 0.03 1.05 0.00 -2.00 0.00 0.00 41.25 40.18 3hbw s ASN 1126CO -0.01 -2.31 1.64 -1.54 -2.94 0.00 0.00 177.10 171.94 3hbw n SER 1127N -3.26 0.55 -0.77 3.54 3.41 -1.26 -0.85 113.62 114.98 3hbw n SER 1127Ca 0.16 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.62 3hbw n SER 1127Cb 0.60 -0.80 0.24 0.00 -0.26 0.00 0.00 64.21 63.98 3hbw n SER 1127CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hbw n GLU 1128N -2.20 2.03 -0.43 4.33 1.02 -1.26 -4.95 120.64 119.18 3hbw n GLU 1128Ca -0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3hbw n GLU 1128Cb 0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3hbw n GLU 1128CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hbw n GLY 1129N 1.30 0.72 3.77 0.62 0.00 -0.03 -4.88 105.19 106.69 3hbw n GLY 1129Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3hbw n GLY 1129CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbw s TYR 1130N -2.74 3.88 0.04 1.61 1.51 -1.26 0.01 117.35 120.40 3hbw s TYR 1130Ca 0.00 1.71 -0.18 0.00 -1.01 0.00 0.00 57.07 57.59 3hbw s TYR 1130Cb 0.00 -2.83 -0.06 0.00 -0.11 0.00 0.00 41.96 38.96 3hbw s TYR 1130CO 0.00 0.45 0.53 -0.51 -1.11 0.00 0.00 175.55 174.90 3hbw s LEU 1131N -1.34 4.49 0.26 -1.29 1.02 -1.26 -1.15 118.68 119.41 3hbw s LEU 1131Ca 0.40 1.16 -0.09 0.00 0.02 0.00 0.00 54.13 55.61 3hbw s LEU 1131Cb -0.23 -2.81 -0.01 0.00 0.02 0.00 0.00 46.19 43.16 3hbw s LEU 1131CO 0.27 0.26 0.44 -0.72 0.02 0.00 0.00 176.35 176.62 3hbw s TYR 1132N -0.93 0.59 -0.10 0.29 -0.85 0.59 -4.98 117.35 111.96 3hbw s TYR 1132Ca 0.28 -0.92 -0.04 0.00 -0.52 0.00 0.00 57.07 55.87 3hbw s TYR 1132Cb -0.18 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 3hbw s TYR 1132CO 0.17 -0.99 0.06 0.95 -1.52 0.00 0.00 175.55 174.22 3hbw s THR 1133N -3.81 4.82 -0.04 -3.49 -4.23 -1.26 -0.68 115.64 106.94 3hbw s THR 1133Ca 0.26 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.77 3hbw s THR 1133Cb 0.00 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 3hbw s THR 1133CO 0.12 0.61 -0.19 -0.55 -0.54 0.00 0.00 174.62 174.06 3hbw s SER 1134N -0.93 2.40 0.09 3.99 0.15 0.81 -4.92 113.70 115.28 3hbw s SER 1134Ca 0.14 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.30 3hbw s SER 1134Cb -0.12 -0.62 -0.19 0.00 -1.71 0.00 0.00 66.02 63.38 3hbw s SER 1134CO 0.03 0.18 1.22 -0.33 1.20 0.00 0.00 173.24 175.54 3hbw h GLU 1135N 6.14 0.56 -5.91 5.44 5.08 -1.91 0.14 114.58 124.12 3hbw h GLU 1135Ca -0.33 -0.64 -0.62 0.00 -1.00 0.00 0.00 59.36 56.77 3hbw h GLU 1135Cb 1.17 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 3hbw h GLU 1135CO 0.48 1.25 -0.49 -0.51 -1.00 0.00 0.00 179.01 178.74 3hbw s LEU 1136N -7.89 4.36 -0.28 1.33 1.43 -1.26 -4.77 118.68 111.61 3hbw s LEU 1136Ca -0.08 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 3hbw s LEU 1136Cb 0.07 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.37 3hbw s LEU 1136CO 0.90 0.18 0.93 0.12 0.23 0.00 0.00 176.35 178.71 3hbw s PHE 1137N -1.49 3.25 0.41 0.29 5.36 -1.26 -4.89 117.98 119.64 3hbw s PHE 1137Ca 0.34 1.15 0.04 0.00 -0.96 0.00 0.00 56.93 57.50 3hbw s PHE 1137Cb -0.13 -3.31 -0.02 0.00 -0.34 0.00 0.00 43.02 39.22 3hbw s PHE 1137CO 0.27 -0.56 0.14 0.95 -1.46 0.00 0.00 175.22 174.56 3hbw s THR 1138N 3.16 0.55 0.52 0.12 -4.23 -1.26 -0.76 115.64 113.75 3hbw s THR 1138Ca 0.39 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.09 3hbw s THR 1138Cb -0.14 -2.35 0.31 0.00 1.34 0.00 0.00 72.50 71.66 3hbw s THR 1138CO 0.10 0.00 2.09 -0.65 -0.54 0.00 0.00 174.62 175.63 3hbw h PRO 1139N 1.80 0.00 0.00 3.99 0.11 -1.94 -0.09 132.00 135.89 3hbw h PRO 1139Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hbw h PRO 1139Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hbw h PRO 1139CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 3hbw n GLU 1140N -4.48 0.78 0.00 1.05 1.02 -1.26 -2.75 120.64 115.00 3hbw n GLU 1140Ca 0.02 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 3hbw n GLU 1140Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 3hbw n GLU 1140CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hbw s LYS 1142N -2.50 4.42 -0.09 0.00 1.02 -1.11 -4.31 119.74 117.18 3hbw s LYS 1142Ca 0.19 0.81 0.02 0.00 0.02 0.00 0.00 55.97 57.01 3hbw s LYS 1142Cb 0.18 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3hbw s LYS 1142CO 0.57 0.09 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.88 3hbw s PHE 1143N 0.73 1.85 -0.01 3.18 0.08 -0.30 -3.40 117.98 120.12 3hbw s PHE 1143Ca 0.35 -0.77 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 3hbw s PHE 1143Cb -0.17 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 3hbw s PHE 1143CO 0.17 -0.37 1.10 0.21 -0.10 0.00 0.00 175.22 176.23 3hbw s LYS 1144N 0.71 4.45 -0.21 0.44 2.20 0.50 -0.67 119.74 127.17 3hbw s LYS 1144Ca -0.13 1.59 -0.14 0.00 -0.36 0.00 0.00 55.97 56.93 3hbw s LYS 1144Cb -0.16 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3hbw s LYS 1144CO 0.03 -0.25 0.29 -2.00 -0.36 0.00 0.00 175.35 173.07 3hbw s GLU 1145N 1.46 4.15 -0.04 4.03 2.12 0.54 -1.58 118.70 129.38 3hbw s GLU 1145Ca 0.54 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.91 3hbw s GLU 1145Cb -0.24 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.64 3hbw s GLU 1145CO 0.25 0.05 -0.10 -1.12 -0.54 0.00 0.00 175.26 173.80 3hbw s SER 1146N 0.94 1.42 0.20 -1.70 0.01 -0.12 -4.88 113.70 109.58 3hbw s SER 1146Ca 0.14 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 3hbw s SER 1146Cb -0.14 -0.53 -0.08 0.00 0.21 0.00 0.00 66.02 65.48 3hbw s SER 1146CO 0.06 0.04 0.97 0.68 0.41 0.00 0.00 173.24 175.40 3hbw s VAL 1147N 0.47 4.13 -0.06 3.43 -7.23 -1.26 0.59 120.40 120.47 3hbw s VAL 1147Ca -0.09 2.00 0.01 0.00 -1.81 0.00 0.00 61.98 62.09 3hbw s VAL 1147Cb -0.12 -4.27 0.02 0.00 0.56 0.00 0.00 36.38 32.56 3hbw s VAL 1147CO 0.02 0.42 -0.07 0.12 -0.31 0.00 0.00 175.10 175.28 3hbw s PHE 1148N -0.77 1.01 -1.49 2.82 5.36 0.21 -4.83 117.98 120.28 3hbw s PHE 1148Ca 0.44 -0.34 -0.08 0.00 -0.96 0.00 0.00 56.93 55.99 3hbw s PHE 1148Cb -0.26 -0.83 0.06 0.00 -0.34 0.00 0.00 43.02 41.65 3hbw s PHE 1148CO 0.32 -0.24 0.71 0.39 -1.46 0.00 0.00 175.22 174.94 3hbw n GLU 1149N 4.08 -4.22 0.00 10.12 1.02 -1.26 -1.51 120.64 128.87 3hbw n GLU 1149Ca -0.23 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3hbw n GLU 1149Cb 0.51 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.88 3hbw n GLU 1149CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hbw n ASN 1150N -2.88 0.00 -0.02 1.62 4.13 -1.26 -4.25 115.26 112.60 3hbw n ASN 1150Ca -0.12 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.23 3hbw n ASN 1150Cb 0.60 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.67 3hbw n ASN 1150CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3hbw n TYR 1151N 0.00 0.00 -3.42 3.10 4.02 -1.23 -5.00 117.16 114.63 3hbw n TYR 1151Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 3hbw n TYR 1151Cb 0.00 -0.53 -0.00 0.00 -0.02 0.00 0.00 39.34 38.78 3hbw n TYR 1151CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hbw s TYR 1152N -3.43 3.30 0.05 -0.72 2.02 -0.57 -4.57 117.35 113.43 3hbw s TYR 1152Ca -0.08 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3hbw s TYR 1152Cb 0.13 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3hbw s TYR 1152CO 0.90 0.02 -0.09 0.14 -1.57 0.00 0.00 175.55 174.94 3hbw s VAL 1153N -2.27 0.67 0.17 0.71 -7.23 -0.29 0.63 120.40 112.79 3hbw s VAL 1153Ca 0.42 -1.13 0.10 0.00 -1.81 0.00 0.00 61.98 59.57 3hbw s VAL 1153Cb -0.10 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 3hbw s VAL 1153CO 0.34 -0.34 -0.21 0.42 -0.31 0.00 0.00 175.10 174.99 3hbw s THR 1154N -1.35 2.03 -0.10 5.32 -4.23 0.20 -1.71 115.64 115.80 3hbw s THR 1154Ca -0.08 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3hbw s THR 1154Cb -0.10 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.83 3hbw s THR 1154CO 0.01 -0.20 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.48 3hbw s TYR 1155N -1.79 1.53 0.14 3.99 2.02 -1.26 -0.94 117.35 121.05 3hbw s TYR 1155Ca 0.17 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 3hbw s TYR 1155Cb -0.07 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3hbw s TYR 1155CO 0.08 -0.44 -0.13 -1.54 -1.57 0.00 0.00 175.55 171.94 3hbw s SER 1156N 1.32 2.07 0.45 2.29 1.04 -0.61 -1.08 113.70 119.17 3hbw s SER 1156Ca -0.02 -0.89 -0.25 0.00 0.48 0.00 0.00 55.95 55.26 3hbw s SER 1156Cb -0.14 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.83 3hbw s SER 1156CO -0.04 -0.19 1.38 -0.55 0.98 0.00 0.00 173.24 174.82 3hbw s SER 1157N -2.77 5.95 0.13 7.02 0.15 -0.34 -0.37 113.70 123.47 3hbw s SER 1157Ca 0.13 2.83 0.23 0.00 0.70 0.00 0.00 55.95 59.84 3hbw s SER 1157Cb -0.02 -2.65 0.15 0.00 -1.71 0.00 0.00 66.02 61.79 3hbw s SER 1157CO 0.03 -1.11 1.15 0.23 1.20 0.00 0.00 173.24 174.74 3hbw n MET 1158N -0.17 0.41 -0.00 5.44 2.81 -1.22 -4.45 117.12 119.94 3hbw n MET 1158Ca 0.05 0.08 0.02 0.00 -1.81 0.00 0.00 57.70 56.03 3hbw n MET 1158Cb 0.43 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 3hbw n MET 1158CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3hbw n ILE 1159N -2.28 0.00 -4.69 2.02 -5.35 -1.26 -5.04 119.36 102.75 3hbw n ILE 1159Ca 0.02 -0.08 -0.31 0.00 -0.27 0.00 0.00 62.75 62.11 3hbw n ILE 1159Cb 0.48 0.43 -0.13 0.00 -1.74 0.00 0.00 39.64 38.69 3hbw n ILE 1159CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3hbw s TYR 1160N -2.21 2.60 0.17 4.28 2.02 -1.26 -5.12 117.35 117.83 3hbw s TYR 1160Ca -0.01 -0.23 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 3hbw s TYR 1160Cb 0.02 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 40.14 3hbw s TYR 1160CO 0.13 0.24 0.94 -0.98 -1.57 0.00 0.00 175.55 174.32 3hbw s ARG 1161N -1.31 1.28 0.11 -0.62 1.70 -1.26 -3.97 118.95 114.88 3hbw s ARG 1161Ca 0.14 -0.72 -0.31 0.00 -0.47 0.00 0.00 55.73 54.37 3hbw s ARG 1161Cb -0.11 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 3hbw s ARG 1161CO 0.05 -0.59 1.61 -0.65 -1.08 0.00 0.00 175.30 174.64 3hbw s GLN 1162N -3.22 4.21 0.56 3.89 -1.52 0.50 -4.90 119.66 119.17 3hbw s GLN 1162Ca 0.13 2.34 0.35 0.00 -1.95 0.00 0.00 55.36 56.23 3hbw s GLN 1162Cb -0.02 -3.39 1.57 0.00 -0.22 0.00 0.00 33.01 30.95 3hbw s GLN 1162CO 0.03 -0.67 2.05 -0.56 -0.25 0.00 0.00 175.29 175.89 3hbw h GLN 1163N 7.61 0.00 0.00 2.91 3.07 -1.96 0.65 115.11 127.39 3hbw h GLN 1163Ca -0.43 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.10 3hbw h GLN 1163Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.73 3hbw h GLN 1163CO 0.92 0.00 -1.29 0.00 0.09 0.00 0.00 178.83 178.55 3hbw n GLN 1164N -3.04 0.55 -0.01 0.06 10.64 -1.26 -4.65 117.38 119.66 3hbw n GLN 1164Ca -0.00 0.52 0.08 0.00 -1.83 0.00 0.00 57.00 55.77 3hbw n GLN 1164Cb 0.25 -1.70 -0.15 0.00 -0.86 0.00 0.00 30.24 27.79 3hbw n GLN 1164CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3hbw n SER 1165N -4.44 0.10 0.00 2.61 3.41 -1.25 -4.96 113.62 109.08 3hbw n SER 1165Ca -0.30 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3hbw n SER 1165Cb 0.63 1.71 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 3hbw n SER 1165CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbw n GLY 1166N 1.31 0.72 3.72 5.00 0.00 0.22 -5.00 105.19 111.16 3hbw n GLY 1166Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3hbw n GLY 1166CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hbw s ARG 1167N -0.33 4.14 0.91 1.61 3.52 -1.26 -4.56 118.95 122.98 3hbw s ARG 1167Ca 0.00 2.56 -0.12 0.00 -0.13 0.00 0.00 55.73 58.05 3hbw s ARG 1167Cb 0.00 -3.08 0.14 0.00 -1.56 0.00 0.00 34.95 30.44 3hbw s ARG 1167CO 0.00 -0.71 1.09 0.20 -0.81 0.00 0.00 175.30 175.07 3hbw s GLY 1168N 1.09 1.62 -0.16 8.12 0.00 -1.26 -0.37 107.32 116.36 3hbw s GLY 1168Ca 0.73 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 45.35 3hbw s GLY 1168CO 0.34 0.45 -0.01 -0.98 0.00 0.00 0.00 173.10 172.89 3hbw s TRP 1169N -2.91 3.08 0.23 1.90 0.52 -1.25 -4.78 118.94 115.74 3hbw s TRP 1169Ca 0.64 -0.21 0.10 0.00 0.02 0.00 0.00 56.10 56.65 3hbw s TRP 1169Cb -0.18 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3hbw s TRP 1169CO 0.57 0.01 -0.19 0.71 0.02 0.00 0.00 176.95 178.07 3hbw s TYR 1170N 0.37 2.09 0.07 -1.98 1.51 -0.60 -1.20 117.35 117.61 3hbw s TYR 1170Ca -0.02 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 3hbw s TYR 1170Cb -0.14 -0.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 3hbw s TYR 1170CO 0.02 0.55 1.13 -1.17 -1.11 0.00 0.00 175.55 174.97 3hbw s LEU 1171N -3.23 4.39 0.05 -1.29 2.96 -0.24 -4.07 118.68 117.26 3hbw s LEU 1171Ca 0.25 1.95 -0.26 0.00 -0.22 0.00 0.00 54.13 55.85 3hbw s LEU 1171Cb -0.04 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.13 3hbw s LEU 1171CO 0.11 -0.38 0.61 -0.83 -1.32 0.00 0.00 176.35 174.54 3hbw s GLY 1172N 0.84 -0.56 -0.05 7.98 0.00 -1.26 -4.46 107.32 109.81 3hbw s GLY 1172Ca 0.56 0.83 0.05 0.00 0.00 0.00 0.00 44.72 46.16 3hbw s GLY 1172CO 0.30 0.50 -0.20 1.08 0.00 0.00 0.00 173.10 174.78 3hbw s LEU 1173N -1.97 1.98 0.00 0.66 1.43 -0.90 -1.41 118.68 118.47 3hbw s LEU 1173Ca -0.05 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3hbw s LEU 1173Cb -0.01 -1.12 0.15 0.00 0.03 0.00 0.00 46.19 45.25 3hbw s LEU 1173CO -0.02 0.19 0.78 -0.46 0.23 0.00 0.00 176.35 177.08 3hbw n ASN 1174N 3.03 -0.35 0.25 2.29 0.23 -0.28 -4.48 115.26 115.95 3hbw n ASN 1174Ca -0.18 -1.20 0.17 0.00 -0.53 0.00 0.00 54.58 52.84 3hbw n ASN 1174Cb 0.53 -0.62 0.80 0.00 -2.08 0.00 0.00 39.78 38.40 3hbw n ASN 1174CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3hbw h LYS 1175N 0.00 0.00 -0.18 -3.83 1.57 -1.90 -0.52 116.57 111.72 3hbw h LYS 1175Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3hbw h LYS 1175Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3hbw h LYS 1175CO 0.18 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.45 3hbw n GLU 1176N -2.77 2.04 -1.94 3.15 4.71 -1.26 -4.93 120.64 119.64 3hbw n GLU 1176Ca -0.01 -1.55 -0.06 0.00 -0.01 0.00 0.00 57.16 55.53 3hbw n GLU 1176Cb 0.17 -1.45 -0.01 0.00 -1.01 0.00 0.00 31.44 29.14 3hbw n GLU 1176CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hbw n GLY 1177N 1.28 0.25 3.77 0.62 0.00 -0.20 -4.92 105.19 105.99 3hbw n GLY 1177Ca 0.17 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3hbw n GLY 1177CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbw s GLU 1178N -3.98 3.13 0.29 1.61 2.02 -1.26 -0.46 118.70 120.05 3hbw s GLU 1178Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 3hbw s GLU 1178Cb 0.00 -2.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.20 3hbw s GLU 1178CO 0.00 0.71 1.41 -1.50 0.02 0.00 0.00 175.26 175.90 3hbw s ILE 1179N -1.01 2.60 0.31 -1.63 1.10 -1.26 -1.12 121.20 120.19 3hbw s ILE 1179Ca 0.17 0.54 0.07 0.00 -0.51 0.00 0.00 60.65 60.92 3hbw s ILE 1179Cb -0.12 -3.35 -0.03 0.00 0.15 0.00 0.00 42.46 39.12 3hbw s ILE 1179CO 0.06 0.10 0.25 -0.04 -2.11 0.00 0.00 174.94 173.20 3hbw s MET 1180N -0.97 2.74 0.22 3.50 -1.94 -0.50 -4.89 119.30 117.46 3hbw s MET 1180Ca 0.56 -1.25 -0.30 0.00 -1.71 0.00 0.00 55.69 52.98 3hbw s MET 1180Cb -0.42 -2.47 -0.08 0.00 2.01 0.00 0.00 34.83 33.87 3hbw s MET 1180CO 0.48 0.18 1.14 0.21 -0.01 0.00 0.00 175.02 177.02 3hbw s LYS 1181N -3.94 4.57 0.28 2.03 2.20 -1.26 -4.63 119.74 118.99 3hbw s LYS 1181Ca 0.38 1.81 0.03 0.00 -0.36 0.00 0.00 55.97 57.83 3hbw s LYS 1181Cb -0.06 -3.23 0.63 0.00 -1.51 0.00 0.00 37.83 33.66 3hbw s LYS 1181CO 0.26 0.05 1.78 0.78 -0.36 0.00 0.00 175.35 177.86 3hbw h GLY 1182N 4.71 1.61 1.47 5.54 0.00 -0.56 -0.81 103.07 115.02 3hbw h GLY 1182Ca -0.45 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3hbw h GLY 1182CO 0.71 -0.03 0.00 1.16 0.00 0.00 0.00 176.54 178.38 3hbw n ASN 1183N -4.79 0.00 -0.00 0.19 6.94 -1.26 -1.56 115.26 114.77 3hbw n ASN 1183Ca 0.20 -0.14 0.10 0.00 -0.02 0.00 0.00 54.58 54.72 3hbw n ASN 1183Cb 0.49 -0.23 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 3hbw n ASN 1183CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3hbw n HIS 1184N -1.23 0.00 -3.40 -2.53 8.25 -0.32 -4.90 115.22 111.09 3hbw n HIS 1184Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 3hbw n HIS 1184Cb 0.15 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 3hbw n HIS 1184CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hbw s VAL 1185N -3.05 5.17 0.02 1.59 1.01 -1.00 -5.00 120.40 119.14 3hbw s VAL 1185Ca 0.06 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 3hbw s VAL 1185Cb 0.16 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3hbw s VAL 1185CO 0.86 0.02 0.34 -0.54 0.00 0.00 0.00 175.10 175.79 3hbw s LYS 1186N 2.05 3.72 0.51 2.72 1.02 -1.26 -3.97 119.74 124.53 3hbw s LYS 1186Ca 0.13 0.14 0.20 0.00 0.02 0.00 0.00 55.97 56.46 3hbw s LYS 1186Cb -0.16 -3.09 1.30 0.00 -0.52 0.00 0.00 37.83 35.35 3hbw s LYS 1186CO 0.11 0.64 2.06 -0.22 -0.92 0.00 0.00 175.35 177.02 3hbw h LYS 1187N 4.14 0.05 -0.16 1.68 3.64 -1.97 -2.12 116.57 121.83 3hbw h LYS 1187Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3hbw h LYS 1187Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3hbw h LYS 1187CO 0.64 0.03 0.00 0.27 -2.27 0.00 0.00 179.45 178.13 3hbw n ASN 1188N -4.46 1.96 -4.89 4.20 6.94 -1.26 -4.84 115.26 112.92 3hbw n ASN 1188Ca 0.04 -1.73 -0.35 0.00 -0.02 0.00 0.00 54.58 52.53 3hbw n ASN 1188Cb 0.35 -0.10 -0.05 0.00 -2.36 0.00 0.00 39.78 37.61 3hbw n ASN 1188CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hbw s LYS 1189N -1.80 3.41 0.53 -3.83 1.02 -0.80 -4.99 119.74 113.29 3hbw s LYS 1189Ca 0.34 -0.26 0.32 0.00 0.02 0.00 0.00 55.97 56.39 3hbw s LYS 1189Cb 0.19 -3.12 1.49 0.00 -0.52 0.00 0.00 37.83 35.87 3hbw s LYS 1189CO 0.29 0.71 1.87 -1.35 -0.92 0.00 0.00 175.35 175.95 3hbw h PRO 1190N 4.29 0.02 -0.76 -1.68 0.11 -1.90 -0.76 132.00 131.32 3hbw h PRO 1190Ca -0.51 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.75 3hbw h PRO 1190Cb 1.20 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3hbw h PRO 1190CO 0.64 0.01 0.51 0.00 -0.21 0.00 0.00 178.00 178.95 3hbw h ALA 1191N 1.52 2.11 -0.00 -0.75 0.00 -1.88 -1.36 119.26 118.90 3hbw h ALA 1191Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3hbw h ALA 1191Cb 1.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hbw h ALA 1191CO -0.01 -0.32 -0.33 0.00 0.00 0.00 0.00 179.25 178.59 3hbw n ALA 1192N -2.52 3.20 -2.71 0.00 0.00 -0.29 -2.12 120.51 116.06 3hbw n ALA 1192Ca 0.15 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.86 3hbw n ALA 1192Cb 0.53 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 3hbw n ALA 1192CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hbw s HIS 1193N -2.75 3.49 -0.03 0.00 3.76 -0.51 -4.36 115.29 114.89 3hbw s HIS 1193Ca 0.18 0.88 0.04 0.00 -0.15 0.00 0.00 55.06 56.02 3hbw s HIS 1193Cb 0.19 -2.58 -0.01 0.00 1.11 0.00 0.00 32.58 31.29 3hbw s HIS 1193CO 0.59 0.13 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.40 3hbw s PHE 1194N 0.77 1.50 -0.42 1.40 0.40 -0.69 -0.64 117.98 120.30 3hbw s PHE 1194Ca 0.26 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 56.09 3hbw s PHE 1194Cb -0.15 -1.00 0.04 0.00 0.51 0.00 0.00 43.02 42.42 3hbw s PHE 1194CO 0.10 -0.10 0.30 -1.17 0.70 0.00 0.00 175.22 175.05 3hbw s LEU 1195N -0.11 5.17 0.24 -0.37 2.96 0.11 -1.13 118.68 125.54 3hbw s LEU 1195Ca 0.00 -1.10 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 3hbw s LEU 1195Cb -0.09 -2.12 -0.09 0.00 0.50 0.00 0.00 46.19 44.39 3hbw s LEU 1195CO 0.01 -0.50 1.33 -2.84 -1.32 0.00 0.00 176.35 173.03 3hbw s PRO 1196N 1.61 4.37 -0.61 0.98 0.02 -1.26 -1.71 135.00 138.39 3hbw s PRO 1196Ca 0.04 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.24 3hbw s PRO 1196Cb -0.21 -3.15 0.16 0.00 0.02 0.00 0.00 34.50 31.32 3hbw s PRO 1196CO 0.08 -0.26 0.40 0.15 -0.33 0.00 0.00 177.00 177.04 3hbw s LYS 1197N -0.59 2.13 0.49 5.54 1.02 -0.12 -4.94 119.74 123.27 3hbw s LYS 1197Ca 0.55 -2.96 -0.23 0.00 0.02 0.00 0.00 55.97 53.35 3hbw s LYS 1197Cb -0.38 -3.16 -0.07 0.00 -0.52 0.00 0.00 37.83 33.70 3hbw s LYS 1197CO 0.43 -1.24 1.19 -2.30 -0.92 0.00 0.00 175.35 172.50 3hbw n PRO 1198N 2.45 1.55 -0.09 -1.68 -0.02 -1.26 -1.87 135.00 134.08 3hbw n PRO 1198Ca 0.16 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 62.04 3hbw n PRO 1198Cb 0.35 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 3hbw n PRO 1198CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hbw n LEU 1199N -0.28 2.05 -3.59 2.45 7.94 0.13 -4.90 117.00 120.79 3hbw n LEU 1199Ca 0.10 0.09 -0.05 0.00 -1.11 0.00 0.00 56.01 55.04 3hbw n LEU 1199Cb 0.43 -0.58 -0.02 0.00 0.53 0.00 0.00 43.42 43.77 3hbw n LEU 1199CO 0.55 0.57 0.98 -1.59 -1.11 0.00 0.00 177.39 176.79 3hbw s LYS 1200N -2.35 0.35 0.27 1.96 -2.85 -1.09 -5.01 119.74 111.01 3hbw s LYS 1200Ca -0.25 -0.12 -0.14 0.00 -1.00 0.00 0.00 55.97 54.46 3hbw s LYS 1200Cb 0.08 0.16 -0.08 0.00 -2.06 0.00 0.00 37.83 35.93 3hbw s LYS 1200CO 0.36 -0.15 0.67 0.08 0.10 0.00 0.00 175.35 176.41 3hbw s VAL 1201N -2.38 4.75 0.19 1.79 1.01 -1.26 -0.36 120.40 124.13 3hbw s VAL 1201Ca 0.09 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.80 3hbw s VAL 1201Cb -0.01 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3hbw s VAL 1201CO -0.05 -0.07 0.38 0.00 0.00 0.00 0.00 175.10 175.36 3hbw s ALA 1202N -1.84 -0.26 -0.11 5.51 0.00 -0.02 -4.87 121.76 120.16 3hbw s ALA 1202Ca 0.50 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 3hbw s ALA 1202Cb -0.12 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3hbw s ALA 1202CO 0.19 -0.73 0.09 -1.64 0.00 0.00 0.00 175.76 173.67 3hbw s MET 1203N -3.96 3.34 0.08 0.00 -1.94 -1.26 0.37 119.30 115.93 3hbw s MET 1203Ca 0.17 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.96 3hbw s MET 1203Cb 0.01 -3.07 -0.03 0.00 2.01 0.00 0.00 34.83 33.76 3hbw s MET 1203CO 0.01 0.72 -0.13 0.71 -0.01 0.00 0.00 175.02 176.32 3hbw s TYR 1204N -0.87 1.14 0.06 -0.03 1.51 0.18 -4.92 117.35 114.43 3hbw s TYR 1204Ca 0.14 -0.51 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 3hbw s TYR 1204Cb -0.12 -0.63 -0.05 0.00 -0.11 0.00 0.00 41.96 41.05 3hbw s TYR 1204CO 0.03 0.04 0.93 0.21 -1.11 0.00 0.00 175.55 175.65 3hbw s LYS 1205N -2.03 4.62 -0.02 -0.62 2.20 -1.22 -0.26 119.74 122.41 3hbw s LYS 1205Ca -0.00 1.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 3hbw s LYS 1205Cb -0.08 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 3hbw s LYS 1205CO 0.02 0.15 2.03 -1.91 -0.36 0.00 0.00 175.35 175.27 3hbw n GLU 1206N 3.13 2.67 -1.62 4.03 2.13 -0.93 -4.88 120.64 125.17 3hbw n GLU 1206Ca 0.02 0.94 -0.46 0.00 0.66 0.00 0.00 57.16 58.32 3hbw n GLU 1206Cb 0.50 -3.06 -0.03 0.00 0.27 0.00 0.00 31.44 29.12 3hbw n GLU 1206CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hbw n PRO 1207N 7.80 1.55 -2.17 5.31 -0.02 -1.26 -4.90 135.00 141.31 3hbw n PRO 1207Ca 0.22 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 3hbw n PRO 1207Cb 0.42 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3hbw n PRO 1207CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hbw s SER 1208N -0.06 6.80 -0.12 2.55 0.15 -1.26 -4.98 113.70 116.78 3hbw s SER 1208Ca 0.67 2.15 -0.21 0.00 0.70 0.00 0.00 55.95 59.26 3hbw s SER 1208Cb -0.73 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 60.99 3hbw s SER 1208CO 0.54 -0.77 0.62 -0.22 1.20 0.00 0.00 173.24 174.61 3hbw s LEU 1209N 2.68 4.25 -0.04 3.45 2.96 -1.26 -4.12 118.68 126.59 3hbw s LEU 1209Ca 0.66 0.98 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 3hbw s LEU 1209Cb -0.32 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 3hbw s LEU 1209CO 0.27 -0.14 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.93 3hbw s HIS 1210N 1.11 2.46 0.79 5.38 3.76 0.06 -5.02 115.29 123.84 3hbw s HIS 1210Ca 0.32 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 3hbw s HIS 1210Cb -0.16 -1.57 0.07 0.00 1.11 0.00 0.00 32.58 32.02 3hbw s HIS 1210CO 0.14 -0.08 1.09 -0.51 -0.85 0.00 0.00 174.74 174.53 3hbw s ASP 1211N -0.42 4.40 0.00 1.40 1.01 -1.26 -4.04 116.67 117.76 3hbw s ASP 1211Ca 0.04 1.66 0.32 0.00 0.71 0.00 0.00 52.55 55.28 3hbw s ASP 1211Cb -0.12 -2.39 1.84 0.00 1.01 0.00 0.00 42.92 43.26 3hbw s ASP 1211CO 0.01 -2.08 2.19 0.18 0.21 0.00 0.00 175.17 175.69