#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lq8 s ASP 1054N 0.00 5.88 0.34 7.28 2.15 -1.26 -4.96 116.67 126.09 3lq8 s ASP 1054Ca 0.00 -1.72 0.09 0.00 0.43 0.00 0.00 52.55 51.34 3lq8 s ASP 1054Cb 0.00 -2.08 0.80 0.00 -0.30 0.00 0.00 42.92 41.34 3lq8 s ASP 1054CO 0.00 -0.70 1.83 -0.07 -0.17 0.00 0.00 175.17 176.06 3lq8 h LEU 1055N 8.60 0.69 -1.54 -1.34 3.38 -2.04 -1.73 115.31 121.33 3lq8 h LEU 1055Ca -0.25 0.06 0.18 0.00 0.09 0.00 0.00 57.88 57.96 3lq8 h LEU 1055Cb 1.09 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 3lq8 h LEU 1055CO 0.89 0.31 0.56 -1.28 0.09 0.00 0.00 178.44 179.01 3lq8 h SER 1056N 0.71 0.40 -0.13 -0.43 0.87 -2.00 -2.30 113.55 110.67 3lq8 h SER 1056Ca 0.50 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 3lq8 h SER 1056Cb 0.83 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3lq8 h SER 1056CO -0.26 0.18 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 3lq8 n ALA 1057N -2.52 2.77 -2.56 6.23 0.00 -0.65 -4.82 120.51 118.96 3lq8 n ALA 1057Ca 0.17 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.02 3lq8 n ALA 1057Cb 0.62 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 3lq8 n ALA 1057CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lq8 s LEU 1058N -0.65 2.35 0.12 0.00 1.43 -0.87 -5.01 118.68 116.06 3lq8 s LEU 1058Ca 0.12 -0.74 -0.35 0.00 -1.03 0.00 0.00 54.13 52.13 3lq8 s LEU 1058Cb 0.09 -0.58 -0.15 0.00 0.03 0.00 0.00 46.19 45.58 3lq8 s LEU 1058CO 0.04 -0.10 1.51 -0.46 0.23 0.00 0.00 176.35 177.57 3lq8 n ASN 1059N 0.82 2.61 0.14 2.29 6.94 -1.26 -4.85 115.26 121.95 3lq8 n ASN 1059Ca -0.18 1.09 0.10 0.00 -0.02 0.00 0.00 54.58 55.57 3lq8 n ASN 1059Cb 0.56 -1.34 0.50 0.00 -2.36 0.00 0.00 39.78 37.14 3lq8 n ASN 1059CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3lq8 n PRO 1060N 3.26 0.13 -0.01 -0.53 -0.04 -1.26 -2.03 135.00 134.51 3lq8 n PRO 1060Ca 0.18 0.59 -0.13 0.00 -0.04 0.00 0.00 63.50 64.10 3lq8 n PRO 1060Cb 0.25 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 3lq8 n PRO 1060CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3lq8 h GLU 1061N 0.00 -0.05 -0.52 0.54 4.11 -2.00 -2.19 114.58 114.47 3lq8 h GLU 1061Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 3lq8 h GLU 1061Cb 0.06 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3lq8 h GLU 1061CO 0.00 0.56 0.35 1.25 0.07 0.00 0.00 179.01 181.24 3lq8 h LEU 1062N -0.70 0.38 0.19 3.06 5.85 -1.85 -2.55 115.31 119.69 3lq8 h LEU 1062Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3lq8 h LEU 1062Cb 0.62 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3lq8 h LEU 1062CO 0.01 0.25 -0.09 0.58 -0.34 0.00 0.00 178.44 178.84 3lq8 h VAL 1063N 0.44 0.81 -0.17 1.05 2.07 -1.35 -2.42 116.25 116.67 3lq8 h VAL 1063Ca 0.23 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3lq8 h VAL 1063Cb 0.35 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3lq8 h VAL 1063CO -0.06 0.19 0.06 1.56 0.02 0.00 0.00 177.57 179.35 3lq8 h GLN 1064N -0.84 0.23 0.47 1.57 4.20 -1.42 -2.37 115.11 116.95 3lq8 h GLN 1064Ca -0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3lq8 h GLN 1064Cb 0.52 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3lq8 h GLN 1064CO 0.04 0.20 -0.22 0.00 -0.67 0.00 0.00 178.83 178.18 3lq8 h ALA 1065N 1.84 -0.63 -0.64 3.87 0.00 -1.45 -2.60 119.26 119.65 3lq8 h ALA 1065Ca 0.06 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.98 3lq8 h ALA 1065Cb 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3lq8 h ALA 1065CO -0.01 -0.75 0.51 0.28 0.00 0.00 0.00 179.25 179.29 3lq8 h VAL 1066N -0.83 0.54 0.00 0.00 2.07 -1.31 0.53 116.25 117.26 3lq8 h VAL 1066Ca -0.06 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 3lq8 h VAL 1066Cb 0.57 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3lq8 h VAL 1066CO 0.10 0.00 -0.76 1.56 0.02 0.00 0.00 177.57 178.49 3lq8 h GLN 1067N 0.00 0.00 0.00 1.57 1.08 -1.26 -2.97 115.11 113.53 3lq8 h GLN 1067Ca 0.31 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 3lq8 h GLN 1067Cb 1.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.76 3lq8 h GLN 1067CO -0.00 0.76 -0.04 0.45 -0.95 0.00 0.00 178.83 179.04 3lq8 h HIS 1068N 0.00 0.00 -0.04 2.96 3.86 -0.50 -3.15 115.15 118.28 3lq8 h HIS 1068Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3lq8 h HIS 1068Cb 1.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 3lq8 h HIS 1068CO 0.00 0.04 -0.14 1.33 0.86 0.00 0.00 177.93 180.02 3lq8 n VAL 1069N -3.22 2.04 -2.14 2.45 0.24 -1.20 -5.07 118.33 111.44 3lq8 n VAL 1069Ca -0.01 -2.53 -0.38 0.00 -2.04 0.00 0.00 64.34 59.39 3lq8 n VAL 1069Cb 0.24 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3lq8 n VAL 1069CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3lq8 s VAL 1070N -2.99 2.85 -0.14 3.34 0.11 -1.13 -0.51 120.40 121.93 3lq8 s VAL 1070Ca 0.35 0.65 0.02 0.00 -2.93 0.00 0.00 61.98 60.07 3lq8 s VAL 1070Cb 0.32 -3.34 0.02 0.00 -1.53 0.00 0.00 36.38 31.85 3lq8 s VAL 1070CO 0.01 0.00 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.97 3lq8 s ILE 1071N -1.46 1.78 0.33 7.04 1.01 0.13 -4.71 121.20 125.33 3lq8 s ILE 1071Ca 0.64 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 3lq8 s ILE 1071Cb -0.32 -1.61 -0.10 0.00 0.01 0.00 0.00 42.46 40.43 3lq8 s ILE 1071CO 0.39 0.50 1.28 -0.83 0.00 0.00 0.00 174.94 176.28 3lq8 s GLY 1072N 1.09 3.00 0.61 6.18 0.00 -1.26 -4.27 107.32 112.67 3lq8 s GLY 1072Ca -0.02 1.22 0.33 0.00 0.00 0.00 0.00 44.72 46.25 3lq8 s GLY 1072CO -0.06 1.85 2.28 -2.55 0.00 0.00 0.00 173.10 174.63 3lq8 h PRO 1073N 3.37 0.00 0.00 2.90 0.11 -1.93 0.27 132.00 136.72 3lq8 h PRO 1073Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3lq8 h PRO 1073Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3lq8 h PRO 1073CO 0.65 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.27 3lq8 n SER 1074N -3.65 0.42 -0.03 -2.05 3.41 -1.26 -2.88 113.62 107.57 3lq8 n SER 1074Ca -0.03 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 3lq8 n SER 1074Cb 0.09 -0.59 0.43 0.00 -0.26 0.00 0.00 64.21 63.88 3lq8 n SER 1074CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3lq8 n SER 1075N -1.87 0.36 -3.98 4.04 7.64 0.08 -4.87 113.62 115.02 3lq8 n SER 1075Ca 0.06 -0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.56 3lq8 n SER 1075Cb 0.39 -0.05 -0.17 0.00 -1.01 0.00 0.00 64.21 63.37 3lq8 n SER 1075CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3lq8 s LEU 1076N -2.89 1.57 -0.34 -3.43 2.96 -1.14 -1.17 118.68 114.24 3lq8 s LEU 1076Ca 0.15 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 3lq8 s LEU 1076Cb 0.18 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 3lq8 s LEU 1076CO 0.60 -0.08 0.28 -0.63 -1.32 0.00 0.00 176.35 175.20 3lq8 s ILE 1077N 1.55 5.25 -0.16 6.68 1.01 0.13 -4.94 121.20 130.71 3lq8 s ILE 1077Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 3lq8 s ILE 1077Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3lq8 s ILE 1077CO -0.10 -0.02 0.08 -0.69 0.00 0.00 0.00 174.94 174.21 3lq8 s VAL 1078N 1.83 4.95 -0.74 2.92 1.01 -1.26 0.07 120.40 129.17 3lq8 s VAL 1078Ca 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3lq8 s VAL 1078Cb -0.17 -3.20 0.19 0.00 0.00 0.00 0.00 36.38 33.21 3lq8 s VAL 1078CO 0.11 0.51 0.63 -1.00 0.00 0.00 0.00 175.10 175.35 3lq8 s HIS 1079N -0.11 3.61 -0.01 5.22 0.09 -1.06 -4.96 115.29 118.07 3lq8 s HIS 1079Ca 0.08 -2.25 0.18 0.00 -0.00 0.00 0.00 55.06 53.06 3lq8 s HIS 1079Cb -0.12 -3.58 0.41 0.00 -0.00 0.00 0.00 32.58 29.29 3lq8 s HIS 1079CO 0.01 -0.93 1.60 0.74 -0.00 0.00 0.00 174.74 176.16 3lq8 h PHE 1080N 7.53 0.00 0.00 1.40 -1.00 -1.97 -1.10 116.94 121.80 3lq8 h PHE 1080Ca 0.05 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 3lq8 h PHE 1080Cb 1.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 3lq8 h PHE 1080CO 0.90 0.41 -0.36 -2.95 -1.61 0.00 0.00 178.31 174.69 3lq8 h ASN 1081N 0.00 0.00 -0.02 2.17 -1.07 -1.98 -3.38 115.58 111.30 3lq8 h ASN 1081Ca -0.00 0.00 -0.71 0.00 0.07 0.00 0.00 56.30 55.66 3lq8 h ASN 1081Cb 1.12 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.34 3lq8 h ASN 1081CO 0.05 0.36 3.23 -0.62 0.07 0.00 0.00 177.43 180.52 3lq8 n GLU 1082N -3.37 2.98 -2.83 4.14 1.02 -0.42 -4.95 120.64 117.21 3lq8 n GLU 1082Ca 0.01 -2.56 -0.42 0.00 -0.02 0.00 0.00 57.16 54.17 3lq8 n GLU 1082Cb 0.56 -3.22 -0.04 0.00 -0.02 0.00 0.00 31.44 28.73 3lq8 n GLU 1082CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3lq8 s VAL 1083N 3.02 4.82 -0.03 2.62 1.01 -1.26 -1.34 120.40 129.24 3lq8 s VAL 1083Ca 0.50 1.73 -0.22 0.00 0.00 0.00 0.00 61.98 63.99 3lq8 s VAL 1083Cb 0.15 -4.18 -0.27 0.00 0.00 0.00 0.00 36.38 32.07 3lq8 s VAL 1083CO -0.08 -0.05 0.98 0.40 0.00 0.00 0.00 175.10 176.35 3lq8 h ILE 1084N 5.30 1.51 -1.58 2.22 2.04 -0.89 -3.47 117.51 122.63 3lq8 h ILE 1084Ca -0.26 -2.27 0.07 0.00 1.00 0.00 0.00 64.86 63.40 3lq8 h ILE 1084Cb 1.11 2.93 -0.24 0.00 -0.74 0.00 0.00 36.82 39.88 3lq8 h ILE 1084CO 0.88 0.64 0.51 -0.83 0.00 0.00 0.00 178.15 179.35 3lq8 s GLY 1085N -4.21 -0.25 -0.04 5.37 0.00 -1.11 -5.01 107.32 102.07 3lq8 s GLY 1085Ca -0.14 2.18 -0.01 0.00 0.00 0.00 0.00 44.72 46.75 3lq8 s GLY 1085CO 0.81 1.24 0.03 -1.60 0.00 0.00 0.00 173.10 173.58 3lq8 s ARG 1086N -0.77 0.09 0.01 2.90 3.52 -1.26 -1.05 118.95 122.40 3lq8 s ARG 1086Ca -0.01 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 3lq8 s ARG 1086Cb -0.02 -0.52 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 3lq8 s ARG 1086CO -0.00 -0.26 0.01 0.41 -0.81 0.00 0.00 175.30 174.65 3lq8 n GLY 1087N 4.84 2.74 0.23 8.12 0.00 -0.05 -4.85 105.19 116.22 3lq8 n GLY 1087Ca -0.13 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 3lq8 n GLY 1087CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3lq8 h HIS 1088N 0.36 0.69 0.00 1.61 2.76 -1.86 -3.32 115.15 115.40 3lq8 h HIS 1088Ca -0.01 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.04 3lq8 h HIS 1088Cb 0.03 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 3lq8 h HIS 1088CO 0.00 0.43 -1.90 1.19 -1.30 0.00 0.00 177.93 176.35 3lq8 n PHE 1089N -4.71 0.00 -4.17 5.26 3.01 -1.26 -4.90 117.46 110.69 3lq8 n PHE 1089Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 3lq8 n PHE 1089Cb 0.03 -0.57 -0.08 0.00 -0.01 0.00 0.00 39.48 38.85 3lq8 n PHE 1089CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3lq8 s GLY 1090N -4.38 1.44 0.05 1.37 0.00 -1.15 -1.90 107.32 102.75 3lq8 s GLY 1090Ca -0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.00 3lq8 s GLY 1090CO 0.65 -1.25 0.06 0.00 0.00 0.00 0.00 173.10 172.56 3lq8 s VAL 1092N -3.38 1.15 0.17 0.00 1.01 -0.21 -0.26 120.40 118.87 3lq8 s VAL 1092Ca 0.02 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.59 3lq8 s VAL 1092Cb 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3lq8 s VAL 1092CO -0.08 0.35 -0.25 -0.31 0.00 0.00 0.00 175.10 174.81 3lq8 s TYR 1093N 0.46 2.32 0.48 5.22 1.51 0.36 -0.18 117.35 127.52 3lq8 s TYR 1093Ca -0.11 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 3lq8 s TYR 1093Cb -0.14 -1.19 -0.07 0.00 -0.11 0.00 0.00 41.96 40.45 3lq8 s TYR 1093CO 0.03 0.44 1.36 -1.01 -1.11 0.00 0.00 175.55 175.26 3lq8 s HIS 1094N -1.43 2.47 0.11 2.71 3.76 -0.45 -0.05 115.29 122.41 3lq8 s HIS 1094Ca 0.18 1.35 -0.02 0.00 -0.15 0.00 0.00 55.06 56.42 3lq8 s HIS 1094Cb -0.09 -3.79 -0.03 0.00 1.11 0.00 0.00 32.58 29.78 3lq8 s HIS 1094CO 0.08 -2.69 0.07 0.20 -0.85 0.00 0.00 174.74 171.55 3lq8 s GLY 1095N -0.79 0.73 -0.11 -2.22 0.00 0.12 -2.56 107.32 102.49 3lq8 s GLY 1095Ca 0.65 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 44.10 3lq8 s GLY 1095CO 0.50 -1.26 -0.13 -1.59 0.00 0.00 0.00 173.10 170.62 3lq8 s THR 1096N -3.99 1.34 -0.24 0.90 2.01 0.11 -1.61 115.64 114.15 3lq8 s THR 1096Ca 0.17 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 3lq8 s THR 1096Cb 0.07 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3lq8 s THR 1096CO -0.02 0.41 0.12 -0.22 -0.69 0.00 0.00 174.62 174.22 3lq8 s LEU 1097N 1.21 3.86 -0.10 4.42 2.96 0.67 -0.69 118.68 131.00 3lq8 s LEU 1097Ca -0.03 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 3lq8 s LEU 1097Cb -0.14 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3lq8 s LEU 1097CO -0.04 0.03 0.29 -0.76 -1.32 0.00 0.00 176.35 174.55 3lq8 s LEU 1098N 1.24 4.35 0.60 -0.68 1.43 -0.32 -0.65 118.68 124.65 3lq8 s LEU 1098Ca 0.06 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3lq8 s LEU 1098Cb -0.14 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 43.78 3lq8 s LEU 1098CO 0.05 0.25 0.83 1.51 0.23 0.00 0.00 176.35 179.22 3lq8 s ASP 1099N -0.39 4.97 0.00 2.29 1.47 -1.03 -4.86 116.67 119.12 3lq8 s ASP 1099Ca 0.18 -0.28 0.06 0.00 1.18 0.00 0.00 52.55 53.69 3lq8 s ASP 1099Cb -0.14 -0.41 0.31 0.00 -0.34 0.00 0.00 42.92 42.34 3lq8 s ASP 1099CO 0.07 -1.38 0.91 0.59 0.68 0.00 0.00 175.17 176.04 3lq8 n ASN 1100N -2.45 0.00 -0.52 2.11 4.13 -1.26 -0.78 115.26 116.49 3lq8 n ASN 1100Ca 0.11 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.43 3lq8 n ASN 1100Cb 0.60 -0.14 0.10 0.00 -1.54 0.00 0.00 39.78 38.81 3lq8 n ASN 1100CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3lq8 n ASP 1101N -1.14 2.48 0.00 6.41 8.00 -1.26 -5.01 116.55 126.03 3lq8 n ASP 1101Ca 0.03 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.74 3lq8 n ASP 1101Cb 0.03 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3lq8 n ASP 1101CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lq8 n GLY 1102N 0.48 0.73 3.70 0.44 0.00 0.04 -5.05 105.19 105.53 3lq8 n GLY 1102Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3lq8 n GLY 1102CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lq8 s LYS 1103N -0.56 4.40 -0.09 1.61 2.20 -1.26 -4.74 119.74 121.30 3lq8 s LYS 1103Ca 0.00 1.74 -0.23 0.00 -0.36 0.00 0.00 55.97 57.13 3lq8 s LYS 1103Cb 0.00 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3lq8 s LYS 1103CO 0.00 -0.33 0.68 0.15 -0.36 0.00 0.00 175.35 175.49 3lq8 s LYS 1104N 1.50 4.39 -0.20 4.03 1.02 -1.26 -2.47 119.74 126.74 3lq8 s LYS 1104Ca 0.58 0.82 -0.02 0.00 0.02 0.00 0.00 55.97 57.37 3lq8 s LYS 1104Cb -0.28 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 3lq8 s LYS 1104CO 0.27 0.01 -0.11 0.42 -0.92 0.00 0.00 175.35 175.01 3lq8 s ILE 1105N 1.02 2.79 0.07 2.17 1.01 0.18 -4.98 121.20 123.46 3lq8 s ILE 1105Ca 0.35 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.99 3lq8 s ILE 1105Cb -0.17 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 3lq8 s ILE 1105CO 0.16 0.46 1.28 -2.28 0.00 0.00 0.00 174.94 174.56 3lq8 s HIS 1106N 1.39 3.32 0.13 3.97 5.65 -1.26 -0.24 115.29 128.26 3lq8 s HIS 1106Ca 0.05 1.15 -0.01 0.00 0.25 0.00 0.00 55.06 56.50 3lq8 s HIS 1106Cb -0.14 -3.53 -0.04 0.00 -1.18 0.00 0.00 32.58 27.70 3lq8 s HIS 1106CO -0.08 -1.74 0.07 0.00 -0.65 0.00 0.00 174.74 172.35 3lq8 s ALA 1108N -4.05 3.89 -0.22 0.00 0.00 -0.16 -0.70 121.76 120.53 3lq8 s ALA 1108Ca 0.24 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3lq8 s ALA 1108Cb 0.07 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.27 3lq8 s ALA 1108CO 0.02 0.66 -0.12 0.08 0.00 0.00 0.00 175.76 176.39 3lq8 s VAL 1109N -1.14 1.91 -0.11 0.00 1.01 0.93 -1.17 120.40 121.83 3lq8 s VAL 1109Ca 0.20 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3lq8 s VAL 1109Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3lq8 s VAL 1109CO 0.10 0.17 0.17 -0.75 0.00 0.00 0.00 175.10 174.79 3lq8 s LYS 1110N 1.27 3.53 0.05 2.72 2.20 0.03 -0.48 119.74 129.06 3lq8 s LYS 1110Ca -0.03 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 3lq8 s LYS 1110Cb -0.17 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3lq8 s LYS 1110CO -0.08 0.75 -0.04 0.45 -0.36 0.00 0.00 175.35 176.06 3lq8 s SER 1111N -0.97 0.59 0.20 1.43 0.15 0.64 -1.96 113.70 113.79 3lq8 s SER 1111Ca 0.16 -0.78 -0.24 0.00 0.70 0.00 0.00 55.95 55.80 3lq8 s SER 1111Cb -0.13 0.12 -0.08 0.00 -1.71 0.00 0.00 66.02 64.23 3lq8 s SER 1111CO 0.05 -0.42 0.78 -0.76 1.20 0.00 0.00 173.24 174.09 3lq8 s LEU 1112N -2.28 4.49 0.47 3.45 1.43 -1.26 -1.63 118.68 123.35 3lq8 s LEU 1112Ca -0.02 1.59 0.26 0.00 -1.03 0.00 0.00 54.13 54.94 3lq8 s LEU 1112Cb -0.01 -3.46 1.06 0.00 0.03 0.00 0.00 46.19 43.81 3lq8 s LEU 1112CO -0.05 0.12 1.88 0.78 0.23 0.00 0.00 176.35 179.32 3lq8 h ASN 1113N 3.91 0.00 0.00 2.29 2.35 -1.71 -3.43 115.58 118.99 3lq8 h ASN 1113Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3lq8 h ASN 1113Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3lq8 h ASN 1113CO 0.66 0.17 0.00 0.54 -1.65 0.00 0.00 177.43 177.15 3lq8 n ARG 1114N -3.37 0.00 -0.09 0.81 1.74 -1.26 -5.07 116.66 109.42 3lq8 n ARG 1114Ca -0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 3lq8 n ARG 1114Cb 0.39 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.71 3lq8 n ARG 1114CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3lq8 n ILE 1118N 0.00 1.60 0.23 0.55 5.41 -1.26 -4.91 119.36 120.98 3lq8 n ILE 1118Ca 0.00 -0.45 -0.15 0.00 1.00 0.00 0.00 62.75 63.15 3lq8 n ILE 1118Cb 0.00 -1.74 -0.08 0.00 -0.71 0.00 0.00 39.64 37.11 3lq8 n ILE 1118CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3lq8 h GLY 1119N 0.49 -0.55 1.84 7.39 0.00 -1.99 -0.28 103.07 109.97 3lq8 h GLY 1119Ca -0.51 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.04 3lq8 h GLY 1119CO -0.13 -0.20 0.06 0.83 0.00 0.00 0.00 176.54 177.09 3lq8 h GLU 1120N -0.55 0.00 0.00 4.80 4.39 -2.01 -2.02 114.58 119.20 3lq8 h GLU 1120Ca -0.05 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.38 3lq8 h GLU 1120Cb 0.42 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3lq8 h GLU 1120CO 0.09 0.00 -1.05 0.28 -1.16 0.00 0.00 179.01 177.16 3lq8 h VAL 1121N 0.00 1.28 -0.19 3.13 2.07 -1.91 -2.48 116.25 118.15 3lq8 h VAL 1121Ca 0.04 -2.25 -0.09 0.00 0.82 0.00 0.00 66.70 65.22 3lq8 h VAL 1121Cb 0.15 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3lq8 h VAL 1121CO -0.00 0.70 -0.27 -1.28 0.02 0.00 0.00 177.57 176.73 3lq8 h SER 1122N 0.40 0.36 0.28 0.57 0.87 -0.73 -2.01 113.55 113.28 3lq8 h SER 1122Ca -0.13 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 3lq8 h SER 1122Cb 1.71 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 3lq8 h SER 1122CO 0.21 0.63 -0.13 -0.61 -0.53 0.00 0.00 176.83 176.39 3lq8 h GLN 1123N 0.32 -0.36 -0.93 2.24 5.75 -1.45 -2.60 115.11 118.08 3lq8 h GLN 1123Ca 0.05 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.68 3lq8 h GLN 1123Cb 0.65 0.08 -0.13 0.00 1.07 0.00 0.00 27.48 29.16 3lq8 h GLN 1123CO 0.05 -0.05 -0.47 0.34 -2.65 0.00 0.00 178.83 176.04 3lq8 n PHE 1124N -5.03 -0.23 -0.06 3.99 7.35 -0.94 -1.37 117.46 121.17 3lq8 n PHE 1124Ca -0.07 1.16 0.00 0.00 -0.76 0.00 0.00 57.45 57.77 3lq8 n PHE 1124Cb 0.24 -0.68 0.29 0.00 0.35 0.00 0.00 39.48 39.68 3lq8 n PHE 1124CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3lq8 h LEU 1125N 0.00 0.60 -0.40 -2.13 3.38 -1.44 -2.88 115.31 112.44 3lq8 h LEU 1125Ca 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3lq8 h LEU 1125Cb 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3lq8 h LEU 1125CO -0.89 0.57 0.12 0.74 0.09 0.00 0.00 178.44 179.07 3lq8 h THR 1126N 0.65 1.22 -0.48 0.22 2.02 -0.83 -2.18 112.91 113.53 3lq8 h THR 1126Ca 0.15 -0.72 0.08 0.00 0.77 0.00 0.00 66.41 66.70 3lq8 h THR 1126Cb 0.19 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 3lq8 h THR 1126CO -0.01 0.25 0.07 -0.33 0.37 0.00 0.00 175.52 175.87 3lq8 h GLU 1127N 0.50 0.19 -0.38 6.66 5.08 -1.01 -0.67 114.58 124.95 3lq8 h GLU 1127Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3lq8 h GLU 1127Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3lq8 h GLU 1127CO -0.00 0.13 0.24 0.78 -1.00 0.00 0.00 179.01 179.16 3lq8 h GLY 1128N 0.20 0.55 1.02 -3.84 0.00 -1.50 -3.29 103.07 96.21 3lq8 h GLY 1128Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3lq8 h GLY 1128CO -0.33 0.21 0.53 -2.22 0.00 0.00 0.00 176.54 174.73 3lq8 h ILE 1129N 0.51 1.25 -0.77 2.60 1.08 -0.75 -2.61 117.51 118.82 3lq8 h ILE 1129Ca 0.14 -0.57 0.18 0.00 -0.39 0.00 0.00 64.86 64.22 3lq8 h ILE 1129Cb -0.03 -0.01 -0.13 0.00 -3.07 0.00 0.00 36.82 33.59 3lq8 h ILE 1129CO -0.03 0.27 0.10 0.40 -0.69 0.00 0.00 178.15 178.20 3lq8 h ILE 1130N 1.25 0.39 0.00 -0.67 2.04 -1.21 -1.93 117.51 117.38 3lq8 h ILE 1130Ca 0.32 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.12 3lq8 h ILE 1130Cb -0.03 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3lq8 h ILE 1130CO -0.06 0.03 0.00 0.24 0.00 0.00 0.00 178.15 178.36 3lq8 h MET 1131N 0.17 0.00 -0.93 2.37 2.86 -1.56 -3.38 114.93 114.47 3lq8 h MET 1131Ca 0.44 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.21 3lq8 h MET 1131Cb 0.79 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.37 3lq8 h MET 1131CO -0.61 0.00 0.55 -0.22 1.06 0.00 0.00 176.91 177.68 3lq8 h LYS 1132N 0.00 0.79 -0.15 1.72 3.64 -1.30 -1.15 116.57 120.12 3lq8 h LYS 1132Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3lq8 h LYS 1132Cb 0.48 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3lq8 h LYS 1132CO 0.00 0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 177.46 3lq8 n ASP 1133N -4.74 3.16 -4.64 4.20 8.00 -1.26 -4.80 116.55 116.47 3lq8 n ASP 1133Ca 0.18 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3lq8 n ASP 1133Cb 0.40 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3lq8 n ASP 1133CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3lq8 s PHE 1134N -1.82 1.50 -0.33 1.24 0.08 -0.43 -4.92 117.98 113.29 3lq8 s PHE 1134Ca 0.32 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.41 3lq8 s PHE 1134Cb 0.21 -4.08 0.11 0.00 -0.57 0.00 0.00 43.02 38.69 3lq8 s PHE 1134CO 0.31 -4.51 0.12 -1.54 -0.10 0.00 0.00 175.22 169.50 3lq8 s SER 1135N 5.18 3.94 -0.12 1.36 1.04 -1.26 -4.76 113.70 119.08 3lq8 s SER 1135Ca 0.86 -1.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.37 3lq8 s SER 1135Cb -0.36 -0.85 0.04 0.00 0.10 0.00 0.00 66.02 64.95 3lq8 s SER 1135CO 0.36 -0.40 0.43 -2.28 0.98 0.00 0.00 173.24 172.33 3lq8 s HIS 1136N 1.47 -0.42 -0.38 5.02 5.04 -1.26 -5.05 115.29 119.70 3lq8 s HIS 1136Ca 0.11 0.95 0.22 0.00 -1.54 0.00 0.00 55.06 54.80 3lq8 s HIS 1136Cb -0.18 0.17 1.03 0.00 0.04 0.00 0.00 32.58 33.63 3lq8 s HIS 1136CO -0.22 -0.30 1.66 -0.35 -2.34 0.00 0.00 174.74 173.19 3lq8 n PRO 1137N 2.30 0.16 -0.50 2.88 -0.04 -1.26 -2.13 135.00 136.41 3lq8 n PRO 1137Ca -0.16 0.52 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 3lq8 n PRO 1137Cb 0.57 -1.89 0.28 0.00 -0.04 0.00 0.00 33.50 32.41 3lq8 n PRO 1137CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3lq8 n ASN 1138N -2.21 4.12 -4.14 3.54 4.13 -1.26 -4.72 115.26 114.72 3lq8 n ASN 1138Ca 0.01 -2.92 -0.26 0.00 1.68 0.00 0.00 54.58 53.09 3lq8 n ASN 1138Cb 0.13 -0.55 -0.16 0.00 -1.54 0.00 0.00 39.78 37.67 3lq8 n ASN 1138CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3lq8 s VAL 1139N -2.67 1.41 0.27 2.41 1.01 -0.91 -0.47 120.40 121.46 3lq8 s VAL 1139Ca 0.43 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3lq8 s VAL 1139Cb 0.34 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 3lq8 s VAL 1139CO 0.11 0.41 1.46 -0.22 0.00 0.00 0.00 175.10 176.85 3lq8 s LEU 1140N -0.04 4.38 0.28 3.92 2.96 0.57 -4.57 118.68 126.18 3lq8 s LEU 1140Ca -0.02 2.74 0.07 0.00 -0.22 0.00 0.00 54.13 56.71 3lq8 s LEU 1140Cb -0.11 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3lq8 s LEU 1140CO 0.02 -0.73 0.26 -0.94 -1.32 0.00 0.00 176.35 173.63 3lq8 s SER 1141N 0.27 5.54 -0.21 3.68 1.04 -1.26 -4.92 113.70 117.84 3lq8 s SER 1141Ca 0.59 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 3lq8 s SER 1141Cb -0.43 -1.30 -0.05 0.00 0.10 0.00 0.00 66.02 64.35 3lq8 s SER 1141CO 0.46 -0.16 0.17 -0.22 0.98 0.00 0.00 173.24 174.47 3lq8 s LEU 1142N -3.92 4.18 0.12 2.42 2.96 -1.26 -4.22 118.68 118.96 3lq8 s LEU 1142Ca 0.36 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.46 3lq8 s LEU 1142Cb -0.07 -2.15 -0.11 0.00 0.50 0.00 0.00 46.19 44.36 3lq8 s LEU 1142CO 0.26 0.12 1.29 -0.07 -1.32 0.00 0.00 176.35 176.63 3lq8 h LEU 1143N 7.02 0.55 0.00 -0.68 3.38 -0.83 -3.49 115.31 121.27 3lq8 h LEU 1143Ca -0.40 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3lq8 h LEU 1143Cb 1.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3lq8 h LEU 1143CO 0.72 1.25 0.00 0.61 0.09 0.00 0.00 178.44 181.11 3lq8 n GLY 1144N 0.97 -1.39 3.01 0.83 0.00 -1.10 -4.99 105.19 102.52 3lq8 n GLY 1144Ca -0.07 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 3lq8 n GLY 1144CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lq8 s ILE 1145N -2.99 0.93 -0.28 -0.61 1.01 0.34 -0.68 121.20 118.91 3lq8 s ILE 1145Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3lq8 s ILE 1145Cb 0.00 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.67 3lq8 s ILE 1145CO 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 174.94 175.21 3lq8 s LEU 1147N 1.28 4.12 0.00 0.00 1.43 -1.26 -0.58 118.68 123.68 3lq8 s LEU 1147Ca -0.03 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3lq8 s LEU 1147Cb -0.18 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3lq8 s LEU 1147CO -0.02 -0.23 0.00 -0.24 0.23 0.00 0.00 176.35 176.08 3lq8 n SER 1152N 5.38 0.00 -4.74 2.29 2.88 -1.26 -4.94 113.62 113.23 3lq8 n SER 1152Ca -0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.12 3lq8 n SER 1152Cb 0.50 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.04 3lq8 n SER 1152CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3lq8 s PRO 1153N 0.00 2.38 -0.15 -1.46 0.04 -1.26 -4.93 135.00 129.62 3lq8 s PRO 1153Ca 0.00 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.71 3lq8 s PRO 1153Cb 0.00 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.68 3lq8 s PRO 1153CO 0.00 -1.62 -0.20 -0.51 0.04 0.00 0.00 177.00 174.71 3lq8 s LEU 1154N -5.00 2.02 -0.21 -3.56 1.43 0.25 -4.30 118.68 109.32 3lq8 s LEU 1154Ca 0.72 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3lq8 s LEU 1154Cb -0.26 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3lq8 s LEU 1154CO 0.43 0.04 0.41 -0.69 0.23 0.00 0.00 176.35 176.77 3lq8 s VAL 1155N 1.04 5.19 -0.19 -1.59 1.01 -0.83 0.51 120.40 125.53 3lq8 s VAL 1155Ca -0.02 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 3lq8 s VAL 1155Cb -0.14 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3lq8 s VAL 1155CO -0.06 0.24 -0.04 -0.69 0.00 0.00 0.00 175.10 174.55 3lq8 s VAL 1156N 1.41 3.63 0.13 2.92 1.01 0.14 -0.79 120.40 128.85 3lq8 s VAL 1156Ca 0.19 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.85 3lq8 s VAL 1156Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3lq8 s VAL 1156CO 0.08 0.45 -0.25 -0.76 0.00 0.00 0.00 175.10 174.62 3lq8 s LEU 1157N 1.01 2.33 0.53 3.92 2.01 -0.31 -0.08 118.68 128.08 3lq8 s LEU 1157Ca 0.01 -0.75 -0.22 0.00 0.01 0.00 0.00 54.13 53.18 3lq8 s LEU 1157Cb -0.15 -1.13 -0.05 0.00 0.01 0.00 0.00 46.19 44.87 3lq8 s LEU 1157CO 0.01 0.14 1.33 -2.16 1.01 0.00 0.00 176.35 176.68 3lq8 s PRO 1158N -2.08 3.25 0.21 1.29 0.04 -1.26 -0.99 135.00 135.47 3lq8 s PRO 1158Ca 0.13 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 3lq8 s PRO 1158Cb -0.10 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 3lq8 s PRO 1158CO 0.06 -1.08 1.20 -0.47 0.04 0.00 0.00 177.00 176.75 3lq8 s TYR 1159N -1.34 3.41 -0.39 0.56 5.04 -1.22 -4.42 117.35 118.99 3lq8 s TYR 1159Ca 0.70 1.46 -0.00 0.00 -2.44 0.00 0.00 57.07 56.78 3lq8 s TYR 1159Cb -0.38 -3.44 0.11 0.00 0.35 0.00 0.00 41.96 38.60 3lq8 s TYR 1159CO 0.46 -1.19 0.16 -1.64 -1.34 0.00 0.00 175.55 172.00 3lq8 s MET 1160N -0.56 1.84 0.25 4.97 -1.94 -1.26 -4.81 119.30 117.79 3lq8 s MET 1160Ca 0.51 -1.88 -0.03 0.00 -1.71 0.00 0.00 55.69 52.58 3lq8 s MET 1160Cb -0.33 -3.46 0.46 0.00 2.01 0.00 0.00 34.83 33.51 3lq8 s MET 1160CO 0.39 -1.03 1.77 -0.22 -0.01 0.00 0.00 175.02 175.91 3lq8 h LYS 1161N 7.84 0.61 -0.19 2.03 3.64 -1.83 -1.00 116.57 127.67 3lq8 h LYS 1161Ca -0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3lq8 h LYS 1161Cb 1.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3lq8 h LYS 1161CO 0.64 0.40 0.00 0.72 -2.27 0.00 0.00 179.45 178.94 3lq8 n HIS 1162N -4.86 0.24 -4.47 1.91 8.25 -0.44 -4.99 115.22 110.85 3lq8 n HIS 1162Ca 0.15 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3lq8 n HIS 1162Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3lq8 n HIS 1162CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lq8 n GLY 1163N 1.16 0.39 3.84 -1.41 0.00 -0.38 -4.51 105.19 104.27 3lq8 n GLY 1163Ca 0.16 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3lq8 n GLY 1163CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3lq8 s ASP 1164N -4.00 6.76 0.39 1.61 -4.77 -1.26 -0.75 116.67 114.65 3lq8 s ASP 1164Ca 0.00 1.56 0.06 0.00 -3.30 0.00 0.00 52.55 50.87 3lq8 s ASP 1164Cb 0.00 -2.50 0.78 0.00 -1.09 0.00 0.00 42.92 40.11 3lq8 s ASP 1164CO 0.00 -0.44 2.00 0.25 0.70 0.00 0.00 175.17 177.68 3lq8 h LEU 1165N 1.47 0.48 -0.25 2.11 5.85 -0.20 -0.27 115.31 124.51 3lq8 h LEU 1165Ca -0.48 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 3lq8 h LEU 1165Cb 1.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3lq8 h LEU 1165CO 0.62 0.41 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.97 3lq8 h ARG 1166N 0.54 0.49 -0.59 1.25 2.43 -1.77 -2.08 114.38 114.65 3lq8 h ARG 1166Ca 0.14 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3lq8 h ARG 1166Cb 0.06 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3lq8 h ARG 1166CO -0.02 0.72 0.01 -0.91 -1.51 0.00 0.00 179.97 178.26 3lq8 h ASN 1167N 0.23 1.01 -0.42 -3.80 2.35 -1.81 -2.71 115.58 110.44 3lq8 h ASN 1167Ca 0.06 -0.30 0.07 0.00 -0.55 0.00 0.00 56.30 55.58 3lq8 h ASN 1167Cb 0.55 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3lq8 h ASN 1167CO 0.03 1.07 0.07 0.15 -1.65 0.00 0.00 177.43 177.10 3lq8 h PHE 1168N 0.93 0.12 0.00 1.19 3.57 -0.94 -2.48 116.94 119.33 3lq8 h PHE 1168Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3lq8 h PHE 1168Cb 0.54 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3lq8 h PHE 1168CO 0.04 -0.00 0.00 -0.84 -2.23 0.00 0.00 178.31 175.28 3lq8 h ILE 1169N 0.20 0.00 0.00 1.41 3.07 -1.30 -2.99 117.51 117.90 3lq8 h ILE 1169Ca 0.20 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.74 3lq8 h ILE 1169Cb 0.26 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 3lq8 h ILE 1169CO -0.28 0.00 -0.20 0.03 -1.05 0.00 0.00 178.15 176.65 3lq8 h ARG 1170N 0.00 0.00 -6.14 0.16 3.08 -1.18 -3.44 114.38 106.85 3lq8 h ARG 1170Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3lq8 h ARG 1170Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3lq8 h ARG 1170CO 0.00 0.00 1.37 1.21 -1.07 0.00 0.00 179.97 181.48 3lq8 s ASN 1171N -4.85 5.67 0.58 7.04 3.84 -0.96 -4.89 114.94 121.38 3lq8 s ASN 1171Ca 0.08 1.49 0.33 0.00 0.21 0.00 0.00 52.86 54.97 3lq8 s ASN 1171Cb 0.11 -2.52 1.79 0.00 -0.55 0.00 0.00 41.25 40.08 3lq8 s ASN 1171CO 0.65 -1.85 2.00 -0.33 -2.79 0.00 0.00 177.10 174.78 3lq8 h GLU 1172N 13.92 0.00 -0.01 0.43 5.08 -1.90 -3.14 114.58 128.96 3lq8 h GLU 1172Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3lq8 h GLU 1172Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3lq8 h GLU 1172CO 1.01 0.00 -0.27 0.25 -1.00 0.00 0.00 179.01 179.01 3lq8 n THR 1173N -2.79 0.00 -4.70 1.13 -2.24 -1.26 -4.80 114.28 99.62 3lq8 n THR 1173Ca -0.02 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 3lq8 n THR 1173Cb 0.20 0.40 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 3lq8 n THR 1173CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3lq8 s HIS 1174N -2.52 1.88 -0.55 4.78 5.65 -1.19 -5.10 115.29 118.24 3lq8 s HIS 1174Ca 0.24 -0.38 0.00 0.00 0.25 0.00 0.00 55.06 55.17 3lq8 s HIS 1174Cb 0.19 -1.13 0.14 0.00 -1.18 0.00 0.00 32.58 30.60 3lq8 s HIS 1174CO 0.53 0.09 0.33 1.21 -0.65 0.00 0.00 174.74 176.24 3lq8 s ASN 1175N -1.14 4.84 0.28 9.88 3.04 -1.26 -4.89 114.94 125.70 3lq8 s ASN 1175Ca 0.08 -2.82 -0.29 0.00 0.04 0.00 0.00 52.86 49.86 3lq8 s ASN 1175Cb -0.09 -1.75 -0.10 0.00 -1.54 0.00 0.00 41.25 37.77 3lq8 s ASN 1175CO 0.02 -0.33 1.20 -2.16 -3.04 0.00 0.00 177.10 172.79 3lq8 s PRO 1176N -0.02 4.50 0.74 0.43 0.04 -1.26 -5.00 135.00 134.43 3lq8 s PRO 1176Ca 0.16 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 3lq8 s PRO 1176Cb -0.23 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.19 3lq8 s PRO 1176CO -0.02 0.00 1.10 0.95 0.04 0.00 0.00 177.00 179.07 3lq8 s THR 1177N -0.93 3.34 0.31 1.26 -4.23 -1.26 -4.87 115.64 109.27 3lq8 s THR 1177Ca 0.48 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 3lq8 s THR 1177Cb -0.35 -3.34 0.31 0.00 1.34 0.00 0.00 72.50 70.45 3lq8 s THR 1177CO 0.45 -0.57 1.80 0.58 -0.54 0.00 0.00 174.62 176.33 3lq8 h VAL 1178N -0.81 0.75 -0.43 2.29 2.07 -1.97 -1.01 116.25 117.14 3lq8 h VAL 1178Ca -0.46 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3lq8 h VAL 1178Cb 1.26 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3lq8 h VAL 1178CO 0.62 0.14 0.20 0.50 0.02 0.00 0.00 177.57 179.05 3lq8 h LYS 1179N 0.76 0.63 -0.68 1.57 3.64 -1.95 -1.66 116.57 118.88 3lq8 h LYS 1179Ca 0.55 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 3lq8 h LYS 1179Cb 0.85 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3lq8 h LYS 1179CO -0.33 0.55 0.45 -0.44 -2.27 0.00 0.00 179.45 177.41 3lq8 h ASP 1180N 0.55 0.79 -0.19 4.20 3.32 -1.64 0.28 116.42 123.73 3lq8 h ASP 1180Ca 0.15 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3lq8 h ASP 1180Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3lq8 h ASP 1180CO -0.02 0.57 0.02 -0.07 -1.72 0.00 0.00 179.24 178.02 3lq8 h LEU 1181N 0.93 0.31 -0.75 1.55 3.38 -1.08 -0.06 115.31 119.60 3lq8 h LEU 1181Ca 0.25 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3lq8 h LEU 1181Cb -0.11 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3lq8 h LEU 1181CO -0.05 0.52 0.40 0.40 0.09 0.00 0.00 178.44 179.80 3lq8 h ILE 1182N 0.10 0.89 -0.66 1.22 2.04 -1.24 -2.19 117.51 117.67 3lq8 h ILE 1182Ca 0.06 -0.24 0.11 0.00 1.00 0.00 0.00 64.86 65.79 3lq8 h ILE 1182Cb 0.35 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 3lq8 h ILE 1182CO 0.01 0.13 0.23 1.23 0.00 0.00 0.00 178.15 179.75 3lq8 h GLY 1183N 0.69 0.94 1.40 5.37 0.00 -0.59 -0.48 103.07 110.40 3lq8 h GLY 1183Ca 0.36 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 3lq8 h GLY 1183CO -0.25 -0.06 -0.16 0.74 0.00 0.00 0.00 176.54 176.81 3lq8 h PHE 1184N 0.39 0.78 -0.78 5.60 0.04 -0.69 -1.51 116.94 120.77 3lq8 h PHE 1184Ca 0.35 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 3lq8 h PHE 1184Cb 0.48 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3lq8 h PHE 1184CO -0.18 0.82 0.36 0.78 -0.60 0.00 0.00 178.31 179.48 3lq8 h GLY 1185N 0.98 1.22 0.86 -1.45 0.00 -0.76 -1.50 103.07 102.41 3lq8 h GLY 1185Ca 0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3lq8 h GLY 1185CO 0.04 0.59 0.04 -2.00 0.00 0.00 0.00 176.54 175.21 3lq8 h LEU 1186N 1.11 0.16 -0.57 3.11 5.85 -0.73 -0.23 115.31 124.01 3lq8 h LEU 1186Ca 0.27 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.89 3lq8 h LEU 1186Cb 0.15 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 3lq8 h LEU 1186CO -0.03 0.30 0.20 1.56 -0.34 0.00 0.00 178.44 180.13 3lq8 h GLN 1187N 0.02 0.37 -0.64 1.25 4.20 -1.15 -1.07 115.11 118.09 3lq8 h GLN 1187Ca 0.04 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3lq8 h GLN 1187Cb 0.19 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3lq8 h GLN 1187CO -0.00 0.24 0.42 0.28 -0.67 0.00 0.00 178.83 179.11 3lq8 h VAL 1188N 0.38 1.16 -0.88 -0.54 2.07 -1.06 -1.71 116.25 115.67 3lq8 h VAL 1188Ca 0.28 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3lq8 h VAL 1188Cb 0.34 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3lq8 h VAL 1188CO -0.29 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.03 3lq8 h ALA 1189N 1.24 1.50 -0.38 1.67 0.00 -0.22 -0.83 119.26 122.24 3lq8 h ALA 1189Ca 0.24 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3lq8 h ALA 1189Cb -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3lq8 h ALA 1189CO -0.06 0.39 -0.38 0.87 0.00 0.00 0.00 179.25 180.07 3lq8 h LYS 1190N 1.04 0.92 -0.67 0.00 1.57 -0.75 -0.37 116.57 118.30 3lq8 h LYS 1190Ca 0.37 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3lq8 h LYS 1190Cb 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3lq8 h LYS 1190CO -0.12 1.13 0.27 0.78 -0.57 0.00 0.00 179.45 180.94 3lq8 h GLY 1191N 0.80 1.07 1.42 3.86 0.00 -0.87 -2.74 103.07 106.61 3lq8 h GLY 1191Ca 0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 3lq8 h GLY 1191CO 0.09 0.54 -0.42 -0.33 0.00 0.00 0.00 176.54 176.43 3lq8 h MET 1192N 0.95 0.64 -0.67 4.80 2.86 -1.01 -0.96 114.93 121.54 3lq8 h MET 1192Ca 0.22 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3lq8 h MET 1192Cb 0.20 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3lq8 h MET 1192CO -0.02 0.94 0.41 -0.22 1.06 0.00 0.00 176.91 179.08 3lq8 h LYS 1193N 0.52 0.76 0.19 1.72 3.64 -1.02 0.21 116.57 122.60 3lq8 h LYS 1193Ca 0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3lq8 h LYS 1193Cb 0.95 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3lq8 h LYS 1193CO 0.09 0.51 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.76 3lq8 h TYR 1194N 0.79 -0.24 -0.85 1.91 3.20 -1.31 -0.33 116.97 120.14 3lq8 h TYR 1194Ca 0.27 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.20 3lq8 h TYR 1194Cb 0.05 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 3lq8 h TYR 1194CO -0.05 -0.04 0.52 -0.07 -1.64 0.00 0.00 178.16 176.88 3lq8 h LEU 1195N -0.40 0.82 -0.74 2.82 3.38 -0.91 -2.15 115.31 118.14 3lq8 h LEU 1195Ca -0.03 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3lq8 h LEU 1195Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3lq8 h LEU 1195CO 0.04 0.53 -0.03 0.00 0.09 0.00 0.00 178.44 179.07 3lq8 h ALA 1196N 1.40 0.94 -0.58 1.53 0.00 -0.47 -1.43 119.26 120.64 3lq8 h ALA 1196Ca 0.37 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3lq8 h ALA 1196Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3lq8 h ALA 1196CO -0.17 0.63 0.40 0.66 0.00 0.00 0.00 179.25 180.77 3lq8 h SER 1197N 0.85 0.17 -0.18 0.00 4.64 -0.41 -0.18 113.55 118.43 3lq8 h SER 1197Ca 0.15 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3lq8 h SER 1197Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3lq8 h SER 1197CO 0.03 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 3lq8 n LYS 1198N -4.43 1.73 -1.86 4.77 4.76 -0.61 -4.91 118.16 117.61 3lq8 n LYS 1198Ca 0.10 -1.10 -0.18 0.00 -2.87 0.00 0.00 58.31 54.26 3lq8 n LYS 1198Cb 0.52 -1.38 -0.05 0.00 -1.84 0.00 0.00 35.03 32.28 3lq8 n LYS 1198CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3lq8 n LYS 1199N 0.33 -1.35 -3.09 1.97 5.02 -0.08 -4.97 118.16 116.00 3lq8 n LYS 1199Ca 0.16 1.04 -0.39 0.00 -2.02 0.00 0.00 58.31 57.10 3lq8 n LYS 1199Cb 0.32 -5.42 -0.05 0.00 -0.02 0.00 0.00 35.03 29.87 3lq8 n LYS 1199CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3lq8 s PHE 1200N -2.77 3.59 -0.27 2.13 5.36 -0.77 -5.01 117.98 120.23 3lq8 s PHE 1200Ca 0.00 1.21 -0.11 0.00 -0.96 0.00 0.00 56.93 57.07 3lq8 s PHE 1200Cb 0.00 -2.75 -0.05 0.00 -0.34 0.00 0.00 43.02 39.88 3lq8 s PHE 1200CO 0.00 0.13 0.17 0.08 -1.46 0.00 0.00 175.22 174.15 3lq8 s VAL 1201N 0.64 5.21 -0.02 3.12 1.01 -1.26 -4.21 120.40 124.88 3lq8 s VAL 1201Ca 0.35 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 3lq8 s VAL 1201Cb -0.18 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.57 3lq8 s VAL 1201CO 0.17 0.27 1.02 -0.74 0.00 0.00 0.00 175.10 175.83 3lq8 h HIS 1202N 8.22 -0.29 0.00 5.22 2.76 -1.97 -3.47 115.15 125.61 3lq8 h HIS 1202Ca -0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 3lq8 h HIS 1202Cb 1.19 0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.24 3lq8 h HIS 1202CO 0.74 0.09 0.00 0.54 -1.30 0.00 0.00 177.93 177.99 3lq8 n ARG 1203N -5.02 0.00 -2.81 5.26 1.74 -1.26 -4.78 116.66 109.79 3lq8 n ARG 1203Ca -0.08 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 3lq8 n ARG 1203Cb 0.26 -1.38 0.05 0.00 -1.02 0.00 0.00 32.46 30.37 3lq8 n ARG 1203CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3lq8 n ASP 1204N 0.00 1.37 -4.69 0.55 2.03 -1.26 -4.89 116.55 109.67 3lq8 n ASP 1204Ca 0.00 -2.11 -0.42 0.00 0.52 0.00 0.00 54.79 52.78 3lq8 n ASP 1204Cb 0.00 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 3lq8 n ASP 1204CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3lq8 s LEU 1205N -3.75 4.33 -0.06 -2.67 2.96 -1.26 -4.82 118.68 113.42 3lq8 s LEU 1205Ca 0.26 2.23 -0.29 0.00 -0.22 0.00 0.00 54.13 56.11 3lq8 s LEU 1205Cb 0.34 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.58 3lq8 s LEU 1205CO -0.04 -0.77 0.92 0.00 -1.32 0.00 0.00 176.35 175.15 3lq8 s ALA 1206N 2.45 -1.86 0.52 5.97 0.00 -1.26 -4.68 121.76 122.89 3lq8 s ALA 1206Ca 0.67 1.21 0.18 0.00 0.00 0.00 0.00 51.96 54.01 3lq8 s ALA 1206Cb -0.34 0.07 1.29 0.00 0.00 0.00 0.00 23.12 24.14 3lq8 s ALA 1206CO 0.28 -0.57 2.11 0.00 0.00 0.00 0.00 175.76 177.59 3lq8 h ALA 1207N 2.19 2.10 0.00 0.00 0.00 -1.93 -1.80 119.26 119.82 3lq8 h ALA 1207Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3lq8 h ALA 1207Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3lq8 h ALA 1207CO 0.31 -0.14 0.00 0.07 0.00 0.00 0.00 179.25 179.49 3lq8 h ARG 1208N 0.02 0.00 -0.22 0.00 0.11 -1.95 -2.61 114.38 109.72 3lq8 h ARG 1208Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3lq8 h ARG 1208Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3lq8 h ARG 1208CO -0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3lq8 n ASN 1209N -2.49 2.67 -4.67 0.08 3.02 -0.68 -4.82 115.26 108.37 3lq8 n ASN 1209Ca 0.01 -1.79 -0.35 0.00 -0.03 0.00 0.00 54.58 52.43 3lq8 n ASN 1209Cb 0.22 -0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.16 3lq8 n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lq8 s MET 1211N -0.40 2.52 -0.05 0.00 -1.94 0.37 0.22 119.30 120.04 3lq8 s MET 1211Ca 0.08 -1.48 -0.02 0.00 -1.71 0.00 0.00 55.69 52.56 3lq8 s MET 1211Cb -0.12 -2.31 0.03 0.00 2.01 0.00 0.00 34.83 34.44 3lq8 s MET 1211CO 0.02 0.01 0.08 -1.17 -0.01 0.00 0.00 175.02 173.96 3lq8 s LEU 1212N -3.97 0.42 0.00 -0.03 2.96 0.07 -0.60 118.68 117.53 3lq8 s LEU 1212Ca 0.42 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 3lq8 s LEU 1212Cb -0.03 0.02 0.07 0.00 0.50 0.00 0.00 46.19 46.75 3lq8 s LEU 1212CO 0.25 -0.20 0.48 -0.90 -1.32 0.00 0.00 176.35 174.66 3lq8 n ASP 1213N 4.87 0.64 0.25 3.68 5.68 -0.30 -1.32 116.55 130.04 3lq8 n ASP 1213Ca -0.13 -1.54 0.10 0.00 -0.50 0.00 0.00 54.79 52.72 3lq8 n ASP 1213Cb 0.50 -0.31 0.64 0.00 -1.14 0.00 0.00 41.12 40.81 3lq8 n ASP 1213CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3lq8 h GLU 1214N 0.00 0.00 -0.53 0.11 4.11 -1.90 0.34 114.58 116.71 3lq8 h GLU 1214Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3lq8 h GLU 1214Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3lq8 h GLU 1214CO 0.17 0.15 0.00 1.63 0.07 0.00 0.00 179.01 181.03 3lq8 n LYS 1215N -3.91 2.20 -3.81 1.06 5.02 -1.26 -4.92 118.16 112.55 3lq8 n LYS 1215Ca -0.02 -1.32 -0.30 0.00 -2.02 0.00 0.00 58.31 54.66 3lq8 n LYS 1215Cb 0.24 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3lq8 n LYS 1215CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3lq8 n PHE 1216N 0.41 -2.07 -3.13 2.13 3.72 0.11 -4.98 117.46 113.65 3lq8 n PHE 1216Ca 0.12 0.77 -0.39 0.00 -0.05 0.00 0.00 57.45 57.89 3lq8 n PHE 1216Cb 0.45 -3.57 -0.05 0.00 -0.94 0.00 0.00 39.48 35.37 3lq8 n PHE 1216CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3lq8 s THR 1217N -3.20 5.07 0.07 4.37 2.01 -1.26 -4.85 115.64 117.85 3lq8 s THR 1217Ca 0.61 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 63.58 3lq8 s THR 1217Cb -0.31 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3lq8 s THR 1217CO 0.75 0.22 0.93 -0.69 -0.69 0.00 0.00 174.62 175.14 3lq8 s VAL 1218N 1.10 4.64 -0.23 3.82 1.01 -1.26 -1.15 120.40 128.33 3lq8 s VAL 1218Ca 0.32 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.31 3lq8 s VAL 1218Cb -0.16 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 31.98 3lq8 s VAL 1218CO 0.14 0.29 -0.14 -0.54 0.00 0.00 0.00 175.10 174.85 3lq8 s LYS 1219N 0.25 2.45 0.17 2.72 -0.14 0.23 -4.22 119.74 121.20 3lq8 s LYS 1219Ca 0.46 -1.15 -0.31 0.00 -1.36 0.00 0.00 55.97 53.61 3lq8 s LYS 1219Cb -0.22 -2.76 -0.09 0.00 -1.68 0.00 0.00 37.83 33.08 3lq8 s LYS 1219CO 0.28 -0.45 1.48 0.08 -0.76 0.00 0.00 175.35 175.98 3lq8 s VAL 1220N 1.18 2.85 0.10 3.17 1.01 0.39 -0.48 120.40 128.62 3lq8 s VAL 1220Ca -0.04 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 3lq8 s VAL 1220Cb -0.18 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3lq8 s VAL 1220CO -0.08 0.06 0.15 0.00 0.00 0.00 0.00 175.10 175.23 3lq8 n ALA 1221N 3.59 -0.15 -3.59 5.51 0.00 -0.34 -0.31 120.51 125.21 3lq8 n ALA 1221Ca 0.11 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 3lq8 n ALA 1221Cb 0.40 0.36 -0.12 0.00 0.00 0.00 0.00 19.45 20.09 3lq8 n ALA 1221CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3lq8 s ASP 1222N -1.61 0.43 0.57 0.00 -1.08 -1.25 -4.56 116.67 109.17 3lq8 s ASP 1222Ca 0.08 0.46 0.27 0.00 -0.52 0.00 0.00 52.55 52.84 3lq8 s ASP 1222Cb -0.00 0.79 1.56 0.00 -1.46 0.00 0.00 42.92 43.81 3lq8 s ASP 1222CO 0.06 -0.26 2.07 -0.26 0.52 0.00 0.00 175.17 177.29 3lq8 h PHE 1223N 8.26 0.00 0.00 -5.34 -1.00 -1.89 -3.46 116.94 113.51 3lq8 h PHE 1223Ca -0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.63 3lq8 h PHE 1223Cb 1.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.68 3lq8 h PHE 1223CO 0.29 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.40 3lq8 n GLY 1224N -1.47 3.83 0.27 -1.45 0.00 -1.26 -2.02 105.19 103.09 3lq8 n GLY 1224Ca 0.03 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.22 3lq8 n GLY 1224CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3lq8 h LEU 1225N 0.00 0.00 -1.82 0.99 3.38 -1.99 -2.91 115.31 112.97 3lq8 h LEU 1225Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lq8 h LEU 1225Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3lq8 h LEU 1225CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3lq8 n ALA 1226N -2.00 2.85 -1.81 1.53 0.00 -0.86 -2.93 120.51 117.29 3lq8 n ALA 1226Ca -0.01 -0.79 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 3lq8 n ALA 1226Cb 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3lq8 n ALA 1226CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lq8 s ARG 1227N -1.70 4.16 0.00 0.00 6.06 -1.10 -4.58 118.95 121.79 3lq8 s ARG 1227Ca 0.25 2.45 0.00 0.00 -2.50 0.00 0.00 55.73 55.93 3lq8 s ARG 1227Cb 0.17 -3.90 0.00 0.00 0.06 0.00 0.00 34.95 31.27 3lq8 s ARG 1227CO 0.11 -0.86 0.11 -0.40 -2.50 0.00 0.00 175.30 171.76 3lq8 n ASP 1228N 6.71 0.00 0.00 -2.12 5.68 -1.26 -4.32 116.55 121.23 3lq8 n ASP 1228Ca 0.18 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 3lq8 n ASP 1228Cb 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 3lq8 n ASP 1228CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3lq8 n ASP 1231N -0.19 0.00 0.01 -1.12 2.03 -1.26 -4.88 116.55 111.14 3lq8 n ASP 1231Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 3lq8 n ASP 1231Cb 0.00 -0.29 0.11 0.00 -0.72 0.00 0.00 41.12 40.22 3lq8 n ASP 1231CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3lq8 n LYS 1232N -1.99 0.11 0.34 -0.67 2.85 -1.26 -3.88 118.16 113.66 3lq8 n LYS 1232Ca 0.00 0.01 0.22 0.00 -1.05 0.00 0.00 58.31 57.49 3lq8 n LYS 1232Cb 0.00 -1.54 1.20 0.00 -0.65 0.00 0.00 35.03 34.03 3lq8 n LYS 1232CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3lq8 h GLU 1233N 0.00 0.00 -0.00 -1.58 3.07 -2.03 -2.53 114.58 111.52 3lq8 h GLU 1233Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3lq8 h GLU 1233Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3lq8 h GLU 1233CO 0.00 0.00 -0.01 0.66 -1.40 0.00 0.00 179.01 178.26 3lq8 n TYR 1234N -3.13 0.00 -4.97 4.33 4.01 -1.25 -4.75 117.16 111.40 3lq8 n TYR 1234Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.39 3lq8 n TYR 1234Cb 0.08 -0.12 -0.14 0.00 -0.31 0.00 0.00 39.34 38.85 3lq8 n TYR 1234CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3lq8 s TYR 1235N -2.26 2.63 -0.41 -0.72 1.51 -0.95 -3.67 117.35 113.48 3lq8 s TYR 1235Ca 0.38 -0.23 0.09 0.00 -1.01 0.00 0.00 57.07 56.30 3lq8 s TYR 1235Cb 0.21 -1.61 0.29 0.00 -0.11 0.00 0.00 41.96 40.74 3lq8 s TYR 1235CO 0.41 0.13 0.72 0.45 -1.11 0.00 0.00 175.55 176.15 3lq8 n SER 1236N 2.37 -0.37 0.00 2.29 2.88 -0.31 -4.77 113.62 115.71 3lq8 n SER 1236Ca -0.17 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 3lq8 n SER 1236Cb 0.52 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3lq8 n SER 1236CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lq8 n ALA 1243N 0.93 -0.85 -2.62 -1.46 0.00 -1.26 -2.37 120.51 112.88 3lq8 n ALA 1243Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 3lq8 n ALA 1243Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 3lq8 n ALA 1243CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3lq8 s LYS 1244N 0.00 4.02 -0.12 0.00 -0.14 -1.26 -5.07 119.74 117.18 3lq8 s LYS 1244Ca 0.00 0.73 0.02 0.00 -1.36 0.00 0.00 55.97 55.36 3lq8 s LYS 1244Cb 0.00 -3.71 0.01 0.00 -1.68 0.00 0.00 37.83 32.45 3lq8 s LYS 1244CO 0.00 -0.67 -0.16 -0.51 -0.76 0.00 0.00 175.35 173.24 3lq8 s LEU 1245N 3.02 1.79 -1.34 3.17 1.43 -1.00 -5.03 118.68 120.72 3lq8 s LEU 1245Ca 0.35 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3lq8 s LEU 1245Cb -0.14 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3lq8 s LEU 1245CO 0.12 0.02 2.12 -0.81 0.23 0.00 0.00 176.35 178.02 3lq8 n PRO 1246N 4.24 2.68 -0.26 1.29 -0.04 -1.26 -1.16 135.00 140.48 3lq8 n PRO 1246Ca -0.19 -2.58 0.07 0.00 -0.04 0.00 0.00 63.50 60.77 3lq8 n PRO 1246Cb 0.51 -3.27 0.31 0.00 -0.04 0.00 0.00 33.50 31.01 3lq8 n PRO 1246CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3lq8 h VAL 1247N 4.32 0.97 0.00 0.52 -1.51 -1.93 -1.67 116.25 116.94 3lq8 h VAL 1247Ca 0.53 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 3lq8 h VAL 1247Cb 0.68 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 3lq8 h VAL 1247CO 1.83 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 178.61 3lq8 n LYS 1248N -4.52 0.42 0.00 5.19 5.02 -1.26 -1.92 118.16 121.08 3lq8 n LYS 1248Ca 0.14 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 3lq8 n LYS 1248Cb 0.31 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.87 3lq8 n LYS 1248CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3lq8 n TRP 1249N -1.24 0.00 -3.11 2.13 8.01 -0.65 -5.01 117.44 117.57 3lq8 n TRP 1249Ca 0.13 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.94 3lq8 n TRP 1249Cb 0.18 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.42 3lq8 n TRP 1249CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3lq8 s MET 1250N -1.24 4.31 0.56 -0.99 -1.94 -0.81 -3.35 119.30 115.84 3lq8 s MET 1250Ca 0.16 0.90 -0.19 0.00 -1.71 0.00 0.00 55.69 54.86 3lq8 s MET 1250Cb 0.12 -3.04 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 3lq8 s MET 1250CO 0.19 0.48 1.12 0.00 -0.01 0.00 0.00 175.02 176.80 3lq8 s ALA 1251N -1.36 2.67 0.21 3.03 0.00 -1.26 -4.85 121.76 120.20 3lq8 s ALA 1251Ca 0.39 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3lq8 s ALA 1251Cb -0.19 -3.34 0.22 0.00 0.00 0.00 0.00 23.12 19.82 3lq8 s ALA 1251CO 0.22 -0.83 1.61 1.25 0.00 0.00 0.00 175.76 178.01 3lq8 h LEU 1252N 0.99 -0.78 -1.01 0.00 5.85 -1.93 -1.05 115.31 117.38 3lq8 h LEU 1252Ca -0.49 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3lq8 h LEU 1252Cb 1.25 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.75 3lq8 h LEU 1252CO 0.57 -0.25 0.00 1.05 -0.34 0.00 0.00 178.44 179.47 3lq8 h GLU 1253N -0.05 0.00 0.10 1.25 9.09 -1.92 -1.86 114.58 121.18 3lq8 h GLU 1253Ca 0.30 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.42 3lq8 h GLU 1253Cb 0.51 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.64 3lq8 h GLU 1253CO -0.69 0.00 -1.21 0.77 0.05 0.00 0.00 179.01 177.94 3lq8 h SER 1254N 0.00 0.81 -0.37 3.06 0.02 -1.42 -2.11 113.55 113.55 3lq8 h SER 1254Ca 0.00 -0.74 -0.02 0.00 -0.84 0.00 0.00 61.79 60.18 3lq8 h SER 1254Cb 0.60 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3lq8 h SER 1254CO 0.00 1.55 0.16 -0.07 -1.14 0.00 0.00 176.83 177.33 3lq8 h LEU 1255N 0.27 0.54 0.00 5.07 3.38 -0.91 1.10 115.31 124.76 3lq8 h LEU 1255Ca -0.17 -0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 3lq8 h LEU 1255Cb 1.88 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.44 3lq8 h LEU 1255CO 0.23 0.50 -1.51 1.56 0.09 0.00 0.00 178.44 179.31 3lq8 h GLN 1256N 0.60 0.00 -0.00 1.13 4.20 -1.40 -3.39 115.11 116.25 3lq8 h GLN 1256Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3lq8 h GLN 1256Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3lq8 h GLN 1256CO -0.01 0.51 -0.15 2.41 -0.67 0.00 0.00 178.83 180.92 3lq8 n THR 1257N -3.06 0.00 -1.50 -0.54 -1.04 -0.79 -4.99 114.28 102.36 3lq8 n THR 1257Ca -0.12 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.05 61.33 3lq8 n THR 1257Cb 0.98 1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 70.45 3lq8 n THR 1257CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lq8 n GLN 1258N -0.95 -1.38 -4.03 -2.82 6.02 0.38 -4.99 117.38 109.61 3lq8 n GLN 1258Ca 0.01 0.78 -0.32 0.00 -0.01 0.00 0.00 57.00 57.46 3lq8 n GLN 1258Cb 0.06 -5.07 -0.06 0.00 1.02 0.00 0.00 30.24 26.19 3lq8 n GLN 1258CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3lq8 s LYS 1259N -3.33 3.11 0.03 -1.09 1.02 -1.25 -5.02 119.74 113.21 3lq8 s LYS 1259Ca 0.00 -0.53 0.06 0.00 0.02 0.00 0.00 55.97 55.52 3lq8 s LYS 1259Cb 0.00 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 3lq8 s LYS 1259CO 0.00 0.61 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.80 3lq8 s PHE 1260N -1.34 1.59 0.27 3.18 0.08 -1.26 -3.72 117.98 116.78 3lq8 s PHE 1260Ca 0.28 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 3lq8 s PHE 1260Cb -0.12 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 3lq8 s PHE 1260CO 0.20 0.05 0.34 0.95 -0.10 0.00 0.00 175.22 176.66 3lq8 s THR 1261N -0.72 0.00 0.26 0.64 -4.23 -1.26 -5.00 115.64 105.33 3lq8 s THR 1261Ca 0.06 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 3lq8 s THR 1261Cb -0.08 -2.46 0.24 0.00 1.34 0.00 0.00 72.50 71.53 3lq8 s THR 1261CO 0.01 0.00 1.77 0.74 -0.54 0.00 0.00 174.62 176.60 3lq8 h THR 1262N 2.32 0.75 0.00 3.99 2.02 -1.96 -1.35 112.91 118.67 3lq8 h THR 1262Ca -0.30 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 3lq8 h THR 1262Cb 1.24 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3lq8 h THR 1262CO 0.42 0.12 -0.19 0.11 0.37 0.00 0.00 175.52 176.35 3lq8 h LYS 1263N 0.64 0.00 0.00 6.66 1.79 -1.95 -1.38 116.57 122.34 3lq8 h LYS 1263Ca 0.45 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.79 3lq8 h LYS 1263Cb 0.61 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 3lq8 h LYS 1263CO -0.35 0.19 -0.64 0.66 -1.08 0.00 0.00 179.45 178.23 3lq8 h SER 1264N 0.00 0.00 -0.25 0.86 4.64 -1.65 -2.85 113.55 114.29 3lq8 h SER 1264Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3lq8 h SER 1264Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3lq8 h SER 1264CO 0.02 0.64 0.03 0.44 -0.87 0.00 0.00 176.83 177.10 3lq8 h ASP 1265N 0.00 0.50 -0.63 4.97 3.32 -0.58 -2.50 116.42 121.49 3lq8 h ASP 1265Ca -0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3lq8 h ASP 1265Cb 1.21 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3lq8 h ASP 1265CO 0.08 0.55 0.31 0.58 -1.72 0.00 0.00 179.24 179.04 3lq8 h VAL 1266N 0.52 1.21 0.04 -1.35 2.07 -1.20 0.12 116.25 117.66 3lq8 h VAL 1266Ca 0.12 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3lq8 h VAL 1266Cb 0.29 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3lq8 h VAL 1266CO 0.01 0.24 -0.07 -0.25 0.02 0.00 0.00 177.57 177.52 3lq8 h TRP 1267N 0.86 -0.18 -0.56 1.57 2.91 -1.26 -1.83 115.95 117.45 3lq8 h TRP 1267Ca 0.22 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.35 3lq8 h TRP 1267Cb 0.10 0.08 -0.09 0.00 -0.51 0.00 0.00 29.16 28.73 3lq8 h TRP 1267CO -0.00 -0.11 0.03 0.77 -1.03 0.00 0.00 178.44 178.10 3lq8 h SER 1268N -0.14 -0.18 -0.61 2.65 0.02 -1.24 -1.78 113.55 112.26 3lq8 h SER 1268Ca 0.02 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.21 3lq8 h SER 1268Cb 0.16 0.22 -0.09 0.00 0.14 0.00 0.00 62.40 62.83 3lq8 h SER 1268CO -0.05 -0.07 0.14 0.15 -1.14 0.00 0.00 176.83 175.86 3lq8 h PHE 1269N 0.15 0.22 -0.87 3.45 3.57 -0.50 0.16 116.94 123.12 3lq8 h PHE 1269Ca 0.29 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 3lq8 h PHE 1269Cb 0.45 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3lq8 h PHE 1269CO -0.31 -0.03 0.53 0.78 -2.23 0.00 0.00 178.31 177.05 3lq8 h GLY 1270N 0.27 1.25 1.01 2.40 0.00 -0.48 -0.47 103.07 107.05 3lq8 h GLY 1270Ca 0.32 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3lq8 h GLY 1270CO -0.41 0.49 0.21 -2.08 0.00 0.00 0.00 176.54 174.75 3lq8 h VAL 1271N 1.19 1.24 -0.58 4.60 2.07 -0.93 -2.23 116.25 121.61 3lq8 h VAL 1271Ca 0.31 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 67.10 3lq8 h VAL 1271Cb -0.07 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3lq8 h VAL 1271CO -0.06 0.31 0.27 0.25 0.02 0.00 0.00 177.57 178.35 3lq8 h LEU 1272N 0.86 0.34 -0.85 2.57 6.46 -0.34 -0.15 115.31 124.20 3lq8 h LEU 1272Ca 0.20 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 3lq8 h LEU 1272Cb 0.26 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 3lq8 h LEU 1272CO -0.01 0.22 0.53 -0.07 -0.62 0.00 0.00 178.44 178.49 3lq8 h LEU 1273N 0.49 0.83 -0.48 2.25 3.38 -0.92 0.00 115.31 120.87 3lq8 h LEU 1273Ca 0.27 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3lq8 h LEU 1273Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3lq8 h LEU 1273CO -0.22 0.54 0.24 -0.25 0.09 0.00 0.00 178.44 178.83 3lq8 h TRP 1274N 0.97 0.67 -0.59 1.13 7.01 -0.78 -1.27 115.95 123.09 3lq8 h TRP 1274Ca 0.37 -0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.46 3lq8 h TRP 1274Cb 0.15 -0.21 -0.10 0.00 -2.10 0.00 0.00 29.16 26.91 3lq8 h TRP 1274CO -0.03 0.52 0.03 0.93 -2.79 0.00 0.00 178.44 177.10 3lq8 h GLU 1275N 0.63 0.15 -0.34 2.65 5.08 -0.67 -1.81 114.58 120.26 3lq8 h GLU 1275Ca 0.17 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3lq8 h GLU 1275Cb 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3lq8 h GLU 1275CO -0.02 0.10 0.20 -0.07 -1.00 0.00 0.00 179.01 178.21 3lq8 h LEU 1276N 0.15 0.32 -1.05 1.33 3.38 -0.57 0.19 115.31 119.07 3lq8 h LEU 1276Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3lq8 h LEU 1276Cb 0.49 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3lq8 h LEU 1276CO -0.48 0.23 -0.06 0.24 0.09 0.00 0.00 178.44 178.46 3lq8 h MET 1277N 0.41 0.00 -0.41 1.13 2.86 -0.97 -2.18 114.93 115.76 3lq8 h MET 1277Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3lq8 h MET 1277Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3lq8 h MET 1277CO -0.07 0.06 0.00 0.25 1.06 0.00 0.00 176.91 178.21 3lq8 n THR 1278N -3.16 0.54 -4.05 2.22 -2.24 -0.70 -4.63 114.28 102.26 3lq8 n THR 1278Ca 0.01 -0.73 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 3lq8 n THR 1278Cb 0.39 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3lq8 n THR 1278CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3lq8 n ARG 1279N 1.39 -3.18 -0.56 -0.78 1.74 -0.82 -3.39 116.66 111.06 3lq8 n ARG 1279Ca 0.20 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 3lq8 n ARG 1279Cb 0.58 -4.65 0.00 0.00 -1.02 0.00 0.00 32.46 27.37 3lq8 n ARG 1279CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lq8 n GLY 1280N -1.86 1.05 3.76 -0.13 0.00 0.63 -4.00 105.19 104.63 3lq8 n GLY 1280Ca -0.20 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 3lq8 n GLY 1280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lq8 s ALA 1281N -2.00 2.76 0.13 4.61 0.00 -1.22 -4.99 121.76 121.05 3lq8 s ALA 1281Ca 0.00 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 3lq8 s ALA 1281Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3lq8 s ALA 1281CO 0.00 -1.14 1.08 -1.25 0.00 0.00 0.00 175.76 174.45 3lq8 s PRO 1282N -3.00 4.58 0.32 0.00 0.04 -1.26 -4.75 135.00 130.93 3lq8 s PRO 1282Ca 0.72 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 63.12 3lq8 s PRO 1282Cb -0.34 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.78 3lq8 s PRO 1282CO 0.40 0.03 1.09 -1.25 0.04 0.00 0.00 177.00 177.31 3lq8 s PRO 1283N 0.10 4.48 -1.23 0.56 0.04 -1.26 -4.02 135.00 133.68 3lq8 s PRO 1283Ca 0.51 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 3lq8 s PRO 1283Cb -0.27 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 3lq8 s PRO 1283CO 0.32 0.09 0.70 0.66 0.04 0.00 0.00 177.00 178.81 3lq8 n TYR 1284N 0.81 -1.90 0.25 0.56 4.01 -1.26 -4.86 117.16 114.77 3lq8 n TYR 1284Ca 0.01 0.65 0.12 0.00 -0.16 0.00 0.00 57.90 58.52 3lq8 n TYR 1284Cb 0.46 -3.81 0.61 0.00 -0.31 0.00 0.00 39.34 36.29 3lq8 n TYR 1284CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3lq8 h PRO 1285N -1.81 0.00 -0.65 -0.72 0.13 -2.01 -1.73 132.00 125.21 3lq8 h PRO 1285Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3lq8 h PRO 1285Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3lq8 h PRO 1285CO 0.53 0.16 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 3lq8 n ASP 1286N -3.47 4.15 -4.34 1.44 8.00 -1.26 -4.87 116.55 116.20 3lq8 n ASP 1286Ca -0.01 -2.52 -0.33 0.00 0.71 0.00 0.00 54.79 52.65 3lq8 n ASP 1286Cb 0.33 -0.57 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 3lq8 n ASP 1286CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lq8 s VAL 1287N -2.05 2.73 0.10 2.53 1.01 -0.65 -5.11 120.40 118.96 3lq8 s VAL 1287Ca 0.40 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 3lq8 s VAL 1287Cb 0.28 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3lq8 s VAL 1287CO 0.15 0.55 0.84 0.20 0.00 0.00 0.00 175.10 176.84 3lq8 s ASN 1288N 0.15 7.36 0.00 3.32 0.01 -1.26 -4.96 114.94 119.56 3lq8 s ASN 1288Ca -0.09 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.68 3lq8 s ASN 1288Cb -0.15 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.98 3lq8 s ASN 1288CO 0.06 0.03 0.00 0.41 -1.51 0.00 0.00 177.10 176.08 3lq8 n THR 1289N 2.53 0.00 0.31 1.60 -1.04 -1.26 0.61 114.28 117.04 3lq8 n THR 1289Ca -0.01 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.11 3lq8 n THR 1289Cb 0.49 0.00 0.50 0.00 -1.82 0.00 0.00 70.33 69.51 3lq8 n THR 1289CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3lq8 n PHE 1290N -0.62 0.73 1.10 -1.42 3.72 -1.26 -3.33 117.46 116.38 3lq8 n PHE 1290Ca 0.00 0.32 0.12 0.00 -0.05 0.00 0.00 57.45 57.84 3lq8 n PHE 1290Cb 0.00 -1.01 0.25 0.00 -0.94 0.00 0.00 39.48 37.77 3lq8 n PHE 1290CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3lq8 n ASP 1291N -2.20 0.90 -0.03 4.37 8.00 0.20 -4.36 116.55 123.44 3lq8 n ASP 1291Ca 0.01 -0.70 0.02 0.00 0.71 0.00 0.00 54.79 54.83 3lq8 n ASP 1291Cb 0.16 0.29 0.37 0.00 -0.02 0.00 0.00 41.12 41.91 3lq8 n ASP 1291CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3lq8 h ILE 1292N 0.73 1.14 0.04 0.53 6.09 -1.65 -2.89 117.51 121.51 3lq8 h ILE 1292Ca 0.00 -0.38 0.03 0.00 -1.37 0.00 0.00 64.86 63.14 3lq8 h ILE 1292Cb 0.52 0.57 -0.05 0.00 0.47 0.00 0.00 36.82 38.34 3lq8 h ILE 1292CO 0.00 0.16 -0.35 0.74 -3.07 0.00 0.00 178.15 175.63 3lq8 h THR 1293N 0.60 0.26 -0.17 2.19 2.02 -1.87 -1.30 112.91 114.64 3lq8 h THR 1293Ca 0.15 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.17 3lq8 h THR 1293Cb 0.04 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3lq8 h THR 1293CO -0.02 0.00 -0.56 0.58 0.37 0.00 0.00 175.52 175.89 3lq8 h VAL 1294N -0.53 1.33 -0.45 3.16 2.07 -1.85 -1.57 116.25 118.40 3lq8 h VAL 1294Ca 0.05 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.84 3lq8 h VAL 1294Cb 0.60 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.07 3lq8 h VAL 1294CO -0.26 0.56 -0.28 0.22 0.02 0.00 0.00 177.57 177.84 3lq8 h TYR 1295N 0.40 -0.74 -0.67 1.57 3.20 -1.46 -0.95 116.97 118.32 3lq8 h TYR 1295Ca 0.01 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3lq8 h TYR 1295Cb 1.10 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.73 3lq8 h TYR 1295CO 0.04 -0.35 0.18 -0.07 -1.64 0.00 0.00 178.16 176.32 3lq8 h LEU 1296N -0.18 1.01 -1.67 2.82 3.38 -0.97 -3.07 115.31 116.64 3lq8 h LEU 1296Ca 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3lq8 h LEU 1296Cb 0.51 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3lq8 h LEU 1296CO -0.56 0.97 -0.19 -0.07 0.09 0.00 0.00 178.44 178.69 3lq8 h LEU 1297N 1.00 0.00 -0.42 1.67 3.38 -0.99 -1.94 115.31 118.01 3lq8 h LEU 1297Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3lq8 h LEU 1297Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3lq8 h LEU 1297CO -0.00 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3lq8 n GLN 1298N -3.82 0.10 -0.20 1.13 6.02 -0.39 -4.86 117.38 115.38 3lq8 n GLN 1298Ca -0.02 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 3lq8 n GLN 1298Cb 0.29 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3lq8 n GLN 1298CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lq8 n GLY 1299N -0.14 1.70 3.67 1.08 0.00 -0.73 -5.09 105.19 105.68 3lq8 n GLY 1299Ca 0.02 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3lq8 n GLY 1299CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lq8 s ARG 1300N -1.15 2.68 0.12 1.61 0.52 -1.19 -5.07 118.95 116.46 3lq8 s ARG 1300Ca 0.00 -0.69 -0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3lq8 s ARG 1300Cb 0.00 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3lq8 s ARG 1300CO 0.00 0.60 0.02 1.03 0.02 0.00 0.00 175.30 176.97 3lq8 s ARG 1301N -1.76 0.87 0.14 3.54 1.81 -1.26 -4.41 118.95 117.88 3lq8 s ARG 1301Ca 0.21 -1.40 -0.34 0.00 -1.72 0.00 0.00 55.73 52.49 3lq8 s ARG 1301Cb -0.12 0.14 -0.16 0.00 -0.45 0.00 0.00 34.95 34.37 3lq8 s ARG 1301CO 0.12 -0.19 1.18 1.28 -0.68 0.00 0.00 175.30 177.01 3lq8 n LEU 1302N -0.06 1.41 -4.78 2.53 4.77 -1.26 -4.97 117.00 114.64 3lq8 n LEU 1302Ca -0.08 1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 56.71 3lq8 n LEU 1302Cb 0.63 -1.19 0.05 0.00 -2.33 0.00 0.00 43.42 40.58 3lq8 n LEU 1302CO 0.30 -1.32 0.73 -0.76 -1.33 0.00 0.00 177.39 175.01 3lq8 s LEU 1303N 0.65 3.31 -0.12 2.23 1.43 -1.26 -4.98 118.68 119.94 3lq8 s LEU 1303Ca 0.76 1.91 -0.29 0.00 -1.03 0.00 0.00 54.13 55.48 3lq8 s LEU 1303Cb -0.90 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 40.76 3lq8 s LEU 1303CO 0.51 -1.63 1.37 -1.58 0.23 0.00 0.00 176.35 175.25 3lq8 s GLN 1304N -4.32 4.23 0.64 1.70 0.74 -1.26 -4.98 119.66 116.41 3lq8 s GLN 1304Ca 0.65 1.82 -0.18 0.00 0.05 0.00 0.00 55.36 57.69 3lq8 s GLN 1304Cb -0.19 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.11 3lq8 s GLN 1304CO 0.45 -0.73 1.26 -2.14 -0.55 0.00 0.00 175.29 173.58 3lq8 s PRO 1305N 3.53 2.61 0.24 1.67 0.02 -1.26 -4.92 135.00 136.89 3lq8 s PRO 1305Ca 0.60 1.95 -0.05 0.00 0.02 0.00 0.00 61.00 63.52 3lq8 s PRO 1305Cb -0.25 -1.87 0.44 0.00 0.02 0.00 0.00 34.50 32.84 3lq8 s PRO 1305CO 0.19 -1.52 1.71 1.49 -0.33 0.00 0.00 177.00 178.54 3lq8 h GLU 1306N 0.52 0.36 -0.69 5.54 4.81 -1.94 -1.73 114.58 121.45 3lq8 h GLU 1306Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3lq8 h GLU 1306Cb 1.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3lq8 h GLU 1306CO 0.53 0.24 0.00 0.66 -0.73 0.00 0.00 179.01 179.71 3lq8 n TYR 1307N -5.06 0.99 -2.60 0.92 4.02 -1.26 -4.91 117.16 109.25 3lq8 n TYR 1307Ca 0.14 -0.48 -0.43 0.00 -0.01 0.00 0.00 57.90 57.12 3lq8 n TYR 1307Cb 0.42 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.69 3lq8 n TYR 1307CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3lq8 s PRO 1309N 3.24 3.22 0.19 0.00 0.02 -1.26 -4.76 135.00 135.64 3lq8 s PRO 1309Ca 0.47 2.25 -0.17 0.00 0.02 0.00 0.00 61.00 63.56 3lq8 s PRO 1309Cb -0.17 -2.31 0.17 0.00 0.02 0.00 0.00 34.50 32.22 3lq8 s PRO 1309CO 0.08 -1.13 1.62 -0.44 -0.33 0.00 0.00 177.00 176.80 3lq8 h ASP 1310N 1.57 -0.77 -0.18 2.53 3.32 -1.98 -1.12 116.42 119.79 3lq8 h ASP 1310Ca -0.51 0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.75 3lq8 h ASP 1310Cb 1.29 0.43 -0.01 0.00 0.22 0.00 0.00 39.33 41.27 3lq8 h ASP 1310CO 0.58 -0.24 0.12 1.55 -1.72 0.00 0.00 179.24 179.53 3lq8 h PRO 1311N -0.08 0.17 -0.37 3.56 0.13 -1.99 0.54 132.00 133.96 3lq8 h PRO 1311Ca 0.26 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.23 3lq8 h PRO 1311Cb 0.48 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 3lq8 h PRO 1311CO -0.61 0.11 -0.35 1.25 -0.23 0.00 0.00 178.00 178.18 3lq8 h LEU 1312N 0.18 0.90 -0.64 1.56 5.85 -1.61 -1.22 115.31 120.32 3lq8 h LEU 1312Ca 0.07 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 3lq8 h LEU 1312Cb 0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3lq8 h LEU 1312CO -0.01 1.15 0.13 0.22 -0.34 0.00 0.00 178.44 179.58 3lq8 h TYR 1313N 0.71 1.11 -0.93 1.25 3.20 -0.54 -1.03 116.97 120.73 3lq8 h TYR 1313Ca 0.07 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 61.83 3lq8 h TYR 1313Cb 0.91 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 3lq8 h TYR 1313CO 0.05 0.93 0.61 0.93 -1.64 0.00 0.00 178.16 179.04 3lq8 h GLU 1314N 0.96 1.13 0.02 1.82 5.08 -0.81 -0.52 114.58 122.26 3lq8 h GLU 1314Ca 0.20 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3lq8 h GLU 1314Cb 0.40 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3lq8 h GLU 1314CO 0.01 0.75 -0.16 0.28 -1.00 0.00 0.00 179.01 178.88 3lq8 h VAL 1315N 1.16 0.61 -0.51 3.13 2.07 -0.89 -1.37 116.25 120.46 3lq8 h VAL 1315Ca 0.38 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.96 3lq8 h VAL 1315Cb 0.03 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 3lq8 h VAL 1315CO -0.13 0.00 0.19 0.24 0.02 0.00 0.00 177.57 177.89 3lq8 h MET 1316N -0.27 0.36 -0.96 1.57 2.86 -0.59 -1.51 114.93 116.40 3lq8 h MET 1316Ca 0.05 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3lq8 h MET 1316Cb 0.33 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3lq8 h MET 1316CO -0.14 0.24 0.63 -0.07 1.06 0.00 0.00 176.91 178.63 3lq8 h LEU 1317N 0.38 1.11 -1.03 1.22 3.38 -0.86 -1.80 115.31 117.69 3lq8 h LEU 1317Ca 0.24 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3lq8 h LEU 1317Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3lq8 h LEU 1317CO -0.24 0.81 0.01 0.11 0.09 0.00 0.00 178.44 179.22 3lq8 h LYS 1318N 1.30 0.70 0.00 1.13 1.57 -0.66 -2.05 116.57 118.56 3lq8 h LYS 1318Ca 0.35 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3lq8 h LYS 1318Cb -0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3lq8 h LYS 1318CO -0.07 0.71 -0.20 0.00 -0.57 0.00 0.00 179.45 179.32 3lq8 n TRP 1320N -4.29 2.02 -1.75 0.00 8.01 -0.79 -3.65 117.44 116.99 3lq8 n TRP 1320Ca -0.02 -0.70 -0.42 0.00 -1.31 0.00 0.00 57.50 55.05 3lq8 n TRP 1320Cb 0.26 -0.50 -0.01 0.00 -2.01 0.00 0.00 31.31 29.05 3lq8 n TRP 1320CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3lq8 n HIS 1321N 0.59 2.82 0.29 -5.99 -0.00 -1.05 -4.88 115.22 107.00 3lq8 n HIS 1321Ca 0.27 0.42 0.15 0.00 0.46 0.00 0.00 57.72 59.02 3lq8 n HIS 1321Cb 1.17 -2.53 0.87 0.00 -0.12 0.00 0.00 29.99 29.38 3lq8 n HIS 1321CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3lq8 h PRO 1322N 3.36 0.00 -4.82 1.57 0.13 -1.93 -3.40 132.00 126.91 3lq8 h PRO 1322Ca -0.49 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.96 3lq8 h PRO 1322Cb 1.25 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 3lq8 h PRO 1322CO 0.68 0.06 -0.33 0.15 -0.23 0.00 0.00 178.00 178.32 3lq8 s LYS 1323N -4.29 3.36 0.27 0.86 -0.14 -1.26 -4.85 119.74 113.69 3lq8 s LYS 1323Ca -0.04 -0.62 0.01 0.00 -1.36 0.00 0.00 55.97 53.96 3lq8 s LYS 1323Cb 0.13 -3.87 0.62 0.00 -1.68 0.00 0.00 37.83 33.04 3lq8 s LYS 1323CO 0.54 -0.61 1.73 0.00 -0.76 0.00 0.00 175.35 176.25 3lq8 h ALA 1324N 8.55 1.34 0.00 5.17 0.00 -1.95 -0.36 119.26 132.01 3lq8 h ALA 1324Ca -0.29 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3lq8 h ALA 1324Cb 1.14 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3lq8 h ALA 1324CO 0.71 -0.21 -0.10 1.05 0.00 0.00 0.00 179.25 180.69 3lq8 h GLU 1325N 0.51 0.00 0.00 0.00 9.09 -1.94 -2.35 114.58 119.89 3lq8 h GLU 1325Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3lq8 h GLU 1325Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3lq8 h GLU 1325CO -0.44 0.10 -0.19 -1.33 0.05 0.00 0.00 179.01 177.20 3lq8 n MET 1326N -3.27 0.00 -2.21 1.06 2.81 -0.15 -4.89 117.12 110.48 3lq8 n MET 1326Ca 0.00 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.52 3lq8 n MET 1326Cb 0.35 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.35 3lq8 n MET 1326CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3lq8 s ARG 1327N -3.00 3.64 0.81 0.03 0.52 -0.89 -4.96 118.95 115.10 3lq8 s ARG 1327Ca 0.13 1.80 -0.11 0.00 -0.52 0.00 0.00 55.73 57.03 3lq8 s ARG 1327Cb 0.18 -2.34 0.08 0.00 0.52 0.00 0.00 34.95 33.40 3lq8 s ARG 1327CO 0.60 -0.66 1.12 -1.25 0.02 0.00 0.00 175.30 175.13 3lq8 s PRO 1328N -2.79 1.83 0.67 3.54 0.04 -1.26 -5.03 135.00 132.00 3lq8 s PRO 1328Ca 0.66 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 3lq8 s PRO 1328Cb -0.29 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3lq8 s PRO 1328CO 0.35 -1.99 1.06 -1.54 0.04 0.00 0.00 177.00 174.92 3lq8 s SER 1329N -2.99 5.78 0.43 6.66 1.04 -1.26 -4.92 113.70 118.45 3lq8 s SER 1329Ca 0.64 1.30 0.09 0.00 0.48 0.00 0.00 55.95 58.47 3lq8 s SER 1329Cb -0.20 -2.22 0.94 0.00 0.10 0.00 0.00 66.02 64.63 3lq8 s SER 1329CO 0.55 -1.15 2.07 -0.26 0.98 0.00 0.00 173.24 175.44 3lq8 h PHE 1330N -0.51 0.41 -0.20 5.02 0.04 -1.93 -0.90 116.94 118.87 3lq8 h PHE 1330Ca -0.44 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.37 3lq8 h PHE 1330Cb 1.22 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.20 3lq8 h PHE 1330CO 0.58 0.26 -0.01 1.03 -0.60 0.00 0.00 178.31 179.58 3lq8 h SER 1331N 0.44 -0.09 -0.34 2.17 0.87 -1.92 -0.97 113.55 113.71 3lq8 h SER 1331Ca 0.12 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3lq8 h SER 1331Cb -0.04 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3lq8 h SER 1331CO -0.02 -0.02 0.14 -0.08 -0.53 0.00 0.00 176.83 176.31 3lq8 h GLU 1332N 0.05 0.50 -0.60 2.24 4.81 -1.75 -2.57 114.58 117.26 3lq8 h GLU 1332Ca 0.09 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3lq8 h GLU 1332Cb 0.12 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.33 3lq8 h GLU 1332CO -0.17 0.50 0.14 -0.07 -0.73 0.00 0.00 179.01 178.68 3lq8 h LEU 1333N 0.40 0.02 -0.50 1.64 3.38 -1.10 0.35 115.31 119.50 3lq8 h LEU 1333Ca 0.11 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3lq8 h LEU 1333Cb 0.18 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3lq8 h LEU 1333CO -0.01 0.02 0.33 0.58 0.09 0.00 0.00 178.44 179.44 3lq8 h VAL 1334N 0.27 1.14 -0.17 1.22 2.07 -0.99 -0.24 116.25 119.54 3lq8 h VAL 1334Ca 0.32 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3lq8 h VAL 1334Cb 0.47 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3lq8 h VAL 1334CO -0.40 0.13 -0.26 -1.28 0.02 0.00 0.00 177.57 175.78 3lq8 h SER 1335N 0.68 0.53 -0.33 0.57 0.87 -0.99 -0.65 113.55 114.23 3lq8 h SER 1335Ca 0.18 -0.52 -0.14 0.00 -1.23 0.00 0.00 61.79 60.08 3lq8 h SER 1335Cb -0.06 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3lq8 h SER 1335CO -0.04 0.95 -0.34 0.03 -0.53 0.00 0.00 176.83 176.90 3lq8 h ARG 1336N 0.13 0.81 -0.06 2.24 3.08 -0.87 -1.86 114.38 117.85 3lq8 h ARG 1336Ca 0.02 -0.43 -0.13 0.00 0.07 0.00 0.00 59.98 59.50 3lq8 h ARG 1336Cb 0.83 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3lq8 h ARG 1336CO 0.06 1.06 -0.57 0.82 -1.07 0.00 0.00 179.97 180.27 3lq8 h ILE 1337N 0.58 1.38 -0.18 2.04 2.04 -1.06 -1.76 117.51 120.56 3lq8 h ILE 1337Ca 0.05 -1.92 0.02 0.00 1.00 0.00 0.00 64.86 64.01 3lq8 h ILE 1337Cb 0.92 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 3lq8 h ILE 1337CO 0.08 0.56 0.04 0.28 0.00 0.00 0.00 178.15 179.12 3lq8 h SER 1338N 0.13 0.03 -0.11 1.72 0.02 -0.95 -0.49 113.55 113.89 3lq8 h SER 1338Ca -0.00 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3lq8 h SER 1338Cb 1.05 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 3lq8 h SER 1338CO 0.08 0.04 -0.14 0.00 -1.14 0.00 0.00 176.83 175.68 3lq8 h ALA 1339N 1.12 -0.07 -0.28 3.77 0.00 -1.07 -1.95 119.26 120.78 3lq8 h ALA 1339Ca 0.08 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3lq8 h ALA 1339Cb 0.07 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3lq8 h ALA 1339CO -0.10 -0.59 0.01 0.82 0.00 0.00 0.00 179.25 179.38 3lq8 h ILE 1340N -0.18 0.80 -0.56 0.00 2.04 -1.10 -3.00 117.51 115.51 3lq8 h ILE 1340Ca 0.09 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3lq8 h ILE 1340Cb 0.30 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3lq8 h ILE 1340CO -0.22 0.02 0.32 0.15 0.00 0.00 0.00 178.15 178.42 3lq8 h PHE 1341N 0.09 0.60 0.00 1.37 3.57 -1.02 -2.12 116.94 119.44 3lq8 h PHE 1341Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3lq8 h PHE 1341Cb 0.17 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3lq8 h PHE 1341CO -0.21 0.33 0.00 0.66 -2.23 0.00 0.00 178.31 176.86 3lq8 h SER 1342N 0.63 0.00 0.19 0.41 4.64 -1.21 -2.90 113.55 115.31 3lq8 h SER 1342Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3lq8 h SER 1342Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3lq8 h SER 1342CO -0.12 0.00 -0.07 0.35 -0.87 0.00 0.00 176.83 176.12 3lq8 n THR 1343N -2.42 0.00 -3.64 2.95 -2.24 -0.79 -4.87 114.28 103.27 3lq8 n THR 1343Ca -0.02 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 3lq8 n THR 1343Cb 0.04 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 3lq8 n THR 1343CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3lq8 s PHE 1344N -2.27 3.50 -2.00 4.78 0.40 -1.10 -5.15 117.98 116.14 3lq8 s PHE 1344Ca 0.34 0.56 0.15 0.00 -0.60 0.00 0.00 56.93 57.38 3lq8 s PHE 1344Cb 0.21 -2.22 0.88 0.00 0.51 0.00 0.00 43.02 42.40 3lq8 s PHE 1344CO 0.42 0.38 1.30 -0.89 0.70 0.00 0.00 175.22 177.13