#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm4 n SER 1068N 0.00 3.32 0.00 4.38 7.64 -1.26 -4.78 113.62 122.92 1sm4 n SER 1068Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1sm4 n SER 1068Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1sm4 n SER 1068CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sm4 n LYS 1069N 1.86 -0.99 -1.37 1.43 4.76 -1.26 -1.84 118.16 120.75 1sm4 n LYS 1069Ca 0.05 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.65 1sm4 n LYS 1069Cb 0.36 -1.35 -0.07 0.00 -1.84 0.00 0.00 35.03 32.13 1sm4 n LYS 1069CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sm4 n LYS 1070N 0.11 -2.87 -3.08 1.97 4.01 -1.26 -4.25 118.16 112.79 1sm4 n LYS 1070Ca 0.00 2.18 -0.44 0.00 -0.51 0.00 0.00 58.31 59.54 1sm4 n LYS 1070Cb 0.00 -3.47 0.00 0.00 -0.51 0.00 0.00 35.03 31.05 1sm4 n LYS 1070CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1sm4 n GLN 1071N -4.11 3.55 0.00 1.97 6.02 0.14 -4.29 117.38 120.66 1sm4 n GLN 1071Ca -0.04 -4.15 0.10 0.00 -0.01 0.00 0.00 57.00 52.90 1sm4 n GLN 1071Cb 0.66 -2.78 0.07 0.00 1.02 0.00 0.00 30.24 29.22 1sm4 n GLN 1071CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1sm4 n ASP 1072N 3.89 2.58 -4.60 1.08 3.85 -1.26 -4.82 116.55 117.27 1sm4 n ASP 1072Ca 0.31 -1.79 -0.43 0.00 -0.71 0.00 0.00 54.79 52.17 1sm4 n ASP 1072Cb 0.40 0.05 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 1sm4 n ASP 1072CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1sm4 s GLU 1073N -1.73 3.23 0.00 0.11 2.02 -1.26 -1.41 118.70 119.66 1sm4 s GLU 1073Ca 0.23 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.75 1sm4 s GLU 1073Cb 0.17 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 30.14 1sm4 s GLU 1073CO 0.28 -1.98 0.00 0.41 0.02 0.00 0.00 175.26 173.98 1sm4 n GLY 1074N 5.52 0.60 3.66 -1.39 0.00 -1.26 -5.01 105.19 107.32 1sm4 n GLY 1074Ca 0.25 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1sm4 n GLY 1074CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm4 s VAL 1075N -2.00 3.63 -0.07 1.61 0.11 -0.50 -4.99 120.40 118.19 1sm4 s VAL 1075Ca 0.00 0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 59.73 1sm4 s VAL 1075Cb 0.00 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1sm4 s VAL 1075CO 0.00 -0.06 0.32 0.68 -3.33 0.00 0.00 175.10 172.71 1sm4 s VAL 1076N 3.78 5.21 -0.02 2.04 -7.23 -1.26 -5.08 120.40 117.84 1sm4 s VAL 1076Ca 0.71 0.63 0.05 0.00 -1.81 0.00 0.00 61.98 61.56 1sm4 s VAL 1076Cb -0.32 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 1sm4 s VAL 1076CO 0.28 0.53 -0.18 0.54 -0.31 0.00 0.00 175.10 175.97 1sm4 s VAL 1077N -0.62 1.41 -1.25 1.32 0.11 -1.26 -4.61 120.40 115.50 1sm4 s VAL 1077Ca 0.20 -0.74 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1sm4 s VAL 1077Cb -0.15 -1.19 0.01 0.00 -1.53 0.00 0.00 36.38 33.53 1sm4 s VAL 1077CO 0.09 0.40 0.63 0.59 -3.33 0.00 0.00 175.10 173.47 1sm4 n ASN 1078N 2.82 -3.47 0.14 3.54 4.13 0.17 -4.88 115.26 117.71 1sm4 n ASN 1078Ca -0.16 -1.12 0.00 0.00 1.68 0.00 0.00 54.58 54.99 1sm4 n ASN 1078Cb 0.54 -2.69 0.28 0.00 -1.54 0.00 0.00 39.78 36.37 1sm4 n ASN 1078CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1sm4 h LYS 1079N -2.09 0.09 -5.76 3.52 3.64 -1.63 -3.42 116.57 110.91 1sm4 h LYS 1079Ca -0.67 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.03 1sm4 h LYS 1079Cb 1.38 -0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.89 1sm4 h LYS 1079CO 0.54 0.50 -0.86 -0.06 -2.27 0.00 0.00 179.45 177.29 1sm4 s PHE 1080N -4.10 2.08 0.36 1.91 0.08 -0.86 -4.97 117.98 112.48 1sm4 s PHE 1080Ca -0.03 -0.58 0.08 0.00 0.12 0.00 0.00 56.93 56.52 1sm4 s PHE 1080Cb 0.14 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 1sm4 s PHE 1080CO 0.75 -0.17 0.12 1.03 -0.10 0.00 0.00 175.22 176.85 1sm4 s ARG 1081N -0.14 2.24 0.43 0.44 3.00 -1.23 -0.88 118.95 122.80 1sm4 s ARG 1081Ca -0.02 -1.71 0.20 0.00 0.00 0.00 0.00 55.73 54.21 1sm4 s ARG 1081Cb -0.12 -2.04 1.14 0.00 0.00 0.00 0.00 34.95 33.93 1sm4 s ARG 1081CO 0.02 0.04 1.83 -1.35 0.00 0.00 0.00 175.30 175.85 1sm4 h PRO 1082N 1.58 0.34 -0.06 3.54 0.11 -1.99 -1.49 132.00 134.04 1sm4 h PRO 1082Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1sm4 h PRO 1082Cb 1.25 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sm4 h PRO 1082CO 0.66 0.23 0.01 0.87 -0.21 0.00 0.00 178.00 179.56 1sm4 h LYS 1083N 0.35 0.10 -2.66 1.05 1.57 -2.00 -3.36 116.57 111.61 1sm4 h LYS 1083Ca 0.50 -0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 58.65 1sm4 h LYS 1083Cb 1.34 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.24 1sm4 h LYS 1083CO -0.18 0.32 -0.78 0.39 -0.57 0.00 0.00 179.45 178.62 1sm4 n GLU 1084N -4.90 1.08 -1.84 3.15 1.02 -0.83 -5.12 120.64 113.19 1sm4 n GLU 1084Ca -0.07 -3.85 -0.29 0.00 -0.02 0.00 0.00 57.16 52.93 1sm4 n GLU 1084Cb 0.16 -1.96 0.12 0.00 -0.02 0.00 0.00 31.44 29.73 1sm4 n GLU 1084CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1sm4 s PRO 1085N -0.82 1.55 0.18 3.49 0.04 -0.62 -3.58 135.00 135.23 1sm4 s PRO 1085Ca 0.30 0.03 -0.15 0.00 0.04 0.00 0.00 61.00 61.22 1sm4 s PRO 1085Cb 0.01 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1sm4 s PRO 1085CO -0.17 -1.86 0.60 -0.47 0.04 0.00 0.00 177.00 175.13 1sm4 s TYR 1086N -3.59 3.60 -0.39 0.56 5.04 0.53 -4.88 117.35 118.21 1sm4 s TYR 1086Ca 0.65 1.13 -0.07 0.00 -2.44 0.00 0.00 57.07 56.34 1sm4 s TYR 1086Cb -0.10 -2.43 0.08 0.00 0.35 0.00 0.00 41.96 39.86 1sm4 s TYR 1086CO 0.50 0.39 0.20 0.42 -1.34 0.00 0.00 175.55 175.72 1sm4 s ILE 1087N -1.52 3.84 0.51 3.14 1.09 -1.26 -0.73 121.20 126.27 1sm4 s ILE 1087Ca 0.40 -1.51 0.02 0.00 -1.10 0.00 0.00 60.65 58.46 1sm4 s ILE 1087Cb -0.15 -3.37 0.10 0.00 -1.06 0.00 0.00 42.46 37.98 1sm4 s ILE 1087CO 0.20 -0.47 0.70 0.61 -0.10 0.00 0.00 174.94 175.88 1sm4 n GLY 1088N 4.80 1.01 2.83 6.18 0.00 -0.40 -4.88 105.19 114.73 1sm4 n GLY 1088Ca -0.09 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 1sm4 n GLY 1088CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sm4 s ARG 1089N -4.28 0.12 -0.07 1.61 3.52 -1.23 -2.21 118.95 116.41 1sm4 s ARG 1089Ca 0.48 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.84 1sm4 s ARG 1089Cb -0.03 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.06 1sm4 s ARG 1089CO 0.31 -0.08 1.46 0.00 -0.81 0.00 0.00 175.30 176.18 1sm4 n LEU 1091N 6.41 2.86 -3.91 0.00 4.77 0.65 -0.54 117.00 127.24 1sm4 n LEU 1091Ca 0.15 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1sm4 n LEU 1091Cb 0.44 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1sm4 n LEU 1091CO 0.59 0.91 -0.24 -0.76 -1.33 0.00 0.00 177.39 176.56 1sm4 s LEU 1092N -6.69 1.81 -0.25 2.23 1.43 -1.18 -4.73 118.68 111.31 1sm4 s LEU 1092Ca -0.31 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1sm4 s LEU 1092Cb 0.08 0.46 0.14 0.00 0.03 0.00 0.00 46.19 46.90 1sm4 s LEU 1092CO 0.66 -0.34 0.39 0.21 0.23 0.00 0.00 176.35 177.50 1sm4 s ASN 1093N -1.40 0.10 -0.01 2.29 3.84 -1.26 -1.61 114.94 116.89 1sm4 s ASN 1093Ca -0.15 0.30 0.02 0.00 0.21 0.00 0.00 52.86 53.24 1sm4 s ASN 1093Cb -0.08 1.20 -0.00 0.00 -0.55 0.00 0.00 41.25 41.81 1sm4 s ASN 1093CO 0.01 -0.29 -0.07 -0.89 -2.79 0.00 0.00 177.10 173.06 1sm4 s THR 1094N 2.57 0.57 -0.06 -5.21 2.01 -0.68 -4.98 115.64 109.86 1sm4 s THR 1094Ca 0.13 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1sm4 s THR 1094Cb -0.15 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1sm4 s THR 1094CO -0.16 0.16 1.08 -0.75 -0.69 0.00 0.00 174.62 174.26 1sm4 s LYS 1095N -0.13 4.42 0.00 4.92 2.20 -1.26 -0.69 119.74 129.20 1sm4 s LYS 1095Ca 0.02 1.52 0.17 0.00 -0.36 0.00 0.00 55.97 57.32 1sm4 s LYS 1095Cb -0.03 -3.51 0.34 0.00 -1.51 0.00 0.00 37.83 33.12 1sm4 s LYS 1095CO -0.00 -0.31 1.26 0.44 -0.36 0.00 0.00 175.35 176.38 1sm4 n ILE 1096N 4.40 0.63 -4.18 5.43 -5.35 -0.56 -4.94 119.36 114.80 1sm4 n ILE 1096Ca 0.09 -0.82 -0.25 0.00 -0.27 0.00 0.00 62.75 61.51 1sm4 n ILE 1096Cb 0.48 0.81 -0.06 0.00 -1.74 0.00 0.00 39.64 39.13 1sm4 n ILE 1096CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1sm4 s THR 1097N -1.15 3.97 0.53 7.28 -4.23 -1.25 -4.86 115.64 115.92 1sm4 s THR 1097Ca 0.30 -1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 59.15 1sm4 s THR 1097Cb 0.17 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.87 1sm4 s THR 1097CO 0.23 -0.23 1.03 -0.83 -0.54 0.00 0.00 174.62 174.28 1sm4 s GLY 1098N -3.36 2.26 0.25 3.99 0.00 -0.52 -4.91 107.32 105.03 1sm4 s GLY 1098Ca 0.30 0.42 0.20 0.00 0.00 0.00 0.00 44.72 45.64 1sm4 s GLY 1098CO 0.21 0.72 1.60 1.22 0.00 0.00 0.00 173.10 176.85 1sm4 n ASP 1099N -1.46 0.51 -0.03 1.64 8.00 -1.26 -1.20 116.55 122.75 1sm4 n ASP 1099Ca 0.08 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.40 1sm4 n ASP 1099Cb 0.53 -0.78 0.31 0.00 -0.02 0.00 0.00 41.12 41.16 1sm4 n ASP 1099CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sm4 n ASP 1100N -2.14 0.50 -4.77 -2.24 3.85 -1.26 -4.94 116.55 105.56 1sm4 n ASP 1100Ca 0.00 -0.25 -0.35 0.00 -0.71 0.00 0.00 54.79 53.48 1sm4 n ASP 1100Cb 0.10 0.16 0.01 0.00 -1.35 0.00 0.00 41.12 40.04 1sm4 n ASP 1100CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1sm4 s ALA 1101N -2.94 2.63 0.00 2.12 0.00 -0.34 -4.88 121.76 118.36 1sm4 s ALA 1101Ca 0.13 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1sm4 s ALA 1101Cb 0.18 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1sm4 s ALA 1101CO 0.66 -0.93 1.23 -0.35 0.00 0.00 0.00 175.76 176.37 1sm4 n PRO 1102N -1.43 0.64 0.00 0.00 -0.04 -1.26 -4.72 135.00 128.19 1sm4 n PRO 1102Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1sm4 n PRO 1102Cb 0.50 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1sm4 n PRO 1102CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sm4 n GLY 1103N 1.59 4.46 3.82 0.55 0.00 -1.26 -5.14 105.19 109.20 1sm4 n GLY 1103Ca 0.00 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1sm4 n GLY 1103CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sm4 s GLU 1104N -3.54 3.36 -0.05 1.61 -1.05 -1.26 -4.94 118.70 112.83 1sm4 s GLU 1104Ca 0.00 -0.21 0.06 0.00 -0.15 0.00 0.00 54.97 54.67 1sm4 s GLU 1104Cb 0.00 -3.09 -0.01 0.00 -0.44 0.00 0.00 34.13 30.59 1sm4 s GLU 1104CO 0.00 0.73 -0.23 0.99 0.95 0.00 0.00 175.26 177.70 1sm4 s THR 1105N -0.91 1.91 0.11 1.83 2.01 -1.26 -0.41 115.64 118.92 1sm4 s THR 1105Ca 0.14 -1.00 0.10 0.00 0.31 0.00 0.00 61.69 61.24 1sm4 s THR 1105Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1sm4 s THR 1105CO 0.03 0.54 -0.23 0.26 -0.69 0.00 0.00 174.62 174.53 1sm4 s TRP 1106N -0.20 2.41 -0.21 4.92 0.52 0.46 -1.49 118.94 125.35 1sm4 s TRP 1106Ca -0.01 -0.33 -0.04 0.00 0.02 0.00 0.00 56.10 55.73 1sm4 s TRP 1106Cb -0.13 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1sm4 s TRP 1106CO 0.03 0.32 -0.02 -1.58 0.02 0.00 0.00 176.95 175.72 1sm4 s HIS 1107N -1.04 2.99 0.07 -1.98 2.46 0.14 -0.96 115.29 116.96 1sm4 s HIS 1107Ca 0.15 -0.69 0.06 0.00 0.47 0.00 0.00 55.06 55.05 1sm4 s HIS 1107Cb -0.10 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.22 1sm4 s HIS 1107CO 0.07 -0.40 -0.17 0.00 -2.47 0.00 0.00 174.74 171.77 1sm4 s MET 1108N 1.26 0.99 -0.14 2.88 0.23 -0.16 -1.68 119.30 122.68 1sm4 s MET 1108Ca 0.03 -1.00 0.02 0.00 -1.03 0.00 0.00 55.69 53.71 1sm4 s MET 1108Cb -0.14 -1.10 0.02 0.00 -1.53 0.00 0.00 34.83 32.07 1sm4 s MET 1108CO -0.00 0.26 -0.19 0.08 -2.03 0.00 0.00 175.02 173.14 1sm4 s VAL 1109N -1.13 1.87 0.01 5.16 1.01 -0.63 -0.85 120.40 125.84 1sm4 s VAL 1109Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1sm4 s VAL 1109Cb -0.10 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1sm4 s VAL 1109CO 0.03 0.51 -0.06 -0.36 0.00 0.00 0.00 175.10 175.22 1sm4 s PHE 1110N 1.07 2.90 0.19 5.22 0.08 0.41 -0.25 117.98 127.61 1sm4 s PHE 1110Ca -0.02 -0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 1sm4 s PHE 1110Cb -0.14 -1.61 -0.08 0.00 -0.57 0.00 0.00 43.02 40.62 1sm4 s PHE 1110CO -0.06 0.38 0.91 -1.54 -0.10 0.00 0.00 175.22 174.81 1sm4 s SER 1111N -1.44 7.56 0.00 1.36 1.04 0.88 -1.36 113.70 121.74 1sm4 s SER 1111Ca 0.17 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1sm4 s SER 1111Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1sm4 s SER 1111CO 0.08 0.11 0.00 0.35 0.98 0.00 0.00 173.24 174.76 1sm4 n THR 1112N 1.83 0.00 -2.02 2.02 -2.24 -0.47 -3.56 114.28 109.84 1sm4 n THR 1112Ca -0.02 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 1sm4 n THR 1112Cb 0.48 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1sm4 n THR 1112CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sm4 n GLU 1113N -0.96 -1.59 -0.46 -0.78 1.02 -1.18 -1.01 120.64 115.68 1sm4 n GLU 1113Ca 0.00 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1sm4 n GLU 1113Cb 0.00 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 25.81 1sm4 n GLU 1113CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm4 n GLY 1114N -0.71 1.51 0.25 0.62 0.00 -1.24 -4.88 105.19 100.75 1sm4 n GLY 1114Ca -0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1sm4 n GLY 1114CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sm4 h GLU 1115N 1.94 0.00 -4.31 1.61 4.39 -1.39 -3.37 114.58 113.45 1sm4 h GLU 1115Ca 0.00 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 58.97 1sm4 h GLU 1115Cb 0.00 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 28.38 1sm4 h GLU 1115CO 0.00 0.07 -0.37 0.42 -1.16 0.00 0.00 179.01 177.96 1sm4 s ILE 1116N -4.81 4.56 -1.47 3.13 1.09 -1.26 -5.01 121.20 117.43 1sm4 s ILE 1116Ca -0.05 -1.50 -0.13 0.00 -1.10 0.00 0.00 60.65 57.87 1sm4 s ILE 1116Cb 0.16 -3.88 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1sm4 s ILE 1116CO 0.66 -0.68 2.39 -2.65 -0.10 0.00 0.00 174.94 174.56 1sm4 n PRO 1117N 5.02 3.00 -2.18 2.79 -0.02 -1.26 -4.97 135.00 137.37 1sm4 n PRO 1117Ca -0.10 -2.47 -0.29 0.00 -2.02 0.00 0.00 63.50 58.62 1sm4 n PRO 1117Cb 0.42 -3.15 0.02 0.00 -0.02 0.00 0.00 33.50 30.77 1sm4 n PRO 1117CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1sm4 s TYR 1118N 3.02 3.44 0.15 6.00 -0.85 -1.26 -4.62 117.35 123.23 1sm4 s TYR 1118Ca 0.53 0.95 0.07 0.00 -0.52 0.00 0.00 57.07 58.10 1sm4 s TYR 1118Cb 0.15 -2.72 -0.04 0.00 0.38 0.00 0.00 41.96 39.73 1sm4 s TYR 1118CO -0.08 -0.75 -0.17 0.50 -1.52 0.00 0.00 175.55 173.54 1sm4 s ARG 1119N -5.08 1.18 0.27 -3.49 3.52 -1.26 -4.68 118.95 109.42 1sm4 s ARG 1119Ca 0.54 -1.35 -0.30 0.00 -0.13 0.00 0.00 55.73 54.49 1sm4 s ARG 1119Cb -0.11 -1.17 -0.12 0.00 -1.56 0.00 0.00 34.95 31.99 1sm4 s ARG 1119CO 0.49 0.23 1.52 0.39 -0.81 0.00 0.00 175.30 177.12 1sm4 n GLU 1120N 0.37 2.43 -0.09 5.12 4.71 -1.26 -2.68 120.64 129.24 1sm4 n GLU 1120Ca -0.14 0.86 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 1sm4 n GLU 1120Cb 0.57 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 1sm4 n GLU 1120CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sm4 n GLY 1121N 2.12 0.52 4.00 0.62 0.00 -1.26 -4.16 105.19 107.03 1sm4 n GLY 1121Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1sm4 n GLY 1121CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sm4 s GLN 1122N -0.88 2.52 0.26 1.61 -0.21 -1.09 -4.24 119.66 117.62 1sm4 s GLN 1122Ca 0.00 -1.15 0.06 0.00 0.02 0.00 0.00 55.36 54.29 1sm4 s GLN 1122Cb 0.00 -2.61 -0.06 0.00 1.00 0.00 0.00 33.01 31.35 1sm4 s GLN 1122CO 0.00 -0.64 -0.05 -1.12 -2.12 0.00 0.00 175.29 171.36 1sm4 s SER 1123N -4.47 2.47 0.18 5.90 0.01 0.29 -1.58 113.70 116.49 1sm4 s SER 1123Ca 0.58 -1.19 0.04 0.00 1.31 0.00 0.00 55.95 56.70 1sm4 s SER 1123Cb -0.09 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 1sm4 s SER 1123CO 0.37 -0.38 -0.07 0.27 0.41 0.00 0.00 173.24 173.83 1sm4 s ILE 1124N -3.13 1.16 -0.05 1.44 -0.00 -0.91 0.53 121.20 120.23 1sm4 s ILE 1124Ca 0.29 -2.06 0.01 0.00 -0.00 0.00 0.00 60.65 58.89 1sm4 s ILE 1124Cb 0.04 -2.01 -0.03 0.00 -0.00 0.00 0.00 42.46 40.46 1sm4 s ILE 1124CO 0.10 -0.61 -0.07 -0.83 -0.00 0.00 0.00 174.94 173.54 1sm4 s GLY 1125N -3.22 1.70 -0.10 6.27 0.00 -0.31 -0.99 107.32 110.67 1sm4 s GLY 1125Ca 0.21 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1sm4 s GLY 1125CO 0.03 -0.72 -0.21 0.14 0.00 0.00 0.00 173.10 172.34 1sm4 s VAL 1126N -0.85 2.34 -0.36 1.40 1.01 -0.59 -0.19 120.40 123.16 1sm4 s VAL 1126Ca 0.13 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1sm4 s VAL 1126Cb -0.11 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1sm4 s VAL 1126CO 0.03 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.24 1sm4 s ILE 1127N 0.20 4.55 0.43 2.22 1.01 -0.78 -1.98 121.20 126.85 1sm4 s ILE 1127Ca -0.13 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 1sm4 s ILE 1127Cb -0.16 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 1sm4 s ILE 1127CO 0.07 -0.16 1.14 0.00 0.00 0.00 0.00 174.94 175.99 1sm4 s ALA 1128N 1.56 3.05 0.56 9.38 0.00 -1.26 -4.31 121.76 130.74 1sm4 s ALA 1128Ca 0.03 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1sm4 s ALA 1128Cb -0.19 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1sm4 s ALA 1128CO 0.06 -0.50 1.16 -0.51 0.00 0.00 0.00 175.76 175.97 1sm4 s ASP 1129N -1.35 5.55 0.00 0.00 1.01 -1.26 -4.34 116.67 116.27 1sm4 s ASP 1129Ca 0.60 2.26 0.00 0.00 0.71 0.00 0.00 52.55 56.12 1sm4 s ASP 1129Cb -0.27 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.07 1sm4 s ASP 1129CO 0.34 -1.34 0.00 0.61 0.21 0.00 0.00 175.17 174.99 1sm4 n GLY 1130N 0.30 -1.29 3.19 0.21 0.00 -1.26 -4.95 105.19 101.40 1sm4 n GLY 1130Ca 0.12 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 1sm4 n GLY 1130CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm4 s VAL 1131N -0.23 1.01 0.00 1.61 -7.23 -1.26 -3.71 120.40 110.60 1sm4 s VAL 1131Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1sm4 s VAL 1131Cb 0.00 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1sm4 s VAL 1131CO 0.00 -0.57 0.00 -0.90 -0.31 0.00 0.00 175.10 173.32 1sm4 n ASP 1132N 0.45 -0.08 0.27 4.85 5.75 0.93 -4.85 116.55 123.87 1sm4 n ASP 1132Ca -0.15 -0.75 0.18 0.00 -0.01 0.00 0.00 54.79 54.05 1sm4 n ASP 1132Cb 0.58 0.00 0.78 0.00 -1.03 0.00 0.00 41.12 41.45 1sm4 n ASP 1132CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sm4 h ALA 1133N -2.00 1.00 -0.02 2.12 0.00 -2.00 -2.57 119.26 115.80 1sm4 h ALA 1133Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sm4 h ALA 1133Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sm4 h ALA 1133CO 0.00 0.00 -0.01 -1.71 0.00 0.00 0.00 179.25 177.53 1sm4 n ASN 1134N -2.95 1.61 -0.11 0.00 2.85 -1.26 -4.93 115.26 110.47 1sm4 n ASN 1134Ca -0.00 -1.51 -0.01 0.00 -0.11 0.00 0.00 54.58 52.94 1sm4 n ASN 1134Cb 0.23 0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.25 1sm4 n ASN 1134CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sm4 n GLY 1135N 1.20 0.50 3.68 8.20 0.00 -0.97 -5.04 105.19 112.76 1sm4 n GLY 1135Ca 0.18 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1sm4 n GLY 1135CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm4 s LYS 1136N -1.90 2.49 0.79 1.61 1.02 -1.26 -4.85 119.74 117.64 1sm4 s LYS 1136Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.82 1sm4 s LYS 1136Cb 0.00 -2.42 0.08 0.00 -0.52 0.00 0.00 37.83 34.96 1sm4 s LYS 1136CO 0.00 0.47 1.21 -2.14 -0.92 0.00 0.00 175.35 173.97 1sm4 s PRO 1137N -2.86 1.71 0.08 -1.68 0.02 -1.26 -0.05 135.00 130.96 1sm4 s PRO 1137Ca 0.28 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 1sm4 s PRO 1137Cb -0.10 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 1sm4 s PRO 1137CO 0.19 -2.16 1.21 -1.01 -0.33 0.00 0.00 177.00 174.90 1sm4 s HIS 1138N -2.12 3.43 0.61 6.54 3.76 -1.24 -4.60 115.29 121.66 1sm4 s HIS 1138Ca 0.73 1.29 -0.17 0.00 -0.15 0.00 0.00 55.06 56.77 1sm4 s HIS 1138Cb -0.29 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 29.94 1sm4 s HIS 1138CO 0.50 -1.34 1.10 0.15 -0.85 0.00 0.00 174.74 174.30 1sm4 s LYS 1139N 0.88 3.08 0.71 1.40 1.02 -1.26 -4.51 119.74 121.06 1sm4 s LYS 1139Ca 0.58 1.42 -0.15 0.00 0.02 0.00 0.00 55.97 57.85 1sm4 s LYS 1139Cb -0.30 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1sm4 s LYS 1139CO 0.30 -1.03 1.18 -0.48 -0.92 0.00 0.00 175.35 174.40 1sm4 s LEU 1140N -4.44 3.33 0.01 3.17 0.05 -1.26 -4.70 118.68 114.84 1sm4 s LEU 1140Ca 0.68 2.24 0.08 0.00 0.05 0.00 0.00 54.13 57.18 1sm4 s LEU 1140Cb -0.21 -4.58 -0.02 0.00 -2.05 0.00 0.00 46.19 39.33 1sm4 s LEU 1140CO 0.36 -2.09 -0.24 -0.13 -0.55 0.00 0.00 176.35 173.70 1sm4 s ARG 1141N -3.98 1.81 0.12 1.48 3.00 -0.84 -4.91 118.95 115.63 1sm4 s ARG 1141Ca 0.72 -0.93 -0.17 0.00 0.00 0.00 0.00 55.73 55.34 1sm4 s ARG 1141Cb -0.26 -1.84 -0.07 0.00 0.00 0.00 0.00 34.95 32.78 1sm4 s ARG 1141CO 0.44 0.49 0.57 -0.51 0.00 0.00 0.00 175.30 176.30 1sm4 s LEU 1142N -0.84 4.43 -0.07 2.53 1.43 -1.26 -1.55 118.68 123.35 1sm4 s LEU 1142Ca 0.10 1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1sm4 s LEU 1142Cb -0.09 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 43.04 1sm4 s LEU 1142CO 0.00 0.18 0.03 -0.31 0.23 0.00 0.00 176.35 176.48 1sm4 s TYR 1143N -1.30 0.40 0.25 0.29 2.02 -0.16 -4.97 117.35 113.87 1sm4 s TYR 1143Ca 0.34 -0.01 -0.31 0.00 -0.37 0.00 0.00 57.07 56.72 1sm4 s TYR 1143Cb -0.17 -0.67 -0.12 0.00 -0.40 0.00 0.00 41.96 40.60 1sm4 s TYR 1143CO 0.19 -0.28 1.65 0.43 -1.57 0.00 0.00 175.55 175.96 1sm4 n SER 1144N 5.22 3.85 -4.70 2.29 7.64 -1.26 -2.14 113.62 124.52 1sm4 n SER 1144Ca -0.05 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.51 1sm4 n SER 1144Cb 0.50 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 1sm4 n SER 1144CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sm4 s ILE 1145N 0.55 3.95 -2.14 0.44 1.01 -0.61 -4.51 121.20 119.89 1sm4 s ILE 1145Ca 0.70 1.34 0.21 0.00 0.00 0.00 0.00 60.65 62.90 1sm4 s ILE 1145Cb -0.51 -3.86 0.52 0.00 0.01 0.00 0.00 42.46 38.61 1sm4 s ILE 1145CO 0.41 0.03 1.46 0.00 0.00 0.00 0.00 174.94 176.84 1sm4 n ALA 1146N 4.84 2.41 -2.44 9.38 0.00 -0.24 -3.89 120.51 130.57 1sm4 n ALA 1146Ca 0.11 -1.04 -0.28 0.00 0.00 0.00 0.00 53.44 52.23 1sm4 n ALA 1146Cb 0.45 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 1sm4 n ALA 1146CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sm4 s SER 1147N -1.17 3.59 0.92 0.00 1.04 -1.26 -4.01 113.70 112.82 1sm4 s SER 1147Ca 0.41 -0.75 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 1sm4 s SER 1147Cb 0.22 -0.35 0.14 0.00 0.10 0.00 0.00 66.02 66.13 1sm4 s SER 1147CO 0.29 0.14 1.11 -0.94 0.98 0.00 0.00 173.24 174.83 1sm4 s SER 1148N -2.46 3.37 0.32 7.02 1.04 -1.26 -4.69 113.70 117.04 1sm4 s SER 1148Ca 0.19 1.12 0.07 0.00 0.48 0.00 0.00 55.95 57.80 1sm4 s SER 1148Cb -0.09 -1.75 0.74 0.00 0.10 0.00 0.00 66.02 65.02 1sm4 s SER 1148CO 0.10 -2.66 1.81 0.00 0.98 0.00 0.00 173.24 173.47 1sm4 h ALA 1149N -1.57 1.72 0.00 5.32 0.00 -1.88 0.20 119.26 123.06 1sm4 h ALA 1149Ca -0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1sm4 h ALA 1149Cb 1.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sm4 h ALA 1149CO 0.60 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1sm4 n LEU 1150N -4.67 0.18 -0.10 0.00 4.32 -1.26 -4.58 117.00 110.90 1sm4 n LEU 1150Ca 0.21 0.54 0.01 0.00 -0.02 0.00 0.00 56.01 56.76 1sm4 n LEU 1150Cb 0.52 -0.52 -0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1sm4 n LEU 1150CO 0.25 -0.33 -0.03 0.61 -1.22 0.00 0.00 177.39 176.67 1sm4 n GLY 1151N 0.05 -1.94 0.22 -0.72 0.00 0.71 -0.76 105.19 102.75 1sm4 n GLY 1151Ca 0.03 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.64 1sm4 n GLY 1151CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sm4 h ASP 1152N -0.10 0.00 -0.20 1.61 3.32 -1.88 -1.64 116.42 117.53 1sm4 h ASP 1152Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1sm4 h ASP 1152Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1sm4 h ASP 1152CO 0.00 0.26 0.00 0.49 -1.72 0.00 0.00 179.24 178.27 1sm4 n PHE 1153N -3.89 0.24 -2.00 4.55 3.72 -1.26 -4.95 117.46 113.87 1sm4 n PHE 1153Ca -0.02 -0.12 -0.20 0.00 -0.05 0.00 0.00 57.45 57.06 1sm4 n PHE 1153Cb 0.34 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 1sm4 n PHE 1153CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sm4 n GLY 1154N 1.32 0.67 0.28 1.37 0.00 -0.62 -4.85 105.19 103.36 1sm4 n GLY 1154Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1sm4 n GLY 1154CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sm4 n ASP 1155N -1.63 2.02 -1.51 1.61 5.75 -0.69 -4.93 116.55 117.18 1sm4 n ASP 1155Ca -0.22 -1.66 -0.17 0.00 -0.01 0.00 0.00 54.79 52.73 1sm4 n ASP 1155Cb 0.66 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.64 1sm4 n ASP 1155CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1sm4 n SER 1156N 0.14 -5.06 -0.18 -1.12 7.64 0.06 -4.90 113.62 110.21 1sm4 n SER 1156Ca 0.05 0.29 0.08 0.00 1.01 0.00 0.00 58.87 60.30 1sm4 n SER 1156Cb 0.25 -4.09 0.12 0.00 -1.01 0.00 0.00 64.21 59.49 1sm4 n SER 1156CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sm4 n LYS 1157N -2.55 1.10 -4.22 1.43 5.02 -1.26 -3.60 118.16 114.09 1sm4 n LYS 1157Ca -0.18 -2.39 -0.14 0.00 -2.02 0.00 0.00 58.31 53.58 1sm4 n LYS 1157Cb 0.59 -1.35 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1sm4 n LYS 1157CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sm4 s THR 1158N -2.46 0.00 -0.12 -0.18 -4.23 -1.26 -1.36 115.64 106.03 1sm4 s THR 1158Ca 0.28 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1sm4 s THR 1158Cb 0.25 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.63 1sm4 s THR 1158CO 0.02 0.00 0.30 0.54 -0.54 0.00 0.00 174.62 174.93 1sm4 s VAL 1159N -3.97 -0.02 0.09 2.29 0.11 -0.47 -4.67 120.40 113.76 1sm4 s VAL 1159Ca 0.39 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.60 1sm4 s VAL 1159Cb 0.06 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1sm4 s VAL 1159CO 0.16 0.03 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.35 1sm4 s SER 1160N 0.81 3.93 0.04 3.54 0.01 -1.26 -0.44 113.70 120.33 1sm4 s SER 1160Ca -0.05 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 56.76 1sm4 s SER 1160Cb -0.06 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 1sm4 s SER 1160CO -0.05 0.21 -0.13 -0.76 0.41 0.00 0.00 173.24 172.91 1sm4 s LEU 1161N -1.91 2.17 -0.38 2.44 1.43 -0.03 -1.07 118.68 121.32 1sm4 s LEU 1161Ca 0.17 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1sm4 s LEU 1161Cb -0.11 -0.57 0.09 0.00 0.03 0.00 0.00 46.19 45.63 1sm4 s LEU 1161CO 0.09 0.03 0.17 0.00 0.23 0.00 0.00 176.35 176.86 1sm4 s VAL 1163N 1.24 2.62 -0.23 0.00 1.01 -0.14 -4.92 120.40 119.98 1sm4 s VAL 1163Ca 0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1sm4 s VAL 1163Cb -0.22 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1sm4 s VAL 1163CO -0.02 0.50 0.56 -0.75 0.00 0.00 0.00 175.10 175.39 1sm4 s LYS 1164N 1.14 4.13 -0.10 2.72 2.36 -1.26 -0.41 119.74 128.32 1sm4 s LYS 1164Ca 0.01 0.45 -0.29 0.00 -2.55 0.00 0.00 55.97 53.58 1sm4 s LYS 1164Cb -0.14 -3.62 -0.04 0.00 -1.05 0.00 0.00 37.83 32.98 1sm4 s LYS 1164CO -0.05 -0.30 1.59 0.50 1.55 0.00 0.00 175.35 178.64 1sm4 s ARG 1165N 2.12 4.12 -0.40 4.03 3.52 0.45 -4.89 118.95 127.89 1sm4 s ARG 1165Ca 0.24 2.02 -0.21 0.00 -0.13 0.00 0.00 55.73 57.66 1sm4 s ARG 1165Cb -0.16 -3.96 0.01 0.00 -1.56 0.00 0.00 34.95 29.29 1sm4 s ARG 1165CO 0.09 -0.91 0.64 -1.17 -0.81 0.00 0.00 175.30 173.15 1sm4 s LEU 1166N 4.18 4.38 -0.03 -0.88 2.96 -1.26 -4.62 118.68 123.41 1sm4 s LEU 1166Ca 0.70 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1sm4 s LEU 1166Cb -0.30 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.66 1sm4 s LEU 1166CO 0.27 -0.70 0.05 0.54 -1.32 0.00 0.00 176.35 175.19 1sm4 s VAL 1167N 2.78 -0.08 0.17 1.68 0.11 -1.26 -0.34 120.40 123.46 1sm4 s VAL 1167Ca 0.24 0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 59.44 1sm4 s VAL 1167Cb -0.14 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1sm4 s VAL 1167CO 0.17 0.13 0.45 -0.72 -3.33 0.00 0.00 175.10 171.80 1sm4 s TYR 1168N 1.57 -0.06 0.00 1.54 1.13 -0.41 -4.95 117.35 116.16 1sm4 s TYR 1168Ca -0.03 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 1sm4 s TYR 1168Cb -0.13 0.28 0.00 0.00 -1.10 0.00 0.00 41.96 41.02 1sm4 s TYR 1168CO -0.03 -0.83 0.01 0.25 -2.51 0.00 0.00 175.55 172.44 1sm4 n THR 1169N -0.29 0.00 0.00 -3.49 -2.24 -1.26 -0.39 114.28 106.61 1sm4 n THR 1169Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1sm4 n THR 1169Cb 0.63 1.97 0.00 0.00 -2.10 0.00 0.00 70.33 70.82 1sm4 n THR 1169CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sm4 n ASN 1170N 0.00 0.00 0.13 3.42 5.15 -1.26 -2.98 115.26 119.72 1sm4 n ASN 1170Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1sm4 n ASN 1170Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1sm4 n ASN 1170CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1sm4 n ASP 1171N 3.68 -1.58 -3.67 1.20 5.68 -1.26 -5.15 116.55 115.45 1sm4 n ASP 1171Ca 0.00 0.47 -0.11 0.00 -0.50 0.00 0.00 54.79 54.65 1sm4 n ASP 1171Cb 0.00 1.63 -0.05 0.00 -1.14 0.00 0.00 41.12 41.56 1sm4 n ASP 1171CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1sm4 s LYS 1172N -2.00 1.00 0.00 0.11 2.47 -1.16 -5.11 119.74 115.05 1sm4 s LYS 1172Ca 0.00 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 53.77 1sm4 s LYS 1172Cb 0.00 0.44 0.00 0.00 -1.46 0.00 0.00 37.83 36.81 1sm4 s LYS 1172CO 0.00 -0.37 0.00 0.41 0.16 0.00 0.00 175.35 175.55 1sm4 n GLY 1173N 0.00 0.23 3.78 5.54 0.00 -1.26 -4.95 105.19 108.54 1sm4 n GLY 1173Ca -0.17 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 1sm4 n GLY 1173CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sm4 s GLU 1174N -0.53 3.81 -0.33 1.61 -1.05 -1.26 -4.99 118.70 115.95 1sm4 s GLU 1174Ca 0.00 1.55 -0.12 0.00 -0.15 0.00 0.00 54.97 56.25 1sm4 s GLU 1174Cb 0.00 -2.28 -0.02 0.00 -0.44 0.00 0.00 34.13 31.39 1sm4 s GLU 1174CO 0.00 -0.46 0.22 -2.00 0.95 0.00 0.00 175.26 173.97 1sm4 s GLU 1175N -2.91 3.51 -0.07 -4.83 2.12 -1.26 -4.27 118.70 110.99 1sm4 s GLU 1175Ca 0.65 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.37 1sm4 s GLU 1175Cb -0.22 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 1sm4 s GLU 1175CO 0.27 -0.41 -0.11 0.54 -0.54 0.00 0.00 175.26 175.00 1sm4 s VAL 1176N 1.71 3.28 -0.02 3.70 0.11 0.48 -4.98 120.40 124.67 1sm4 s VAL 1176Ca 0.06 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1sm4 s VAL 1176Cb -0.17 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1sm4 s VAL 1176CO 0.10 0.58 0.02 -0.54 -3.33 0.00 0.00 175.10 171.93 1sm4 s LYS 1177N -0.53 2.91 -0.30 1.54 1.02 -1.26 -1.29 119.74 121.83 1sm4 s LYS 1177Ca 0.07 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 1sm4 s LYS 1177Cb -0.12 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1sm4 s LYS 1177CO 0.02 0.65 1.19 0.20 -0.92 0.00 0.00 175.35 176.49 1sm4 s GLY 1178N -1.44 1.49 0.04 -3.33 0.00 0.54 -4.96 107.32 99.66 1sm4 s GLY 1178Ca 0.19 0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1sm4 s GLY 1178CO 0.09 2.42 1.18 -0.24 0.00 0.00 0.00 173.10 176.56 1sm4 h VAL 1179N 5.80 0.00 -0.36 1.40 3.04 -1.98 -1.24 116.25 122.91 1sm4 h VAL 1179Ca -0.23 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1sm4 h VAL 1179Cb 1.08 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1sm4 h VAL 1179CO 1.03 0.00 0.23 0.00 -1.01 0.00 0.00 177.57 177.82 1sm4 h SER 1181N 0.48 1.15 0.94 0.00 4.64 -1.88 0.10 113.55 118.99 1sm4 h SER 1181Ca 0.13 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1sm4 h SER 1181Cb -0.03 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 1sm4 h SER 1181CO -0.03 0.84 -0.54 0.78 -0.87 0.00 0.00 176.83 177.01 1sm4 h ASN 1182N 1.36 0.00 -0.16 4.97 2.35 -1.06 -1.41 115.58 121.64 1sm4 h ASN 1182Ca 0.37 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.07 1sm4 h ASN 1182Cb -0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1sm4 h ASN 1182CO -0.08 0.54 -0.09 0.15 -1.65 0.00 0.00 177.43 176.30 1sm4 h PHE 1183N 0.00 0.40 0.35 1.19 3.57 0.19 -2.80 116.94 119.84 1sm4 h PHE 1183Ca -0.01 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1sm4 h PHE 1183Cb 1.16 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1sm4 h PHE 1183CO 0.00 0.67 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.51 1sm4 h LEU 1184N 0.01 -0.40 -2.46 0.59 3.38 -0.69 -3.07 115.31 112.66 1sm4 h LEU 1184Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1sm4 h LEU 1184Cb 0.57 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sm4 h LEU 1184CO 0.03 -0.13 0.10 0.00 0.09 0.00 0.00 178.44 178.53 1sm4 n ASP 1186N -3.56 2.03 -4.78 0.00 8.00 -1.06 -4.95 116.55 112.23 1sm4 n ASP 1186Ca -0.01 -1.69 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 1sm4 n ASP 1186Cb 0.19 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1sm4 n ASP 1186CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sm4 s LEU 1187N -1.90 4.32 0.02 0.64 1.43 -0.20 -5.02 118.68 117.97 1sm4 s LEU 1187Ca 0.35 3.06 0.06 0.00 -1.03 0.00 0.00 54.13 56.56 1sm4 s LEU 1187Cb 0.20 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1sm4 s LEU 1187CO 0.31 -0.89 -0.14 -0.54 0.23 0.00 0.00 176.35 175.32 1sm4 s LYS 1188N -1.92 2.27 0.14 1.70 -0.14 -1.26 -4.82 119.74 115.71 1sm4 s LYS 1188Ca 0.54 -0.87 -0.34 0.00 -1.36 0.00 0.00 55.97 53.93 1sm4 s LYS 1188Cb -0.47 -2.31 -0.15 0.00 -1.68 0.00 0.00 37.83 33.22 1sm4 s LYS 1188CO 0.62 0.57 1.41 -2.30 -0.76 0.00 0.00 175.35 174.88 1sm4 n PRO 1189N 1.61 1.62 0.00 -1.68 -0.02 -1.26 -1.43 135.00 133.84 1sm4 n PRO 1189Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1sm4 n PRO 1189Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1sm4 n PRO 1189CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sm4 n GLY 1190N 2.71 2.51 3.81 -1.23 0.00 0.29 -4.99 105.19 108.30 1sm4 n GLY 1190Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1sm4 n GLY 1190CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm4 s ALA 1191N -2.49 2.90 0.51 4.61 0.00 -0.52 -4.78 121.76 121.99 1sm4 s ALA 1191Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 1sm4 s ALA 1191Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1sm4 s ALA 1191CO 0.00 -0.36 0.83 -0.51 0.00 0.00 0.00 175.76 175.73 1sm4 s ASP 1192N -2.41 6.21 -0.20 0.00 1.11 -1.26 -1.43 116.67 118.68 1sm4 s ASP 1192Ca 0.64 0.99 -0.13 0.00 0.18 0.00 0.00 52.55 54.23 1sm4 s ASP 1192Cb -0.14 -2.24 0.06 0.00 1.07 0.00 0.00 42.92 41.67 1sm4 s ASP 1192CO 0.25 -0.66 0.50 0.54 1.18 0.00 0.00 175.17 176.97 1sm4 s VAL 1193N -2.83 -0.01 -0.23 -1.27 0.11 -0.94 -4.88 120.40 110.35 1sm4 s VAL 1193Ca 0.49 0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 59.33 1sm4 s VAL 1193Cb -0.10 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1sm4 s VAL 1193CO 0.46 0.02 0.89 -0.54 -3.33 0.00 0.00 175.10 172.60 1sm4 s LYS 1194N 1.17 4.22 -0.01 1.54 1.02 -1.26 -1.28 119.74 125.14 1sm4 s LYS 1194Ca -0.07 1.07 0.07 0.00 0.02 0.00 0.00 55.97 57.06 1sm4 s LYS 1194Cb -0.06 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1sm4 s LYS 1194CO -0.11 -0.52 -0.24 0.42 -0.92 0.00 0.00 175.35 173.98 1sm4 s ILE 1195N 2.85 2.29 0.26 2.17 1.01 0.09 -1.86 121.20 128.02 1sm4 s ILE 1195Ca 0.38 -1.11 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1sm4 s ILE 1195Cb -0.15 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.42 1sm4 s ILE 1195CO 0.08 0.52 -0.05 0.42 0.00 0.00 0.00 174.94 175.91 1sm4 s THR 1196N -0.69 1.52 0.00 2.92 -4.23 0.74 -0.35 115.64 115.55 1sm4 s THR 1196Ca 0.11 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1sm4 s THR 1196Cb -0.10 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1sm4 s THR 1196CO 0.00 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1sm4 n GLY 1197N -0.53 -0.32 3.71 3.99 0.00 -0.06 -1.17 105.19 110.81 1sm4 n GLY 1197Ca -0.06 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 1sm4 n GLY 1197CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sm4 s PRO 1198N 0.00 1.76 0.04 1.61 0.02 -1.26 -1.98 135.00 135.19 1sm4 s PRO 1198Ca 0.00 1.56 0.06 0.00 0.02 0.00 0.00 61.00 62.64 1sm4 s PRO 1198Cb 0.00 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 1sm4 s PRO 1198CO 0.00 -2.08 -0.18 0.08 -0.33 0.00 0.00 177.00 174.49 1sm4 s VAL 1199N -2.42 1.44 0.00 3.83 1.01 0.19 0.42 120.40 124.86 1sm4 s VAL 1199Ca 0.69 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1sm4 s VAL 1199Cb -0.24 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1sm4 s VAL 1199CO 0.52 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1sm4 n GLY 1200N 1.83 1.76 0.00 4.51 0.00 -1.26 -0.55 105.19 111.48 1sm4 n GLY 1200Ca -0.18 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1sm4 n GLY 1200CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sm4 n LYS 1201N 1.75 0.61 -0.11 1.61 5.02 -1.26 -4.78 118.16 121.01 1sm4 n LYS 1201Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1sm4 n LYS 1201Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 35.03 34.93 1sm4 n LYS 1201CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sm4 h GLU 1202N 0.00 0.54 -0.88 1.97 4.57 -1.96 -3.24 114.58 115.59 1sm4 h GLU 1202Ca 0.00 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 57.89 1sm4 h GLU 1202Cb 0.00 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.47 1sm4 h GLU 1202CO 0.00 0.68 0.15 -1.33 -1.18 0.00 0.00 179.01 177.33 1sm4 n MET 1203N -4.56 2.39 -2.53 1.92 2.81 -1.26 -4.92 117.12 110.97 1sm4 n MET 1203Ca -0.02 -1.57 -0.34 0.00 -1.81 0.00 0.00 57.70 53.95 1sm4 n MET 1203Cb 0.26 -1.76 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 1sm4 n MET 1203CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1sm4 s LEU 1204N -1.52 3.88 0.63 4.03 1.43 -1.23 -4.15 118.68 121.75 1sm4 s LEU 1204Ca 0.28 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 55.17 1sm4 s LEU 1204Cb 0.23 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 1sm4 s LEU 1204CO 0.07 -0.77 1.17 -0.04 0.23 0.00 0.00 176.35 177.01 1sm4 s MET 1205N -3.14 2.83 0.53 1.70 -1.94 -1.26 -4.65 119.30 113.36 1sm4 s MET 1205Ca 0.66 1.67 -0.20 0.00 -1.71 0.00 0.00 55.69 56.11 1sm4 s MET 1205Cb -0.17 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.67 1sm4 s MET 1205CO 0.21 -1.28 1.12 -1.25 -0.01 0.00 0.00 175.02 173.81 1sm4 s PRO 1206N -3.63 3.43 0.11 2.03 0.04 -1.26 0.29 135.00 136.01 1sm4 s PRO 1206Ca 0.73 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.20 1sm4 s PRO 1206Cb -0.26 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1sm4 s PRO 1206CO 0.36 -0.78 1.55 0.87 0.04 0.00 0.00 177.00 179.04 1sm4 h LYS 1207N 1.27 0.66 -6.19 4.56 1.57 -1.55 -3.42 116.57 113.47 1sm4 h LYS 1207Ca -0.50 -0.22 -0.56 0.00 -1.87 0.00 0.00 60.65 57.50 1sm4 h LYS 1207Cb 1.26 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.52 1sm4 h LYS 1207CO 0.57 0.78 1.33 0.34 -0.57 0.00 0.00 179.45 181.91 1sm4 s ASP 1208N -6.18 6.00 0.00 0.86 2.15 -1.26 -4.86 116.67 113.38 1sm4 s ASP 1208Ca -0.13 2.20 0.20 0.00 0.43 0.00 0.00 52.55 55.25 1sm4 s ASP 1208Cb 0.09 -2.52 1.16 0.00 -0.30 0.00 0.00 42.92 41.36 1sm4 s ASP 1208CO 0.79 -1.48 1.61 -0.81 -0.17 0.00 0.00 175.17 175.11 1sm4 n PRO 1209N 8.09 0.55 -0.17 4.34 -0.04 -1.26 -2.36 135.00 144.15 1sm4 n PRO 1209Ca 0.24 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1sm4 n PRO 1209Cb 0.43 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.56 1sm4 n PRO 1209CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sm4 n ASN 1210N -1.07 2.77 -4.88 3.54 3.02 -1.26 -0.93 115.26 116.44 1sm4 n ASN 1210Ca 0.14 -3.03 -0.30 0.00 -0.03 0.00 0.00 54.58 51.36 1sm4 n ASN 1210Cb 0.09 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1sm4 n ASN 1210CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sm4 s ALA 1211N -2.80 2.79 -0.30 5.41 0.00 -0.99 -4.56 121.76 121.31 1sm4 s ALA 1211Ca 0.34 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1sm4 s ALA 1211Cb 0.29 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1sm4 s ALA 1211CO 0.05 -1.32 0.19 0.99 0.00 0.00 0.00 175.76 175.67 1sm4 s THR 1212N -3.41 5.10 -0.24 0.00 2.01 0.19 -2.87 115.64 116.41 1sm4 s THR 1212Ca 0.59 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1sm4 s THR 1212Cb -0.11 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.92 1sm4 s THR 1212CO 0.51 0.14 -0.09 0.54 -0.69 0.00 0.00 174.62 175.03 1sm4 s VAL 1213N 1.71 2.54 -0.29 3.82 0.11 0.16 -0.38 120.40 128.06 1sm4 s VAL 1213Ca 0.06 -1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 57.82 1sm4 s VAL 1213Cb -0.17 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.36 1sm4 s VAL 1213CO 0.09 0.17 0.09 -0.63 -3.33 0.00 0.00 175.10 171.50 1sm4 s ILE 1214N 1.25 4.15 -0.25 7.04 -1.09 -0.38 -0.81 121.20 131.10 1sm4 s ILE 1214Ca -0.02 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 57.75 1sm4 s ILE 1214Cb -0.17 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1sm4 s ILE 1214CO -0.06 0.11 0.09 -0.04 -1.23 0.00 0.00 174.94 173.81 1sm4 s MET 1215N 1.54 3.72 -0.36 2.79 -1.94 -0.00 -0.61 119.30 124.43 1sm4 s MET 1215Ca 0.04 -0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 53.55 1sm4 s MET 1215Cb -0.17 -3.39 0.08 0.00 2.01 0.00 0.00 34.83 33.37 1sm4 s MET 1215CO 0.03 -0.18 0.10 -0.51 -0.01 0.00 0.00 175.02 174.46 1sm4 s LEU 1216N 1.62 4.64 0.20 -0.03 1.43 0.05 -0.32 118.68 126.27 1sm4 s LEU 1216Ca 0.06 -1.72 0.04 0.00 -1.03 0.00 0.00 54.13 51.49 1sm4 s LEU 1216Cb -0.15 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1sm4 s LEU 1216CO 0.05 -0.41 -0.04 -0.83 0.23 0.00 0.00 176.35 175.36 1sm4 s GLY 1217N 1.50 1.40 -0.01 -3.19 0.00 -0.48 -1.99 107.32 104.54 1sm4 s GLY 1217Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.07 1sm4 s GLY 1217CO -0.03 -1.64 0.02 -0.51 0.00 0.00 0.00 173.10 170.93 1sm4 s THR 1218N -3.38 -0.04 0.00 0.90 -4.23 -1.11 -1.22 115.64 106.56 1sm4 s THR 1218Ca 0.25 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1sm4 s THR 1218Cb 0.05 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.83 1sm4 s THR 1218CO 0.06 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1sm4 n GLY 1219N 3.84 3.28 0.00 3.99 0.00 -1.01 -1.06 105.19 114.23 1sm4 n GLY 1219Ca -0.23 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1sm4 n GLY 1219CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sm4 n THR 1220N 0.00 1.22 0.33 2.61 -2.24 -1.26 -2.63 114.28 112.31 1sm4 n THR 1220Ca 0.00 0.31 0.03 0.00 -2.27 0.00 0.00 64.05 62.12 1sm4 n THR 1220Cb 0.00 -1.19 0.17 0.00 -2.10 0.00 0.00 70.33 67.21 1sm4 n THR 1220CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sm4 n GLY 1221N -0.75 -0.40 0.21 3.38 0.00 -0.23 -1.36 105.19 106.04 1sm4 n GLY 1221Ca 0.02 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1sm4 n GLY 1221CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sm4 h ILE 1222N 0.00 0.00 -0.40 -0.61 6.09 -1.72 -3.38 117.51 117.49 1sm4 h ILE 1222Ca 0.00 -0.71 0.04 0.00 -1.37 0.00 0.00 64.86 62.82 1sm4 h ILE 1222Cb 0.04 1.69 -0.06 0.00 0.47 0.00 0.00 36.82 38.96 1sm4 h ILE 1222CO 0.00 0.00 -0.31 0.00 -3.07 0.00 0.00 178.15 174.77 1sm4 h ALA 1223N 2.10 -0.41 -0.71 0.18 0.00 -1.50 0.11 119.26 119.03 1sm4 h ALA 1223Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sm4 h ALA 1223Cb 0.76 1.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1sm4 h ALA 1223CO 0.00 -0.60 0.44 -1.00 0.00 0.00 0.00 179.25 178.09 1sm4 h PRO 1224N -0.09 0.96 -0.17 0.00 0.13 -1.74 -2.53 132.00 128.56 1sm4 h PRO 1224Ca 0.07 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1sm4 h PRO 1224Cb 0.26 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1sm4 h PRO 1224CO -0.43 0.66 -0.22 0.74 -0.23 0.00 0.00 178.00 178.52 1sm4 h PHE 1225N 0.98 0.33 -0.54 1.56 0.04 -1.48 -0.38 116.94 117.44 1sm4 h PHE 1225Ca 0.26 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 1sm4 h PHE 1225Cb -0.06 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1sm4 h PHE 1225CO 0.00 0.51 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.08 1sm4 h ARG 1226N 0.27 0.97 -0.34 1.51 2.43 -0.42 -0.46 114.38 118.34 1sm4 h ARG 1226Ca 0.05 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1sm4 h ARG 1226Cb 0.55 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1sm4 h ARG 1226CO 0.04 0.99 0.21 1.03 -1.51 0.00 0.00 179.97 180.73 1sm4 h SER 1227N 0.88 0.36 0.12 -3.80 0.87 -1.02 -1.14 113.55 109.82 1sm4 h SER 1227Ca 0.15 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1sm4 h SER 1227Cb 0.59 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1sm4 h SER 1227CO 0.04 0.26 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.28 1sm4 h PHE 1228N 0.43 -0.15 -0.52 2.24 -1.00 -0.70 -3.18 116.94 114.05 1sm4 h PHE 1228Ca 0.13 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 1sm4 h PHE 1228Cb -0.03 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 1sm4 h PHE 1228CO -0.06 -0.08 0.20 -0.07 -1.61 0.00 0.00 178.31 176.68 1sm4 h LEU 1229N -0.18 0.68 -0.41 1.54 3.38 -0.84 -2.06 115.31 117.42 1sm4 h LEU 1229Ca -0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sm4 h LEU 1229Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sm4 h LEU 1229CO 0.03 0.62 0.25 -0.50 0.09 0.00 0.00 178.44 178.93 1sm4 h TRP 1230N 0.74 0.53 -0.63 1.13 4.06 -1.22 0.11 115.95 120.67 1sm4 h TRP 1230Ca 0.18 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.08 1sm4 h TRP 1230Cb 0.15 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 1sm4 h TRP 1230CO 0.01 0.36 0.20 -0.22 -3.56 0.00 0.00 178.44 175.23 1sm4 h LYS 1231N 0.54 0.97 -0.22 0.49 3.64 -1.48 0.10 116.57 120.62 1sm4 h LYS 1231Ca 0.15 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1sm4 h LYS 1231Cb -0.02 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1sm4 h LYS 1231CO -0.03 0.86 -0.19 0.52 -2.27 0.00 0.00 179.45 178.33 1sm4 h MET 1232N 0.90 0.52 0.00 1.90 2.86 -1.03 -3.34 114.93 116.74 1sm4 h MET 1232Ca 0.20 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sm4 h MET 1232Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1sm4 h MET 1232CO -0.01 0.84 -0.58 1.19 1.06 0.00 0.00 176.91 179.42 1sm4 n PHE 1233N -4.43 0.00 0.21 -0.22 3.72 0.36 -4.64 117.46 112.46 1sm4 n PHE 1233Ca -0.05 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.44 1sm4 n PHE 1233Cb 0.40 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.79 1sm4 n PHE 1233CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1sm4 n PHE 1234N -1.30 0.00 -4.51 1.38 3.72 0.26 -4.99 117.46 112.02 1sm4 n PHE 1234Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 1sm4 n PHE 1234Cb 0.06 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.21 1sm4 n PHE 1234CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sm4 s GLU 1235N -3.00 2.21 -0.53 -1.08 2.02 -0.65 -5.01 118.70 112.67 1sm4 s GLU 1235Ca -0.03 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 1sm4 s GLU 1235Cb 0.11 -2.30 0.09 0.00 0.10 0.00 0.00 34.13 32.13 1sm4 s GLU 1235CO 0.70 0.55 0.57 0.15 0.02 0.00 0.00 175.26 177.24 1sm4 s LYS 1236N -1.60 3.04 -0.19 1.61 -0.14 -1.26 -4.79 119.74 116.41 1sm4 s LYS 1236Ca 0.17 -1.28 -0.02 0.00 -1.36 0.00 0.00 55.97 53.48 1sm4 s LYS 1236Cb -0.11 -4.19 -0.01 0.00 -1.68 0.00 0.00 37.83 31.84 1sm4 s LYS 1236CO 0.08 -1.28 -0.09 -1.01 -0.76 0.00 0.00 175.35 172.29 1sm4 s HIS 1237N 2.21 2.90 0.13 3.18 3.76 -1.25 -5.00 115.29 121.22 1sm4 s HIS 1237Ca 0.09 -0.97 -0.15 0.00 -0.15 0.00 0.00 55.06 53.88 1sm4 s HIS 1237Cb -0.24 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 1sm4 s HIS 1237CO 0.07 -0.50 1.60 -0.44 -0.85 0.00 0.00 174.74 174.62 1sm4 h ASP 1238N 7.75 0.67 0.68 1.40 3.45 -2.02 -2.67 116.42 125.67 1sm4 h ASP 1238Ca -0.39 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 56.81 1sm4 h ASP 1238Cb 1.17 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 1sm4 h ASP 1238CO 0.60 0.77 0.00 -0.90 -1.57 0.00 0.00 179.24 178.14 1sm4 n ASP 1239N -4.49 0.00 -3.66 6.45 5.75 -1.26 -4.53 116.55 114.81 1sm4 n ASP 1239Ca -0.00 0.31 -0.27 0.00 -0.01 0.00 0.00 54.79 54.82 1sm4 n ASP 1239Cb 0.25 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 39.75 1sm4 n ASP 1239CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1sm4 s TYR 1240N -2.85 0.57 -0.44 2.11 5.04 -1.01 -5.06 117.35 115.71 1sm4 s TYR 1240Ca 0.15 -0.61 0.02 0.00 -2.44 0.00 0.00 57.07 54.19 1sm4 s TYR 1240Cb 0.15 -0.87 0.14 0.00 0.35 0.00 0.00 41.96 41.73 1sm4 s TYR 1240CO 0.40 -0.58 0.25 0.15 -1.34 0.00 0.00 175.55 174.43 1sm4 s LYS 1241N 2.01 1.29 -0.02 4.97 1.02 -1.26 -3.81 119.74 123.94 1sm4 s LYS 1241Ca 0.02 -2.03 -0.30 0.00 0.02 0.00 0.00 55.97 53.68 1sm4 s LYS 1241Cb -0.16 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.78 1sm4 s LYS 1241CO -0.11 -1.18 1.78 0.12 -0.92 0.00 0.00 175.35 175.04 1sm4 s PHE 1242N 0.31 1.70 -0.09 3.18 5.36 -1.26 -4.85 117.98 122.33 1sm4 s PHE 1242Ca 0.18 -0.05 0.13 0.00 -0.96 0.00 0.00 56.93 56.23 1sm4 s PHE 1242Cb -0.22 -4.04 0.24 0.00 -0.34 0.00 0.00 43.02 38.65 1sm4 s PHE 1242CO -0.01 -4.51 1.12 0.09 -1.46 0.00 0.00 175.22 170.45 1sm4 n ASN 1243N 7.35 1.37 0.00 6.13 5.03 -0.11 -5.04 115.26 129.99 1sm4 n ASN 1243Ca 0.18 -2.77 0.00 0.00 0.87 0.00 0.00 54.58 52.87 1sm4 n ASN 1243Cb 0.42 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 1sm4 n ASN 1243CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sm4 n GLY 1244N -0.71 1.98 3.37 7.41 0.00 -1.17 -4.85 105.19 111.22 1sm4 n GLY 1244Ca 0.10 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1sm4 n GLY 1244CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sm4 s LEU 1245N 0.00 3.04 -0.27 0.99 2.96 -1.14 -4.63 118.68 119.63 1sm4 s LEU 1245Ca 0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1sm4 s LEU 1245Cb 0.00 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.93 1sm4 s LEU 1245CO 0.00 0.01 0.01 0.00 -1.32 0.00 0.00 176.35 175.05 1sm4 s ALA 1246N 1.29 2.88 -0.27 5.97 0.00 0.11 -0.66 121.76 131.07 1sm4 s ALA 1246Ca 0.04 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1sm4 s ALA 1246Cb -0.14 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.12 1sm4 s ALA 1246CO -0.01 -0.84 -0.06 -0.46 0.00 0.00 0.00 175.76 174.39 1sm4 s TRP 1247N 1.42 3.24 -0.21 0.00 -0.11 0.01 -1.01 118.94 122.27 1sm4 s TRP 1247Ca 0.02 -2.08 -0.11 0.00 1.22 0.00 0.00 56.10 55.15 1sm4 s TRP 1247Cb -0.17 -2.01 -0.05 0.00 -1.50 0.00 0.00 33.47 29.74 1sm4 s TRP 1247CO -0.01 -0.84 0.16 -1.17 -4.62 0.00 0.00 176.95 170.47 1sm4 s LEU 1248N 1.18 4.17 -0.18 5.86 2.96 0.32 -0.82 118.68 132.17 1sm4 s LEU 1248Ca -0.07 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1sm4 s LEU 1248Cb -0.20 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.38 1sm4 s LEU 1248CO -0.03 0.12 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.60 1sm4 s PHE 1249N 0.69 2.82 -0.12 5.38 0.40 0.56 -0.41 117.98 127.30 1sm4 s PHE 1249Ca 0.09 -1.33 -0.00 0.00 -0.60 0.00 0.00 56.93 55.08 1sm4 s PHE 1249Cb -0.12 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.47 1sm4 s PHE 1249CO 0.01 -0.67 -0.08 -1.17 0.70 0.00 0.00 175.22 174.01 1sm4 s LEU 1250N 1.23 1.29 -0.17 -0.37 2.96 -0.33 -1.38 118.68 121.90 1sm4 s LEU 1250Ca 0.03 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1sm4 s LEU 1250Cb -0.14 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1sm4 s LEU 1250CO -0.07 -0.12 0.05 -0.83 -1.32 0.00 0.00 176.35 174.06 1sm4 s GLY 1251N 1.67 1.88 0.10 7.98 0.00 -0.36 -0.98 107.32 117.61 1sm4 s GLY 1251Ca 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 44.72 43.94 1sm4 s GLY 1251CO -0.09 0.00 0.16 -1.34 0.00 0.00 0.00 173.10 171.84 1sm4 s VAL 1252N 0.29 0.14 0.11 1.40 -7.23 -0.49 -2.39 120.40 112.23 1sm4 s VAL 1252Ca 0.03 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1sm4 s VAL 1252Cb -0.13 -1.51 -0.22 0.00 0.56 0.00 0.00 36.38 35.09 1sm4 s VAL 1252CO 0.01 -0.64 1.25 1.55 -0.31 0.00 0.00 175.10 176.96 1sm4 h PRO 1253N 2.79 0.31 -4.86 4.82 0.13 -1.92 -2.45 132.00 130.82 1sm4 h PRO 1253Ca -0.34 -0.41 -0.31 0.00 -0.87 0.00 0.00 66.00 64.08 1sm4 h PRO 1253Cb 1.19 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 1sm4 h PRO 1253CO 0.57 1.12 -0.66 0.95 -0.23 0.00 0.00 178.00 179.75 1sm4 s THR 1254N -3.01 0.73 0.24 1.56 -4.23 -1.26 -1.25 115.64 108.43 1sm4 s THR 1254Ca -0.04 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 1sm4 s THR 1254Cb 0.08 -2.21 0.20 0.00 1.34 0.00 0.00 72.50 71.92 1sm4 s THR 1254CO 0.87 -0.41 1.85 0.28 -0.54 0.00 0.00 174.62 176.67 1sm4 h SER 1255N 2.63 1.05 0.07 3.99 0.02 -1.95 -1.59 113.55 117.77 1sm4 h SER 1255Ca -0.37 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1sm4 h SER 1255Cb 1.21 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1sm4 h SER 1255CO 0.63 0.87 0.00 -1.54 -1.14 0.00 0.00 176.83 175.65 1sm4 n SER 1256N -4.32 0.00 -0.53 3.07 3.41 -1.26 -1.28 113.62 112.70 1sm4 n SER 1256Ca 0.08 -0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.62 1sm4 n SER 1256Cb 0.13 -0.11 0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1sm4 n SER 1256CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sm4 n SER 1257N -1.11 2.29 -4.59 4.04 7.64 -0.60 -1.44 113.62 119.85 1sm4 n SER 1257Ca 0.06 -1.65 -0.42 0.00 1.01 0.00 0.00 58.87 57.87 1sm4 n SER 1257Cb 0.05 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1sm4 n SER 1257CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sm4 s LEU 1258N -0.98 3.49 0.12 -3.43 1.02 -0.41 -4.93 118.68 113.57 1sm4 s LEU 1258Ca 0.17 0.59 -0.25 0.00 0.02 0.00 0.00 54.13 54.65 1sm4 s LEU 1258Cb 0.11 -3.30 -0.07 0.00 0.02 0.00 0.00 46.19 42.95 1sm4 s LEU 1258CO 0.15 -1.60 0.78 -0.76 0.02 0.00 0.00 176.35 174.95 1sm4 s LEU 1259N 5.88 4.54 -1.76 1.79 1.43 -1.26 -4.09 118.68 125.21 1sm4 s LEU 1259Ca 0.58 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1sm4 s LEU 1259Cb -0.12 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1sm4 s LEU 1259CO 0.29 0.13 0.00 -1.22 0.23 0.00 0.00 176.35 175.78 1sm4 n TYR 1260N 2.05 -0.31 -0.26 0.29 4.01 -1.26 -4.88 117.16 116.79 1sm4 n TYR 1260Ca -0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.66 1sm4 n TYR 1260Cb 0.49 -3.07 0.01 0.00 -0.31 0.00 0.00 39.34 36.47 1sm4 n TYR 1260CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1sm4 h LYS 1261N 0.00 -0.11 -0.47 -0.72 3.64 -1.99 -0.42 116.57 116.51 1sm4 h LYS 1261Ca -0.35 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1sm4 h LYS 1261Cb 1.13 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1sm4 h LYS 1261CO 0.51 -0.07 0.30 1.49 -2.27 0.00 0.00 179.45 179.41 1sm4 h GLU 1262N -0.12 0.62 -0.24 1.90 4.22 -1.93 0.19 114.58 119.23 1sm4 h GLU 1262Ca 0.26 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.63 1sm4 h GLU 1262Cb 0.56 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1sm4 h GLU 1262CO -0.78 0.42 0.01 0.93 -2.18 0.00 0.00 179.01 177.41 1sm4 h GLU 1263N 0.64 0.42 -0.22 1.92 5.08 -1.49 -0.27 114.58 120.66 1sm4 h GLU 1263Ca 0.17 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1sm4 h GLU 1263Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1sm4 h GLU 1263CO -0.04 0.59 -0.29 0.74 -1.00 0.00 0.00 179.01 179.01 1sm4 h PHE 1264N 0.20 0.50 0.23 4.33 0.04 -0.85 -1.29 116.94 120.09 1sm4 h PHE 1264Ca 0.07 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1sm4 h PHE 1264Cb 0.39 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1sm4 h PHE 1264CO 0.03 0.69 -0.12 1.49 -0.60 0.00 0.00 178.31 179.80 1sm4 h GLU 1265N 0.39 -0.32 -0.97 1.51 4.57 -0.78 -1.24 114.58 117.74 1sm4 h GLU 1265Ca 0.05 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.43 1sm4 h GLU 1265Cb 0.70 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.27 1sm4 h GLU 1265CO 0.05 -0.21 0.61 -0.22 -1.18 0.00 0.00 179.01 178.06 1sm4 h LYS 1266N -0.33 0.70 -0.30 1.92 1.63 -0.63 -1.09 116.57 118.47 1sm4 h LYS 1266Ca -0.03 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.56 1sm4 h LYS 1266Cb 0.26 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1sm4 h LYS 1266CO 0.04 0.47 -0.49 0.52 -3.45 0.00 0.00 179.45 176.54 1sm4 h MET 1267N 0.73 0.83 -0.67 1.90 2.86 -0.69 -2.70 114.93 117.19 1sm4 h MET 1267Ca 0.53 -0.49 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1sm4 h MET 1267Cb 0.87 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1sm4 h MET 1267CO -0.30 1.13 0.29 -0.22 1.06 0.00 0.00 176.91 178.87 1sm4 h LYS 1268N 0.65 0.96 0.01 1.72 1.63 -0.04 -0.40 116.57 121.11 1sm4 h LYS 1268Ca 0.03 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1sm4 h LYS 1268Cb 1.07 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1sm4 h LYS 1268CO 0.11 0.77 -0.00 0.93 -3.45 0.00 0.00 179.45 177.80 1sm4 h GLU 1269N 0.95 -0.01 -0.43 1.90 3.07 -1.29 -2.19 114.58 116.58 1sm4 h GLU 1269Ca 0.23 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 1sm4 h GLU 1269Cb 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1sm4 h GLU 1269CO -0.03 0.13 0.07 0.87 -1.40 0.00 0.00 179.01 178.66 1sm4 h LYS 1270N -0.15 0.70 -2.12 2.33 1.57 -1.21 -3.37 116.57 114.33 1sm4 h LYS 1270Ca -0.00 -0.19 -0.57 0.00 -1.87 0.00 0.00 60.65 58.02 1sm4 h LYS 1270Cb 0.15 -0.08 -0.41 0.00 0.08 0.00 0.00 32.23 31.97 1sm4 h LYS 1270CO 0.00 0.74 -0.85 0.00 -0.57 0.00 0.00 179.45 178.77 1sm4 n ALA 1271N -2.38 3.38 0.14 3.86 0.00 -0.18 -4.96 120.51 120.38 1sm4 n ALA 1271Ca -0.00 -4.14 0.16 0.00 0.00 0.00 0.00 53.44 49.45 1sm4 n ALA 1271Cb 0.24 -0.85 0.73 0.00 0.00 0.00 0.00 19.45 19.57 1sm4 n ALA 1271CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sm4 h PRO 1272N 3.74 0.00 -0.07 0.00 0.13 -1.56 -1.58 132.00 132.66 1sm4 h PRO 1272Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1sm4 h PRO 1272Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1sm4 h PRO 1272CO 0.67 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 1sm4 n GLU 1273N -4.20 2.13 -0.00 0.86 4.71 -1.26 -4.32 120.64 118.55 1sm4 n GLU 1273Ca 0.03 -1.64 0.00 0.00 -0.01 0.00 0.00 57.16 55.54 1sm4 n GLU 1273Cb 0.37 -1.47 -0.00 0.00 -1.01 0.00 0.00 31.44 29.33 1sm4 n GLU 1273CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1sm4 n ASN 1274N 0.97 4.86 -4.32 1.62 4.13 -0.92 -4.92 115.26 116.69 1sm4 n ASN 1274Ca 0.16 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.09 1sm4 n ASN 1274Cb 0.52 0.90 -0.15 0.00 -1.54 0.00 0.00 39.78 39.51 1sm4 n ASN 1274CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1sm4 s PHE 1275N -2.03 2.84 -0.13 3.10 5.36 -0.64 0.05 117.98 126.53 1sm4 s PHE 1275Ca -0.00 -0.84 0.03 0.00 -0.96 0.00 0.00 56.93 55.15 1sm4 s PHE 1275Cb 0.00 -1.92 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 1sm4 s PHE 1275CO 0.02 -0.37 -0.22 1.03 -1.46 0.00 0.00 175.22 174.22 1sm4 s ARG 1276N 0.75 2.98 -0.15 10.12 0.52 -0.18 -4.74 118.95 128.25 1sm4 s ARG 1276Ca -0.05 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1sm4 s ARG 1276Cb -0.15 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.95 1sm4 s ARG 1276CO 0.01 0.02 -0.18 -1.17 0.02 0.00 0.00 175.30 174.00 1sm4 s LEU 1277N 0.73 2.30 -0.13 2.53 2.96 -1.26 -0.52 118.68 125.29 1sm4 s LEU 1277Ca -0.09 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1sm4 s LEU 1277Cb -0.16 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.06 1sm4 s LEU 1277CO 0.00 0.08 -0.05 -1.81 -1.32 0.00 0.00 176.35 173.25 1sm4 s ASP 1278N 0.82 2.35 0.04 3.68 1.01 0.45 -4.99 116.67 120.03 1sm4 s ASP 1278Ca -0.06 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 1sm4 s ASP 1278Cb -0.15 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 1sm4 s ASP 1278CO -0.01 -0.16 0.21 -0.36 0.21 0.00 0.00 175.17 175.05 1sm4 s PHE 1279N 1.74 3.53 -0.24 4.23 0.08 -1.26 -1.18 117.98 124.87 1sm4 s PHE 1279Ca 0.03 0.30 -0.03 0.00 0.12 0.00 0.00 56.93 57.35 1sm4 s PHE 1279Cb -0.14 -1.80 0.08 0.00 -0.57 0.00 0.00 43.02 40.60 1sm4 s PHE 1279CO -0.08 0.60 0.08 0.00 -0.10 0.00 0.00 175.22 175.72 1sm4 s ALA 1280N -1.46 1.00 -0.50 5.36 0.00 -0.16 -4.91 121.76 121.10 1sm4 s ALA 1280Ca 0.33 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1sm4 s ALA 1280Cb -0.13 -1.32 0.13 0.00 0.00 0.00 0.00 23.12 21.80 1sm4 s ALA 1280CO 0.25 -1.40 0.32 0.08 0.00 0.00 0.00 175.76 175.02 1sm4 s VAL 1281N 1.88 3.73 0.62 0.00 1.01 -1.25 -1.39 120.40 125.01 1sm4 s VAL 1281Ca 0.04 -2.23 0.33 0.00 0.00 0.00 0.00 61.98 60.12 1sm4 s VAL 1281Cb -0.17 -3.49 0.37 0.00 0.00 0.00 0.00 36.38 33.09 1sm4 s VAL 1281CO -0.18 -0.77 2.13 0.77 0.00 0.00 0.00 175.10 177.04 1sm4 h SER 1282N 7.89 0.00 -0.47 3.32 4.64 -1.10 -1.52 113.55 126.31 1sm4 h SER 1282Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1sm4 h SER 1282Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1sm4 h SER 1282CO 0.75 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.25 1sm4 n ARG 1283N -3.43 2.56 0.00 4.77 1.74 -0.38 -4.20 116.66 117.72 1sm4 n ARG 1283Ca -0.00 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 1sm4 n ARG 1283Cb 0.28 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1sm4 n ARG 1283CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sm4 n GLU 1284N 1.53 -0.01 -3.90 5.56 1.02 -0.83 -5.02 120.64 119.00 1sm4 n GLU 1284Ca 0.20 -0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 1sm4 n GLU 1284Cb 0.61 -0.54 -0.11 0.00 -0.02 0.00 0.00 31.44 31.39 1sm4 n GLU 1284CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1sm4 s GLN 1285N -0.02 0.39 0.11 3.49 -0.21 -0.63 -5.04 119.66 117.75 1sm4 s GLN 1285Ca 0.00 -0.39 -0.07 0.00 0.02 0.00 0.00 55.36 54.92 1sm4 s GLN 1285Cb 0.00 0.16 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 1sm4 s GLN 1285CO 0.00 -0.08 0.18 0.95 -2.12 0.00 0.00 175.29 174.21 1sm4 s THR 1286N -1.22 0.12 0.70 -0.19 -4.23 -1.26 -1.20 115.64 108.36 1sm4 s THR 1286Ca -0.13 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1sm4 s THR 1286Cb -0.07 -1.60 0.13 0.00 1.34 0.00 0.00 72.50 72.30 1sm4 s THR 1286CO 0.01 -0.57 0.97 0.54 -0.54 0.00 0.00 174.62 175.03 1sm4 s ASN 1287N -2.92 4.43 0.24 3.99 6.03 0.31 -4.86 114.94 122.17 1sm4 s ASN 1287Ca 0.11 -0.57 -0.05 0.00 -1.03 0.00 0.00 52.86 51.32 1sm4 s ASN 1287Cb 0.05 0.21 0.46 0.00 -3.03 0.00 0.00 41.25 38.94 1sm4 s ASN 1287CO -0.06 -1.82 1.67 1.05 -2.03 0.00 0.00 177.10 175.91 1sm4 h GLU 1288N -0.41 0.21 0.00 3.55 9.09 -2.01 0.43 114.58 125.44 1sm4 h GLU 1288Ca -0.33 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.06 1sm4 h GLU 1288Cb 1.27 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1sm4 h GLU 1288CO 0.38 0.14 0.00 1.63 0.05 0.00 0.00 179.01 181.22 1sm4 n LYS 1289N -5.21 0.07 -0.54 1.06 5.02 -1.26 -4.82 118.16 112.49 1sm4 n LYS 1289Ca 0.14 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1sm4 n LYS 1289Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1sm4 n LYS 1289CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sm4 n GLY 1290N -0.54 0.70 3.82 0.72 0.00 0.15 -5.07 105.19 104.97 1sm4 n GLY 1290Ca 0.03 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1sm4 n GLY 1290CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sm4 s GLU 1291N -0.81 4.17 0.62 1.61 2.02 -1.25 -4.76 118.70 120.30 1sm4 s GLU 1291Ca 0.00 0.75 -0.18 0.00 0.02 0.00 0.00 54.97 55.55 1sm4 s GLU 1291Cb 0.00 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 1sm4 s GLU 1291CO 0.00 0.46 1.09 1.63 0.02 0.00 0.00 175.26 178.45 1sm4 n LYS 1292N 0.90 0.98 -2.89 1.61 5.02 -1.26 -0.53 118.16 121.99 1sm4 n LYS 1292Ca -0.04 0.38 -0.44 0.00 -2.02 0.00 0.00 58.31 56.19 1sm4 n LYS 1292Cb 0.51 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.20 1sm4 n LYS 1292CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1sm4 s MET 1293N -2.99 3.73 0.46 1.97 -2.45 -0.34 -4.70 119.30 114.98 1sm4 s MET 1293Ca 0.78 -1.92 -0.01 0.00 -1.25 0.00 0.00 55.69 53.30 1sm4 s MET 1293Cb -0.40 -5.01 -0.00 0.00 1.25 0.00 0.00 34.83 30.66 1sm4 s MET 1293CO 0.44 -1.82 0.70 0.71 1.05 0.00 0.00 175.02 176.10 1sm4 s TYR 1294N 2.65 3.25 0.23 4.11 2.02 -1.26 -2.46 117.35 125.89 1sm4 s TYR 1294Ca 0.37 0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 57.30 1sm4 s TYR 1294Cb -0.04 -2.34 0.38 0.00 -0.40 0.00 0.00 41.96 39.56 1sm4 s TYR 1294CO -0.07 -0.39 1.65 0.97 -1.57 0.00 0.00 175.55 176.15 1sm4 h ILE 1295N 0.34 0.42 -0.11 2.71 2.10 -1.93 -0.29 117.51 120.75 1sm4 h ILE 1295Ca -0.46 -0.04 -0.05 0.00 1.08 0.00 0.00 64.86 65.39 1sm4 h ILE 1295Cb 1.25 0.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.25 1sm4 h ILE 1295CO 0.58 0.02 -0.15 0.06 -1.08 0.00 0.00 178.15 177.59 1sm4 h GLN 1296N 0.13 0.18 0.00 2.19 -0.00 -1.94 -1.43 115.11 114.24 1sm4 h GLN 1296Ca 0.37 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.91 1sm4 h GLN 1296Cb 0.64 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.08 1sm4 h GLN 1296CO -0.59 0.33 -0.35 1.79 -0.00 0.00 0.00 178.83 180.01 1sm4 h THR 1297N 0.17 0.79 0.08 1.86 1.35 -1.41 -0.62 112.91 115.14 1sm4 h THR 1297Ca 0.03 -1.52 -0.28 0.00 -0.55 0.00 0.00 66.41 64.10 1sm4 h THR 1297Cb 0.37 1.96 0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1sm4 h THR 1297CO 0.02 0.35 -1.16 -0.09 -0.25 0.00 0.00 175.52 174.39 1sm4 h ARG 1298N 0.00 0.55 -0.78 4.72 9.65 -0.71 -3.19 114.38 124.62 1sm4 h ARG 1298Ca -0.00 -0.70 -0.05 0.00 -1.10 0.00 0.00 59.98 58.13 1sm4 h ARG 1298Cb 0.93 0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 1sm4 h ARG 1298CO 0.05 1.30 0.30 0.52 2.80 0.00 0.00 179.97 184.93 1sm4 h MET 1299N 0.26 1.17 -1.15 0.20 2.86 -1.01 -2.70 114.93 114.55 1sm4 h MET 1299Ca -0.15 -0.22 0.33 0.00 -2.06 0.00 0.00 59.70 57.60 1sm4 h MET 1299Cb 1.82 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 33.24 1sm4 h MET 1299CO 0.21 0.95 0.81 0.00 1.06 0.00 0.00 176.91 179.94 1sm4 h ALA 1300N 1.16 2.90 0.00 6.32 0.00 -1.10 0.54 119.26 129.07 1sm4 h ALA 1300Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sm4 h ALA 1300Cb 0.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sm4 h ALA 1300CO -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 179.25 177.97 1sm4 n GLN 1301N -4.30 0.94 -0.54 0.00 10.64 -1.02 -2.82 117.38 120.29 1sm4 n GLN 1301Ca 0.26 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.46 1sm4 n GLN 1301Cb 1.16 -1.27 0.04 0.00 -0.86 0.00 0.00 30.24 29.31 1sm4 n GLN 1301CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1sm4 n TYR 1302N -0.77 0.00 -0.33 2.61 4.01 0.19 -4.90 117.16 117.96 1sm4 n TYR 1302Ca 0.12 -0.34 0.07 0.00 -0.16 0.00 0.00 57.90 57.60 1sm4 n TYR 1302Cb 0.06 -0.09 0.23 0.00 -0.31 0.00 0.00 39.34 39.22 1sm4 n TYR 1302CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sm4 h ALA 1303N 0.17 1.40 0.70 -0.72 0.00 -1.33 0.06 119.26 119.53 1sm4 h ALA 1303Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sm4 h ALA 1303Cb 1.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1sm4 h ALA 1303CO 0.01 0.09 -0.45 0.93 0.00 0.00 0.00 179.25 179.83 1sm4 h GLU 1304N 0.84 -1.05 -0.22 0.00 5.08 -1.90 -2.49 114.58 114.83 1sm4 h GLU 1304Ca 0.47 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.94 1sm4 h GLU 1304Cb 0.54 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1sm4 h GLU 1304CO -0.30 -0.70 0.01 0.93 -1.00 0.00 0.00 179.01 177.95 1sm4 h GLU 1305N -1.09 0.08 -0.77 2.33 3.07 -1.84 -2.61 114.58 113.74 1sm4 h GLU 1305Ca -0.09 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1sm4 h GLU 1305Cb 0.89 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.73 1sm4 h GLU 1305CO 0.07 0.05 0.50 -0.07 -1.40 0.00 0.00 179.01 178.16 1sm4 h LEU 1306N 0.09 0.83 -0.76 1.33 3.38 -1.01 -0.72 115.31 118.45 1sm4 h LEU 1306Ca 0.10 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1sm4 h LEU 1306Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1sm4 h LEU 1306CO -0.16 0.58 -0.33 -0.25 0.09 0.00 0.00 178.44 178.37 1sm4 h TRP 1307N 0.98 0.64 0.09 1.13 2.91 -1.34 -0.39 115.95 119.97 1sm4 h TRP 1307Ca 0.30 -0.16 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 1sm4 h TRP 1307Cb -0.02 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.49 1sm4 h TRP 1307CO -0.03 0.82 -0.04 1.15 -1.03 0.00 0.00 178.44 179.31 1sm4 h THR 1308N 0.47 1.11 -0.90 2.65 2.02 -1.09 -2.93 112.91 114.25 1sm4 h THR 1308Ca 0.05 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.51 1sm4 h THR 1308Cb 0.81 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1sm4 h THR 1308CO 0.07 0.18 0.59 -0.07 0.37 0.00 0.00 175.52 176.66 1sm4 h LEU 1309N -0.46 0.97 -2.39 2.58 3.38 -1.11 -1.70 115.31 116.57 1sm4 h LEU 1309Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1sm4 h LEU 1309Cb 0.39 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sm4 h LEU 1309CO 0.02 0.67 -0.03 0.25 0.09 0.00 0.00 178.44 179.43 1sm4 h LEU 1310N 1.12 0.00 -0.15 1.67 5.85 -0.95 -2.00 115.31 120.85 1sm4 h LEU 1310Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1sm4 h LEU 1310Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1sm4 h LEU 1310CO -0.11 0.03 0.00 0.11 -0.34 0.00 0.00 178.44 178.14 1sm4 h LYS 1311N 0.00 0.00 -6.41 1.25 1.57 -1.12 -3.45 116.57 108.41 1sm4 h LYS 1311Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1sm4 h LYS 1311Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1sm4 h LYS 1311CO 0.00 0.00 0.30 0.15 -0.57 0.00 0.00 179.45 179.33 1sm4 s LYS 1312N -3.15 4.59 0.44 3.15 1.02 -0.75 -4.95 119.74 120.07 1sm4 s LYS 1312Ca 0.09 1.31 0.29 0.00 0.02 0.00 0.00 55.97 57.68 1sm4 s LYS 1312Cb 0.11 -3.41 1.58 0.00 -0.52 0.00 0.00 37.83 35.60 1sm4 s LYS 1312CO 0.56 0.12 1.90 0.38 -0.92 0.00 0.00 175.35 177.39 1sm4 h ASP 1313N 6.13 0.00 -0.64 2.83 2.03 -1.87 -2.22 116.42 122.68 1sm4 h ASP 1313Ca -0.42 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.53 1sm4 h ASP 1313Cb 1.21 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.51 1sm4 h ASP 1313CO 0.73 0.00 0.22 -0.46 -1.03 0.00 0.00 179.24 178.70 1sm4 n ASN 1314N -2.53 3.24 -4.42 4.15 6.94 -1.26 -3.31 115.26 118.06 1sm4 n ASN 1314Ca -0.02 -3.73 -0.35 0.00 -0.02 0.00 0.00 54.58 50.46 1sm4 n ASN 1314Cb 0.05 -0.72 -0.13 0.00 -2.36 0.00 0.00 39.78 36.62 1sm4 n ASN 1314CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1sm4 s THR 1315N -3.38 3.95 -0.06 5.53 2.01 -0.84 -0.64 115.64 122.20 1sm4 s THR 1315Ca 0.50 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1sm4 s THR 1315Cb 0.44 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1sm4 s THR 1315CO 0.04 0.40 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.77 1sm4 s PHE 1316N 1.26 2.35 -0.08 4.92 0.08 0.48 -4.79 117.98 122.20 1sm4 s PHE 1316Ca 0.04 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.39 1sm4 s PHE 1316Cb -0.15 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1sm4 s PHE 1316CO 0.01 -0.23 -0.16 0.08 -0.10 0.00 0.00 175.22 174.82 1sm4 s VAL 1317N -0.09 2.85 -0.04 -0.44 1.01 0.03 -1.24 120.40 122.48 1sm4 s VAL 1317Ca -0.05 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1sm4 s VAL 1317Cb -0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1sm4 s VAL 1317CO 0.04 0.56 -0.19 -0.31 0.00 0.00 0.00 175.10 175.20 1sm4 s TYR 1318N -0.25 1.90 -0.07 5.22 1.51 0.22 -1.43 117.35 124.45 1sm4 s TYR 1318Ca 0.01 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1sm4 s TYR 1318Cb -0.13 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1sm4 s TYR 1318CO 0.03 -0.16 -0.12 1.41 -1.11 0.00 0.00 175.55 175.60 1sm4 s MET 1319N -0.07 1.65 -0.12 -0.62 1.75 -0.16 -0.77 119.30 120.96 1sm4 s MET 1319Ca -0.02 -0.39 -0.11 0.00 -1.25 0.00 0.00 55.69 53.92 1sm4 s MET 1319Cb -0.12 -1.39 0.03 0.00 2.84 0.00 0.00 34.83 36.20 1sm4 s MET 1319CO 0.02 0.01 0.33 0.00 -0.65 0.00 0.00 175.02 174.73 1sm4 n GLY 1321N 3.04 0.30 3.72 0.00 0.00 -1.18 -2.76 105.19 108.31 1sm4 n GLY 1321Ca -0.14 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1sm4 n GLY 1321CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sm4 s LEU 1322N 0.00 4.43 0.25 0.99 2.01 -1.26 -0.55 118.68 124.54 1sm4 s LEU 1322Ca 0.00 1.82 -0.01 0.00 0.01 0.00 0.00 54.13 55.95 1sm4 s LEU 1322Cb 0.00 -3.58 0.55 0.00 0.01 0.00 0.00 46.19 43.17 1sm4 s LEU 1322CO 0.00 -0.23 1.28 1.17 1.01 0.00 0.00 176.35 179.58 1sm4 n LYS 1323N 3.36 -0.07 0.11 1.70 0.00 -1.25 -0.89 118.16 121.12 1sm4 n LYS 1323Ca 0.05 1.24 0.18 0.00 0.00 0.00 0.00 58.31 59.78 1sm4 n LYS 1323Cb 0.49 -1.93 0.74 0.00 0.00 0.00 0.00 35.03 34.33 1sm4 n LYS 1323CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1sm4 h GLY 1324N 0.00 0.00 1.70 3.14 0.00 -1.92 -2.56 103.07 103.42 1sm4 h GLY 1324Ca 0.46 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.83 1sm4 h GLY 1324CO -0.79 0.00 0.12 0.00 0.00 0.00 0.00 176.54 175.86 1sm4 h MET 1325N 0.00 0.00 -0.72 4.80 -0.00 -1.41 -3.08 114.93 114.52 1sm4 h MET 1325Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 1sm4 h MET 1325Cb 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.30 1sm4 h MET 1325CO -0.00 0.00 0.46 1.49 -0.00 0.00 0.00 176.91 178.86 1sm4 h GLU 1326N 0.00 0.95 -0.27 -0.10 4.81 -1.66 -3.10 114.58 115.22 1sm4 h GLU 1326Ca 0.06 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1sm4 h GLU 1326Cb 0.29 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1sm4 h GLU 1326CO -0.00 0.65 -0.41 0.37 -0.73 0.00 0.00 179.01 178.88 1sm4 h GLN 1327N 0.97 0.77 -0.96 1.92 5.75 -1.78 -1.09 115.11 120.69 1sm4 h GLN 1327Ca 0.26 -0.46 0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1sm4 h GLN 1327Cb -0.09 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.43 1sm4 h GLN 1327CO -0.05 1.08 0.60 0.78 -2.65 0.00 0.00 178.83 178.59 1sm4 h GLY 1328N 0.51 1.52 1.15 2.39 0.00 -1.70 0.47 103.07 107.42 1sm4 h GLY 1328Ca 0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 1sm4 h GLY 1328CO 0.10 0.20 -0.37 -2.22 0.00 0.00 0.00 176.54 174.25 1sm4 h ILE 1329N 0.99 1.27 -0.12 2.60 5.03 -1.45 -2.97 117.51 122.85 1sm4 h ILE 1329Ca 0.46 -1.54 0.01 0.00 -0.12 0.00 0.00 64.86 63.67 1sm4 h ILE 1329Cb 0.37 1.36 -0.02 0.00 -3.03 0.00 0.00 36.82 35.50 1sm4 h ILE 1329CO -0.24 0.52 0.02 0.44 -0.68 0.00 0.00 178.15 178.21 1sm4 h ASP 1330N 0.76 0.01 -0.22 1.72 3.32 0.34 -0.26 116.42 122.10 1sm4 h ASP 1330Ca 0.07 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1sm4 h ASP 1330Cb 0.96 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1sm4 h ASP 1330CO 0.09 0.02 -0.08 -2.24 -1.72 0.00 0.00 179.24 175.31 1sm4 h ASP 1331N 0.07 0.56 -0.46 6.45 2.03 -1.03 0.54 116.42 124.57 1sm4 h ASP 1331Ca 0.05 -0.14 -0.08 0.00 -0.73 0.00 0.00 57.03 56.14 1sm4 h ASP 1331Cb 0.04 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1sm4 h ASP 1331CO -0.07 0.68 0.01 0.40 -1.03 0.00 0.00 179.24 179.24 1sm4 h ILE 1332N 0.54 1.25 -0.20 4.15 1.08 -1.32 -2.30 117.51 120.71 1sm4 h ILE 1332Ca 0.10 -1.03 -0.16 0.00 -0.39 0.00 0.00 64.86 63.38 1sm4 h ILE 1332Cb 0.47 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1sm4 h ILE 1332CO 0.03 0.37 -0.52 0.24 -0.69 0.00 0.00 178.15 177.58 1sm4 h MET 1333N 0.81 0.57 -0.64 2.37 2.86 -0.49 -3.16 114.93 117.26 1sm4 h MET 1333Ca 0.16 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1sm4 h MET 1333Cb 0.47 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1sm4 h MET 1333CO 0.02 0.95 0.31 0.77 1.06 0.00 0.00 176.91 180.02 1sm4 h SER 1334N 0.45 0.81 -0.17 1.22 0.02 -0.50 -0.80 113.55 114.58 1sm4 h SER 1334Ca 0.02 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1sm4 h SER 1334Cb 1.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1sm4 h SER 1334CO 0.10 0.69 -0.35 0.77 -1.14 0.00 0.00 176.83 176.89 1sm4 h SER 1335N 0.90 0.72 -0.29 3.07 4.64 -1.41 0.66 113.55 121.84 1sm4 h SER 1335Ca 0.22 -0.30 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1sm4 h SER 1335Cb 0.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1sm4 h SER 1335CO -0.03 1.00 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.54 1sm4 h LEU 1336N 0.57 0.85 -0.06 5.97 4.07 -1.45 -3.14 115.31 122.11 1sm4 h LEU 1336Ca 0.06 -0.35 -0.06 0.00 0.08 0.00 0.00 57.88 57.60 1sm4 h LEU 1336Cb 0.87 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1sm4 h LEU 1336CO 0.08 1.10 -0.20 0.00 -1.08 0.00 0.00 178.44 178.33 1sm4 h ALA 1337N 0.95 0.11 -0.80 1.53 0.00 -1.03 -3.32 119.26 116.70 1sm4 h ALA 1337Ca 0.07 -0.39 0.19 0.00 0.00 0.00 0.00 54.91 54.78 1sm4 h ALA 1337Cb 0.87 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1sm4 h ALA 1337CO 0.08 0.07 0.24 0.00 0.00 0.00 0.00 179.25 179.63 1sm4 h ALA 1338N 0.44 1.12 0.00 0.00 0.00 -0.89 -0.38 119.26 119.56 1sm4 h ALA 1338Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sm4 h ALA 1338Cb 0.82 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1sm4 h ALA 1338CO 0.04 -0.35 0.00 0.36 0.00 0.00 0.00 179.25 179.30 1sm4 n LYS 1339N -5.14 0.10 -0.11 0.00 2.85 -1.19 -0.77 118.16 113.90 1sm4 n LYS 1339Ca 0.17 0.23 0.04 0.00 -1.05 0.00 0.00 58.31 57.71 1sm4 n LYS 1339Cb 0.54 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.52 1sm4 n LYS 1339CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1sm4 n GLU 1340N -1.34 2.40 -1.22 -1.58 1.02 -0.16 -5.00 120.64 114.76 1sm4 n GLU 1340Ca 0.04 -1.76 -0.08 0.00 -0.02 0.00 0.00 57.16 55.35 1sm4 n GLU 1340Cb 0.09 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1sm4 n GLU 1340CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm4 n GLY 1341N 0.32 0.95 3.39 0.62 0.00 0.05 -5.03 105.19 105.49 1sm4 n GLY 1341Ca 0.08 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1sm4 n GLY 1341CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sm4 s ILE 1342N -2.24 2.55 -0.23 -0.61 -4.36 -1.18 -5.02 121.20 110.10 1sm4 s ILE 1342Ca 0.00 -0.92 -0.29 0.00 -0.26 0.00 0.00 60.65 59.18 1sm4 s ILE 1342Cb 0.00 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1sm4 s ILE 1342CO 0.00 0.58 1.30 -0.62 0.24 0.00 0.00 174.94 176.44 1sm4 s ASP 1343N -0.67 6.78 0.32 4.36 -1.08 -1.26 -3.79 116.67 121.33 1sm4 s ASP 1343Ca 0.11 1.45 0.04 0.00 -0.52 0.00 0.00 52.55 53.63 1sm4 s ASP 1343Cb -0.10 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.49 1sm4 s ASP 1343CO -0.00 -0.94 1.88 -0.25 0.52 0.00 0.00 175.17 176.38 1sm4 h TRP 1344N 8.87 0.95 -0.26 -5.34 -0.00 -1.91 -2.05 115.95 116.21 1sm4 h TRP 1344Ca -0.27 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.69 1sm4 h TRP 1344Cb 1.10 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 29.92 1sm4 h TRP 1344CO 0.85 0.42 0.04 0.00 -0.00 0.00 0.00 178.44 179.74 1sm4 h ALA 1345N 1.56 0.26 0.00 2.65 0.00 -1.99 0.21 119.26 121.95 1sm4 h ALA 1345Ca 0.43 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 1sm4 h ALA 1345Cb 0.47 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1sm4 h ALA 1345CO -0.19 -0.38 -0.42 0.38 0.00 0.00 0.00 179.25 178.64 1sm4 h ASP 1346N 0.13 0.00 -0.21 0.00 3.04 -1.93 -3.04 116.42 114.41 1sm4 h ASP 1346Ca 0.12 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.75 1sm4 h ASP 1346Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 1sm4 h ASP 1346CO -0.17 0.36 -0.49 0.22 -2.04 0.00 0.00 179.24 177.12 1sm4 h TYR 1347N 0.00 0.90 -0.29 4.15 3.20 -1.03 -2.37 116.97 121.53 1sm4 h TYR 1347Ca -0.01 -0.34 -0.02 0.00 3.14 0.00 0.00 58.73 61.51 1sm4 h TYR 1347Cb 1.28 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1sm4 h TYR 1347CO 0.00 1.13 0.11 -0.22 -1.64 0.00 0.00 178.16 177.54 1sm4 h LYS 1348N 0.41 0.40 -0.10 1.82 3.64 -0.63 -1.24 116.57 120.87 1sm4 h LYS 1348Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1sm4 h LYS 1348Cb 1.10 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1sm4 h LYS 1348CO 0.11 0.34 0.06 -0.22 -2.27 0.00 0.00 179.45 177.47 1sm4 h LYS 1349N 0.40 0.14 -0.02 1.90 3.64 -1.38 -0.39 116.57 120.87 1sm4 h LYS 1349Ca 0.10 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1sm4 h LYS 1349Cb 0.10 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1sm4 h LYS 1349CO -0.01 0.18 -0.19 0.37 -2.27 0.00 0.00 179.45 177.53 1sm4 h GLN 1350N 0.07 -0.29 -0.90 1.90 -0.00 -0.78 -0.73 115.11 114.37 1sm4 h GLN 1350Ca 0.04 0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.80 1sm4 h GLN 1350Cb 0.08 0.07 -0.07 0.00 0.00 0.00 0.00 27.48 27.55 1sm4 h GLN 1350CO -0.01 -0.19 0.55 -0.07 0.00 0.00 0.00 178.83 179.11 1sm4 h LEU 1351N -0.30 0.82 -0.34 -2.39 3.38 -1.06 -1.25 115.31 114.18 1sm4 h LEU 1351Ca 0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sm4 h LEU 1351Cb 0.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1sm4 h LEU 1351CO -0.19 0.48 0.23 0.11 0.09 0.00 0.00 178.44 179.16 1sm4 h LYS 1352N 0.94 0.45 0.00 1.13 1.57 -0.29 0.38 116.57 120.75 1sm4 h LYS 1352Ca 0.42 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1sm4 h LYS 1352Cb 0.32 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1sm4 h LYS 1352CO -0.23 0.30 -0.12 0.87 -0.57 0.00 0.00 179.45 179.71 1sm4 h LYS 1353N 0.47 0.00 -0.52 3.15 1.57 -0.05 -0.87 116.57 120.31 1sm4 h LYS 1353Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1sm4 h LYS 1353Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1sm4 h LYS 1353CO -0.03 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1sm4 n ALA 1354N -2.32 2.71 -1.72 3.86 0.00 -0.65 -4.89 120.51 117.50 1sm4 n ALA 1354Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 1sm4 n ALA 1354Cb 0.22 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1sm4 n ALA 1354CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sm4 n GLU 1355N 0.51 -1.25 0.00 0.00 1.02 -0.33 -3.01 120.64 117.58 1sm4 n GLU 1355Ca 0.13 1.04 0.09 0.00 -0.02 0.00 0.00 57.16 58.39 1sm4 n GLU 1355Cb 0.46 -5.33 -0.09 0.00 -0.02 0.00 0.00 31.44 26.46 1sm4 n GLU 1355CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sm4 n GLN 1356N -2.54 1.13 -3.84 3.49 6.02 0.08 -4.76 117.38 116.96 1sm4 n GLN 1356Ca -0.18 -0.09 -0.30 0.00 -0.01 0.00 0.00 57.00 56.41 1sm4 n GLN 1356Cb 0.59 -1.35 -0.15 0.00 1.02 0.00 0.00 30.24 30.35 1sm4 n GLN 1356CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1sm4 s TRP 1357N -2.63 2.33 -0.21 1.08 -0.11 -1.15 -0.79 118.94 117.46 1sm4 s TRP 1357Ca 0.08 -2.04 -0.01 0.00 1.22 0.00 0.00 56.10 55.34 1sm4 s TRP 1357Cb 0.14 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 30.12 1sm4 s TRP 1357CO 0.71 -0.87 -0.11 -0.80 -4.62 0.00 0.00 176.95 171.26 1sm4 s ASN 1358N 1.40 3.86 -0.05 5.86 0.01 -0.51 -4.46 114.94 121.04 1sm4 s ASN 1358Ca 0.08 -0.62 0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1sm4 s ASN 1358Cb -0.18 -1.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 1sm4 s ASN 1358CO -0.17 -0.04 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.45 1sm4 s VAL 1359N 1.36 1.98 -0.40 1.60 1.01 -1.26 -0.99 120.40 123.70 1sm4 s VAL 1359Ca 0.04 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1sm4 s VAL 1359Cb -0.14 -1.67 0.16 0.00 0.00 0.00 0.00 36.38 34.73 1sm4 s VAL 1359CO -0.07 0.55 0.35 -0.70 0.00 0.00 0.00 175.10 175.23 1sm4 s GLU 1360N -0.15 0.81 0.03 2.72 2.12 -0.14 -4.98 118.70 119.11 1sm4 s GLU 1360Ca -0.03 -1.73 0.02 0.00 0.36 0.00 0.00 54.97 53.59 1sm4 s GLU 1360Cb -0.13 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.02 1sm4 s GLU 1360CO 0.03 -1.33 0.02 0.14 -0.54 0.00 0.00 175.26 173.59 1sm4 s VAL 1361N 0.48 4.26 0.00 3.70 -7.23 -1.26 -3.13 120.40 117.21 1sm4 s VAL 1361Ca 0.28 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1sm4 s VAL 1361Cb -0.04 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1sm4 s VAL 1361CO -0.12 0.29 0.08 0.00 -0.31 0.00 0.00 175.10 175.04