#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4p h GLN 1064N 0.00 -0.91 -0.55 5.55 4.15 -2.09 -3.20 115.11 118.06 3a4p h GLN 1064Ca 0.00 0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3a4p h GLN 1064Cb 0.00 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3a4p h GLN 1064CO 0.00 -0.59 0.21 0.00 -1.93 0.00 0.00 178.83 176.53 3a4p h ALA 1065N -0.76 1.34 0.00 3.38 0.00 -2.07 -2.73 119.26 118.41 3a4p h ALA 1065Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a4p h ALA 1065Cb 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3a4p h ALA 1065CO 0.16 0.49 0.00 -0.24 0.00 0.00 0.00 179.25 179.66 3a4p h VAL 1066N 0.79 0.00 -1.01 0.00 3.04 -2.00 -3.37 116.25 113.70 3a4p h VAL 1066Ca 0.19 -0.35 0.23 0.00 -1.01 0.00 0.00 66.70 65.77 3a4p h VAL 1066Cb 0.16 1.31 -0.11 0.00 -2.01 0.00 0.00 31.29 30.65 3a4p h VAL 1066CO -0.02 0.00 0.62 -0.61 -1.01 0.00 0.00 177.57 176.55 3a4p h GLN 1067N 0.00 0.56 0.00 4.17 5.75 -1.48 -2.31 115.11 121.80 3a4p h GLN 1067Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3a4p h GLN 1067Cb 0.36 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3a4p h GLN 1067CO 0.00 0.37 0.00 -2.39 -2.65 0.00 0.00 178.83 174.16 3a4p n HIS 1068N -4.78 0.00 -0.14 3.99 1.44 -1.26 -2.86 115.22 111.61 3a4p n HIS 1068Ca 0.25 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.68 3a4p n HIS 1068Cb 0.73 -0.35 -0.09 0.00 0.12 0.00 0.00 29.99 30.39 3a4p n HIS 1068CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3a4p n VAL 1069N -1.35 1.52 -1.68 0.61 0.31 -0.87 -4.98 118.33 111.89 3a4p n VAL 1069Ca 0.03 -0.35 -0.45 0.00 -0.01 0.00 0.00 64.34 63.56 3a4p n VAL 1069Cb 0.07 -1.92 -0.04 0.00 -0.91 0.00 0.00 33.84 31.05 3a4p n VAL 1069CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3a4p n VAL 1070N -4.26 0.12 -4.35 2.52 0.31 -1.14 -3.13 118.33 108.40 3a4p n VAL 1070Ca -0.52 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 63.45 3a4p n VAL 1070Cb 0.86 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.95 3a4p n VAL 1070CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3a4p s ILE 1071N 1.56 4.10 0.41 2.52 1.01 0.12 -4.89 121.20 126.02 3a4p s ILE 1071Ca 0.80 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.89 3a4p s ILE 1071Cb -0.63 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 3a4p s ILE 1071CO 0.38 0.51 1.42 -0.83 0.00 0.00 0.00 174.94 176.43 3a4p s GLY 1072N 0.08 2.94 0.53 6.18 0.00 -1.26 -4.07 107.32 111.71 3a4p s GLY 1072Ca 0.01 1.45 0.20 0.00 0.00 0.00 0.00 44.72 46.38 3a4p s GLY 1072CO 0.02 2.09 2.10 -2.55 0.00 0.00 0.00 173.10 174.76 3a4p h PRO 1073N 2.72 0.00 0.00 2.90 0.11 -1.93 -0.83 132.00 134.98 3a4p h PRO 1073Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3a4p h PRO 1073Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a4p h PRO 1073CO 0.63 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.19 3a4p h SER 1074N 0.00 0.00 0.47 -2.05 0.02 -1.99 -2.94 113.55 107.06 3a4p h SER 1074Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3a4p h SER 1074Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3a4p h SER 1074CO -0.00 0.00 -0.48 -1.20 -1.14 0.00 0.00 176.83 174.01 3a4p n SER 1075N -3.08 0.55 -4.21 3.07 7.64 -0.32 -4.86 113.62 112.42 3a4p n SER 1075Ca 0.00 -0.32 -0.34 0.00 1.01 0.00 0.00 58.87 59.23 3a4p n SER 1075Cb 0.28 0.24 -0.15 0.00 -1.01 0.00 0.00 64.21 63.57 3a4p n SER 1075CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3a4p s LEU 1076N -2.95 2.48 -0.40 -3.43 2.96 -1.11 -2.14 118.68 114.08 3a4p s LEU 1076Ca 0.12 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 3a4p s LEU 1076Cb 0.18 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.33 3a4p s LEU 1076CO 0.68 -0.00 0.24 -0.63 -1.32 0.00 0.00 176.35 175.32 3a4p s ILE 1077N 1.33 4.33 -0.17 6.68 -1.09 -0.54 -4.96 121.20 126.78 3a4p s ILE 1077Ca 0.05 -1.22 -0.18 0.00 -2.23 0.00 0.00 60.65 57.06 3a4p s ILE 1077Cb -0.14 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3a4p s ILE 1077CO -0.08 -0.41 0.51 -0.69 -1.23 0.00 0.00 174.94 173.03 3a4p s VAL 1078N 1.47 5.13 -0.99 2.92 1.01 -1.26 -0.48 120.40 128.20 3a4p s VAL 1078Ca 0.02 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 3a4p s VAL 1078Cb -0.22 -3.83 0.18 0.00 0.00 0.00 0.00 36.38 32.51 3a4p s VAL 1078CO 0.04 0.23 1.10 -1.00 0.00 0.00 0.00 175.10 175.46 3a4p s HIS 1079N 1.27 3.52 -1.16 5.22 0.09 -1.02 -4.89 115.29 118.33 3a4p s HIS 1079Ca 0.25 -1.88 0.13 0.00 -0.00 0.00 0.00 55.06 53.56 3a4p s HIS 1079Cb -0.15 -4.11 0.58 0.00 -0.00 0.00 0.00 32.58 28.90 3a4p s HIS 1079CO 0.10 -1.27 1.38 1.19 -0.00 0.00 0.00 174.74 176.14 3a4p n PHE 1080N 5.17 0.00 0.16 1.40 3.72 -1.26 -1.78 117.46 124.87 3a4p n PHE 1080Ca 0.24 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 3a4p n PHE 1080Cb 0.46 -0.42 0.07 0.00 -0.94 0.00 0.00 39.48 38.65 3a4p n PHE 1080CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 3a4p h ASN 1081N 0.00 0.00 -3.51 4.37 7.08 -1.97 -3.43 115.58 118.12 3a4p h ASN 1081Ca 0.00 -0.00 -0.66 0.00 -3.08 0.00 0.00 56.30 52.56 3a4p h ASN 1081Cb 0.18 0.00 -0.39 0.00 -2.08 0.00 0.00 38.32 36.03 3a4p h ASN 1081CO 0.00 0.00 -0.41 -1.61 -2.08 0.00 0.00 177.43 173.33 3a4p s GLU 1082N -3.30 2.64 0.20 4.14 2.02 -0.74 -5.08 118.70 118.59 3a4p s GLU 1082Ca 0.03 -3.12 -0.30 0.00 0.02 0.00 0.00 54.97 51.60 3a4p s GLU 1082Cb 0.08 -3.61 -0.08 0.00 0.10 0.00 0.00 34.13 30.62 3a4p s GLU 1082CO 0.74 -1.24 1.16 0.08 0.02 0.00 0.00 175.26 176.02 3a4p s VAL 1083N -1.07 3.60 -0.18 2.63 1.01 -1.26 -2.93 120.40 122.19 3a4p s VAL 1083Ca 0.23 1.41 0.18 0.00 0.00 0.00 0.00 61.98 63.80 3a4p s VAL 1083Cb -0.11 -3.90 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 3a4p s VAL 1083CO -0.11 0.25 0.10 -0.38 0.00 0.00 0.00 175.10 174.96 3a4p n ILE 1084N 2.18 1.26 -3.64 2.22 5.41 0.39 -4.94 119.36 122.25 3a4p n ILE 1084Ca 0.03 -0.82 -0.04 0.00 1.00 0.00 0.00 62.75 62.92 3a4p n ILE 1084Cb 0.45 -0.43 -0.05 0.00 -0.71 0.00 0.00 39.64 38.90 3a4p n ILE 1084CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3a4p s GLY 1085N -5.38 0.11 -0.08 7.39 0.00 -1.19 -4.99 107.32 103.18 3a4p s GLY 1085Ca -0.10 2.94 -0.00 0.00 0.00 0.00 0.00 44.72 47.56 3a4p s GLY 1085CO 0.83 1.43 -0.05 0.50 0.00 0.00 0.00 173.10 175.81 3a4p s ARG 1086N -0.59 2.90 0.04 2.90 1.81 -1.26 -1.74 118.95 123.00 3a4p s ARG 1086Ca 0.06 -0.51 -0.01 0.00 -1.72 0.00 0.00 55.73 53.56 3a4p s ARG 1086Cb -0.03 -2.67 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 3a4p s ARG 1086CO -0.09 0.63 -0.03 0.20 -0.68 0.00 0.00 175.30 175.33 3a4p s GLY 1087N -0.72 0.39 0.46 -3.53 0.00 -0.73 -4.51 107.32 98.68 3a4p s GLY 1087Ca 0.11 -0.97 0.20 0.00 0.00 0.00 0.00 44.72 44.07 3a4p s GLY 1087CO 0.02 -1.06 1.91 0.45 0.00 0.00 0.00 173.10 174.42 3a4p h HIS 1088N 3.75 0.35 -0.50 1.90 3.86 -1.98 -3.02 115.15 119.50 3a4p h HIS 1088Ca -0.33 0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 58.69 3a4p h HIS 1088Cb 1.17 -0.11 -0.12 0.00 1.06 0.00 0.00 27.41 29.41 3a4p h HIS 1088CO 0.58 0.11 0.12 1.19 0.86 0.00 0.00 177.93 180.80 3a4p n PHE 1089N -4.44 1.62 0.00 2.45 0.99 -1.26 -5.05 117.46 111.77 3a4p n PHE 1089Ca 0.16 -1.40 0.00 0.00 -0.00 0.00 0.00 57.45 56.20 3a4p n PHE 1089Cb 0.66 -0.56 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 3a4p n PHE 1089CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a4p n GLY 1090N -0.82 2.53 3.85 1.37 0.00 -1.14 -3.41 105.19 107.57 3a4p n GLY 1090Ca 0.36 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 3a4p n GLY 1090CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4p s VAL 1092N -1.95 3.01 0.17 0.00 1.01 -0.71 -1.32 120.40 120.60 3a4p s VAL 1092Ca 0.33 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.68 3a4p s VAL 1092Cb -0.09 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3a4p s VAL 1092CO 0.26 0.53 -0.12 -0.31 0.00 0.00 0.00 175.10 175.45 3a4p s TYR 1093N 0.27 1.46 0.78 5.22 2.02 -0.31 0.15 117.35 126.94 3a4p s TYR 1093Ca -0.10 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 55.81 3a4p s TYR 1093Cb -0.16 -0.71 0.07 0.00 -0.40 0.00 0.00 41.96 40.76 3a4p s TYR 1093CO 0.05 0.20 1.13 -1.01 -1.57 0.00 0.00 175.55 174.36 3a4p s HIS 1094N -3.12 2.22 0.13 2.71 3.76 -1.15 0.61 115.29 120.45 3a4p s HIS 1094Ca 0.19 1.63 -0.05 0.00 -0.15 0.00 0.00 55.06 56.68 3a4p s HIS 1094Cb 0.01 -3.24 -0.02 0.00 1.11 0.00 0.00 32.58 30.44 3a4p s HIS 1094CO 0.03 -2.22 0.14 0.20 -0.85 0.00 0.00 174.74 172.05 3a4p s GLY 1095N -2.78 0.65 -0.13 -2.22 0.00 0.11 -2.42 107.32 100.54 3a4p s GLY 1095Ca 0.66 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3a4p s GLY 1095CO 0.52 -1.11 -0.11 -1.59 0.00 0.00 0.00 173.10 170.81 3a4p s THR 1096N -3.98 1.30 0.05 0.90 2.01 0.37 -1.49 115.64 114.79 3a4p s THR 1096Ca 0.18 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.72 3a4p s THR 1096Cb 0.06 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3a4p s THR 1096CO -0.02 0.41 0.11 -0.22 -0.69 0.00 0.00 174.62 174.21 3a4p s LEU 1097N 1.52 3.94 0.41 4.42 2.96 0.38 -1.47 118.68 130.85 3a4p s LEU 1097Ca 0.03 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 3a4p s LEU 1097Cb -0.13 -2.51 -0.06 0.00 0.50 0.00 0.00 46.19 44.00 3a4p s LEU 1097CO -0.08 0.20 0.15 -0.76 -1.32 0.00 0.00 176.35 174.54 3a4p s LEU 1098N -2.20 3.08 -0.67 -0.68 1.43 -0.91 -0.05 118.68 118.68 3a4p s LEU 1098Ca 0.28 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 3a4p s LEU 1098Cb -0.12 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.75 3a4p s LEU 1098CO 0.20 -0.52 0.64 -0.67 0.23 0.00 0.00 176.35 176.24 3a4p n ASP 1099N -1.18 -7.41 0.00 2.29 4.64 -1.26 -4.96 116.55 108.67 3a4p n ASP 1099Ca -0.02 -0.02 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 3a4p n ASP 1099Cb 0.65 -5.02 0.00 0.00 -1.04 0.00 0.00 41.12 35.71 3a4p n ASP 1099CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3a4p n LYS 1103N -1.61 0.00 -3.78 -0.67 3.00 -1.26 -5.01 118.16 108.83 3a4p n LYS 1103Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.95 3a4p n LYS 1103Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.40 3a4p n LYS 1103CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3a4p s LYS 1104N -4.85 2.35 -0.13 1.64 1.02 -1.26 -4.86 119.74 113.65 3a4p s LYS 1104Ca 0.00 -1.47 -0.11 0.00 0.02 0.00 0.00 55.97 54.42 3a4p s LYS 1104Cb 0.00 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 3a4p s LYS 1104CO 0.00 -0.84 0.21 0.42 -0.92 0.00 0.00 175.35 174.22 3a4p s ILE 1105N 1.27 5.37 -0.06 2.17 1.01 0.93 -4.93 121.20 126.96 3a4p s ILE 1105Ca 0.01 0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.84 3a4p s ILE 1105Cb -0.21 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3a4p s ILE 1105CO -0.01 0.51 0.59 -2.28 0.00 0.00 0.00 174.94 173.75 3a4p s HIS 1106N -0.34 3.60 0.21 3.97 2.46 -1.26 -0.47 115.29 123.45 3a4p s HIS 1106Ca 0.15 1.11 -0.00 0.00 0.47 0.00 0.00 55.06 56.79 3a4p s HIS 1106Cb -0.13 -2.64 -0.04 0.00 -0.13 0.00 0.00 32.58 29.64 3a4p s HIS 1106CO 0.04 0.22 0.10 0.00 -2.47 0.00 0.00 174.74 172.63 3a4p s ALA 1108N -3.97 3.12 -0.20 0.00 0.00 -0.22 0.07 121.76 120.56 3a4p s ALA 1108Ca 0.36 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3a4p s ALA 1108Cb 0.07 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.86 3a4p s ALA 1108CO 0.11 0.54 -0.09 0.08 0.00 0.00 0.00 175.76 176.40 3a4p s VAL 1109N -0.71 1.54 -0.15 0.00 1.01 0.20 -0.60 120.40 121.69 3a4p s VAL 1109Ca 0.11 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3a4p s VAL 1109Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3a4p s VAL 1109CO 0.02 0.13 0.55 -0.75 0.00 0.00 0.00 175.10 175.05 3a4p s LYS 1110N 1.43 4.29 -0.15 2.72 2.20 -0.12 -1.16 119.74 128.94 3a4p s LYS 1110Ca -0.02 0.53 -0.19 0.00 -0.36 0.00 0.00 55.97 55.94 3a4p s LYS 1110Cb -0.16 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3a4p s LYS 1110CO -0.08 -0.02 0.53 -1.54 -0.36 0.00 0.00 175.35 173.88 3a4p s SER 1111N 0.92 6.66 -0.20 1.43 1.04 -0.44 -1.11 113.70 122.00 3a4p s SER 1111Ca 0.28 0.80 -0.11 0.00 0.48 0.00 0.00 55.95 57.39 3a4p s SER 1111Cb -0.16 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.61 3a4p s SER 1111CO 0.11 -0.11 0.19 -0.76 0.98 0.00 0.00 173.24 173.66 3a4p s LEU 1112N 1.16 4.19 0.13 2.42 1.43 -1.17 -3.43 118.68 123.41 3a4p s LEU 1112Ca 0.27 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 3a4p s LEU 1112Cb -0.15 -2.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 3a4p s LEU 1112CO 0.11 0.12 1.33 0.78 0.23 0.00 0.00 176.35 178.92 3a4p h ASN 1113N 6.90 0.68 -0.60 2.29 2.35 -1.91 -3.38 115.58 121.91 3a4p h ASN 1113Ca -0.40 -0.48 0.11 0.00 -0.55 0.00 0.00 56.30 54.98 3a4p h ASN 1113Cb 1.16 -0.20 -0.12 0.00 0.05 0.00 0.00 38.32 39.21 3a4p h ASN 1113CO 0.73 1.26 -0.28 0.03 -1.65 0.00 0.00 177.43 177.53 3a4p h ARG 1114N 0.36 -0.11 -6.28 0.81 -0.00 -1.94 -3.47 114.38 103.75 3a4p h ARG 1114Ca -0.06 0.01 -0.68 0.00 -0.50 0.00 0.00 59.98 58.75 3a4p h ARG 1114Cb 1.45 0.03 0.05 0.00 0.00 0.00 0.00 29.97 31.50 3a4p h ARG 1114CO 0.16 -0.07 0.57 -0.89 0.00 0.00 0.00 179.97 179.73 3a4p n ILE 1115N -5.44 0.06 0.00 2.04 -0.00 -1.26 -4.78 119.36 109.97 3a4p n ILE 1115Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 3a4p n ILE 1115Cb 0.35 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 3a4p n ILE 1115CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3a4p n THR 1116N 2.96 0.00 -1.73 1.39 -1.04 -1.26 -4.86 114.28 109.74 3a4p n THR 1116Ca 0.19 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.80 3a4p n THR 1116Cb 0.20 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.73 3a4p n THR 1116CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3a4p n ASP 1117N -0.24 2.86 -0.13 8.00 9.92 -1.26 -4.93 116.55 130.77 3a4p n ASP 1117Ca 0.00 1.09 -0.10 0.00 -0.53 0.00 0.00 54.79 55.25 3a4p n ASP 1117Cb 0.00 -1.55 -0.02 0.00 -0.64 0.00 0.00 41.12 38.91 3a4p n ASP 1117CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 3a4p h ILE 1118N 2.05 1.25 -0.07 0.53 -2.65 -2.01 -2.91 117.51 113.70 3a4p h ILE 1118Ca -0.50 -0.94 -0.02 0.00 1.03 0.00 0.00 64.86 64.44 3a4p h ILE 1118Cb 1.29 1.13 -0.00 0.00 -2.05 0.00 0.00 36.82 37.18 3a4p h ILE 1118CO 0.60 0.32 -0.02 1.23 0.03 0.00 0.00 178.15 180.31 3a4p h GLY 1119N 0.48 0.15 1.91 0.16 0.00 -1.99 -3.12 103.07 100.65 3a4p h GLY 1119Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3a4p h GLY 1119CO 0.01 0.11 -0.06 -1.84 0.00 0.00 0.00 176.54 174.76 3a4p n GLU 1120N -4.81 0.21 -0.00 4.80 0.28 -1.25 0.98 120.64 120.84 3a4p n GLU 1120Ca -0.07 0.16 -0.17 0.00 -0.16 0.00 0.00 57.16 56.91 3a4p n GLU 1120Cb 0.23 -1.73 -0.09 0.00 1.43 0.00 0.00 31.44 31.27 3a4p n GLU 1120CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3a4p h VAL 1121N 0.00 1.35 -0.42 3.84 2.07 -1.62 -1.58 116.25 119.89 3a4p h VAL 1121Ca 0.00 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.47 3a4p h VAL 1121Cb 0.69 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 3a4p h VAL 1121CO 0.00 0.61 0.10 0.28 0.02 0.00 0.00 177.57 178.58 3a4p h SER 1122N 0.18 0.63 -0.49 0.57 0.02 -1.37 -2.48 113.55 110.62 3a4p h SER 1122Ca -0.07 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3a4p h SER 1122Cb 1.35 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 3a4p h SER 1122CO 0.14 0.70 0.17 -0.61 -1.14 0.00 0.00 176.83 176.09 3a4p h GLN 1123N 0.54 0.81 0.00 3.45 4.15 0.53 0.15 115.11 124.75 3a4p h GLN 1123Ca 0.13 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3a4p h GLN 1123Cb 0.31 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3a4p h GLN 1123CO 0.00 0.71 0.00 1.19 -1.93 0.00 0.00 178.83 178.80 3a4p n PHE 1124N -4.30 0.44 0.09 3.99 0.99 -0.59 -1.94 117.46 116.14 3a4p n PHE 1124Ca 0.04 0.15 -0.06 0.00 -0.00 0.00 0.00 57.45 57.58 3a4p n PHE 1124Cb 0.20 -0.75 0.02 0.00 -1.00 0.00 0.00 39.48 37.95 3a4p n PHE 1124CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3a4p h LEU 1125N 0.00 0.13 0.26 4.37 3.38 -0.26 -2.97 115.31 120.23 3a4p h LEU 1125Ca 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3a4p h LEU 1125Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3a4p h LEU 1125CO 0.00 0.89 -0.12 0.74 0.09 0.00 0.00 178.44 180.04 3a4p h THR 1126N 0.06 0.80 0.00 0.22 2.02 -0.62 -1.91 112.91 113.47 3a4p h THR 1126Ca -0.02 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3a4p h THR 1126Cb 1.43 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3a4p h THR 1126CO 0.12 0.11 -0.18 -0.33 0.37 0.00 0.00 175.52 175.61 3a4p h GLU 1127N -0.62 0.00 -0.48 6.66 5.08 -1.66 -1.04 114.58 122.51 3a4p h GLU 1127Ca -0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3a4p h GLU 1127Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3a4p h GLU 1127CO 0.06 0.18 0.30 0.78 -1.00 0.00 0.00 179.01 179.32 3a4p h GLY 1128N 0.59 0.68 0.92 -3.84 0.00 -1.40 0.40 103.07 100.42 3a4p h GLY 1128Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3a4p h GLY 1128CO 0.02 0.21 0.09 -2.22 0.00 0.00 0.00 176.54 174.64 3a4p h ILE 1129N 0.60 1.12 0.46 2.60 5.03 -0.41 -2.13 117.51 124.78 3a4p h ILE 1129Ca 0.19 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.58 3a4p h ILE 1129Cb -0.01 1.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 3a4p h ILE 1129CO -0.07 0.11 -0.27 0.40 -0.68 0.00 0.00 178.15 177.64 3a4p h ILE 1130N 0.16 0.43 -0.95 -0.67 2.04 -1.11 -2.84 117.51 114.58 3a4p h ILE 1130Ca 0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.09 3a4p h ILE 1130Cb 0.10 0.43 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 3a4p h ILE 1130CO -0.01 0.00 0.54 0.24 0.00 0.00 0.00 178.15 178.92 3a4p h MET 1131N -0.70 0.69 0.00 2.37 2.86 -0.21 0.31 114.93 120.26 3a4p h MET 1131Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3a4p h MET 1131Cb 0.57 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3a4p h MET 1131CO 0.06 0.46 0.00 0.87 1.06 0.00 0.00 176.91 179.36 3a4p h LYS 1132N 0.71 0.00 -0.02 1.72 1.79 -1.15 -2.10 116.57 117.52 3a4p h LYS 1132Ca 0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 3a4p h LYS 1132Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3a4p h LYS 1132CO -0.38 0.00 -0.14 -3.47 -1.08 0.00 0.00 179.45 174.38 3a4p n ASP 1133N -2.50 2.54 -3.25 0.86 -0.08 0.11 -4.38 116.55 109.85 3a4p n ASP 1133Ca -0.02 -1.77 -0.36 0.00 -1.51 0.00 0.00 54.79 51.13 3a4p n ASP 1133Cb 0.06 0.15 0.01 0.00 2.34 0.00 0.00 41.12 43.68 3a4p n ASP 1133CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3a4p n PHE 1134N 0.83 3.21 -3.36 -0.67 3.01 -0.79 -4.97 117.46 114.72 3a4p n PHE 1134Ca 0.11 -2.96 -0.39 0.00 1.01 0.00 0.00 57.45 55.23 3a4p n PHE 1134Cb 0.51 -0.92 -0.08 0.00 -0.01 0.00 0.00 39.48 38.99 3a4p n PHE 1134CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3a4p s SER 1135N -2.06 6.41 -0.22 4.37 1.04 -1.26 -4.62 113.70 117.36 3a4p s SER 1135Ca 0.44 0.48 -0.26 0.00 0.48 0.00 0.00 55.95 57.09 3a4p s SER 1135Cb 0.27 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 64.23 3a4p s SER 1135CO -0.18 -0.13 0.74 -2.28 0.98 0.00 0.00 173.24 172.37 3a4p s HIS 1136N 1.62 -0.72 0.63 5.02 5.04 -1.26 -5.04 115.29 120.57 3a4p s HIS 1136Ca 0.19 1.66 0.33 0.00 -1.54 0.00 0.00 55.06 55.69 3a4p s HIS 1136Cb -0.15 0.31 1.84 0.00 0.04 0.00 0.00 32.58 34.62 3a4p s HIS 1136CO 0.09 -0.42 2.12 -1.00 -2.34 0.00 0.00 174.74 173.19 3a4p h PRO 1137N 4.43 0.00 -0.59 2.88 0.13 -1.96 -0.74 132.00 136.16 3a4p h PRO 1137Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3a4p h PRO 1137Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3a4p h PRO 1137CO 0.14 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.00 3a4p n ASN 1138N -3.40 4.49 -4.23 1.44 4.13 -1.26 -4.64 115.26 111.79 3a4p n ASN 1138Ca -0.00 -2.44 -0.30 0.00 1.68 0.00 0.00 54.58 53.51 3a4p n ASN 1138Cb 0.28 -0.54 -0.16 0.00 -1.54 0.00 0.00 39.78 37.82 3a4p n ASN 1138CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3a4p s VAL 1139N -1.83 1.92 0.01 2.41 1.01 -0.28 0.73 120.40 124.37 3a4p s VAL 1139Ca 0.48 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3a4p s VAL 1139Cb 0.31 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 3a4p s VAL 1139CO 0.23 0.54 1.45 -0.22 0.00 0.00 0.00 175.10 177.09 3a4p s LEU 1140N -0.01 4.32 0.39 3.92 2.96 0.26 -4.47 118.68 126.04 3a4p s LEU 1140Ca -0.07 2.17 0.05 0.00 -0.22 0.00 0.00 54.13 56.07 3a4p s LEU 1140Cb -0.14 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 3a4p s LEU 1140CO 0.04 -0.76 0.55 -0.94 -1.32 0.00 0.00 176.35 173.92 3a4p s SER 1141N 2.03 5.84 -0.18 3.68 1.04 -1.26 -4.94 113.70 119.92 3a4p s SER 1141Ca 0.66 -0.13 -0.12 0.00 0.48 0.00 0.00 55.95 56.83 3a4p s SER 1141Cb -0.33 -1.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.59 3a4p s SER 1141CO 0.27 -0.59 0.23 -0.22 0.98 0.00 0.00 173.24 173.91 3a4p s LEU 1142N -4.32 4.23 -0.04 2.42 2.96 -1.26 -4.16 118.68 118.52 3a4p s LEU 1142Ca 0.48 0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 54.64 3a4p s LEU 1142Cb -0.10 -2.27 -0.09 0.00 0.50 0.00 0.00 46.19 44.24 3a4p s LEU 1142CO 0.33 0.13 0.65 -0.07 -1.32 0.00 0.00 176.35 176.07 3a4p h LEU 1143N 6.67 -0.46 0.00 -0.68 3.38 -1.41 -3.45 115.31 119.37 3a4p h LEU 1143Ca -0.41 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.72 3a4p h LEU 1143Cb 1.16 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3a4p h LEU 1143CO 0.76 -0.02 0.59 0.61 0.09 0.00 0.00 178.44 180.46 3a4p n GLY 1144N 0.38 0.60 3.61 0.83 0.00 -1.01 -4.90 105.19 104.70 3a4p n GLY 1144Ca -0.07 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3a4p n GLY 1144CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a4p s ILE 1145N -2.08 3.64 -0.23 -0.61 -4.36 -1.18 -0.59 121.20 115.78 3a4p s ILE 1145Ca 0.22 -0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 59.64 3a4p s ILE 1145Cb -0.02 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 41.05 3a4p s ILE 1145CO 0.05 0.26 -0.08 0.00 0.24 0.00 0.00 174.94 175.41 3a4p s LEU 1147N 1.36 5.69 -0.18 0.00 1.43 -1.26 -1.27 118.68 124.45 3a4p s LEU 1147Ca 0.03 -1.48 -0.06 0.00 -1.03 0.00 0.00 54.13 51.58 3a4p s LEU 1147Cb -0.15 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3a4p s LEU 1147CO -0.06 -0.68 0.04 -0.13 0.23 0.00 0.00 176.35 175.75 3a4p s ARG 1148N 1.59 3.85 0.55 1.70 1.81 -1.25 -4.70 118.95 122.50 3a4p s ARG 1148Ca 0.04 -0.41 0.27 0.00 -1.72 0.00 0.00 55.73 53.91 3a4p s ARG 1148Cb -0.25 -3.15 1.58 0.00 -0.45 0.00 0.00 34.95 32.68 3a4p s ARG 1148CO 0.05 0.20 2.16 0.77 -0.68 0.00 0.00 175.30 177.80 3a4p h SER 1149N 6.90 0.00 -2.14 0.23 0.02 -1.97 -3.37 113.55 113.23 3a4p h SER 1149Ca -0.35 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.96 3a4p h SER 1149Cb 1.17 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 3a4p h SER 1149CO 0.67 0.06 0.96 -0.70 -1.14 0.00 0.00 176.83 176.68 3a4p s GLU 1150N -4.47 3.41 0.27 3.45 2.12 -1.26 -4.91 118.70 117.31 3a4p s GLU 1150Ca -0.04 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.15 3a4p s GLU 1150Cb 0.14 -4.74 0.00 0.00 0.26 0.00 0.00 34.13 29.79 3a4p s GLU 1150CO 0.58 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 3a4p n GLY 1151N 5.79 2.32 3.31 -1.50 0.00 -1.26 -4.88 105.19 108.97 3a4p n GLY 1151Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3a4p n GLY 1151CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a4p s SER 1152N -4.00 2.12 -0.11 1.61 1.04 -1.26 -4.83 113.70 108.27 3a4p s SER 1152Ca 0.00 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.28 3a4p s SER 1152Cb 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 3a4p s SER 1152CO 0.00 -0.32 0.17 -2.16 0.98 0.00 0.00 173.24 171.92 3a4p s PRO 1153N -3.74 3.57 -0.17 4.02 0.04 -1.26 -3.95 135.00 133.50 3a4p s PRO 1153Ca 0.22 -0.07 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 3a4p s PRO 1153Cb 0.02 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 3a4p s PRO 1153CO 0.05 0.72 -0.12 -0.51 0.04 0.00 0.00 177.00 177.18 3a4p s LEU 1154N -0.91 2.59 -0.18 -3.56 1.43 -0.40 -3.02 118.68 114.64 3a4p s LEU 1154Ca 0.16 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.53 3a4p s LEU 1154Cb -0.12 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3a4p s LEU 1154CO 0.05 0.06 0.98 -0.69 0.23 0.00 0.00 176.35 176.97 3a4p s VAL 1155N 0.98 4.76 -0.29 -1.59 1.01 -0.27 -0.79 120.40 124.21 3a4p s VAL 1155Ca -0.02 1.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.83 3a4p s VAL 1155Cb -0.15 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3a4p s VAL 1155CO -0.02 -0.08 0.08 -0.69 0.00 0.00 0.00 175.10 174.40 3a4p s VAL 1156N 2.63 4.05 0.10 2.92 1.01 0.24 -0.95 120.40 130.39 3a4p s VAL 1156Ca 0.44 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.88 3a4p s VAL 1156Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3a4p s VAL 1156CO 0.11 0.11 -0.17 -0.76 0.00 0.00 0.00 175.10 174.38 3a4p s LEU 1157N 1.52 2.71 0.50 3.92 1.43 0.23 -1.01 118.68 127.98 3a4p s LEU 1157Ca 0.03 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 3a4p s LEU 1157Cb -0.17 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 3a4p s LEU 1157CO 0.03 0.19 1.32 -2.16 0.23 0.00 0.00 176.35 175.97 3a4p s PRO 1158N -2.01 3.41 -0.02 1.29 0.04 -1.26 -1.06 135.00 135.39 3a4p s PRO 1158Ca 0.18 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 3a4p s PRO 1158Cb -0.11 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3a4p s PRO 1158CO 0.09 -0.95 0.97 -0.47 0.04 0.00 0.00 177.00 176.68 3a4p s TYR 1159N -1.33 3.63 -0.62 0.56 6.14 -1.23 -4.45 117.35 120.05 3a4p s TYR 1159Ca 0.67 1.65 -0.11 0.00 0.64 0.00 0.00 57.07 59.93 3a4p s TYR 1159Cb -0.38 -3.11 0.16 0.00 0.42 0.00 0.00 41.96 39.04 3a4p s TYR 1159CO 0.46 -0.04 0.52 -1.64 0.64 0.00 0.00 175.55 175.49 3a4p s MET 1160N 1.17 2.94 0.28 4.97 -1.94 -1.26 -4.88 119.30 120.57 3a4p s MET 1160Ca 0.51 -2.10 -0.04 0.00 -1.71 0.00 0.00 55.69 52.35 3a4p s MET 1160Cb -0.20 -4.12 0.57 0.00 2.01 0.00 0.00 34.83 33.08 3a4p s MET 1160CO 0.26 -1.25 1.58 -0.22 -0.01 0.00 0.00 175.02 175.38 3a4p h LYS 1161N 8.10 0.01 -0.24 2.03 3.64 -1.85 0.59 116.57 128.85 3a4p h LYS 1161Ca -0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3a4p h LYS 1161Cb 1.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3a4p h LYS 1161CO 0.84 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 178.75 3a4p n HIS 1162N -5.53 0.31 -4.65 1.91 8.25 -0.68 -4.99 115.22 109.84 3a4p n HIS 1162Ca 0.18 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3a4p n HIS 1162Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 3a4p n HIS 1162CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a4p n GLY 1163N 1.19 0.96 3.77 -1.41 0.00 0.20 -4.62 105.19 105.27 3a4p n GLY 1163Ca 0.16 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3a4p n GLY 1163CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3a4p s ASP 1164N -4.00 6.71 0.27 1.61 1.47 -1.26 -2.01 116.67 119.45 3a4p s ASP 1164Ca 0.00 2.42 -0.01 0.00 1.18 0.00 0.00 52.55 56.14 3a4p s ASP 1164Cb 0.00 -2.63 0.58 0.00 -0.34 0.00 0.00 42.92 40.54 3a4p s ASP 1164CO 0.00 -0.55 1.71 0.25 0.68 0.00 0.00 175.17 177.26 3a4p h LEU 1165N 3.02 0.28 -0.15 2.11 5.85 -1.07 -1.78 115.31 123.57 3a4p h LEU 1165Ca -0.48 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3a4p h LEU 1165Cb 1.23 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 3a4p h LEU 1165CO 0.64 0.05 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.63 3a4p h ARG 1166N 0.42 -0.05 -0.16 1.25 2.43 -1.81 -2.17 114.38 114.29 3a4p h ARG 1166Ca 0.48 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.55 3a4p h ARG 1166Cb 0.82 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3a4p h ARG 1166CO -0.47 -0.04 -0.36 -0.91 -1.51 0.00 0.00 179.97 176.69 3a4p h ASN 1167N -0.05 0.34 0.30 -3.80 2.35 -1.88 -1.97 115.58 110.87 3a4p h ASN 1167Ca 0.08 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3a4p h ASN 1167Cb 0.18 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3a4p h ASN 1167CO -0.18 0.68 -0.16 0.15 -1.65 0.00 0.00 177.43 176.26 3a4p h PHE 1168N 0.28 -0.41 0.00 1.19 3.04 -1.08 -1.72 116.94 118.24 3a4p h PHE 1168Ca 0.03 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 3a4p h PHE 1168Cb 0.76 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 3a4p h PHE 1168CO 0.02 -0.25 -0.31 -0.84 -2.02 0.00 0.00 178.31 174.90 3a4p h ILE 1169N -0.43 1.12 0.00 1.41 3.07 -1.45 -2.97 117.51 118.27 3a4p h ILE 1169Ca -0.04 -1.10 -0.09 0.00 1.55 0.00 0.00 64.86 65.18 3a4p h ILE 1169Cb 0.34 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 38.49 3a4p h ILE 1169CO 0.06 0.31 -0.44 0.03 -1.05 0.00 0.00 178.15 177.05 3a4p h ARG 1170N 0.00 0.00 -6.38 0.16 3.08 -1.21 -3.45 114.38 106.58 3a4p h ARG 1170Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3a4p h ARG 1170Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.66 3a4p h ARG 1170CO 0.04 0.44 1.22 -1.71 -1.07 0.00 0.00 179.97 178.89 3a4p n ASN 1171N -3.97 4.16 -0.21 7.04 2.85 -0.66 -4.85 115.26 119.61 3a4p n ASN 1171Ca -0.02 0.91 0.05 0.00 -0.11 0.00 0.00 54.58 55.42 3a4p n ASN 1171Cb 0.47 -1.53 0.23 0.00 1.24 0.00 0.00 39.78 40.19 3a4p n ASN 1171CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3a4p n GLU 1172N 7.28 1.27 0.02 1.20 0.00 -1.26 -2.63 120.64 126.52 3a4p n GLU 1172Ca 0.20 -0.42 0.11 0.00 0.00 0.00 0.00 57.16 57.05 3a4p n GLU 1172Cb 0.40 -1.19 0.00 0.00 0.00 0.00 0.00 31.44 30.66 3a4p n GLU 1172CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3a4p n THR 1173N -0.24 0.11 -3.87 3.84 -1.04 -1.26 -4.92 114.28 106.89 3a4p n THR 1173Ca 0.08 -0.19 -0.32 0.00 -2.04 0.00 0.00 64.05 61.58 3a4p n THR 1173Cb 0.12 0.35 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 3a4p n THR 1173CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3a4p s HIS 1174N -3.16 3.53 -0.56 -1.42 3.76 -1.08 -5.07 115.29 111.28 3a4p s HIS 1174Ca 0.04 0.35 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 3a4p s HIS 1174Cb 0.15 -1.83 0.32 0.00 1.11 0.00 0.00 32.58 32.33 3a4p s HIS 1174CO 0.81 0.59 0.87 0.09 -0.85 0.00 0.00 174.74 176.25 3a4p n ASN 1175N 0.51 3.81 -4.80 1.40 3.02 -1.26 -4.98 115.26 112.95 3a4p n ASN 1175Ca -0.07 -3.53 -0.31 0.00 -0.03 0.00 0.00 54.58 50.64 3a4p n ASN 1175Cb 0.52 -0.59 0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3a4p n ASN 1175CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3a4p s PRO 1176N -3.07 2.69 0.42 3.52 0.04 -1.26 -4.78 135.00 132.55 3a4p s PRO 1176Ca 0.46 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.59 3a4p s PRO 1176Cb 0.25 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 3a4p s PRO 1176CO -0.10 -1.30 0.45 0.95 0.04 0.00 0.00 177.00 177.04 3a4p s THR 1177N -3.00 2.75 0.18 1.26 -4.23 -1.26 -1.15 115.64 110.19 3a4p s THR 1177Ca 0.59 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 3a4p s THR 1177Cb -0.15 -2.98 0.12 0.00 1.34 0.00 0.00 72.50 70.83 3a4p s THR 1177CO 0.55 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.91 3a4p h VAL 1178N 0.89 0.65 -0.54 2.29 2.07 -1.29 -2.42 116.25 117.89 3a4p h VAL 1178Ca -0.41 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3a4p h VAL 1178Cb 1.27 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 3a4p h VAL 1178CO 0.53 0.03 -0.38 0.50 0.02 0.00 0.00 177.57 178.27 3a4p h LYS 1179N 0.14 -0.21 -0.42 1.57 3.64 -1.90 -1.55 116.57 117.85 3a4p h LYS 1179Ca 0.24 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 3a4p h LYS 1179Cb 0.36 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 3a4p h LYS 1179CO -0.38 -0.14 0.07 -0.44 -2.27 0.00 0.00 179.45 176.29 3a4p h ASP 1180N -0.21 -0.03 -0.72 4.20 3.45 -1.87 -0.73 116.42 120.50 3a4p h ASP 1180Ca 0.20 0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 3a4p h ASP 1180Cb 0.56 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 3a4p h ASP 1180CO -0.65 0.02 0.24 -0.07 -1.57 0.00 0.00 179.24 177.21 3a4p h LEU 1181N 0.19 1.03 -0.45 1.55 3.38 -1.15 0.11 115.31 119.97 3a4p h LEU 1181Ca 0.21 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3a4p h LEU 1181Cb 0.27 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3a4p h LEU 1181CO -0.29 0.96 -0.52 0.40 0.09 0.00 0.00 178.44 179.08 3a4p h ILE 1182N 1.05 1.30 -0.52 1.22 2.04 -1.22 -1.78 117.51 119.61 3a4p h ILE 1182Ca 0.23 -1.73 0.08 0.00 1.00 0.00 0.00 64.86 64.44 3a4p h ILE 1182Cb 0.28 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 3a4p h ILE 1182CO -0.01 0.55 0.17 1.23 0.00 0.00 0.00 178.15 180.09 3a4p h GLY 1183N 0.91 0.68 1.00 5.37 0.00 -0.72 0.43 103.07 110.75 3a4p h GLY 1183Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3a4p h GLY 1183CO 0.11 -0.02 0.42 0.74 0.00 0.00 0.00 176.54 177.79 3a4p h PHE 1184N 0.33 0.93 -0.47 5.60 0.04 -0.53 -0.44 116.94 122.40 3a4p h PHE 1184Ca 0.25 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 3a4p h PHE 1184Cb 0.30 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 3a4p h PHE 1184CO -0.18 0.64 0.24 0.78 -0.60 0.00 0.00 178.31 179.18 3a4p h GLY 1185N 0.96 0.70 0.61 -1.45 0.00 -0.42 -1.89 103.07 101.59 3a4p h GLY 1185Ca 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3a4p h GLY 1185CO -0.05 0.30 -0.24 -2.00 0.00 0.00 0.00 176.54 174.55 3a4p h LEU 1186N 0.66 0.31 -1.18 3.11 5.85 0.54 -1.96 115.31 122.64 3a4p h LEU 1186Ca 0.17 -0.64 0.11 0.00 0.84 0.00 0.00 57.88 58.35 3a4p h LEU 1186Cb 0.06 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3a4p h LEU 1186CO -0.02 0.90 0.59 1.56 -0.34 0.00 0.00 178.44 181.12 3a4p h GLN 1187N -0.26 0.85 -0.08 1.25 4.20 -0.78 -1.50 115.11 118.80 3a4p h GLN 1187Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3a4p h GLN 1187Cb 0.88 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 3a4p h GLN 1187CO 0.05 0.57 0.00 0.28 -0.67 0.00 0.00 178.83 179.06 3a4p h VAL 1188N 0.88 1.24 -0.97 -0.54 2.07 -1.23 -2.44 116.25 115.26 3a4p h VAL 1188Ca 0.43 -0.76 0.26 0.00 0.82 0.00 0.00 66.70 67.44 3a4p h VAL 1188Cb 0.46 1.60 -0.13 0.00 -1.52 0.00 0.00 31.29 31.70 3a4p h VAL 1188CO -0.19 0.21 0.53 0.00 0.02 0.00 0.00 177.57 178.14 3a4p h ALA 1189N 0.74 1.72 -0.20 1.67 0.00 -0.94 0.44 119.26 122.69 3a4p h ALA 1189Ca 0.02 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3a4p h ALA 1189Cb 0.33 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a4p h ALA 1189CO 0.00 -0.37 -0.28 0.87 0.00 0.00 0.00 179.25 179.48 3a4p h LYS 1190N 0.46 0.54 -0.35 0.00 1.57 -1.23 -1.63 116.57 115.94 3a4p h LYS 1190Ca 0.64 -0.31 0.06 0.00 -1.87 0.00 0.00 60.65 59.17 3a4p h LYS 1190Cb 1.29 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.57 3a4p h LYS 1190CO -0.53 0.91 0.01 0.78 -0.57 0.00 0.00 179.45 180.05 3a4p h GLY 1191N 0.21 0.35 1.09 3.86 0.00 -0.86 -1.46 103.07 106.25 3a4p h GLY 1191Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3a4p h GLY 1191CO 0.06 -0.08 0.20 -0.33 0.00 0.00 0.00 176.54 176.40 3a4p h MET 1192N 0.11 1.14 -0.57 4.80 2.86 -0.95 0.10 114.93 122.42 3a4p h MET 1192Ca 0.17 -0.25 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3a4p h MET 1192Cb 0.23 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 3a4p h MET 1192CO -0.28 0.98 0.18 -0.22 1.06 0.00 0.00 176.91 178.63 3a4p h LYS 1193N 1.08 0.34 -0.05 1.72 3.64 -1.21 0.52 116.57 122.61 3a4p h LYS 1193Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3a4p h LYS 1193Cb 0.33 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3a4p h LYS 1193CO -0.00 0.22 0.03 0.35 -2.27 0.00 0.00 179.45 177.78 3a4p h PHE 1194N 0.35 0.06 0.03 1.91 3.04 -0.52 -1.84 116.94 119.97 3a4p h PHE 1194Ca 0.28 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 3a4p h PHE 1194Cb 0.36 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.85 3a4p h PHE 1194CO -0.19 0.06 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.08 3a4p h LEU 1195N 0.04 -0.03 -1.28 0.59 3.38 -0.53 -2.69 115.31 114.79 3a4p h LEU 1195Ca 0.02 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3a4p h LEU 1195Cb 0.02 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3a4p h LEU 1195CO -0.00 0.06 0.54 0.00 0.09 0.00 0.00 178.44 179.13 3a4p h ALA 1196N 0.84 1.69 0.00 1.53 0.00 0.01 -1.14 119.26 122.20 3a4p h ALA 1196Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3a4p h ALA 1196Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a4p h ALA 1196CO 0.01 0.14 -0.24 0.66 0.00 0.00 0.00 179.25 179.82 3a4p h SER 1197N 0.81 0.00 -0.13 0.00 4.64 -1.02 0.87 113.55 118.72 3a4p h SER 1197Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3a4p h SER 1197Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3a4p h SER 1197CO -0.15 0.24 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 3a4p n LYS 1198N -3.41 1.37 -1.89 4.77 4.76 -0.51 -4.92 118.16 118.33 3a4p n LYS 1198Ca 0.00 -0.56 -0.11 0.00 -2.87 0.00 0.00 58.31 54.77 3a4p n LYS 1198Cb 0.44 -1.23 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 3a4p n LYS 1198CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3a4p n LYS 1199N -0.13 -0.82 -3.96 1.97 4.76 0.30 -4.99 118.16 115.29 3a4p n LYS 1199Ca 0.10 0.65 -0.35 0.00 -2.87 0.00 0.00 58.31 55.84 3a4p n LYS 1199Cb 0.16 -4.69 -0.10 0.00 -1.84 0.00 0.00 35.03 28.57 3a4p n LYS 1199CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3a4p s PHE 1200N -2.49 3.26 -0.25 2.13 2.19 -0.73 -5.00 117.98 117.10 3a4p s PHE 1200Ca 0.00 0.08 -0.06 0.00 0.33 0.00 0.00 56.93 57.28 3a4p s PHE 1200Cb 0.00 -2.10 -0.02 0.00 -1.31 0.00 0.00 43.02 39.59 3a4p s PHE 1200CO 0.00 0.14 0.04 0.08 1.83 0.00 0.00 175.22 177.31 3a4p s VAL 1201N 0.45 3.97 0.03 3.12 1.01 -1.26 -3.90 120.40 123.82 3a4p s VAL 1201Ca 0.04 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 3a4p s VAL 1201Cb -0.12 -2.87 -0.15 0.00 0.00 0.00 0.00 36.38 33.24 3a4p s VAL 1201CO 0.00 0.33 1.41 -0.74 0.00 0.00 0.00 175.10 176.10 3a4p h HIS 1202N 8.20 0.23 0.00 5.22 2.76 -1.98 -3.47 115.15 126.11 3a4p h HIS 1202Ca -0.38 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 3a4p h HIS 1202Cb 1.16 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3a4p h HIS 1202CO 0.64 0.52 0.00 0.54 -1.30 0.00 0.00 177.93 178.33 3a4p n ARG 1203N -4.75 0.00 -2.71 5.26 1.74 -1.26 -4.75 116.66 110.19 3a4p n ARG 1203Ca -0.06 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 3a4p n ARG 1203Cb 0.25 -1.20 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 3a4p n ARG 1203CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a4p n ASP 1204N 0.00 1.07 -4.72 0.55 4.64 -1.26 -4.99 116.55 111.84 3a4p n ASP 1204Ca 0.00 -2.72 -0.41 0.00 -1.38 0.00 0.00 54.79 50.28 3a4p n ASP 1204Cb 0.00 -0.38 -0.04 0.00 -1.04 0.00 0.00 41.12 39.66 3a4p n ASP 1204CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3a4p s LEU 1205N -3.06 4.37 -0.26 -2.67 2.96 -1.26 -4.87 118.68 113.89 3a4p s LEU 1205Ca 0.28 1.50 -0.28 0.00 -0.22 0.00 0.00 54.13 55.41 3a4p s LEU 1205Cb 0.44 -3.39 0.16 0.00 0.50 0.00 0.00 46.19 43.91 3a4p s LEU 1205CO 0.02 -0.18 1.23 0.00 -1.32 0.00 0.00 176.35 176.11 3a4p s ALA 1206N 0.77 -2.08 0.27 5.97 0.00 -1.26 -4.72 121.76 120.72 3a4p s ALA 1206Ca 0.46 1.76 0.01 0.00 0.00 0.00 0.00 51.96 54.18 3a4p s ALA 1206Cb -0.20 -1.38 0.61 0.00 0.00 0.00 0.00 23.12 22.15 3a4p s ALA 1206CO 0.25 -0.22 1.74 0.00 0.00 0.00 0.00 175.76 177.53 3a4p h ALA 1207N 2.86 1.34 -0.06 0.00 0.00 -1.93 0.02 119.26 121.48 3a4p h ALA 1207Ca -0.19 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3a4p h ALA 1207Cb 1.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a4p h ALA 1207CO 0.21 -0.18 0.07 0.07 0.00 0.00 0.00 179.25 179.43 3a4p h ARG 1208N 0.55 0.00 -0.61 0.00 0.11 -1.94 -1.37 114.38 111.12 3a4p h ARG 1208Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3a4p h ARG 1208Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 3a4p h ARG 1208CO -0.42 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.74 3a4p n ASN 1209N -3.84 5.09 -4.41 0.08 3.02 -0.01 -4.76 115.26 110.42 3a4p n ASN 1209Ca -0.01 -2.63 -0.32 0.00 -0.03 0.00 0.00 54.58 51.58 3a4p n ASN 1209Cb 0.17 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.58 3a4p n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a4p s MET 1211N -0.66 2.33 -0.06 0.00 -1.94 0.95 -0.87 119.30 119.05 3a4p s MET 1211Ca 0.10 -1.60 -0.02 0.00 -1.71 0.00 0.00 55.69 52.46 3a4p s MET 1211Cb -0.11 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.63 3a4p s MET 1211CO 0.00 0.09 0.06 -1.17 -0.01 0.00 0.00 175.02 173.99 3a4p s LEU 1212N -3.84 0.21 0.00 -0.03 2.96 -0.85 -0.16 118.68 116.97 3a4p s LEU 1212Ca 0.38 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.27 3a4p s LEU 1212Cb -0.02 -0.18 0.04 0.00 0.50 0.00 0.00 46.19 46.53 3a4p s LEU 1212CO 0.22 -0.26 0.29 -0.90 -1.32 0.00 0.00 176.35 174.39 3a4p n ASP 1213N 5.28 0.36 0.21 3.68 3.85 -0.27 -1.69 116.55 127.97 3a4p n ASP 1213Ca -0.04 -1.31 0.13 0.00 -0.71 0.00 0.00 54.79 52.85 3a4p n ASP 1213Cb 0.50 -0.19 0.71 0.00 -1.35 0.00 0.00 41.12 40.79 3a4p n ASP 1213CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3a4p h GLU 1214N 0.00 0.00 -0.64 0.11 9.09 -1.90 -2.00 114.58 119.24 3a4p h GLU 1214Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.31 3a4p h GLU 1214Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3a4p h GLU 1214CO 0.10 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.79 3a4p n LYS 1215N -4.32 3.35 -2.64 1.06 5.02 -1.26 -4.91 118.16 114.46 3a4p n LYS 1215Ca 0.00 -2.49 -0.19 0.00 -2.02 0.00 0.00 58.31 53.61 3a4p n LYS 1215Cb 0.22 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 3a4p n LYS 1215CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3a4p n PHE 1216N 0.98 -1.41 -2.63 2.13 3.72 -0.75 -4.99 117.46 114.52 3a4p n PHE 1216Ca 0.23 0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 57.37 3a4p n PHE 1216Cb 0.78 -3.70 -0.03 0.00 -0.94 0.00 0.00 39.48 35.59 3a4p n PHE 1216CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3a4p s THR 1217N -2.96 4.65 -0.11 4.37 2.01 -1.26 -4.81 115.64 117.53 3a4p s THR 1217Ca 0.11 1.91 -0.23 0.00 0.31 0.00 0.00 61.69 63.79 3a4p s THR 1217Cb -0.05 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 3a4p s THR 1217CO 0.13 0.10 0.70 -0.69 -0.69 0.00 0.00 174.62 174.17 3a4p s VAL 1218N 1.39 5.03 -0.22 3.82 1.01 -1.26 -1.12 120.40 129.05 3a4p s VAL 1218Ca 0.53 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 3a4p s VAL 1218Cb -0.22 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.15 3a4p s VAL 1218CO 0.25 0.20 -0.09 -0.54 0.00 0.00 0.00 175.10 174.91 3a4p s LYS 1219N 1.18 3.00 0.20 2.72 -0.14 0.78 -4.25 119.74 123.23 3a4p s LYS 1219Ca 0.35 -0.86 -0.32 0.00 -1.36 0.00 0.00 55.97 53.79 3a4p s LYS 1219Cb -0.17 -2.88 -0.11 0.00 -1.68 0.00 0.00 37.83 32.99 3a4p s LYS 1219CO 0.15 -0.30 1.66 0.08 -0.76 0.00 0.00 175.35 176.19 3a4p s VAL 1220N 1.35 2.22 0.00 3.17 1.01 0.22 -0.04 120.40 128.33 3a4p s VAL 1220Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3a4p s VAL 1220Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3a4p s VAL 1220CO -0.06 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.05 3a4p n ALA 1221N 3.81 0.00 -3.03 5.51 0.00 -0.48 -0.57 120.51 125.75 3a4p n ALA 1221Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 3a4p n ALA 1221Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.86 3a4p n ALA 1221CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3a4p n ASP 1222N -1.32 -3.89 -4.12 0.00 2.03 -1.26 -4.84 116.55 103.16 3a4p n ASP 1222Ca 0.00 -0.30 -0.09 0.00 0.52 0.00 0.00 54.79 54.92 3a4p n ASP 1222Cb 0.00 -2.99 -0.10 0.00 -0.72 0.00 0.00 41.12 37.31 3a4p n ASP 1222CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3a4p s PHE 1223N -3.18 0.73 0.00 -0.67 -0.71 -1.26 -4.30 117.98 108.59 3a4p s PHE 1223Ca 0.25 -1.15 0.00 0.00 -1.04 0.00 0.00 56.93 54.99 3a4p s PHE 1223Cb -0.11 -0.42 0.00 0.00 -1.21 0.00 0.00 43.02 41.28 3a4p s PHE 1223CO 0.40 -0.50 0.00 0.41 -1.34 0.00 0.00 175.22 174.19 3a4p n GLY 1224N -0.05 1.73 0.00 1.99 0.00 -1.26 -2.88 105.19 104.72 3a4p n GLY 1224Ca -0.08 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.52 3a4p n GLY 1224CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a4p n LEU 1225N 0.00 0.00 -0.00 0.99 4.77 -1.26 -2.96 117.00 118.54 3a4p n LEU 1225Ca 0.00 0.49 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 3a4p n LEU 1225Cb 0.00 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.47 3a4p n LEU 1225CO 0.00 -0.13 -0.15 0.00 -1.33 0.00 0.00 177.39 175.77 3a4p n ALA 1226N -1.49 4.37 -1.50 -1.18 0.00 -1.14 -4.95 120.51 114.61 3a4p n ALA 1226Ca 0.05 -0.56 -0.60 0.00 0.00 0.00 0.00 53.44 52.33 3a4p n ALA 1226Cb 0.25 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 3a4p n ALA 1226CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3a4p n ARG 1227N -1.59 0.45 -3.24 0.00 3.00 -1.15 -4.56 116.66 109.56 3a4p n ARG 1227Ca 0.03 0.14 -0.07 0.00 -0.00 0.00 0.00 57.85 57.95 3a4p n ARG 1227Cb 0.35 -1.81 0.02 0.00 0.00 0.00 0.00 32.46 31.02 3a4p n ARG 1227CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3a4p n ASP 1228N 6.70 -1.81 -4.23 6.15 4.64 -1.26 -4.95 116.55 121.79 3a4p n ASP 1228Ca 0.41 -2.23 -0.36 0.00 -1.38 0.00 0.00 54.79 51.24 3a4p n ASP 1228Cb 0.04 3.00 -0.14 0.00 -1.04 0.00 0.00 41.12 42.99 3a4p n ASP 1228CO 0.00 0.00 0.00 -0.32 -0.82 0.00 0.00 177.20 176.06 3a4p s MET 1229N -2.07 2.76 -0.22 -0.67 1.75 -1.26 -4.99 119.30 114.59 3a4p s MET 1229Ca 0.13 -1.05 0.11 0.00 -1.25 0.00 0.00 55.69 53.63 3a4p s MET 1229Cb -0.04 -3.18 -0.21 0.00 2.84 0.00 0.00 34.83 34.24 3a4p s MET 1229CO 0.09 -0.50 -0.06 0.66 -0.65 0.00 0.00 175.02 174.56 3a4p n TYR 1230N 4.72 0.00 -1.49 4.11 4.02 -1.26 -4.05 117.16 123.21 3a4p n TYR 1230Ca -0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.32 3a4p n TYR 1230Cb 0.46 -0.98 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 3a4p n TYR 1230CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3a4p n ASP 1231N -2.96 -0.36 -1.37 7.72 9.92 -1.26 -4.72 116.55 123.52 3a4p n ASP 1231Ca -0.38 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 3a4p n ASP 1231Cb 1.07 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 3a4p n ASP 1231CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3a4p n LYS 1232N 0.55 0.11 0.00 -1.24 0.00 -1.26 -5.12 118.16 111.20 3a4p n LYS 1232Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 3a4p n LYS 1232Cb 0.38 -1.45 0.00 0.00 -0.00 0.00 0.00 35.03 33.96 3a4p n LYS 1232CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a4p n ALA 1243N 1.34 0.11 0.25 0.58 0.00 -1.26 -5.28 120.51 116.25 3a4p n ALA 1243Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3a4p n ALA 1243Cb 0.05 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.20 3a4p n ALA 1243CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3a4p h LYS 1244N 0.00 0.00 -5.23 0.00 2.10 -2.05 -3.40 116.57 107.98 3a4p h LYS 1244Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 3a4p h LYS 1244Cb 0.00 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.17 3a4p h LYS 1244CO 0.00 0.00 -0.56 -0.51 -2.00 0.00 0.00 179.45 176.38 3a4p s LEU 1245N -4.94 3.81 -1.30 7.07 1.43 -1.26 -5.05 118.68 118.44 3a4p s LEU 1245Ca -0.01 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 3a4p s LEU 1245Cb 0.08 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.41 3a4p s LEU 1245CO 0.30 0.15 1.74 -0.81 0.23 0.00 0.00 176.35 177.96 3a4p n PRO 1246N 3.72 3.20 0.18 1.29 -0.04 -1.26 -4.80 135.00 137.29 3a4p n PRO 1246Ca -0.16 -3.30 0.04 0.00 -0.04 0.00 0.00 63.50 60.04 3a4p n PRO 1246Cb 0.52 -3.43 0.44 0.00 -0.04 0.00 0.00 33.50 30.99 3a4p n PRO 1246CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3a4p h VAL 1247N 5.35 1.17 0.00 0.52 -1.51 -1.93 -2.05 116.25 117.79 3a4p h VAL 1247Ca 0.44 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3a4p h VAL 1247Cb 0.85 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3a4p h VAL 1247CO 1.47 0.23 0.00 0.29 -1.23 0.00 0.00 177.57 178.33 3a4p n LYS 1248N -4.27 0.21 0.00 5.19 5.02 -1.26 -2.30 118.16 120.74 3a4p n LYS 1248Ca -0.02 0.41 0.07 0.00 -2.02 0.00 0.00 58.31 56.76 3a4p n LYS 1248Cb 0.28 -1.88 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 3a4p n LYS 1248CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3a4p n TRP 1249N -2.27 0.00 -2.92 2.13 8.01 -0.78 -4.98 117.44 116.63 3a4p n TRP 1249Ca 0.02 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.81 3a4p n TRP 1249Cb 0.25 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.50 3a4p n TRP 1249CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3a4p s MET 1250N -2.10 4.55 0.68 -0.99 -1.94 -0.97 -3.53 119.30 115.00 3a4p s MET 1250Ca 0.09 1.16 -0.17 0.00 -1.71 0.00 0.00 55.69 55.06 3a4p s MET 1250Cb 0.12 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.60 3a4p s MET 1250CO 0.49 0.29 1.20 0.00 -0.01 0.00 0.00 175.02 176.99 3a4p n ALA 1251N 2.71 0.69 -0.26 3.03 0.00 -1.26 -4.82 120.51 120.61 3a4p n ALA 1251Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.41 3a4p n ALA 1251Cb 0.50 -2.26 0.16 0.00 0.00 0.00 0.00 19.45 17.85 3a4p n ALA 1251CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a4p h LEU 1252N 0.21 -0.30 -0.76 0.00 5.85 -1.94 -1.51 115.31 116.85 3a4p h LEU 1252Ca -0.50 0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.29 3a4p h LEU 1252Cb 1.34 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 3a4p h LEU 1252CO 0.51 -0.17 -0.60 1.05 -0.34 0.00 0.00 178.44 178.90 3a4p h GLU 1253N 0.12 0.00 -0.37 1.25 9.09 -1.92 -2.00 114.58 120.75 3a4p h GLU 1253Ca 0.42 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.72 3a4p h GLU 1253Cb 0.74 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.83 3a4p h GLU 1253CO -0.65 0.60 -0.22 0.77 0.05 0.00 0.00 179.01 179.56 3a4p h SER 1254N 0.00 0.73 -0.38 3.06 0.02 -1.44 -0.30 113.55 115.24 3a4p h SER 1254Ca -0.01 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 3a4p h SER 1254Cb 1.09 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 3a4p h SER 1254CO 0.08 0.94 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.47 3a4p h LEU 1255N 0.63 0.87 0.00 5.07 3.38 -1.10 0.39 115.31 124.54 3a4p h LEU 1255Ca 0.09 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.56 3a4p h LEU 1255Cb 0.71 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3a4p h LEU 1255CO 0.05 1.03 -1.10 1.56 0.09 0.00 0.00 178.44 180.07 3a4p h GLN 1256N 0.76 0.00 0.00 1.13 4.20 -1.13 -3.39 115.11 116.68 3a4p h GLN 1256Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3a4p h GLN 1256Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3a4p h GLN 1256CO 0.05 0.77 -0.20 0.25 -0.67 0.00 0.00 178.83 179.03 3a4p n THR 1257N -3.24 0.00 -1.45 -0.54 -2.24 -0.14 -5.01 114.28 101.66 3a4p n THR 1257Ca -0.04 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 3a4p n THR 1257Cb 0.93 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 3a4p n THR 1257CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3a4p n GLN 1258N -0.93 -0.85 -4.92 -0.78 7.27 0.14 -5.01 117.38 112.30 3a4p n GLN 1258Ca 0.00 0.89 -0.33 0.00 0.07 0.00 0.00 57.00 57.63 3a4p n GLN 1258Cb 0.00 -4.92 -0.14 0.00 2.41 0.00 0.00 30.24 27.59 3a4p n GLN 1258CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3a4p s LYS 1259N -3.19 2.84 -0.03 3.69 1.02 -1.26 -5.01 119.74 117.80 3a4p s LYS 1259Ca 0.00 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.30 3a4p s LYS 1259Cb 0.00 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3a4p s LYS 1259CO 0.00 0.43 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.66 3a4p s PHE 1260N -0.22 2.71 0.19 3.18 0.08 -1.26 -3.98 117.98 118.67 3a4p s PHE 1260Ca 0.00 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.85 3a4p s PHE 1260Cb -0.13 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 3a4p s PHE 1260CO 0.03 0.23 0.22 0.95 -0.10 0.00 0.00 175.22 176.54 3a4p s THR 1261N -0.80 0.03 0.39 0.64 -4.23 -1.26 -4.99 115.64 105.42 3a4p s THR 1261Ca 0.13 -1.75 0.22 0.00 -1.18 0.00 0.00 61.69 59.10 3a4p s THR 1261Cb -0.11 -2.24 0.40 0.00 1.34 0.00 0.00 72.50 71.89 3a4p s THR 1261CO 0.02 -0.14 1.65 0.74 -0.54 0.00 0.00 174.62 176.35 3a4p h THR 1262N 2.58 0.21 0.00 3.99 2.02 -1.97 0.20 112.91 119.93 3a4p h THR 1262Ca -0.33 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3a4p h THR 1262Cb 1.24 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3a4p h THR 1262CO 0.50 0.03 -0.03 0.11 0.37 0.00 0.00 175.52 176.51 3a4p h LYS 1263N 0.19 0.00 0.00 6.66 1.79 -1.95 -1.01 116.57 122.25 3a4p h LYS 1263Ca 0.77 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 59.03 3a4p h LYS 1263Cb 2.09 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.71 3a4p h LYS 1263CO -0.52 0.03 -1.11 0.66 -1.08 0.00 0.00 179.45 177.42 3a4p h SER 1264N 0.00 0.00 -0.18 0.86 4.64 -1.04 -2.99 113.55 114.84 3a4p h SER 1264Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3a4p h SER 1264Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3a4p h SER 1264CO 0.00 0.92 0.01 0.44 -0.87 0.00 0.00 176.83 177.34 3a4p h ASP 1265N 0.00 0.39 -0.20 4.97 3.45 -0.63 -2.53 116.42 121.87 3a4p h ASP 1265Ca -0.08 -0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.29 3a4p h ASP 1265Cb 1.77 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 40.43 3a4p h ASP 1265CO 0.11 0.45 -0.02 0.58 -1.57 0.00 0.00 179.24 178.79 3a4p h VAL 1266N 0.41 1.27 -0.39 -1.35 2.07 -1.17 0.15 116.25 117.25 3a4p h VAL 1266Ca 0.09 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3a4p h VAL 1266Cb 0.26 1.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3a4p h VAL 1266CO 0.01 0.28 -0.35 -0.25 0.02 0.00 0.00 177.57 177.28 3a4p h TRP 1267N 0.10 -0.99 -0.82 1.57 2.91 -1.47 -0.54 115.95 116.72 3a4p h TRP 1267Ca 0.05 0.06 0.05 0.00 1.13 0.00 0.00 58.89 60.18 3a4p h TRP 1267Cb 0.43 0.49 -0.06 0.00 -0.51 0.00 0.00 29.16 29.51 3a4p h TRP 1267CO 0.04 -0.40 0.51 0.77 -1.03 0.00 0.00 178.44 178.33 3a4p h SER 1268N -0.28 0.82 -0.52 2.65 0.02 -1.04 -1.38 113.55 113.82 3a4p h SER 1268Ca 0.16 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3a4p h SER 1268Cb 0.55 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3a4p h SER 1268CO -0.54 0.54 0.27 0.15 -1.14 0.00 0.00 176.83 176.11 3a4p h PHE 1269N 0.95 0.49 -0.53 3.45 3.57 0.01 0.15 116.94 125.04 3a4p h PHE 1269Ca 0.35 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.97 3a4p h PHE 1269Cb 0.11 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 38.61 3a4p h PHE 1269CO -0.03 0.24 -0.12 0.78 -2.23 0.00 0.00 178.31 176.95 3a4p h GLY 1270N 0.52 0.40 0.89 2.40 0.00 -0.03 -0.22 103.07 107.02 3a4p h GLY 1270Ca 0.23 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.75 3a4p h GLY 1270CO -0.15 -0.20 0.50 -2.08 0.00 0.00 0.00 176.54 174.61 3a4p h VAL 1271N 0.01 1.13 -0.44 4.60 2.07 -0.74 -2.02 116.25 120.86 3a4p h VAL 1271Ca 0.26 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3a4p h VAL 1271Cb 0.39 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 3a4p h VAL 1271CO -0.54 0.18 -0.28 0.25 0.02 0.00 0.00 177.57 177.20 3a4p h LEU 1272N 0.99 -0.93 -1.45 2.57 6.46 0.02 -1.71 115.31 121.25 3a4p h LEU 1272Ca 0.31 0.19 0.05 0.00 -0.12 0.00 0.00 57.88 58.30 3a4p h LEU 1272Cb 0.00 0.47 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 3a4p h LEU 1272CO -0.11 -0.29 0.42 -0.07 -0.62 0.00 0.00 178.44 177.77 3a4p h LEU 1273N -0.19 0.60 -0.06 2.25 3.38 -0.76 -1.20 115.31 119.34 3a4p h LEU 1273Ca 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3a4p h LEU 1273Cb 0.51 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3a4p h LEU 1273CO -0.55 0.40 0.02 -0.25 0.09 0.00 0.00 178.44 178.16 3a4p h TRP 1274N 0.69 0.08 -0.85 1.13 7.01 -0.96 -0.98 115.95 122.07 3a4p h TRP 1274Ca 0.26 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.41 3a4p h TRP 1274Cb 0.16 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.13 3a4p h TRP 1274CO -0.00 0.22 0.56 0.93 -2.79 0.00 0.00 178.44 177.36 3a4p h GLU 1275N -0.08 0.57 -0.13 2.65 5.08 -0.83 0.35 114.58 122.19 3a4p h GLU 1275Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3a4p h GLU 1275Cb 0.17 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3a4p h GLU 1275CO -0.00 0.38 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.28 3a4p h LEU 1276N 0.59 0.27 -0.83 1.33 3.38 -0.97 0.81 115.31 119.89 3a4p h LEU 1276Ca 0.43 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3a4p h LEU 1276Cb 0.80 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3a4p h LEU 1276CO -0.18 0.59 -0.39 0.24 0.09 0.00 0.00 178.44 178.78 3a4p h MET 1277N -0.06 0.00 -0.21 1.13 2.86 -0.36 -0.59 114.93 117.71 3a4p h MET 1277Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3a4p h MET 1277Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3a4p h MET 1277CO 0.01 0.39 0.00 0.25 1.06 0.00 0.00 176.91 178.63 3a4p n THR 1278N -3.49 0.27 -3.83 2.22 -2.24 0.03 -4.66 114.28 102.58 3a4p n THR 1278Ca 0.00 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 3a4p n THR 1278Cb 0.54 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 3a4p n THR 1278CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3a4p n ARG 1279N 0.28 -4.50 -1.46 -0.78 1.74 -0.23 -3.57 116.66 108.14 3a4p n ARG 1279Ca 0.14 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3a4p n ARG 1279Cb 0.29 -5.05 0.00 0.00 -1.02 0.00 0.00 32.46 26.67 3a4p n ARG 1279CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4p n GLY 1280N -1.70 0.93 3.80 -0.13 0.00 0.27 -3.67 105.19 104.69 3a4p n GLY 1280Ca -0.22 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 3a4p n GLY 1280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4p s ALA 1281N -2.23 2.98 0.03 4.61 0.00 -1.23 -4.93 121.76 120.98 3a4p s ALA 1281Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3a4p s ALA 1281Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3a4p s ALA 1281CO 0.00 -0.11 1.49 -1.25 0.00 0.00 0.00 175.76 175.89 3a4p s PRO 1282N -3.06 4.25 0.36 0.00 0.04 -1.26 -4.71 135.00 130.62 3a4p s PRO 1282Ca 0.63 2.10 -0.28 0.00 0.04 0.00 0.00 61.00 63.49 3a4p s PRO 1282Cb -0.14 -3.58 -0.10 0.00 0.04 0.00 0.00 34.50 30.72 3a4p s PRO 1282CO 0.19 -0.63 1.31 -1.25 0.04 0.00 0.00 177.00 176.65 3a4p s PRO 1283N 2.48 4.21 -1.21 0.56 0.04 -1.26 -3.65 135.00 136.18 3a4p s PRO 1283Ca 0.67 2.19 -0.00 0.00 0.04 0.00 0.00 61.00 63.91 3a4p s PRO 1283Cb -0.34 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 3a4p s PRO 1283CO 0.29 -0.30 0.96 0.66 0.04 0.00 0.00 177.00 178.64 3a4p n TYR 1284N 0.55 -2.16 -0.33 0.56 4.02 -1.26 -4.93 117.16 113.61 3a4p n TYR 1284Ca 0.01 0.92 0.09 0.00 -0.01 0.00 0.00 57.90 58.91 3a4p n TYR 1284Cb 0.42 -4.98 0.29 0.00 -0.02 0.00 0.00 39.34 35.06 3a4p n TYR 1284CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3a4p h PRO 1285N -1.88 0.87 0.00 -0.72 0.11 -1.99 -1.65 132.00 126.73 3a4p h PRO 1285Ca -0.59 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3a4p h PRO 1285Cb 1.34 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a4p h PRO 1285CO 0.51 0.57 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 3a4p n ASP 1286N -4.59 0.00 -4.31 -2.05 3.85 -1.26 -4.84 116.55 103.35 3a4p n ASP 1286Ca 0.18 -0.59 -0.34 0.00 -0.71 0.00 0.00 54.79 53.34 3a4p n ASP 1286Cb 0.38 -0.08 -0.15 0.00 -1.35 0.00 0.00 41.12 39.93 3a4p n ASP 1286CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3a4p s VAL 1287N -2.16 2.96 0.17 2.12 1.01 -0.62 -5.09 120.40 118.80 3a4p s VAL 1287Ca 0.34 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 3a4p s VAL 1287Cb 0.17 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 3a4p s VAL 1287CO 0.31 0.50 1.57 0.21 0.00 0.00 0.00 175.10 177.69 3a4p s ASN 1288N 0.83 6.57 0.32 3.32 3.04 -1.26 -4.92 114.94 122.85 3a4p s ASN 1288Ca -0.04 2.64 0.09 0.00 0.04 0.00 0.00 52.86 55.60 3a4p s ASN 1288Cb -0.15 -2.60 0.93 0.00 -1.54 0.00 0.00 41.25 37.90 3a4p s ASN 1288CO 0.00 -0.83 1.66 0.74 -3.04 0.00 0.00 177.10 175.64 3a4p h THR 1289N 3.97 0.32 0.00 -5.21 2.02 -1.98 0.16 112.91 112.18 3a4p h THR 1289Ca -0.43 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3a4p h THR 1289Cb 1.21 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3a4p h THR 1289CO 0.91 0.05 -0.02 -0.26 0.37 0.00 0.00 175.52 176.58 3a4p h PHE 1290N 0.30 0.00 -0.00 3.16 0.04 -2.03 -3.26 116.94 115.15 3a4p h PHE 1290Ca 0.66 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.43 3a4p h PHE 1290Cb 1.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.58 3a4p h PHE 1290CO -0.11 0.00 -0.39 -0.25 -0.60 0.00 0.00 178.31 176.96 3a4p n ASP 1291N -2.39 0.70 -0.28 2.17 9.92 0.51 -4.63 116.55 122.56 3a4p n ASP 1291Ca 0.05 -0.50 0.09 0.00 -0.53 0.00 0.00 54.79 53.91 3a4p n ASP 1291Cb 0.45 0.19 0.23 0.00 -0.64 0.00 0.00 41.12 41.35 3a4p n ASP 1291CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3a4p h ILE 1292N 0.48 0.40 -0.10 0.53 6.09 -1.48 -1.37 117.51 122.06 3a4p h ILE 1292Ca 0.00 -0.08 0.02 0.00 -1.37 0.00 0.00 64.86 63.43 3a4p h ILE 1292Cb 0.50 0.15 -0.02 0.00 0.47 0.00 0.00 36.82 37.92 3a4p h ILE 1292CO 0.00 0.04 -0.02 0.74 -3.07 0.00 0.00 178.15 175.84 3a4p h THR 1293N 0.23 0.91 -0.71 2.19 2.02 -1.87 -0.33 112.91 115.35 3a4p h THR 1293Ca 0.49 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.64 3a4p h THR 1293Cb 0.91 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3a4p h THR 1293CO -0.60 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.23 3a4p h VAL 1294N 0.00 1.23 0.03 3.16 2.07 -1.72 -0.09 116.25 120.93 3a4p h VAL 1294Ca 0.05 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3a4p h VAL 1294Cb 0.07 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3a4p h VAL 1294CO -0.10 0.26 -0.28 0.22 0.02 0.00 0.00 177.57 177.70 3a4p h TYR 1295N 0.98 -0.75 -0.47 1.57 5.03 -0.90 -1.69 116.97 120.74 3a4p h TYR 1295Ca 0.24 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.54 3a4p h TYR 1295Cb 0.10 0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 3a4p h TYR 1295CO 0.00 -0.37 0.12 -0.07 -1.32 0.00 0.00 178.16 176.53 3a4p h LEU 1296N -0.44 0.65 0.00 2.82 3.38 -0.79 -2.47 115.31 118.47 3a4p h LEU 1296Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a4p h LEU 1296Cb 0.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3a4p h LEU 1296CO -0.22 0.64 0.00 0.18 0.09 0.00 0.00 178.44 179.13 3a4p n LEU 1297N -4.31 0.00 0.03 1.67 4.77 -0.07 -2.96 117.00 116.14 3a4p n LEU 1297Ca 0.03 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3a4p n LEU 1297Cb 0.20 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 3a4p n LEU 1297CO 0.39 -0.00 0.17 0.00 -1.33 0.00 0.00 177.39 176.62 3a4p n GLN 1298N -1.16 0.24 0.00 3.23 6.02 -0.66 -4.93 117.38 120.11 3a4p n GLN 1298Ca 0.18 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3a4p n GLN 1298Cb 0.18 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3a4p n GLN 1298CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a4p n GLY 1299N 1.38 1.76 3.60 1.08 0.00 -1.16 -5.11 105.19 106.73 3a4p n GLY 1299Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3a4p n GLY 1299CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a4p s ARG 1300N -0.03 2.56 0.05 1.61 0.52 -1.21 -5.07 118.95 117.37 3a4p s ARG 1300Ca 0.00 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.48 3a4p s ARG 1300Cb 0.00 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 3a4p s ARG 1300CO 0.00 0.60 -0.03 1.03 0.02 0.00 0.00 175.30 176.92 3a4p s ARG 1301N -1.41 0.59 0.13 3.54 1.81 -1.26 -4.48 118.95 117.87 3a4p s ARG 1301Ca 0.17 -1.15 -0.34 0.00 -1.72 0.00 0.00 55.73 52.68 3a4p s ARG 1301Cb -0.11 0.17 -0.17 0.00 -0.45 0.00 0.00 34.95 34.39 3a4p s ARG 1301CO 0.07 -0.10 1.10 1.28 -0.68 0.00 0.00 175.30 176.97 3a4p n LEU 1302N 0.28 0.92 -4.72 2.53 4.77 -1.26 -4.97 117.00 114.55 3a4p n LEU 1302Ca -0.15 1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 3a4p n LEU 1302Cb 0.60 -1.12 0.12 0.00 -2.33 0.00 0.00 43.42 40.69 3a4p n LEU 1302CO 0.27 -1.58 0.72 -0.76 -1.33 0.00 0.00 177.39 174.71 3a4p s LEU 1303N 0.76 3.07 0.02 2.23 1.43 -1.26 -4.94 118.68 119.98 3a4p s LEU 1303Ca 0.77 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 55.68 3a4p s LEU 1303Cb -0.96 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 40.62 3a4p s LEU 1303CO 0.53 -2.46 1.83 -1.58 0.23 0.00 0.00 176.35 174.90 3a4p s GLN 1304N -4.49 4.16 0.43 1.70 0.74 -1.26 -4.97 119.66 115.97 3a4p s GLN 1304Ca 0.67 2.46 -0.26 0.00 0.05 0.00 0.00 55.36 58.28 3a4p s GLN 1304Cb -0.22 -4.00 -0.09 0.00 1.10 0.00 0.00 33.01 29.80 3a4p s GLN 1304CO 0.53 -0.89 1.38 -2.14 -0.55 0.00 0.00 175.29 173.61 3a4p s PRO 1305N 3.98 3.82 0.29 1.67 0.02 -1.26 -4.90 135.00 138.62 3a4p s PRO 1305Ca 0.82 2.31 0.13 0.00 0.02 0.00 0.00 61.00 64.28 3a4p s PRO 1305Cb -0.40 -2.71 0.97 0.00 0.02 0.00 0.00 34.50 32.38 3a4p s PRO 1305CO 0.36 -0.67 1.29 -1.91 -0.33 0.00 0.00 177.00 175.75 3a4p n GLU 1306N -0.03 -0.05 -0.21 5.54 2.13 -1.26 -0.78 120.64 125.99 3a4p n GLU 1306Ca 0.04 1.16 0.08 0.00 0.66 0.00 0.00 57.16 59.10 3a4p n GLU 1306Cb 0.42 -2.01 0.19 0.00 0.27 0.00 0.00 31.44 30.31 3a4p n GLU 1306CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3a4p n TYR 1307N -4.94 0.54 -2.81 4.31 4.02 -1.26 -4.95 117.16 112.08 3a4p n TYR 1307Ca 0.28 -0.42 -0.42 0.00 -0.01 0.00 0.00 57.90 57.33 3a4p n TYR 1307Cb 0.94 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 40.21 3a4p n TYR 1307CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3a4p s PRO 1309N 2.18 3.18 0.10 0.00 0.02 -1.26 -4.82 135.00 134.40 3a4p s PRO 1309Ca 0.42 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 63.25 3a4p s PRO 1309Cb -0.17 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3a4p s PRO 1309CO 0.14 -1.09 1.27 -0.25 -0.33 0.00 0.00 177.00 176.73 3a4p n ASP 1310N -1.14 -0.67 -0.15 2.53 9.92 -1.26 -1.30 116.55 124.48 3a4p n ASP 1310Ca 0.11 1.42 0.17 0.00 -0.53 0.00 0.00 54.79 55.96 3a4p n ASP 1310Cb 0.47 -0.29 0.53 0.00 -0.64 0.00 0.00 41.12 41.19 3a4p n ASP 1310CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3a4p h PRO 1311N 0.00 0.34 -0.06 -0.24 0.13 -2.00 0.24 132.00 130.41 3a4p h PRO 1311Ca 0.10 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 3a4p h PRO 1311Cb 0.26 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 3a4p h PRO 1311CO -0.59 0.23 -0.47 1.25 -0.23 0.00 0.00 178.00 178.19 3a4p h LEU 1312N 0.35 0.17 -0.25 1.56 5.85 -1.60 -2.44 115.31 118.95 3a4p h LEU 1312Ca 0.37 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 3a4p h LEU 1312Cb 0.93 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3a4p h LEU 1312CO -0.11 0.61 -0.25 0.22 -0.34 0.00 0.00 178.44 178.58 3a4p h TYR 1313N 0.13 0.74 -0.84 1.25 3.20 0.73 -1.27 116.97 120.90 3a4p h TYR 1313Ca 0.01 -0.22 0.19 0.00 3.14 0.00 0.00 58.73 61.84 3a4p h TYR 1313Cb 0.88 -0.16 -0.11 0.00 1.54 0.00 0.00 36.73 38.88 3a4p h TYR 1313CO 0.01 0.93 0.35 0.93 -1.64 0.00 0.00 178.16 178.74 3a4p h GLU 1314N 0.33 0.41 0.24 1.82 5.08 -0.95 -0.42 114.58 121.09 3a4p h GLU 1314Ca 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3a4p h GLU 1314Cb 0.81 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3a4p h GLU 1314CO 0.06 0.27 -0.11 0.28 -1.00 0.00 0.00 179.01 178.51 3a4p h VAL 1315N 0.42 0.78 -0.67 3.13 2.07 -1.00 -1.09 116.25 119.89 3a4p h VAL 1315Ca 0.50 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 68.08 3a4p h VAL 1315Cb 0.87 0.81 -0.13 0.00 -1.52 0.00 0.00 31.29 31.32 3a4p h VAL 1315CO -0.48 0.01 -0.27 0.24 0.02 0.00 0.00 177.57 177.10 3a4p h MET 1316N -0.34 -0.08 -0.62 1.57 2.86 -0.28 -0.46 114.93 117.58 3a4p h MET 1316Ca -0.03 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3a4p h MET 1316Cb 0.26 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3a4p h MET 1316CO 0.05 -0.05 0.40 -0.07 1.06 0.00 0.00 176.91 178.30 3a4p h LEU 1317N -0.08 0.72 -0.11 1.22 3.38 -0.70 -1.67 115.31 118.08 3a4p h LEU 1317Ca 0.29 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3a4p h LEU 1317Cb 0.54 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3a4p h LEU 1317CO -0.73 0.54 -0.11 0.11 0.09 0.00 0.00 178.44 178.34 3a4p h LYS 1318N 0.84 -0.13 -0.56 1.13 1.57 -0.87 -1.82 116.57 116.74 3a4p h LYS 1318Ca 0.23 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.18 3a4p h LYS 1318Cb -0.08 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3a4p h LYS 1318CO -0.05 -0.09 0.50 0.00 -0.57 0.00 0.00 179.45 179.25 3a4p n TRP 1320N -3.92 1.40 -1.59 0.00 8.01 -0.73 -3.27 117.44 117.34 3a4p n TRP 1320Ca 0.11 -0.72 -0.46 0.00 -1.31 0.00 0.00 57.50 55.11 3a4p n TRP 1320Cb 0.72 -0.33 -0.03 0.00 -2.01 0.00 0.00 31.31 29.67 3a4p n TRP 1320CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3a4p n HIS 1321N 0.38 1.33 0.27 -5.99 -0.00 -0.39 -4.86 115.22 105.95 3a4p n HIS 1321Ca 0.24 0.68 0.13 0.00 0.46 0.00 0.00 57.72 59.22 3a4p n HIS 1321Cb 0.94 -2.27 0.74 0.00 -0.12 0.00 0.00 29.99 29.28 3a4p n HIS 1321CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3a4p h PRO 1322N 2.69 0.00 -4.78 1.57 0.13 -1.91 -3.39 132.00 126.31 3a4p h PRO 1322Ca -0.41 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.05 3a4p h PRO 1322Cb 1.34 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.25 3a4p h PRO 1322CO 0.65 0.11 -0.55 0.15 -0.23 0.00 0.00 178.00 178.13 3a4p s LYS 1323N -4.28 3.36 0.42 0.86 -0.14 -1.26 -4.80 119.74 113.90 3a4p s LYS 1323Ca -0.03 -0.71 0.17 0.00 -1.36 0.00 0.00 55.97 54.05 3a4p s LYS 1323Cb 0.13 -3.58 1.08 0.00 -1.68 0.00 0.00 37.83 33.79 3a4p s LYS 1323CO 0.59 -0.41 1.86 0.00 -0.76 0.00 0.00 175.35 176.62 3a4p h ALA 1324N 8.36 2.20 -0.71 5.17 0.00 -1.94 -1.92 119.26 130.42 3a4p h ALA 1324Ca -0.32 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3a4p h ALA 1324Cb 1.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3a4p h ALA 1324CO 0.61 -0.48 0.39 1.05 0.00 0.00 0.00 179.25 180.82 3a4p h GLU 1325N 0.41 0.99 0.00 0.00 9.09 -1.95 -2.66 114.58 120.46 3a4p h GLU 1325Ca 0.47 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3a4p h GLU 1325Cb 1.16 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 3a4p h GLU 1325CO -0.18 0.74 0.00 -1.33 0.05 0.00 0.00 179.01 178.29 3a4p n MET 1326N -4.49 0.01 -2.59 1.06 2.81 -0.72 -4.77 117.12 108.42 3a4p n MET 1326Ca 0.06 0.36 -0.36 0.00 -1.81 0.00 0.00 57.70 55.95 3a4p n MET 1326Cb 0.09 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.04 3a4p n MET 1326CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3a4p s ARG 1327N -3.02 4.15 0.46 0.03 0.52 -1.00 -4.96 118.95 115.13 3a4p s ARG 1327Ca 0.04 1.43 -0.23 0.00 -0.52 0.00 0.00 55.73 56.45 3a4p s ARG 1327Cb 0.06 -2.45 -0.07 0.00 0.52 0.00 0.00 34.95 33.00 3a4p s ARG 1327CO 0.17 -0.14 1.18 -1.25 0.02 0.00 0.00 175.30 175.27 3a4p s PRO 1328N -2.65 3.75 0.68 3.54 0.04 -1.26 -5.03 135.00 134.07 3a4p s PRO 1328Ca 0.59 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 3a4p s PRO 1328Cb -0.19 -2.42 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 3a4p s PRO 1328CO 0.24 -0.57 1.06 -1.54 0.04 0.00 0.00 177.00 176.23 3a4p s SER 1329N -1.31 5.63 0.36 6.66 1.04 -1.26 -4.83 113.70 119.98 3a4p s SER 1329Ca 0.63 1.47 0.07 0.00 0.48 0.00 0.00 55.95 58.61 3a4p s SER 1329Cb -0.29 -2.39 0.77 0.00 0.10 0.00 0.00 66.02 64.20 3a4p s SER 1329CO 0.36 -1.26 1.91 -0.26 0.98 0.00 0.00 173.24 174.97 3a4p h PHE 1330N -0.60 0.80 0.04 5.02 -1.00 -1.94 0.84 116.94 120.10 3a4p h PHE 1330Ca -0.44 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.38 3a4p h PHE 1330Cb 1.21 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 3a4p h PHE 1330CO 0.61 0.36 -0.21 0.77 -1.61 0.00 0.00 178.31 178.23 3a4p h SER 1331N 0.73 -0.61 -0.51 2.17 0.02 -1.93 0.47 113.55 113.89 3a4p h SER 1331Ca 0.38 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3a4p h SER 1331Cb 0.49 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3a4p h SER 1331CO -0.15 -0.29 0.29 -0.08 -1.14 0.00 0.00 176.83 175.47 3a4p h GLU 1332N -0.36 0.73 -0.73 3.45 4.81 -1.77 -1.93 114.58 118.78 3a4p h GLU 1332Ca 0.05 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3a4p h GLU 1332Cb 0.42 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3a4p h GLU 1332CO -0.16 0.54 0.34 -0.07 -0.73 0.00 0.00 179.01 178.93 3a4p h LEU 1333N 0.74 0.97 -0.24 1.64 3.38 -0.18 -0.16 115.31 121.47 3a4p h LEU 1333Ca 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3a4p h LEU 1333Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3a4p h LEU 1333CO -0.03 0.84 0.02 0.58 0.09 0.00 0.00 178.44 179.94 3a4p h VAL 1334N 1.03 1.24 -0.01 1.22 2.07 -0.58 0.25 116.25 121.48 3a4p h VAL 1334Ca 0.25 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3a4p h VAL 1334Cb 0.14 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3a4p h VAL 1334CO -0.03 0.26 -0.04 -1.28 0.02 0.00 0.00 177.57 176.50 3a4p h SER 1335N 0.20 -0.12 -0.51 0.57 0.87 -1.23 -1.50 113.55 111.83 3a4p h SER 1335Ca 0.07 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 3a4p h SER 1335Cb 0.37 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3a4p h SER 1335CO 0.01 -0.06 -0.10 0.03 -0.53 0.00 0.00 176.83 176.17 3a4p h ARG 1336N -0.07 0.98 -0.12 2.24 3.08 -0.95 -2.87 114.38 116.66 3a4p h ARG 1336Ca 0.02 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.56 3a4p h ARG 1336Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3a4p h ARG 1336CO -0.05 1.04 -0.56 0.82 -1.07 0.00 0.00 179.97 180.15 3a4p h ILE 1337N 0.84 1.35 -0.49 2.04 2.04 -0.89 -2.75 117.51 119.65 3a4p h ILE 1337Ca 0.13 -1.84 0.09 0.00 1.00 0.00 0.00 64.86 64.24 3a4p h ILE 1337Cb 0.67 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.53 3a4p h ILE 1337CO 0.05 0.56 -0.00 0.28 0.00 0.00 0.00 178.15 179.03 3a4p h SER 1338N 0.29 -0.21 -0.21 1.72 0.02 -1.24 0.32 113.55 114.24 3a4p h SER 1338Ca 0.00 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3a4p h SER 1338Cb 1.07 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 3a4p h SER 1338CO 0.09 -0.07 -0.21 0.00 -1.14 0.00 0.00 176.83 175.51 3a4p h ALA 1339N 1.44 -0.09 0.15 3.77 0.00 -1.26 0.34 119.26 123.61 3a4p h ALA 1339Ca 0.25 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3a4p h ALA 1339Cb 0.37 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a4p h ALA 1339CO -0.41 -0.64 -0.07 0.82 0.00 0.00 0.00 179.25 178.95 3a4p h ILE 1340N -0.22 0.96 -0.87 0.00 2.04 -1.26 -2.66 117.51 115.51 3a4p h ILE 1340Ca 0.13 -0.54 0.23 0.00 1.00 0.00 0.00 64.86 65.67 3a4p h ILE 1340Cb 0.41 1.29 -0.13 0.00 -0.74 0.00 0.00 36.82 37.65 3a4p h ILE 1340CO -0.34 0.13 0.27 0.15 0.00 0.00 0.00 178.15 178.35 3a4p h PHE 1341N -0.47 0.42 0.00 1.37 3.04 -0.17 -2.29 116.94 118.84 3a4p h PHE 1341Ca -0.02 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3a4p h PHE 1341Cb 0.36 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.83 3a4p h PHE 1341CO 0.01 -0.16 0.00 -1.13 -2.02 0.00 0.00 178.31 175.01 3a4p n SER 1342N -5.18 0.16 0.00 0.41 3.41 0.09 -2.12 113.62 110.40 3a4p n SER 1342Ca 0.21 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 3a4p n SER 1342Cb 0.66 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 3a4p n SER 1342CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a4p n THR 1343N -1.70 0.04 -4.14 6.66 -2.24 -0.86 -4.94 114.28 107.10 3a4p n THR 1343Ca 0.01 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 3a4p n THR 1343Cb 0.07 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 3a4p n THR 1343CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3a4p s PHE 1344N -3.17 3.29 -0.04 4.78 0.08 -0.90 -5.03 117.98 116.98 3a4p s PHE 1344Ca 0.03 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.38 3a4p s PHE 1344Cb 0.15 -1.77 0.09 0.00 -0.57 0.00 0.00 43.02 40.92 3a4p s PHE 1344CO 0.85 0.55 0.96 0.44 -0.10 0.00 0.00 175.22 177.92 3a4p n ILE 1345N 1.51 0.85 -1.11 0.64 -5.35 -1.26 -4.88 119.36 109.75 3a4p n ILE 1345Ca -0.15 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 3a4p n ILE 1345Cb 0.53 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 3a4p n ILE 1345CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4p n GLY 1346N -0.58 0.56 0.08 3.28 0.00 -1.26 -4.97 105.19 102.29 3a4p n GLY 1346Ca 0.05 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 3a4p n GLY 1346CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a4p h GLU 1347N 0.00 0.01 -4.16 1.61 5.08 -2.00 -3.45 114.58 111.67 3a4p h GLU 1347Ca 0.00 -0.01 -0.75 0.00 -1.00 0.00 0.00 59.36 57.59 3a4p h GLU 1347Cb 0.29 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 29.31 3a4p h GLU 1347CO 0.00 0.65 -0.18 -1.01 -1.00 0.00 0.00 179.01 177.47 3a4p s HIS 1348N -2.63 3.22 0.15 4.33 3.76 -1.26 -5.06 115.29 117.81 3a4p s HIS 1348Ca -0.03 -1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 53.32 3a4p s HIS 1348Cb 0.08 -3.83 -0.08 0.00 1.11 0.00 0.00 32.58 29.87 3a4p s HIS 1348CO 0.82 -1.05 1.25 0.71 -0.85 0.00 0.00 174.74 175.62 3a4p s TYR 1349N 1.72 3.37 -0.18 1.40 2.02 -1.26 -0.79 117.35 123.63 3a4p s TYR 1349Ca 0.04 1.29 -0.09 0.00 -0.37 0.00 0.00 57.07 57.94 3a4p s TYR 1349Cb -0.29 -3.50 -0.05 0.00 -0.40 0.00 0.00 41.96 37.72 3a4p s TYR 1349CO 0.03 -1.54 0.13 0.08 -1.57 0.00 0.00 175.55 172.68 3a4p s VAL 1350N 0.38 5.38 0.07 0.71 1.01 -0.30 -4.85 120.40 122.79 3a4p s VAL 1350Ca 0.57 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.78 3a4p s VAL 1350Cb -0.33 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3a4p s VAL 1350CO 0.34 0.49 -0.15 -1.00 0.00 0.00 0.00 175.10 174.78 3a4p s HIS 1351N -0.01 1.33 0.18 5.22 0.09 -1.26 -4.56 115.29 116.28 3a4p s HIS 1351Ca 0.10 -0.42 -0.31 0.00 -0.00 0.00 0.00 55.06 54.42 3a4p s HIS 1351Cb -0.11 -0.76 -0.09 0.00 -0.00 0.00 0.00 32.58 31.62 3a4p s HIS 1351CO -0.00 0.08 1.46 0.08 -0.00 0.00 0.00 174.74 176.35 3a4p s VAL 1352N -1.13 2.87 0.30 -0.90 1.01 -1.26 -4.98 120.40 116.30 3a4p s VAL 1352Ca 0.01 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 3a4p s VAL 1352Cb -0.09 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 3a4p s VAL 1352CO 0.02 0.07 1.32 0.21 0.00 0.00 0.00 175.10 176.73 3a4p s ASN 1353N 0.83 6.79 0.36 3.32 2.47 -1.26 -4.99 114.94 122.46 3a4p s ASN 1353Ca 0.64 2.63 0.05 0.00 0.42 0.00 0.00 52.86 56.60 3a4p s ASN 1353Cb -0.41 -2.64 0.73 0.00 -1.45 0.00 0.00 41.25 37.48 3a4p s ASN 1353CO 0.35 -0.54 1.98 0.00 -3.72 0.00 0.00 177.10 175.16 3a4p h ALA 1354N 3.94 1.67 -0.02 1.71 0.00 -1.97 -2.82 119.26 121.78 3a4p h ALA 1354Ca -0.48 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 3a4p h ALA 1354Cb 1.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3a4p h ALA 1354CO 0.69 0.24 -0.84 1.15 0.00 0.00 0.00 179.25 180.48 3a4p h THR 1355N 0.76 1.44 0.00 0.00 2.02 -2.04 -3.34 112.91 111.75 3a4p h THR 1355Ca 0.29 -2.43 -0.08 0.00 0.77 0.00 0.00 66.41 64.96 3a4p h THR 1355Cb 0.17 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3a4p h THR 1355CO -0.09 0.72 -1.38 -1.22 0.37 0.00 0.00 175.52 173.92 3a4p n TYR 1356N -3.73 0.77 -1.69 3.16 4.01 -1.18 -4.96 117.16 113.54 3a4p n TYR 1356Ca -0.04 0.24 -0.44 0.00 -0.16 0.00 0.00 57.90 57.50 3a4p n TYR 1356Cb 0.78 -0.93 -0.04 0.00 -0.31 0.00 0.00 39.34 38.84 3a4p n TYR 1356CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3a4p n VAL 1357N -2.69 0.11 -2.87 -0.72 0.31 -1.07 -3.29 118.33 108.11 3a4p n VAL 1357Ca -0.06 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 3a4p n VAL 1357Cb 0.68 -1.86 0.06 0.00 -0.91 0.00 0.00 33.84 31.82 3a4p n VAL 1357CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3a4p n ASN 1358N 4.29 -3.47 -4.04 4.52 5.03 -1.26 -5.05 115.26 115.28 3a4p n ASN 1358Ca 0.17 -0.46 -0.25 0.00 0.87 0.00 0.00 54.58 54.91 3a4p n ASN 1358Cb 0.33 -3.76 -0.17 0.00 -1.02 0.00 0.00 39.78 35.16 3a4p n ASN 1358CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3a4p s VAL 1359N -3.26 1.22 -2.00 2.41 1.01 -1.21 -5.19 120.40 113.38 3a4p s VAL 1359Ca 0.14 -0.52 0.28 0.00 0.00 0.00 0.00 61.98 61.88 3a4p s VAL 1359Cb -0.02 -1.11 0.79 0.00 0.00 0.00 0.00 36.38 36.04 3a4p s VAL 1359CO 0.51 0.38 2.00 2.29 0.00 0.00 0.00 175.10 180.28