#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkg s VAL 1051N 0.00 3.22 0.15 2.28 -7.23 -1.26 -5.00 120.40 112.56 3dkg s VAL 1051Ca 0.00 0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 60.84 3dkg s VAL 1051Cb 0.00 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.25 3dkg s VAL 1051CO 0.00 0.13 0.97 -2.28 -0.31 0.00 0.00 175.10 173.61 3dkg s HIS 1052N 0.38 3.83 -0.08 2.82 5.04 -1.26 -4.95 115.29 121.08 3dkg s HIS 1052Ca 0.59 1.80 0.03 0.00 -1.54 0.00 0.00 55.06 55.94 3dkg s HIS 1052Cb -0.37 -3.07 0.01 0.00 0.04 0.00 0.00 32.58 29.20 3dkg s HIS 1052CO 0.36 0.17 -0.16 -1.50 -2.34 0.00 0.00 174.74 171.27 3dkg s ILE 1053N -0.31 1.45 -0.37 0.89 2.07 -1.26 -5.03 121.20 118.64 3dkg s ILE 1053Ca 0.46 -0.66 -0.13 0.00 -1.41 0.00 0.00 60.65 58.91 3dkg s ILE 1053Cb -0.25 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.05 3dkg s ILE 1053CO 0.31 0.42 0.25 -0.62 -1.91 0.00 0.00 174.94 173.40 3dkg s ASP 1054N 0.57 6.01 0.49 4.50 -1.08 -1.26 -4.32 116.67 121.59 3dkg s ASP 1054Ca -0.16 -0.66 0.30 0.00 -0.52 0.00 0.00 52.55 51.52 3dkg s ASP 1054Cb -0.16 -2.13 1.12 0.00 -1.46 0.00 0.00 42.92 40.29 3dkg s ASP 1054CO 0.05 -0.33 1.88 -0.07 0.52 0.00 0.00 175.17 177.23 3dkg h LEU 1055N 8.53 0.00 -1.03 -1.34 3.38 -1.99 -2.86 115.31 120.00 3dkg h LEU 1055Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3dkg h LEU 1055Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dkg h LEU 1055CO 0.67 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.66 3dkg n SER 1056N -2.98 0.51 0.00 -0.43 3.41 -1.26 -1.50 113.62 111.37 3dkg n SER 1056Ca 0.02 0.70 0.10 0.00 -0.26 0.00 0.00 58.87 59.43 3dkg n SER 1056Cb 0.34 -0.78 0.62 0.00 -0.26 0.00 0.00 64.21 64.13 3dkg n SER 1056CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dkg n ALA 1057N -1.74 2.32 -1.79 7.33 0.00 -1.08 -4.85 120.51 120.70 3dkg n ALA 1057Ca -0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 3dkg n ALA 1057Cb 0.09 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 3dkg n ALA 1057CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dkg s LEU 1058N -1.93 3.98 0.00 0.00 1.43 -0.56 -4.99 118.68 116.62 3dkg s LEU 1058Ca 0.31 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 3dkg s LEU 1058Cb 0.14 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.89 3dkg s LEU 1058CO 0.24 -0.60 1.80 0.54 0.23 0.00 0.00 176.35 178.56 3dkg s ASN 1059N -1.83 6.56 0.55 2.29 4.22 -1.26 -4.90 114.94 120.56 3dkg s ASN 1059Ca 0.62 2.47 0.25 0.00 -2.14 0.00 0.00 52.86 54.06 3dkg s ASN 1059Cb -0.18 -2.54 1.45 0.00 1.28 0.00 0.00 41.25 41.26 3dkg s ASN 1059CO 0.22 -0.98 2.05 -0.65 -2.04 0.00 0.00 177.10 175.70 3dkg h PRO 1060N 9.86 0.00 -0.33 3.55 0.11 -1.94 -1.74 132.00 141.52 3dkg h PRO 1060Ca -0.44 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 3dkg h PRO 1060Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dkg h PRO 1060CO 0.95 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.51 3dkg h GLU 1061N 0.00 0.68 -0.33 1.05 3.07 -1.99 -1.83 114.58 115.23 3dkg h GLU 1061Ca 0.16 -0.30 -0.17 0.00 -0.50 0.00 0.00 59.36 58.55 3dkg h GLU 1061Cb 0.68 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3dkg h GLU 1061CO -0.00 0.89 -0.46 1.25 -1.40 0.00 0.00 179.01 179.29 3dkg h LEU 1062N 0.45 0.97 -0.92 1.33 5.85 -1.75 -1.10 115.31 120.15 3dkg h LEU 1062Ca 0.07 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3dkg h LEU 1062Cb 0.69 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3dkg h LEU 1062CO 0.05 1.29 0.61 -0.37 -0.34 0.00 0.00 178.44 179.67 3dkg h VAL 1063N 0.69 1.23 -0.47 1.05 -1.51 -1.39 -1.06 116.25 114.80 3dkg h VAL 1063Ca 0.03 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 65.03 3dkg h VAL 1063Cb 1.07 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 30.09 3dkg h VAL 1063CO 0.11 0.23 0.09 0.06 -1.23 0.00 0.00 177.57 176.83 3dkg h GLN 1064N 1.24 0.77 0.00 5.19 -0.00 -1.24 -3.14 115.11 117.93 3dkg h GLN 1064Ca 0.34 -0.20 -0.04 0.00 -0.00 0.00 0.00 58.65 58.74 3dkg h GLN 1064Cb -0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.24 3dkg h GLN 1064CO -0.07 0.77 -0.21 0.00 -0.00 0.00 0.00 178.83 179.32 3dkg h ALA 1065N 0.97 1.33 -0.02 0.06 0.00 -0.72 -2.88 119.26 118.01 3dkg h ALA 1065Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dkg h ALA 1065Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dkg h ALA 1065CO 0.01 0.26 -0.17 1.55 0.00 0.00 0.00 179.25 180.90 3dkg n VAL 1066N -3.82 0.00 -0.15 0.00 3.14 -0.44 -4.50 118.33 112.55 3dkg n VAL 1066Ca -0.02 -0.27 0.05 0.00 -2.96 0.00 0.00 64.34 61.14 3dkg n VAL 1066Cb 0.31 0.85 0.35 0.00 -1.06 0.00 0.00 33.84 34.28 3dkg n VAL 1066CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3dkg h GLN 1067N 2.58 0.75 0.00 1.45 1.08 -1.46 -0.45 115.11 119.06 3dkg h GLN 1067Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3dkg h GLN 1067Cb 0.67 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3dkg h GLN 1067CO 0.00 0.49 0.00 -2.39 -0.95 0.00 0.00 178.83 175.98 3dkg n HIS 1068N -4.47 0.00 -0.03 2.96 1.44 -1.26 -2.29 115.22 111.58 3dkg n HIS 1068Ca 0.09 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.83 3dkg n HIS 1068Cb 0.16 -0.49 -0.14 0.00 0.12 0.00 0.00 29.99 29.63 3dkg n HIS 1068CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3dkg n VAL 1069N -1.49 0.62 -2.47 0.61 0.31 -0.24 -4.97 118.33 110.71 3dkg n VAL 1069Ca 0.05 -0.64 -0.41 0.00 -0.01 0.00 0.00 64.34 63.33 3dkg n VAL 1069Cb 0.23 -0.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.87 3dkg n VAL 1069CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dkg s VAL 1070N -3.11 3.96 -0.23 2.52 1.01 -0.83 -0.94 120.40 122.78 3dkg s VAL 1070Ca -0.07 1.54 -0.09 0.00 0.00 0.00 0.00 61.98 63.35 3dkg s VAL 1070Cb 0.11 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3dkg s VAL 1070CO 0.86 0.19 0.13 -0.63 0.00 0.00 0.00 175.10 175.65 3dkg s ILE 1071N 0.40 5.05 0.41 2.22 1.01 -0.78 -4.87 121.20 124.63 3dkg s ILE 1071Ca 0.54 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.99 3dkg s ILE 1071Cb -0.29 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 3dkg s ILE 1071CO 0.32 0.36 1.40 0.61 0.00 0.00 0.00 174.94 177.63 3dkg n GLY 1072N 4.30 0.91 0.33 6.18 0.00 -1.26 -4.77 105.19 110.89 3dkg n GLY 1072Ca -0.15 0.25 0.18 0.00 0.00 0.00 0.00 46.02 46.29 3dkg n GLY 1072CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dkg h PRO 1073N 2.49 0.00 -0.48 1.61 0.13 -1.98 0.88 132.00 134.66 3dkg h PRO 1073Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dkg h PRO 1073Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3dkg h PRO 1073CO 0.62 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.82 3dkg n SER 1074N -3.50 3.45 -0.00 1.44 7.64 -1.26 -4.19 113.62 117.20 3dkg n SER 1074Ca -0.01 -1.98 0.10 0.00 1.01 0.00 0.00 58.87 57.99 3dkg n SER 1074Cb 0.22 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 62.97 3dkg n SER 1074CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dkg n SER 1075N 1.44 0.66 -3.91 6.43 7.64 0.30 -4.92 113.62 121.26 3dkg n SER 1075Ca 0.21 -0.44 -0.27 0.00 1.01 0.00 0.00 58.87 59.38 3dkg n SER 1075Cb 0.58 1.50 -0.17 0.00 -1.01 0.00 0.00 64.21 65.11 3dkg n SER 1075CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dkg s LEU 1076N -3.71 1.23 -0.62 -3.43 1.02 -1.21 -2.14 118.68 109.82 3dkg s LEU 1076Ca -0.01 -0.33 -0.14 0.00 0.02 0.00 0.00 54.13 53.67 3dkg s LEU 1076Cb 0.14 -0.86 0.15 0.00 0.02 0.00 0.00 46.19 45.65 3dkg s LEU 1076CO 0.81 -0.12 0.56 -0.63 0.02 0.00 0.00 176.35 176.99 3dkg s ILE 1077N 1.70 5.17 -0.30 -0.59 -1.09 -0.47 -4.94 121.20 120.67 3dkg s ILE 1077Ca 0.05 -1.85 -0.29 0.00 -2.23 0.00 0.00 60.65 56.33 3dkg s ILE 1077Cb -0.13 -4.28 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 3dkg s ILE 1077CO -0.08 -0.90 1.13 -0.69 -1.23 0.00 0.00 174.94 173.16 3dkg s VAL 1078N 1.12 4.43 -1.33 2.92 1.01 -1.26 -1.97 120.40 125.31 3dkg s VAL 1078Ca 0.08 1.65 -0.15 0.00 0.00 0.00 0.00 61.98 63.56 3dkg s VAL 1078Cb -0.24 -4.33 0.09 0.00 0.00 0.00 0.00 36.38 31.90 3dkg s VAL 1078CO -0.01 -0.44 1.86 1.41 0.00 0.00 0.00 175.10 177.92 3dkg n HIS 1079N 6.97 4.14 0.32 5.22 8.25 -0.46 -4.77 115.22 134.89 3dkg n HIS 1079Ca 0.13 -2.96 0.18 0.00 -0.26 0.00 0.00 57.72 54.81 3dkg n HIS 1079Cb 0.47 -2.45 0.97 0.00 1.12 0.00 0.00 29.99 30.09 3dkg n HIS 1079CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3dkg h PHE 1080N 6.78 0.00 -0.04 4.41 -1.00 -1.93 0.87 116.94 126.02 3dkg h PHE 1080Ca 0.46 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 61.07 3dkg h PHE 1080Cb 0.77 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 3dkg h PHE 1080CO 1.36 0.00 -0.72 -0.91 -1.61 0.00 0.00 178.31 176.43 3dkg h ASN 1081N 0.00 0.28 -3.17 2.17 2.35 -1.94 -3.41 115.58 111.85 3dkg h ASN 1081Ca 0.00 -0.19 -0.76 0.00 -0.55 0.00 0.00 56.30 54.80 3dkg h ASN 1081Cb 0.31 -0.08 -0.25 0.00 0.05 0.00 0.00 38.32 38.35 3dkg h ASN 1081CO 0.00 0.91 -0.21 -1.83 -1.65 0.00 0.00 177.43 174.65 3dkg s GLU 1082N -3.52 3.00 -0.20 0.81 1.03 0.30 -5.05 118.70 115.07 3dkg s GLU 1082Ca -0.04 -1.78 -0.13 0.00 0.03 0.00 0.00 54.97 53.05 3dkg s GLU 1082Cb 0.11 -4.28 -0.05 0.00 -0.80 0.00 0.00 34.13 29.11 3dkg s GLU 1082CO 0.81 -1.32 0.27 0.08 -1.33 0.00 0.00 175.26 173.78 3dkg s VAL 1083N 1.45 5.30 -0.17 1.83 1.01 -1.26 -1.73 120.40 126.84 3dkg s VAL 1083Ca 0.05 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 3dkg s VAL 1083Cb -0.28 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 3dkg s VAL 1083CO 0.02 0.34 -0.09 -0.38 0.00 0.00 0.00 175.10 175.00 3dkg n ILE 1084N 3.96 1.46 -2.50 2.22 5.41 -1.26 -4.92 119.36 123.73 3dkg n ILE 1084Ca -0.12 0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.33 3dkg n ILE 1084Cb 0.52 -2.28 -0.02 0.00 -0.71 0.00 0.00 39.64 37.15 3dkg n ILE 1084CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dkg s VAL 1092N 3.72 1.86 0.17 0.00 1.01 -1.26 -0.82 120.40 125.09 3dkg s VAL 1092Ca 0.52 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.65 3dkg s VAL 1092Cb -0.17 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3dkg s VAL 1092CO 0.16 0.52 -0.23 -0.31 0.00 0.00 0.00 175.10 175.24 3dkg s TYR 1093N -0.04 2.15 0.48 5.22 1.51 0.11 -4.66 117.35 122.12 3dkg s TYR 1093Ca -0.05 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.38 3dkg s TYR 1093Cb -0.14 -1.08 -0.07 0.00 -0.11 0.00 0.00 41.96 40.56 3dkg s TYR 1093CO 0.04 0.42 1.33 -1.01 -1.11 0.00 0.00 175.55 175.22 3dkg s HIS 1094N -1.67 2.53 0.15 2.71 3.76 -0.70 -0.39 115.29 121.68 3dkg s HIS 1094Ca 0.18 1.38 -0.03 0.00 -0.15 0.00 0.00 55.06 56.44 3dkg s HIS 1094Cb -0.08 -3.74 -0.03 0.00 1.11 0.00 0.00 32.58 29.84 3dkg s HIS 1094CO 0.08 -2.52 0.12 0.20 -0.85 0.00 0.00 174.74 171.78 3dkg s GLY 1095N -0.86 0.97 -0.04 -2.22 0.00 0.21 -1.35 107.32 104.03 3dkg s GLY 1095Ca 0.65 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 44.02 3dkg s GLY 1095CO 0.48 -1.25 -0.16 -1.59 0.00 0.00 0.00 173.10 170.58 3dkg s THR 1096N -4.05 1.32 0.03 0.90 2.01 -0.83 -1.58 115.64 113.43 3dkg s THR 1096Ca 0.26 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.66 3dkg s THR 1096Cb 0.06 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3dkg s THR 1096CO 0.04 0.38 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.94 3dkg s LEU 1097N 0.00 2.13 -0.11 4.42 2.96 0.75 -1.36 118.68 127.47 3dkg s LEU 1097Ca -0.02 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3dkg s LEU 1097Cb -0.10 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3dkg s LEU 1097CO 0.01 0.16 0.07 -1.48 -1.32 0.00 0.00 176.35 173.80 3dkg s LEU 1098N -0.96 3.99 0.00 -0.68 2.34 -0.91 0.66 118.68 123.12 3dkg s LEU 1098Ca 0.07 0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.55 3dkg s LEU 1098Cb -0.08 -1.95 0.00 0.00 -0.56 0.00 0.00 46.19 43.60 3dkg s LEU 1098CO 0.01 0.38 0.00 0.47 -1.06 0.00 0.00 176.35 176.15 3dkg n ASP 1099N 2.16 0.00 -0.21 1.48 8.00 -1.26 -4.99 116.55 121.73 3dkg n ASP 1099Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3dkg n ASP 1099Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 3dkg n ASP 1099CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3dkg n LYS 1103N 0.00 0.00 -2.54 -1.24 0.00 -1.26 -5.19 118.16 107.93 3dkg n LYS 1103Ca 0.00 0.21 -0.43 0.00 -0.00 0.00 0.00 58.31 58.09 3dkg n LYS 1103Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.03 35.00 3dkg n LYS 1103CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3dkg s LYS 1104N -2.95 4.27 -0.15 -1.58 2.20 -1.26 -4.86 119.74 115.41 3dkg s LYS 1104Ca 0.00 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 57.15 3dkg s LYS 1104Cb 0.00 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3dkg s LYS 1104CO 0.00 -0.61 -0.21 0.42 -0.36 0.00 0.00 175.35 174.59 3dkg s ILE 1105N 3.11 2.13 0.03 5.43 1.01 0.21 -4.94 121.20 128.18 3dkg s ILE 1105Ca 0.50 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 3dkg s ILE 1105Cb -0.19 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3dkg s ILE 1105CO 0.12 0.54 1.11 -2.28 0.00 0.00 0.00 174.94 174.44 3dkg s HIS 1106N 0.97 3.51 0.08 3.97 5.65 -1.26 -0.17 115.29 128.02 3dkg s HIS 1106Ca -0.03 1.45 -0.01 0.00 0.25 0.00 0.00 55.06 56.72 3dkg s HIS 1106Cb -0.15 -3.30 -0.04 0.00 -1.18 0.00 0.00 32.58 27.91 3dkg s HIS 1106CO -0.05 -0.79 0.00 0.00 -0.65 0.00 0.00 174.74 173.25 3dkg s ALA 1108N -3.96 3.40 -0.33 0.00 0.00 0.24 -0.61 121.76 120.49 3dkg s ALA 1108Ca 0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3dkg s ALA 1108Cb 0.08 -2.12 0.05 0.00 0.00 0.00 0.00 23.12 21.13 3dkg s ALA 1108CO -0.06 -0.17 0.07 0.08 0.00 0.00 0.00 175.76 175.68 3dkg s VAL 1109N 1.02 3.44 -0.34 0.00 1.01 0.47 -0.43 120.40 125.58 3dkg s VAL 1109Ca 0.05 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 3dkg s VAL 1109Cb -0.14 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3dkg s VAL 1109CO 0.03 -0.17 0.62 -1.59 0.00 0.00 0.00 175.10 173.99 3dkg s LYS 1110N 1.33 3.76 -0.53 2.72 -2.85 0.48 -0.71 119.74 123.94 3dkg s LYS 1110Ca -0.03 0.13 -0.20 0.00 -1.00 0.00 0.00 55.97 54.87 3dkg s LYS 1110Cb -0.20 -3.78 0.06 0.00 -2.06 0.00 0.00 37.83 31.86 3dkg s LYS 1110CO 0.01 -0.67 0.69 0.45 0.10 0.00 0.00 175.35 175.93 3dkg s SER 1111N 1.73 6.23 0.81 0.03 0.15 0.00 -0.53 113.70 122.14 3dkg s SER 1111Ca 0.24 -0.90 -0.12 0.00 0.70 0.00 0.00 55.95 55.87 3dkg s SER 1111Cb -0.15 -2.32 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 3dkg s SER 1111CO 0.14 -0.98 1.13 -0.76 1.20 0.00 0.00 173.24 173.96 3dkg s LEU 1112N 2.87 2.47 0.61 3.45 1.02 -0.97 -4.23 118.68 123.91 3dkg s LEU 1112Ca 0.17 1.05 -0.18 0.00 0.02 0.00 0.00 54.13 55.19 3dkg s LEU 1112Cb -0.19 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.40 3dkg s LEU 1112CO 0.12 -1.99 1.18 0.20 0.02 0.00 0.00 176.35 175.89 3dkg s ASN 1113N -4.19 5.12 0.25 2.29 0.01 -1.26 -4.51 114.94 112.65 3dkg s ASN 1113Ca 0.61 2.30 -0.31 0.00 -0.71 0.00 0.00 52.86 54.76 3dkg s ASN 1113Cb -0.13 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.83 3dkg s ASN 1113CO 0.52 -1.63 1.65 -0.60 -1.51 0.00 0.00 177.10 175.53 3dkg s ARG 1114N -3.50 4.13 -0.26 -0.60 3.52 -1.26 -4.52 118.95 116.45 3dkg s ARG 1114Ca 0.75 2.58 -0.08 0.00 -0.13 0.00 0.00 55.73 58.85 3dkg s ARG 1114Cb -0.28 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3dkg s ARG 1114CO 0.35 -0.68 0.09 0.42 -0.81 0.00 0.00 175.30 174.67 3dkg s ILE 1115N 0.55 4.40 -0.59 4.11 1.01 0.94 -4.98 121.20 126.64 3dkg s ILE 1115Ca 0.68 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 61.17 3dkg s ILE 1115Cb -0.48 -3.11 0.15 0.00 0.01 0.00 0.00 42.46 39.03 3dkg s ILE 1115CO 0.40 0.27 1.05 0.35 0.00 0.00 0.00 174.94 177.02 3dkg n THR 1116N 4.94 0.79 -4.51 2.92 -2.24 -1.26 -4.32 114.28 110.59 3dkg n THR 1116Ca -0.16 -0.89 -0.33 0.00 -2.27 0.00 0.00 64.05 60.40 3dkg n THR 1116Cb 0.51 0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 3dkg n THR 1116CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dkg s ASP 1117N -0.90 4.36 0.41 3.42 -1.08 -1.26 -4.77 116.67 116.84 3dkg s ASP 1117Ca 0.12 -0.26 0.11 0.00 -0.52 0.00 0.00 52.55 52.00 3dkg s ASP 1117Cb 0.07 -1.70 0.88 0.00 -1.46 0.00 0.00 42.92 40.71 3dkg s ASP 1117CO 0.09 0.14 1.96 0.40 0.52 0.00 0.00 175.17 178.28 3dkg h ILE 1118N 5.35 1.15 -0.29 4.11 1.08 -1.96 -0.09 117.51 126.85 3dkg h ILE 1118Ca -0.30 -0.67 -0.15 0.00 -0.39 0.00 0.00 64.86 63.35 3dkg h ILE 1118Cb 1.20 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 3dkg h ILE 1118CO 0.59 0.21 -0.41 1.23 -0.69 0.00 0.00 178.15 179.07 3dkg h GLY 1119N 0.64 0.78 1.07 5.37 0.00 -1.98 -0.54 103.07 108.41 3dkg h GLY 1119Ca 0.03 -0.80 -0.15 0.00 0.00 0.00 0.00 47.33 46.42 3dkg h GLY 1119CO 0.02 0.72 -0.35 0.83 0.00 0.00 0.00 176.54 177.76 3dkg h GLU 1120N 0.58 0.85 -0.98 4.80 5.08 -1.85 -1.60 114.58 121.47 3dkg h GLU 1120Ca 0.04 -0.45 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3dkg h GLU 1120Cb 0.96 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 3dkg h GLU 1120CO 0.09 1.09 0.64 0.28 -1.00 0.00 0.00 179.01 180.12 3dkg h VAL 1121N 0.64 1.17 -0.63 3.13 2.07 -0.97 -0.86 116.25 120.81 3dkg h VAL 1121Ca 0.05 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3dkg h VAL 1121Cb 0.94 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3dkg h VAL 1121CO 0.09 0.23 0.17 0.28 0.02 0.00 0.00 177.57 178.36 3dkg h SER 1122N 1.24 0.93 0.23 0.57 0.02 -0.85 -1.61 113.55 114.09 3dkg h SER 1122Ca 0.39 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3dkg h SER 1122Cb 0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3dkg h SER 1122CO -0.12 0.91 -0.43 1.56 -1.14 0.00 0.00 176.83 177.60 3dkg h GLN 1123N 0.91 0.26 -0.32 3.45 1.08 -0.92 -1.68 115.11 117.90 3dkg h GLN 1123Ca 0.20 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3dkg h GLN 1123Cb 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3dkg h GLN 1123CO -0.00 0.65 0.09 0.35 -0.95 0.00 0.00 178.83 178.97 3dkg h PHE 1124N 0.21 0.52 -0.35 2.96 3.57 -0.90 -1.18 116.94 121.78 3dkg h PHE 1124Ca 0.02 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 3dkg h PHE 1124Cb 0.86 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3dkg h PHE 1124CO 0.02 0.54 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.37 3dkg h LEU 1125N 0.36 0.67 -0.33 0.59 3.38 -1.22 -2.06 115.31 116.70 3dkg h LEU 1125Ca 0.10 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3dkg h LEU 1125Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dkg h LEU 1125CO -0.00 0.86 -0.34 0.74 0.09 0.00 0.00 178.44 179.80 3dkg h THR 1126N 0.59 1.29 -0.59 0.22 2.02 -1.24 -2.26 112.91 112.93 3dkg h THR 1126Ca 0.09 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 3dkg h THR 1126Cb 0.66 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3dkg h THR 1126CO 0.05 0.49 0.34 -0.33 0.37 0.00 0.00 175.52 176.44 3dkg h GLU 1127N 0.60 0.82 -0.97 6.66 3.07 -1.20 -2.45 114.58 121.11 3dkg h GLU 1127Ca 0.05 -0.09 0.09 0.00 -0.50 0.00 0.00 59.36 58.92 3dkg h GLU 1127Cb 0.92 -0.16 -0.08 0.00 -0.84 0.00 0.00 28.75 28.59 3dkg h GLU 1127CO 0.08 0.61 0.61 0.78 -1.40 0.00 0.00 179.01 179.69 3dkg h GLY 1128N 0.80 1.53 0.82 -3.84 0.00 -1.28 0.34 103.07 101.44 3dkg h GLY 1128Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3dkg h GLY 1128CO -0.04 0.22 -0.04 -2.22 0.00 0.00 0.00 176.54 174.46 3dkg h ILE 1129N 1.02 1.28 -0.19 2.60 2.04 -1.15 -1.61 117.51 121.51 3dkg h ILE 1129Ca 0.45 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3dkg h ILE 1129Cb 0.34 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3dkg h ILE 1129CO -0.23 0.31 0.00 0.40 0.00 0.00 0.00 178.15 178.64 3dkg h ILE 1130N 0.16 1.25 -0.21 -0.67 2.04 -1.16 -3.08 117.51 115.85 3dkg h ILE 1130Ca 0.06 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 3dkg h ILE 1130Cb 0.49 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3dkg h ILE 1130CO 0.02 0.26 -0.08 -0.03 0.00 0.00 0.00 178.15 178.32 3dkg h MET 1131N 0.10 0.32 -0.38 2.37 4.05 -0.98 -2.55 114.93 117.86 3dkg h MET 1131Ca 0.05 -0.07 0.08 0.00 -0.28 0.00 0.00 59.70 59.49 3dkg h MET 1131Cb 0.39 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3dkg h MET 1131CO 0.01 0.41 0.27 -0.22 0.23 0.00 0.00 176.91 177.61 3dkg h LYS 1132N 0.30 0.16 -0.20 0.39 1.63 -1.19 -1.63 116.57 116.03 3dkg h LYS 1132Ca 0.06 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3dkg h LYS 1132Cb 0.33 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3dkg h LYS 1132CO 0.02 0.10 0.00 -0.25 -3.45 0.00 0.00 179.45 175.87 3dkg n ASP 1133N -4.46 1.92 -3.72 4.20 10.43 -0.96 -4.54 116.55 119.42 3dkg n ASP 1133Ca 0.05 -1.76 -0.42 0.00 2.57 0.00 0.00 54.79 55.24 3dkg n ASP 1133Cb 0.34 -0.13 0.00 0.00 1.84 0.00 0.00 41.12 43.17 3dkg n ASP 1133CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3dkg n PHE 1134N 0.49 2.85 -3.56 1.24 0.99 -0.61 -4.96 117.46 113.90 3dkg n PHE 1134Ca 0.16 -2.82 -0.41 0.00 -0.00 0.00 0.00 57.45 54.38 3dkg n PHE 1134Cb 0.37 -1.99 -0.11 0.00 -1.00 0.00 0.00 39.48 36.75 3dkg n PHE 1134CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3dkg s SER 1135N 0.95 5.88 -0.21 4.37 0.15 -1.26 -4.74 113.70 118.84 3dkg s SER 1135Ca 0.45 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 56.17 3dkg s SER 1135Cb 0.13 -2.09 0.08 0.00 -1.71 0.00 0.00 66.02 62.43 3dkg s SER 1135CO -0.03 -0.30 0.79 -2.28 1.20 0.00 0.00 173.24 172.62 3dkg s HIS 1136N 1.65 -0.66 0.67 3.44 5.04 -1.26 -5.06 115.29 119.11 3dkg s HIS 1136Ca 0.05 1.47 0.43 0.00 -1.54 0.00 0.00 55.06 55.46 3dkg s HIS 1136Cb -0.18 0.34 2.32 0.00 0.04 0.00 0.00 32.58 35.10 3dkg s HIS 1136CO 0.09 -0.41 2.31 -1.35 -2.34 0.00 0.00 174.74 173.04 3dkg h PRO 1137N 4.12 0.00 -0.28 2.88 0.11 -1.96 -2.41 132.00 134.46 3dkg h PRO 1137Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3dkg h PRO 1137Cb 1.16 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3dkg h PRO 1137CO 0.17 0.00 -0.05 0.09 -0.21 0.00 0.00 178.00 178.00 3dkg n ASN 1138N -3.06 2.95 -3.94 -2.05 4.13 -1.26 -4.75 115.26 107.29 3dkg n ASN 1138Ca -0.03 -3.45 -0.20 0.00 1.68 0.00 0.00 54.58 52.59 3dkg n ASN 1138Cb 0.12 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.61 3dkg n ASN 1138CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3dkg s VAL 1139N -3.07 0.62 0.07 2.41 1.01 -0.91 -0.82 120.40 119.70 3dkg s VAL 1139Ca 0.43 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 3dkg s VAL 1139Cb 0.37 -0.59 -0.09 0.00 0.00 0.00 0.00 36.38 36.07 3dkg s VAL 1139CO 0.03 0.22 1.75 -0.22 0.00 0.00 0.00 175.10 176.89 3dkg s LEU 1140N 0.57 4.38 0.32 3.92 2.96 -0.00 -4.57 118.68 126.26 3dkg s LEU 1140Ca -0.08 2.57 -0.16 0.00 -0.22 0.00 0.00 54.13 56.24 3dkg s LEU 1140Cb -0.12 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3dkg s LEU 1140CO 0.00 -0.95 0.76 -0.94 -1.32 0.00 0.00 176.35 173.90 3dkg s SER 1141N 2.91 6.83 -0.31 3.68 1.04 -1.26 -4.99 113.70 121.60 3dkg s SER 1141Ca 0.78 1.34 -0.24 0.00 0.48 0.00 0.00 55.95 58.31 3dkg s SER 1141Cb -0.41 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3dkg s SER 1141CO 0.35 -0.19 0.81 -0.22 0.98 0.00 0.00 173.24 174.97 3dkg s LEU 1142N -2.86 4.08 0.15 2.42 2.96 -1.26 -4.20 118.68 119.97 3dkg s LEU 1142Ca 0.53 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 55.08 3dkg s LEU 1142Cb -0.11 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 3dkg s LEU 1142CO 0.18 -0.64 1.37 -0.07 -1.32 0.00 0.00 176.35 175.86 3dkg h LEU 1143N 9.53 0.54 0.00 -0.68 3.38 -1.30 -3.46 115.31 123.32 3dkg h LEU 1143Ca -0.24 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3dkg h LEU 1143Cb 1.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3dkg h LEU 1143CO 0.90 1.15 0.00 0.61 0.09 0.00 0.00 178.44 181.19 3dkg n GLY 1144N 0.72 -2.18 3.14 0.83 0.00 -1.10 -4.96 105.19 101.62 3dkg n GLY 1144Ca -0.05 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 3dkg n GLY 1144CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dkg s ILE 1145N -2.41 0.93 -0.03 -0.61 -4.36 -0.11 -0.66 121.20 113.94 3dkg s ILE 1145Ca 0.00 -1.25 0.06 0.00 -0.26 0.00 0.00 60.65 59.20 3dkg s ILE 1145Cb 0.00 -0.94 -0.01 0.00 1.25 0.00 0.00 42.46 42.76 3dkg s ILE 1145CO 0.00 -0.29 -0.21 0.00 0.24 0.00 0.00 174.94 174.69 3dkg s LEU 1147N -0.32 3.75 0.92 0.00 2.96 -1.26 0.66 118.68 125.38 3dkg s LEU 1147Ca 0.04 -1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 52.08 3dkg s LEU 1147Cb -0.10 -1.43 0.14 0.00 0.50 0.00 0.00 46.19 45.30 3dkg s LEU 1147CO 0.01 -0.31 1.13 -0.13 -1.32 0.00 0.00 176.35 175.72 3dkg s ARG 1148N 1.13 1.09 0.32 1.98 1.81 -0.13 -4.88 118.95 120.27 3dkg s ARG 1148Ca 0.03 0.32 -0.29 0.00 -1.72 0.00 0.00 55.73 54.07 3dkg s ARG 1148Cb -0.19 -1.83 -0.12 0.00 -0.45 0.00 0.00 34.95 32.36 3dkg s ARG 1148CO -0.09 -2.24 1.39 0.45 -0.68 0.00 0.00 175.30 174.13 3dkg n SER 1149N -3.80 3.10 -0.22 0.23 2.88 -1.26 -2.10 113.62 112.45 3dkg n SER 1149Ca 0.06 1.19 -0.03 0.00 -1.33 0.00 0.00 58.87 58.76 3dkg n SER 1149Cb 0.59 -1.51 -0.01 0.00 -0.75 0.00 0.00 64.21 62.53 3dkg n SER 1149CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dkg n GLU 1150N 1.07 -0.35 -2.06 -1.46 -0.58 -1.26 -4.11 120.64 111.89 3dkg n GLU 1150Ca 0.06 0.46 -0.02 0.00 -0.42 0.00 0.00 57.16 57.24 3dkg n GLU 1150Cb 0.36 -4.01 -0.00 0.00 -0.57 0.00 0.00 31.44 27.22 3dkg n GLU 1150CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dkg n GLY 1151N -2.34 0.32 3.46 0.62 0.00 -0.89 -4.61 105.19 101.75 3dkg n GLY 1151Ca -0.03 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 3dkg n GLY 1151CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dkg s SER 1152N -2.93 6.24 0.17 1.61 0.01 -1.20 -0.04 113.70 117.57 3dkg s SER 1152Ca 0.00 -0.81 -0.20 0.00 1.31 0.00 0.00 55.95 56.25 3dkg s SER 1152Cb -0.00 -2.32 -0.08 0.00 0.21 0.00 0.00 66.02 63.83 3dkg s SER 1152CO 0.00 -0.97 0.67 -2.16 0.41 0.00 0.00 173.24 171.20 3dkg s PRO 1153N 2.90 4.26 -0.06 12.44 0.05 -1.26 -0.95 135.00 152.37 3dkg s PRO 1153Ca 0.18 0.84 0.06 0.00 0.05 0.00 0.00 61.00 62.12 3dkg s PRO 1153Cb -0.18 -3.03 -0.01 0.00 0.05 0.00 0.00 34.50 31.33 3dkg s PRO 1153CO 0.13 0.49 -0.24 -0.51 0.05 0.00 0.00 177.00 176.93 3dkg s LEU 1154N -1.65 2.04 -0.22 -3.56 1.43 0.21 -2.30 118.68 114.64 3dkg s LEU 1154Ca 0.38 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3dkg s LEU 1154Cb -0.18 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 3dkg s LEU 1154CO 0.21 0.22 -0.04 -0.69 0.23 0.00 0.00 176.35 176.28 3dkg s VAL 1155N -0.06 3.41 -0.30 -1.59 1.01 0.31 -0.91 120.40 122.28 3dkg s VAL 1155Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3dkg s VAL 1155Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3dkg s VAL 1155CO 0.04 0.43 0.16 -0.69 0.00 0.00 0.00 175.10 175.04 3dkg s VAL 1156N 1.41 4.83 0.16 2.92 1.01 0.16 -0.39 120.40 130.51 3dkg s VAL 1156Ca 0.05 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3dkg s VAL 1156Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3dkg s VAL 1156CO -0.03 0.15 -0.19 -0.76 0.00 0.00 0.00 175.10 174.27 3dkg s LEU 1157N 1.67 2.42 0.42 3.92 1.43 0.43 -0.76 118.68 128.21 3dkg s LEU 1157Ca 0.06 -0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 52.07 3dkg s LEU 1157Cb -0.16 -0.89 -0.08 0.00 0.03 0.00 0.00 46.19 45.09 3dkg s LEU 1157CO 0.08 0.00 1.25 -2.84 0.23 0.00 0.00 176.35 175.07 3dkg s PRO 1158N -2.66 3.90 0.15 1.29 0.02 -1.26 0.82 135.00 137.26 3dkg s PRO 1158Ca 0.15 2.02 -0.31 0.00 0.02 0.00 0.00 61.00 62.88 3dkg s PRO 1158Cb -0.07 -2.65 -0.09 0.00 0.02 0.00 0.00 34.50 31.72 3dkg s PRO 1158CO 0.07 -0.50 1.42 -0.47 -0.33 0.00 0.00 177.00 177.19 3dkg s TYR 1159N -1.35 3.19 -0.56 6.54 5.04 -1.15 -4.25 117.35 124.81 3dkg s TYR 1159Ca 0.59 0.91 -0.10 0.00 -2.44 0.00 0.00 57.07 56.04 3dkg s TYR 1159Cb -0.35 -3.74 0.14 0.00 0.35 0.00 0.00 41.96 38.37 3dkg s TYR 1159CO 0.44 -2.58 0.45 -1.64 -1.34 0.00 0.00 175.55 170.87 3dkg s MET 1160N 0.86 2.73 0.30 4.97 -1.94 -1.26 -4.82 119.30 120.14 3dkg s MET 1160Ca 0.64 -1.99 0.03 0.00 -1.71 0.00 0.00 55.69 52.66 3dkg s MET 1160Cb -0.39 -4.02 0.61 0.00 2.01 0.00 0.00 34.83 33.04 3dkg s MET 1160CO 0.32 -1.22 1.85 -0.22 -0.01 0.00 0.00 175.02 175.74 3dkg h LYS 1161N 8.17 0.91 -0.68 2.03 3.64 -1.81 -1.92 116.57 126.93 3dkg h LYS 1161Ca -0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3dkg h LYS 1161Cb 1.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3dkg h LYS 1161CO 0.84 0.60 0.00 0.72 -2.27 0.00 0.00 179.45 179.34 3dkg n HIS 1162N -4.59 1.30 -4.54 1.91 8.25 -0.40 -4.98 115.22 112.16 3dkg n HIS 1162Ca 0.18 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 3dkg n HIS 1162Cb 0.36 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3dkg n HIS 1162CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dkg n GLY 1163N 1.30 0.02 3.82 -1.41 0.00 -0.72 -4.65 105.19 103.54 3dkg n GLY 1163Ca 0.25 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3dkg n GLY 1163CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dkg s ASP 1164N -4.00 6.35 0.32 1.61 -4.77 -1.26 -0.69 116.67 114.23 3dkg s ASP 1164Ca 0.00 1.75 0.04 0.00 -3.30 0.00 0.00 52.55 51.05 3dkg s ASP 1164Cb 0.00 -2.53 0.56 0.00 -1.09 0.00 0.00 42.92 39.86 3dkg s ASP 1164CO 0.00 -0.78 1.83 0.25 0.70 0.00 0.00 175.17 177.18 3dkg h LEU 1165N 1.09 0.47 -0.09 2.11 5.85 -0.37 -2.47 115.31 121.91 3dkg h LEU 1165Ca -0.48 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 3dkg h LEU 1165Cb 1.20 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3dkg h LEU 1165CO 0.60 0.60 0.03 -0.09 -0.34 0.00 0.00 178.44 179.23 3dkg h ARG 1166N 0.46 0.14 -0.46 1.25 2.43 -1.74 -2.38 114.38 114.08 3dkg h ARG 1166Ca 0.09 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3dkg h ARG 1166Cb 0.43 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3dkg h ARG 1166CO 0.02 0.30 0.12 -0.91 -1.51 0.00 0.00 179.97 177.99 3dkg h ASN 1167N -0.05 0.63 0.22 -3.80 2.35 -1.88 -2.17 115.58 110.88 3dkg h ASN 1167Ca 0.03 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3dkg h ASN 1167Cb 0.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3dkg h ASN 1167CO -0.00 0.62 -0.15 0.15 -1.65 0.00 0.00 177.43 176.40 3dkg h PHE 1168N 0.67 -0.39 -0.01 1.19 3.57 -1.23 -2.22 116.94 118.51 3dkg h PHE 1168Ca 0.15 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 3dkg h PHE 1168Cb 0.24 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3dkg h PHE 1168CO 0.01 -0.24 -0.52 -0.84 -2.23 0.00 0.00 178.31 174.49 3dkg h ILE 1169N -0.37 1.37 -0.04 1.41 3.07 -1.38 -3.06 117.51 118.51 3dkg h ILE 1169Ca -0.02 -1.80 -0.07 0.00 1.55 0.00 0.00 64.86 64.53 3dkg h ILE 1169Cb 0.32 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 3dkg h ILE 1169CO 0.00 0.52 -0.32 0.03 -1.05 0.00 0.00 178.15 177.33 3dkg h ARG 1170N 0.03 0.07 -6.12 0.16 3.08 -1.21 -3.45 114.38 106.94 3dkg h ARG 1170Ca -0.00 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.45 3dkg h ARG 1170Cb 0.94 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.99 3dkg h ARG 1170CO 0.07 0.38 1.40 -1.71 -1.07 0.00 0.00 179.97 179.04 3dkg n ASN 1171N -4.14 3.56 0.05 7.04 2.85 -0.85 -4.86 115.26 118.91 3dkg n ASN 1171Ca -0.02 0.46 0.07 0.00 -0.11 0.00 0.00 54.58 54.99 3dkg n ASN 1171Cb 0.37 -1.54 0.32 0.00 1.24 0.00 0.00 39.78 40.18 3dkg n ASN 1171CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3dkg n GLU 1172N 8.29 0.06 0.04 1.20 -0.00 -1.26 -1.07 120.64 127.90 3dkg n GLU 1172Ca 0.27 0.39 0.12 0.00 -0.00 0.00 0.00 57.16 57.94 3dkg n GLU 1172Cb 0.43 -1.65 0.26 0.00 -0.00 0.00 0.00 31.44 30.48 3dkg n GLU 1172CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3dkg n THR 1173N -1.77 0.23 -3.18 3.84 -2.24 -1.26 -4.82 114.28 105.08 3dkg n THR 1173Ca 0.02 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 3dkg n THR 1173Cb 0.14 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 3dkg n THR 1173CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dkg s HIS 1174N -3.10 3.68 -0.63 4.78 3.76 -0.24 -5.04 115.29 118.51 3dkg s HIS 1174Ca 0.09 1.30 0.06 0.00 -0.15 0.00 0.00 55.06 56.36 3dkg s HIS 1174Cb 0.15 -2.55 0.28 0.00 1.11 0.00 0.00 32.58 31.57 3dkg s HIS 1174CO 0.69 0.41 0.82 0.09 -0.85 0.00 0.00 174.74 175.90 3dkg n ASN 1175N 0.96 4.04 -4.77 1.40 3.02 -1.26 -4.95 115.26 113.70 3dkg n ASN 1175Ca -0.05 -3.52 -0.38 0.00 -0.03 0.00 0.00 54.58 50.60 3dkg n ASN 1175Cb 0.51 -0.65 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3dkg n ASN 1175CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3dkg s PRO 1176N -2.79 3.76 0.53 3.52 0.04 -1.26 -4.88 135.00 133.91 3dkg s PRO 1176Ca 0.42 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.46 3dkg s PRO 1176Cb 0.19 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3dkg s PRO 1176CO -0.05 -0.61 0.74 0.95 0.04 0.00 0.00 177.00 178.08 3dkg s THR 1177N -1.40 2.73 0.25 1.26 -4.23 -1.26 -1.32 115.64 111.66 3dkg s THR 1177Ca 0.62 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 3dkg s THR 1177Cb -0.34 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.75 3dkg s THR 1177CO 0.41 -0.00 1.90 0.58 -0.54 0.00 0.00 174.62 176.98 3dkg h VAL 1178N 0.16 1.18 -0.42 2.29 2.07 -1.16 -2.04 116.25 118.33 3dkg h VAL 1178Ca -0.42 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3dkg h VAL 1178Cb 1.29 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3dkg h VAL 1178CO 0.51 0.23 0.24 0.50 0.02 0.00 0.00 177.57 179.06 3dkg h LYS 1179N 1.25 0.58 -0.37 1.57 3.64 -1.94 -1.30 116.57 120.01 3dkg h LYS 1179Ca 0.39 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 3dkg h LYS 1179Cb -0.02 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 3dkg h LYS 1179CO -0.12 0.46 0.09 -0.44 -2.27 0.00 0.00 179.45 177.17 3dkg h ASP 1180N 0.55 0.04 -0.35 4.20 3.32 -1.83 -0.62 116.42 121.73 3dkg h ASP 1180Ca 0.15 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 3dkg h ASP 1180Cb 0.04 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3dkg h ASP 1180CO -0.02 0.06 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.38 3dkg h LEU 1181N 0.22 0.70 -0.77 1.55 3.38 -1.17 -0.69 115.31 118.53 3dkg h LEU 1181Ca 0.17 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3dkg h LEU 1181Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dkg h LEU 1181CO -0.21 0.91 0.30 0.40 0.09 0.00 0.00 178.44 179.93 3dkg h ILE 1182N 0.48 1.26 -0.47 1.22 2.04 -1.17 -2.15 117.51 118.71 3dkg h ILE 1182Ca 0.09 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3dkg h ILE 1182Cb 0.62 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3dkg h ILE 1182CO 0.04 0.33 0.14 1.23 0.00 0.00 0.00 178.15 179.89 3dkg h GLY 1183N 1.11 0.60 0.61 5.37 0.00 -0.89 0.73 103.07 110.61 3dkg h GLY 1183Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.58 3dkg h GLY 1183CO -0.02 -0.02 0.23 0.74 0.00 0.00 0.00 176.54 177.47 3dkg h PHE 1184N 0.29 0.41 -0.59 5.60 0.05 -0.82 -1.19 116.94 120.69 3dkg h PHE 1184Ca 0.23 0.02 0.02 0.00 3.82 0.00 0.00 57.97 62.07 3dkg h PHE 1184Cb 0.27 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 38.07 3dkg h PHE 1184CO -0.18 0.17 0.37 0.78 -0.18 0.00 0.00 178.31 179.26 3dkg h GLY 1185N 0.44 0.84 0.98 -1.45 0.00 -0.78 -2.02 103.07 101.09 3dkg h GLY 1185Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3dkg h GLY 1185CO -0.21 0.24 0.20 -2.00 0.00 0.00 0.00 176.54 174.77 3dkg h LEU 1186N 0.73 0.39 -0.71 3.11 5.85 -0.56 -0.62 115.31 123.50 3dkg h LEU 1186Ca 0.24 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3dkg h LEU 1186Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3dkg h LEU 1186CO -0.09 0.33 0.40 1.56 -0.34 0.00 0.00 178.44 180.29 3dkg h GLN 1187N 0.43 0.70 -0.79 1.25 4.20 -0.89 -1.51 115.11 118.50 3dkg h GLN 1187Ca 0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3dkg h GLN 1187Cb 0.00 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3dkg h GLN 1187CO -0.02 0.46 0.38 0.28 -0.67 0.00 0.00 178.83 179.26 3dkg h VAL 1188N 0.72 1.25 -0.71 -0.54 2.07 -0.96 -0.87 116.25 117.20 3dkg h VAL 1188Ca 0.33 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3dkg h VAL 1188Cb 0.23 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3dkg h VAL 1188CO -0.20 0.29 0.25 0.00 0.02 0.00 0.00 177.57 177.93 3dkg h ALA 1189N 1.20 1.09 -0.46 1.67 0.00 -0.65 0.40 119.26 122.51 3dkg h ALA 1189Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3dkg h ALA 1189Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3dkg h ALA 1189CO -0.04 0.63 -0.00 0.87 0.00 0.00 0.00 179.25 180.71 3dkg h LYS 1190N 1.05 0.82 -0.42 0.00 1.57 -0.88 0.98 116.57 119.69 3dkg h LYS 1190Ca 0.24 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3dkg h LYS 1190Cb 0.25 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3dkg h LYS 1190CO -0.01 0.88 0.16 0.78 -0.57 0.00 0.00 179.45 180.68 3dkg h GLY 1191N 0.67 0.55 1.45 3.86 0.00 -0.82 -2.19 103.07 106.58 3dkg h GLY 1191Ca 0.13 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 3dkg h GLY 1191CO 0.02 0.03 -0.46 -0.33 0.00 0.00 0.00 176.54 175.80 3dkg h MET 1192N 0.32 0.60 -0.41 4.80 2.86 -0.73 -1.61 114.93 120.76 3dkg h MET 1192Ca 0.20 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3dkg h MET 1192Cb 0.18 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3dkg h MET 1192CO -0.19 0.94 0.15 -0.22 1.06 0.00 0.00 176.91 178.65 3dkg h LYS 1193N 0.48 0.31 0.19 1.72 3.64 -0.72 0.11 116.57 122.31 3dkg h LYS 1193Ca 0.03 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3dkg h LYS 1193Cb 0.99 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3dkg h LYS 1193CO 0.09 0.21 -0.25 0.35 -2.27 0.00 0.00 179.45 177.58 3dkg h PHE 1194N 0.32 -0.67 -0.60 1.91 3.57 -1.18 -1.65 116.94 118.64 3dkg h PHE 1194Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3dkg h PHE 1194Cb 0.16 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3dkg h PHE 1194CO -0.14 -0.36 0.35 -0.07 -2.23 0.00 0.00 178.31 175.86 3dkg h LEU 1195N -0.50 0.56 -0.92 0.59 3.38 -0.91 -1.87 115.31 115.64 3dkg h LEU 1195Ca 0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dkg h LEU 1195Cb 0.49 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3dkg h LEU 1195CO -0.10 0.38 0.60 0.00 0.09 0.00 0.00 178.44 179.42 3dkg h ALA 1196N 1.28 1.20 -0.02 1.53 0.00 -0.73 -0.94 119.26 121.58 3dkg h ALA 1196Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dkg h ALA 1196Cb 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3dkg h ALA 1196CO -0.12 0.50 0.03 0.66 0.00 0.00 0.00 179.25 180.32 3dkg h SER 1197N 1.19 0.00 -0.53 0.00 4.64 -0.47 0.82 113.55 119.20 3dkg h SER 1197Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3dkg h SER 1197Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3dkg h SER 1197CO -0.10 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.15 3dkg n LYS 1198N -3.60 2.29 -2.19 4.77 4.76 -0.46 -4.92 118.16 118.81 3dkg n LYS 1198Ca -0.02 -1.93 -0.18 0.00 -2.87 0.00 0.00 58.31 53.31 3dkg n LYS 1198Cb 0.11 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 3dkg n LYS 1198CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3dkg n LYS 1199N 1.03 -1.75 -3.47 1.97 4.76 0.28 -4.96 118.16 116.04 3dkg n LYS 1199Ca 0.18 0.92 -0.38 0.00 -2.87 0.00 0.00 58.31 56.16 3dkg n LYS 1199Cb 0.47 -5.49 -0.09 0.00 -1.84 0.00 0.00 35.03 28.08 3dkg n LYS 1199CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3dkg s PHE 1200N -2.81 3.29 -0.31 2.13 5.36 -0.59 -5.00 117.98 120.05 3dkg s PHE 1200Ca 0.00 0.39 -0.14 0.00 -0.96 0.00 0.00 56.93 56.22 3dkg s PHE 1200Cb 0.00 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.17 3dkg s PHE 1200CO 0.00 -0.11 0.32 0.08 -1.46 0.00 0.00 175.22 174.05 3dkg s VAL 1201N 1.65 5.21 0.04 3.12 1.01 -1.26 -3.99 120.40 126.17 3dkg s VAL 1201Ca 0.14 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 3dkg s VAL 1201Cb -0.15 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3dkg s VAL 1201CO 0.09 0.06 1.40 -0.74 0.00 0.00 0.00 175.10 175.91 3dkg h HIS 1202N 8.36 0.28 0.00 5.22 2.76 -1.97 -3.47 115.15 126.33 3dkg h HIS 1202Ca -0.32 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 3dkg h HIS 1202Cb 1.16 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.05 3dkg h HIS 1202CO 0.72 0.57 0.00 0.54 -1.30 0.00 0.00 177.93 178.46 3dkg n ARG 1203N -4.71 0.00 -2.74 5.26 1.74 -1.26 -4.73 116.66 110.22 3dkg n ARG 1203Ca -0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.97 3dkg n ARG 1203Cb 0.27 -1.76 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3dkg n ARG 1203CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dkg n ASP 1204N 0.00 0.97 -4.68 0.55 2.03 -1.26 -4.94 116.55 109.22 3dkg n ASP 1204Ca 0.00 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 3dkg n ASP 1204Cb 0.00 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 3dkg n ASP 1204CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dkg s LEU 1205N -3.49 4.29 0.05 -2.67 2.96 -1.26 -4.82 118.68 113.75 3dkg s LEU 1205Ca 0.25 1.96 -0.27 0.00 -0.22 0.00 0.00 54.13 55.85 3dkg s LEU 1205Cb 0.40 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.61 3dkg s LEU 1205CO -0.02 -0.67 0.72 0.00 -1.32 0.00 0.00 176.35 175.06 3dkg s ALA 1206N 2.46 -1.72 0.38 5.97 0.00 -1.26 -4.74 121.76 122.85 3dkg s ALA 1206Ca 0.60 0.88 0.09 0.00 0.00 0.00 0.00 51.96 53.53 3dkg s ALA 1206Cb -0.28 0.47 0.85 0.00 0.00 0.00 0.00 23.12 24.16 3dkg s ALA 1206CO 0.24 -0.63 1.92 0.00 0.00 0.00 0.00 175.76 177.29 3dkg h ALA 1207N 2.24 1.85 0.00 0.00 0.00 -1.94 -0.53 119.26 120.89 3dkg h ALA 1207Ca -0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3dkg h ALA 1207Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dkg h ALA 1207CO 0.36 -0.03 -0.05 0.07 0.00 0.00 0.00 179.25 179.60 3dkg h ARG 1208N 0.64 0.00 -0.56 0.00 0.11 -1.95 -2.64 114.38 109.99 3dkg h ARG 1208Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 3dkg h ARG 1208Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3dkg h ARG 1208CO -0.14 0.05 0.00 0.09 0.10 0.00 0.00 179.97 180.07 3dkg n ASN 1209N -3.48 3.68 -4.60 0.08 3.02 -0.21 -4.68 115.26 109.07 3dkg n ASN 1209Ca -0.02 -1.99 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 3dkg n ASN 1209Cb 0.17 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 3dkg n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dkg s MET 1211N -2.43 1.16 -0.10 0.00 -1.94 -0.19 0.03 119.30 115.82 3dkg s MET 1211Ca 0.23 -1.41 0.04 0.00 -1.71 0.00 0.00 55.69 52.84 3dkg s MET 1211Cb -0.11 -0.96 0.00 0.00 2.01 0.00 0.00 34.83 35.77 3dkg s MET 1211CO 0.15 0.17 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.58 3dkg s LEU 1212N -2.90 2.09 0.00 -0.03 1.02 0.13 -0.08 118.68 118.91 3dkg s LEU 1212Ca 0.16 -0.56 -0.02 0.00 0.02 0.00 0.00 54.13 53.72 3dkg s LEU 1212Cb -0.02 -1.41 0.09 0.00 0.02 0.00 0.00 46.19 44.87 3dkg s LEU 1212CO 0.04 0.15 0.57 -0.90 0.02 0.00 0.00 176.35 176.24 3dkg n ASP 1213N 3.55 0.55 0.30 2.29 5.68 -0.85 -1.27 116.55 126.80 3dkg n ASP 1213Ca -0.19 -1.52 0.19 0.00 -0.50 0.00 0.00 54.79 52.77 3dkg n ASP 1213Cb 0.53 -0.39 0.93 0.00 -1.14 0.00 0.00 41.12 41.05 3dkg n ASP 1213CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3dkg h GLU 1214N 0.00 0.00 -0.43 0.11 9.09 -1.91 -1.51 114.58 119.93 3dkg h GLU 1214Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 3dkg h GLU 1214Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.74 3dkg h GLU 1214CO 0.18 0.02 0.00 1.63 0.05 0.00 0.00 179.01 180.89 3dkg n LYS 1215N -3.18 2.11 -2.75 1.06 5.02 -1.26 -4.91 118.16 114.25 3dkg n LYS 1215Ca -0.01 -1.71 -0.21 0.00 -2.02 0.00 0.00 58.31 54.36 3dkg n LYS 1215Cb 0.19 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3dkg n LYS 1215CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3dkg n PHE 1216N 0.89 -1.54 -2.94 2.13 3.01 -0.57 -4.98 117.46 113.46 3dkg n PHE 1216Ca 0.17 0.28 -0.41 0.00 1.01 0.00 0.00 57.45 58.49 3dkg n PHE 1216Cb 0.42 -4.10 -0.04 0.00 -0.01 0.00 0.00 39.48 35.74 3dkg n PHE 1216CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3dkg s THR 1217N -3.08 4.91 0.02 4.37 2.01 -1.26 -4.86 115.64 117.75 3dkg s THR 1217Ca 0.17 1.54 -0.30 0.00 0.31 0.00 0.00 61.69 63.41 3dkg s THR 1217Cb -0.08 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 3dkg s THR 1217CO 0.21 0.04 1.00 -0.69 -0.69 0.00 0.00 174.62 174.49 3dkg s VAL 1218N 2.10 4.75 -0.18 3.82 1.01 -1.26 -2.00 120.40 128.63 3dkg s VAL 1218Ca 0.36 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 64.34 3dkg s VAL 1218Cb -0.16 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.94 3dkg s VAL 1218CO 0.12 0.17 -0.15 -0.54 0.00 0.00 0.00 175.10 174.70 3dkg s LYS 1219N 0.90 3.14 0.08 2.72 -0.14 0.88 -4.31 119.74 123.00 3dkg s LYS 1219Ca 0.52 -0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 54.06 3dkg s LYS 1219Cb -0.22 -2.68 -0.09 0.00 -1.68 0.00 0.00 37.83 33.16 3dkg s LYS 1219CO 0.28 -0.14 1.68 0.08 -0.76 0.00 0.00 175.35 176.50 3dkg s VAL 1220N 1.20 2.96 0.00 3.17 1.01 -0.00 -1.02 120.40 127.72 3dkg s VAL 1220Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3dkg s VAL 1220Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3dkg s VAL 1220CO -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.03 3dkg n ALA 1221N 5.65 0.00 -3.84 5.51 0.00 -0.54 -0.82 120.51 126.47 3dkg n ALA 1221Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 3dkg n ALA 1221Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 3dkg n ALA 1221CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dkg n ASP 1222N 0.00 -1.02 -4.00 0.00 4.64 -1.25 -4.82 116.55 110.10 3dkg n ASP 1222Ca 0.00 -0.91 -0.09 0.00 -1.38 0.00 0.00 54.79 52.41 3dkg n ASP 1222Cb 0.00 -3.55 -0.08 0.00 -1.04 0.00 0.00 41.12 36.45 3dkg n ASP 1222CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3dkg s PHE 1223N -3.77 0.49 0.00 -0.67 -0.12 -1.26 -4.62 117.98 108.03 3dkg s PHE 1223Ca 0.06 -0.86 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 3dkg s PHE 1223Cb -0.03 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.20 3dkg s PHE 1223CO 0.85 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 175.77 3dkg n GLY 1224N -0.17 3.16 0.01 1.99 0.00 -1.26 -1.51 105.19 107.40 3dkg n GLY 1224Ca -0.07 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3dkg n GLY 1224CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dkg n LEU 1225N 0.00 0.05 -0.48 0.99 4.77 -1.26 -2.07 117.00 119.00 3dkg n LEU 1225Ca 0.00 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 3dkg n LEU 1225Cb 0.00 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.08 3dkg n LEU 1225CO 0.00 -0.12 0.84 0.00 -1.33 0.00 0.00 177.39 176.78 3dkg n ALA 1226N -1.52 2.56 -0.29 -1.18 0.00 -0.57 -5.00 120.51 114.51 3dkg n ALA 1226Ca 0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.74 3dkg n ALA 1226Cb 0.27 -1.15 0.29 0.00 0.00 0.00 0.00 19.45 18.86 3dkg n ALA 1226CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dkg n ARG 1227N 0.15 -4.34 -3.48 0.00 3.00 -0.88 -4.08 116.66 107.03 3dkg n ARG 1227Ca 0.18 -1.28 -0.37 0.00 -0.00 0.00 0.00 57.85 56.38 3dkg n ARG 1227Cb 0.32 -1.99 -0.07 0.00 0.00 0.00 0.00 32.46 30.73 3dkg n ARG 1227CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3dkg s LEU 1245N -7.86 4.30 -1.47 6.15 1.43 -1.26 -4.96 118.68 115.01 3dkg s LEU 1245Ca 0.68 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 54.36 3dkg s LEU 1245Cb -0.16 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.60 3dkg s LEU 1245CO 0.59 0.12 2.50 -0.81 0.23 0.00 0.00 176.35 178.99 3dkg n PRO 1246N 3.22 3.70 0.23 1.29 -0.04 -1.26 -4.78 135.00 137.36 3dkg n PRO 1246Ca -0.11 -2.78 0.10 0.00 -0.04 0.00 0.00 63.50 60.67 3dkg n PRO 1246Cb 0.52 -2.90 0.68 0.00 -0.04 0.00 0.00 33.50 31.76 3dkg n PRO 1246CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3dkg h VAL 1247N 3.25 0.91 0.00 0.52 -1.51 -1.96 -0.47 116.25 117.00 3dkg h VAL 1247Ca 0.70 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.17 3dkg h VAL 1247Cb 0.42 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 3dkg h VAL 1247CO 1.72 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 178.35 3dkg n LYS 1248N -4.43 0.27 0.00 5.19 5.02 -1.26 -2.26 118.16 120.69 3dkg n LYS 1248Ca -0.01 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.40 3dkg n LYS 1248Cb 0.15 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 3dkg n LYS 1248CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dkg n TRP 1249N -1.34 0.00 -3.35 2.13 8.01 -0.19 -4.99 117.44 117.70 3dkg n TRP 1249Ca 0.11 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.91 3dkg n TRP 1249Cb 0.23 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.47 3dkg n TRP 1249CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3dkg s MET 1250N -1.50 4.11 0.62 -0.99 -1.94 -0.96 -3.39 119.30 115.26 3dkg s MET 1250Ca 0.16 0.63 -0.18 0.00 -1.71 0.00 0.00 55.69 54.59 3dkg s MET 1250Cb 0.13 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 3dkg s MET 1250CO 0.27 0.66 1.22 0.00 -0.01 0.00 0.00 175.02 177.15 3dkg s ALA 1251N -1.10 2.46 0.19 3.03 0.00 -1.26 -4.82 121.76 120.24 3dkg s ALA 1251Ca 0.27 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 3dkg s ALA 1251Cb -0.19 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.63 3dkg s ALA 1251CO 0.17 -1.34 1.64 -0.07 0.00 0.00 0.00 175.76 176.16 3dkg h LEU 1252N 0.64 -0.59 -1.59 0.00 3.38 -1.95 -1.39 115.31 113.80 3dkg h LEU 1252Ca -0.50 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3dkg h LEU 1252Cb 1.30 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3dkg h LEU 1252CO 0.54 -0.20 -0.18 1.05 0.09 0.00 0.00 178.44 179.74 3dkg h GLU 1253N -0.04 0.04 -0.28 1.13 9.09 -1.92 -2.38 114.58 120.22 3dkg h GLU 1253Ca 0.25 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 59.46 3dkg h GLU 1253Cb 0.42 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 3dkg h GLU 1253CO -0.55 0.22 -0.56 0.77 0.05 0.00 0.00 179.01 178.94 3dkg h SER 1254N 0.04 0.98 -0.17 3.06 0.02 -1.52 -0.59 113.55 115.37 3dkg h SER 1254Ca 0.01 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 3dkg h SER 1254Cb 0.34 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3dkg h SER 1254CO 0.02 1.34 0.08 -0.07 -1.14 0.00 0.00 176.83 177.06 3dkg h LEU 1255N 0.66 0.25 0.06 5.07 3.38 -0.85 0.29 115.31 124.18 3dkg h LEU 1255Ca 0.01 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 3dkg h LEU 1255Cb 1.17 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3dkg h LEU 1255CO 0.12 0.23 -1.80 1.56 0.09 0.00 0.00 178.44 178.65 3dkg h GLN 1256N 0.29 0.13 0.00 1.13 4.20 -1.38 -3.41 115.11 116.06 3dkg h GLN 1256Ca 0.07 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3dkg h GLN 1256Cb 0.06 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3dkg h GLN 1256CO -0.01 0.84 -0.56 0.25 -0.67 0.00 0.00 178.83 178.68 3dkg n THR 1257N -3.26 0.00 -1.55 -0.54 -2.24 -0.24 -5.00 114.28 101.45 3dkg n THR 1257Ca -0.22 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 3dkg n THR 1257Cb 1.05 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 70.00 3dkg n THR 1257CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dkg n GLN 1258N -1.30 -1.22 -4.13 -0.78 6.02 0.10 -5.00 117.38 111.07 3dkg n GLN 1258Ca 0.00 1.10 -0.36 0.00 -0.01 0.00 0.00 57.00 57.73 3dkg n GLN 1258Cb 0.09 -5.34 -0.08 0.00 1.02 0.00 0.00 30.24 25.93 3dkg n GLN 1258CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3dkg s LYS 1259N -3.55 3.20 -0.03 -1.09 1.02 -1.26 -5.05 119.74 112.97 3dkg s LYS 1259Ca 0.00 -0.28 0.07 0.00 0.02 0.00 0.00 55.97 55.78 3dkg s LYS 1259Cb 0.00 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3dkg s LYS 1259CO 0.00 0.74 -0.26 -0.06 -0.92 0.00 0.00 175.35 174.85 3dkg s PHE 1260N -0.96 2.37 0.34 3.18 0.40 -1.26 -4.11 117.98 117.94 3dkg s PHE 1260Ca 0.14 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3dkg s PHE 1260Cb -0.12 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 3dkg s PHE 1260CO 0.03 -0.11 0.16 0.95 0.70 0.00 0.00 175.22 176.95 3dkg s THR 1261N -0.44 0.42 0.30 0.64 -4.23 -1.26 -4.99 115.64 106.08 3dkg s THR 1261Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3dkg s THR 1261Cb -0.11 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.52 3dkg s THR 1261CO 0.01 0.00 1.92 0.74 -0.54 0.00 0.00 174.62 176.75 3dkg h THR 1262N 2.09 1.09 0.00 3.99 2.02 -1.98 -1.47 112.91 118.65 3dkg h THR 1262Ca -0.34 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 3dkg h THR 1262Cb 1.25 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3dkg h THR 1262CO 0.53 0.19 -0.19 0.11 0.37 0.00 0.00 175.52 176.53 3dkg h LYS 1263N 1.03 0.00 0.00 6.66 1.79 -1.95 -0.96 116.57 123.14 3dkg h LYS 1263Ca 0.37 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.66 3dkg h LYS 1263Cb 0.14 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 3dkg h LYS 1263CO -0.13 0.19 -0.86 0.66 -1.08 0.00 0.00 179.45 178.23 3dkg h SER 1264N 0.00 0.00 -0.79 0.86 4.64 -1.75 -2.95 113.55 113.56 3dkg h SER 1264Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3dkg h SER 1264Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 3dkg h SER 1264CO 0.02 0.86 0.45 0.44 -0.87 0.00 0.00 176.83 177.73 3dkg h ASP 1265N 0.00 0.99 -0.65 4.97 3.32 -0.58 -2.27 116.42 122.20 3dkg h ASP 1265Ca -0.01 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3dkg h ASP 1265Cb 1.65 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 3dkg h ASP 1265CO 0.11 0.79 0.42 0.58 -1.72 0.00 0.00 179.24 179.42 3dkg h VAL 1266N 1.12 1.14 -0.17 -1.35 2.07 -1.16 0.13 116.25 118.03 3dkg h VAL 1266Ca 0.28 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3dkg h VAL 1266Cb 0.01 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 3dkg h VAL 1266CO -0.05 0.16 -0.20 -0.25 0.02 0.00 0.00 177.57 177.25 3dkg h TRP 1267N 0.85 -0.51 -0.92 1.57 2.91 -1.32 -1.13 115.95 117.40 3dkg h TRP 1267Ca 0.24 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.32 3dkg h TRP 1267Cb -0.07 0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.78 3dkg h TRP 1267CO -0.03 -0.27 0.61 0.77 -1.03 0.00 0.00 178.44 178.48 3dkg h SER 1268N -0.23 1.01 -0.68 2.65 0.02 -0.97 -1.99 113.55 113.37 3dkg h SER 1268Ca 0.11 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dkg h SER 1268Cb 0.40 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3dkg h SER 1268CO -0.31 0.70 0.44 0.15 -1.14 0.00 0.00 176.83 176.67 3dkg h PHE 1269N 1.18 0.87 -0.61 3.45 3.04 -0.33 0.43 116.94 124.97 3dkg h PHE 1269Ca 0.36 0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.45 3dkg h PHE 1269Cb -0.02 -0.29 -0.11 0.00 2.56 0.00 0.00 35.95 38.09 3dkg h PHE 1269CO -0.00 0.56 -0.04 0.78 -2.02 0.00 0.00 178.31 177.59 3dkg h GLY 1270N 0.92 0.58 1.00 2.40 0.00 -0.48 0.17 103.07 107.68 3dkg h GLY 1270Ca 0.25 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 3dkg h GLY 1270CO -0.05 -0.21 0.12 -2.08 0.00 0.00 0.00 176.54 174.32 3dkg h VAL 1271N 0.08 1.25 -0.85 4.60 2.07 -0.97 -2.27 116.25 120.16 3dkg h VAL 1271Ca 0.31 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.98 3dkg h VAL 1271Cb 0.50 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3dkg h VAL 1271CO -0.55 0.33 0.52 0.25 0.02 0.00 0.00 177.57 178.15 3dkg h LEU 1272N 0.80 0.82 -0.82 2.57 6.46 -0.41 0.38 115.31 125.11 3dkg h LEU 1272Ca 0.17 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3dkg h LEU 1272Cb 0.36 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 3dkg h LEU 1272CO 0.00 0.53 0.52 -0.07 -0.62 0.00 0.00 178.44 178.80 3dkg h LEU 1273N 0.96 0.96 -0.56 2.25 3.38 -0.70 -0.51 115.31 121.09 3dkg h LEU 1273Ca 0.37 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3dkg h LEU 1273Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3dkg h LEU 1273CO -0.17 0.72 0.35 -0.25 0.09 0.00 0.00 178.44 179.18 3dkg h TRP 1274N 1.12 0.66 -0.44 1.13 7.01 -0.75 -1.91 115.95 122.77 3dkg h TRP 1274Ca 0.30 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.35 3dkg h TRP 1274Cb -0.09 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.72 3dkg h TRP 1274CO -0.01 0.40 0.22 0.93 -2.79 0.00 0.00 178.44 177.19 3dkg h GLU 1275N 0.71 0.43 0.01 2.65 5.08 -0.49 -1.43 114.58 121.54 3dkg h GLU 1275Ca 0.22 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3dkg h GLU 1275Cb -0.02 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3dkg h GLU 1275CO -0.08 0.29 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.96 3dkg h LEU 1276N 0.45 -0.54 -1.05 1.33 3.38 -0.81 0.22 115.31 118.28 3dkg h LEU 1276Ca 0.19 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3dkg h LEU 1276Cb 0.10 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dkg h LEU 1276CO -0.13 -0.25 0.00 0.24 0.09 0.00 0.00 178.44 178.38 3dkg h MET 1277N -0.30 0.00 -0.09 1.13 2.86 -1.15 -1.00 114.93 116.38 3dkg h MET 1277Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3dkg h MET 1277Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3dkg h MET 1277CO -0.17 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.05 3dkg n THR 1278N -3.09 0.10 -3.75 2.22 -2.24 -0.56 -4.57 114.28 102.40 3dkg n THR 1278Ca 0.02 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.23 3dkg n THR 1278Cb 0.37 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3dkg n THR 1278CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dkg n ARG 1279N 0.37 -5.18 -0.64 -0.78 1.74 -0.38 -3.72 116.66 108.07 3dkg n ARG 1279Ca 0.18 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 3dkg n ARG 1279Cb 0.37 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 3dkg n ARG 1279CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dkg n GLY 1280N -1.62 0.87 3.77 -0.13 0.00 0.71 -3.69 105.19 105.10 3dkg n GLY 1280Ca -0.20 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 3dkg n GLY 1280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkg s ALA 1281N -2.00 3.08 0.17 4.61 0.00 -1.24 -4.95 121.76 121.42 3dkg s ALA 1281Ca 0.00 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.68 3dkg s ALA 1281Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3dkg s ALA 1281CO 0.00 -0.69 1.42 -1.25 0.00 0.00 0.00 175.76 175.24 3dkg s PRO 1282N -2.49 4.30 0.52 0.00 0.04 -1.26 -4.77 135.00 131.34 3dkg s PRO 1282Ca 0.61 2.18 -0.21 0.00 0.04 0.00 0.00 61.00 63.62 3dkg s PRO 1282Cb -0.32 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 3dkg s PRO 1282CO 0.39 -0.43 1.15 -2.14 0.04 0.00 0.00 177.00 176.01 3dkg s PRO 1283N 0.56 3.44 -1.20 0.56 0.02 -1.26 -3.90 135.00 133.22 3dkg s PRO 1283Ca 0.63 1.70 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 3dkg s PRO 1283Cb -0.39 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3dkg s PRO 1283CO 0.35 -0.80 0.70 0.66 -0.33 0.00 0.00 177.00 177.58 3dkg n TYR 1284N -1.07 -1.77 -0.04 6.54 4.01 -1.26 -4.90 117.16 118.67 3dkg n TYR 1284Ca 0.10 0.44 -0.10 0.00 -0.16 0.00 0.00 57.90 58.18 3dkg n TYR 1284Cb 0.50 -3.37 -0.04 0.00 -0.31 0.00 0.00 39.34 36.11 3dkg n TYR 1284CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3dkg h PRO 1285N -2.02 -0.37 -0.56 -0.72 0.11 -2.00 -1.26 132.00 125.18 3dkg h PRO 1285Ca -0.67 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3dkg h PRO 1285Cb 1.37 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.57 3dkg h PRO 1285CO 0.51 -0.25 0.00 -0.25 -0.21 0.00 0.00 178.00 177.81 3dkg n ASP 1286N -5.42 0.60 -4.49 -2.05 8.00 -1.26 -4.82 116.55 107.11 3dkg n ASP 1286Ca -0.02 -2.01 -0.34 0.00 0.71 0.00 0.00 54.79 53.13 3dkg n ASP 1286Cb 0.34 -0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 3dkg n ASP 1286CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dkg s VAL 1287N -1.45 4.03 0.15 2.53 1.01 -0.48 -5.07 120.40 121.12 3dkg s VAL 1287Ca 0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 3dkg s VAL 1287Cb 0.00 -2.79 -0.11 0.00 0.00 0.00 0.00 36.38 33.48 3dkg s VAL 1287CO 0.00 0.46 1.81 -3.20 0.00 0.00 0.00 175.10 174.17 3dkg n ASN 1288N 3.81 4.04 -0.19 3.32 2.85 -1.26 -4.93 115.26 122.90 3dkg n ASN 1288Ca -0.17 1.01 -0.03 0.00 -0.11 0.00 0.00 54.58 55.28 3dkg n ASN 1288Cb 0.52 -1.55 0.04 0.00 1.24 0.00 0.00 39.78 40.02 3dkg n ASN 1288CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3dkg h THR 1289N 4.42 0.33 0.00 -0.44 2.02 -1.97 -0.22 112.91 117.04 3dkg h THR 1289Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3dkg h THR 1289Cb 1.22 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3dkg h THR 1289CO 0.95 0.00 -0.01 -0.26 0.37 0.00 0.00 175.52 176.57 3dkg h PHE 1290N -0.07 0.00 -0.64 3.16 -1.00 -2.02 -3.11 116.94 113.26 3dkg h PHE 1290Ca 0.26 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.91 3dkg h PHE 1290Cb 0.48 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.96 3dkg h PHE 1290CO -0.53 0.01 0.15 -0.40 -1.61 0.00 0.00 178.31 175.94 3dkg n ASP 1291N -3.23 5.04 0.06 2.17 5.75 -0.09 -4.66 116.55 121.59 3dkg n ASP 1291Ca -0.02 -3.13 -0.17 0.00 -0.01 0.00 0.00 54.79 51.46 3dkg n ASP 1291Cb 0.12 -0.71 -0.08 0.00 -1.03 0.00 0.00 41.12 39.42 3dkg n ASP 1291CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3dkg h ILE 1292N 3.02 1.35 -0.42 2.12 6.09 -1.57 -2.57 117.51 125.54 3dkg h ILE 1292Ca 0.16 -2.41 -0.03 0.00 -1.37 0.00 0.00 64.86 61.21 3dkg h ILE 1292Cb 2.15 2.46 -0.02 0.00 0.47 0.00 0.00 36.82 41.88 3dkg h ILE 1292CO 0.61 0.73 0.14 0.74 -3.07 0.00 0.00 178.15 177.30 3dkg h THR 1293N 0.29 1.21 -0.61 2.19 2.02 -1.88 -0.22 112.91 115.91 3dkg h THR 1293Ca -0.11 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 3dkg h THR 1293Cb 1.68 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 3dkg h THR 1293CO 0.19 0.25 0.02 1.62 0.37 0.00 0.00 175.52 177.97 3dkg h VAL 1294N 0.53 1.27 0.31 3.16 3.04 -1.90 -0.51 116.25 122.14 3dkg h VAL 1294Ca 0.14 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.70 3dkg h VAL 1294Cb 0.24 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 3dkg h VAL 1294CO -0.01 0.41 -0.28 0.22 -1.01 0.00 0.00 177.57 176.90 3dkg h TYR 1295N 0.96 -0.74 -0.73 3.17 3.20 -1.21 -2.33 116.97 119.29 3dkg h TYR 1295Ca 0.17 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3dkg h TYR 1295Cb 0.54 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 3dkg h TYR 1295CO 0.04 -0.41 0.46 -0.07 -1.64 0.00 0.00 178.16 176.54 3dkg h LEU 1296N -0.61 0.77 -0.34 2.82 3.38 -0.94 -2.19 115.31 118.19 3dkg h LEU 1296Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dkg h LEU 1296Cb 0.55 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dkg h LEU 1296CO -0.04 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.20 3dkg n LEU 1297N -4.64 0.27 0.02 1.67 4.77 -0.21 -0.95 117.00 117.94 3dkg n LEU 1297Ca 0.08 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.72 3dkg n LEU 1297Cb 0.08 -0.55 0.39 0.00 -2.33 0.00 0.00 43.42 41.00 3dkg n LEU 1297CO 0.34 -0.43 0.79 0.00 -1.33 0.00 0.00 177.39 176.75 3dkg n GLN 1298N -1.81 0.04 -0.02 3.23 6.02 -0.82 -4.88 117.38 119.13 3dkg n GLN 1298Ca 0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 3dkg n GLN 1298Cb 0.16 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3dkg n GLN 1298CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dkg n GLY 1299N 0.28 0.64 3.33 1.08 0.00 -0.13 -5.12 105.19 105.27 3dkg n GLY 1299Ca 0.04 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3dkg n GLY 1299CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dkg s ARG 1300N 0.67 1.27 0.11 1.61 0.52 -1.00 -5.09 118.95 117.04 3dkg s ARG 1300Ca 0.00 -1.35 -0.05 0.00 -0.52 0.00 0.00 55.73 53.81 3dkg s ARG 1300Cb 0.00 -1.44 -0.02 0.00 0.52 0.00 0.00 34.95 34.00 3dkg s ARG 1300CO 0.00 0.31 0.12 1.03 0.02 0.00 0.00 175.30 176.78 3dkg s ARG 1301N -2.49 0.90 0.25 3.54 1.81 -1.26 -4.70 118.95 117.00 3dkg s ARG 1301Ca 0.14 -1.22 -0.30 0.00 -1.72 0.00 0.00 55.73 52.62 3dkg s ARG 1301Cb -0.07 0.29 -0.14 0.00 -0.45 0.00 0.00 34.95 34.58 3dkg s ARG 1301CO 0.06 -0.27 1.22 1.28 -0.68 0.00 0.00 175.30 176.91 3dkg n LEU 1302N -0.07 2.44 -4.75 2.53 4.77 -1.26 -4.96 117.00 115.70 3dkg n LEU 1302Ca -0.10 1.16 -0.32 0.00 -0.03 0.00 0.00 56.01 56.72 3dkg n LEU 1302Cb 0.63 -1.35 0.09 0.00 -2.33 0.00 0.00 43.42 40.46 3dkg n LEU 1302CO 0.27 -0.93 0.72 -0.76 -1.33 0.00 0.00 177.39 175.36 3dkg s LEU 1303N 0.15 3.15 -0.14 2.23 1.43 -1.26 -4.97 118.68 119.27 3dkg s LEU 1303Ca 0.65 2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 55.46 3dkg s LEU 1303Cb -0.70 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 40.95 3dkg s LEU 1303CO 0.55 -2.13 1.41 -1.58 0.23 0.00 0.00 176.35 174.83 3dkg s GLN 1304N -4.48 4.17 0.56 1.70 0.74 -1.26 -5.00 119.66 116.09 3dkg s GLN 1304Ca 0.66 1.81 -0.21 0.00 0.05 0.00 0.00 55.36 57.66 3dkg s GLN 1304Cb -0.21 -3.86 -0.05 0.00 1.10 0.00 0.00 33.01 29.99 3dkg s GLN 1304CO 0.51 -0.81 1.23 -2.30 -0.55 0.00 0.00 175.29 173.36 3dkg n PRO 1305N 6.89 1.41 -0.34 1.67 -0.02 -1.26 -4.90 135.00 138.44 3dkg n PRO 1305Ca 0.15 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 3dkg n PRO 1305Cb 0.44 -2.43 0.33 0.00 -0.02 0.00 0.00 33.50 31.82 3dkg n PRO 1305CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dkg h GLU 1306N 1.12 0.66 -0.56 -0.52 4.81 -1.94 -2.06 114.58 116.09 3dkg h GLU 1306Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3dkg h GLU 1306Cb 1.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3dkg h GLU 1306CO 0.55 0.43 0.00 0.66 -0.73 0.00 0.00 179.01 179.93 3dkg n TYR 1307N -4.83 0.73 -2.86 0.92 4.01 -1.26 -4.91 117.16 108.96 3dkg n TYR 1307Ca 0.24 -0.37 -0.42 0.00 -0.16 0.00 0.00 57.90 57.19 3dkg n TYR 1307Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 3dkg n TYR 1307CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dkg s PRO 1309N 2.71 3.07 0.18 0.00 0.02 -1.26 -4.80 135.00 134.92 3dkg s PRO 1309Ca 0.37 2.21 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 3dkg s PRO 1309Cb -0.16 -2.20 0.18 0.00 0.02 0.00 0.00 34.50 32.34 3dkg s PRO 1309CO 0.08 -1.24 1.69 -0.44 -0.33 0.00 0.00 177.00 176.76 3dkg h ASP 1310N 1.34 -0.20 0.16 2.53 3.45 -1.98 -1.79 116.42 119.93 3dkg h ASP 1310Ca -0.51 0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.03 3dkg h ASP 1310Cb 1.30 0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 40.27 3dkg h ASP 1310CO 0.57 -0.06 -0.17 1.55 -1.57 0.00 0.00 179.24 179.55 3dkg h PRO 1311N 0.12 0.02 -0.22 3.56 0.13 -1.99 -0.36 132.00 133.26 3dkg h PRO 1311Ca 0.24 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.20 3dkg h PRO 1311Cb 0.36 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 3dkg h PRO 1311CO -0.40 0.20 -0.54 1.25 -0.23 0.00 0.00 178.00 178.28 3dkg h LEU 1312N 0.02 0.72 -0.77 1.56 5.85 -1.76 -1.66 115.31 119.27 3dkg h LEU 1312Ca 0.00 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 3dkg h LEU 1312Cb 0.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3dkg h LEU 1312CO 0.02 1.11 -0.04 0.22 -0.34 0.00 0.00 178.44 179.41 3dkg h TYR 1313N 0.50 0.96 -0.67 1.25 -0.00 -0.62 -1.05 116.97 117.34 3dkg h TYR 1313Ca 0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 58.73 58.58 3dkg h TYR 1313Cb 1.10 -0.25 -0.03 0.00 -0.00 0.00 0.00 36.73 37.54 3dkg h TYR 1313CO 0.05 0.89 0.43 0.93 -0.00 0.00 0.00 178.16 180.46 3dkg h GLU 1314N 0.81 0.90 -0.58 1.82 5.08 -0.98 -0.50 114.58 121.12 3dkg h GLU 1314Ca 0.14 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3dkg h GLU 1314Cb 0.54 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3dkg h GLU 1314CO 0.03 0.62 0.28 0.28 -1.00 0.00 0.00 179.01 179.22 3dkg h VAL 1315N 0.92 0.91 -0.58 3.13 2.07 -0.97 -1.67 116.25 120.05 3dkg h VAL 1315Ca 0.24 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3dkg h VAL 1315Cb -0.07 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3dkg h VAL 1315CO -0.05 0.10 0.37 0.24 0.02 0.00 0.00 177.57 178.25 3dkg h MET 1316N 0.53 0.73 -0.85 1.57 2.86 -0.50 -0.71 114.93 118.56 3dkg h MET 1316Ca 0.27 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3dkg h MET 1316Cb 0.21 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 3dkg h MET 1316CO -0.20 0.48 0.50 -0.07 1.06 0.00 0.00 176.91 178.68 3dkg h LEU 1317N 0.75 1.02 -0.73 1.22 3.38 -0.78 -1.82 115.31 118.36 3dkg h LEU 1317Ca 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3dkg h LEU 1317Cb -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3dkg h LEU 1317CO -0.07 0.79 0.43 0.11 0.09 0.00 0.00 178.44 179.79 3dkg h LYS 1318N 1.17 1.01 0.00 1.13 1.57 -0.89 -2.42 116.57 118.13 3dkg h LYS 1318Ca 0.30 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3dkg h LYS 1318Cb -0.04 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 3dkg h LYS 1318CO -0.06 0.73 -0.02 0.00 -0.57 0.00 0.00 179.45 179.53 3dkg n TRP 1320N -4.20 2.13 -1.65 0.00 8.01 -0.74 -3.40 117.44 117.59 3dkg n TRP 1320Ca -0.03 -1.00 -0.46 0.00 -1.31 0.00 0.00 57.50 54.71 3dkg n TRP 1320Cb 0.10 -0.58 -0.03 0.00 -2.01 0.00 0.00 31.31 28.80 3dkg n TRP 1320CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3dkg n HIS 1321N 0.09 1.93 0.27 -5.99 -0.00 -1.02 -4.85 115.22 105.65 3dkg n HIS 1321Ca 0.34 0.50 0.10 0.00 0.46 0.00 0.00 57.72 59.12 3dkg n HIS 1321Cb 1.26 -2.41 0.73 0.00 -0.12 0.00 0.00 29.99 29.45 3dkg n HIS 1321CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3dkg h PRO 1322N 3.94 0.00 -5.19 1.57 0.13 -1.92 -3.37 132.00 127.16 3dkg h PRO 1322Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 3dkg h PRO 1322Cb 1.29 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.26 3dkg h PRO 1322CO 0.74 0.03 -0.02 0.15 -0.23 0.00 0.00 178.00 178.67 3dkg s LYS 1323N -4.81 3.24 0.24 0.86 1.02 -1.26 -4.94 119.74 114.10 3dkg s LYS 1323Ca -0.05 -0.50 -0.05 0.00 0.02 0.00 0.00 55.97 55.40 3dkg s LYS 1323Cb 0.16 -3.94 0.47 0.00 -0.52 0.00 0.00 37.83 33.99 3dkg s LYS 1323CO 0.62 -0.91 1.69 0.00 -0.92 0.00 0.00 175.35 175.83 3dkg h ALA 1324N 8.78 0.98 0.00 5.17 0.00 -1.96 -0.69 119.26 131.54 3dkg h ALA 1324Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dkg h ALA 1324Cb 1.10 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dkg h ALA 1324CO 0.84 -0.32 0.00 1.05 0.00 0.00 0.00 179.25 180.83 3dkg h GLU 1325N 0.30 0.00 -0.00 0.00 9.09 -1.94 -2.18 114.58 119.85 3dkg h GLU 1325Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 3dkg h GLU 1325Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3dkg h GLU 1325CO -0.49 0.00 -0.56 -1.33 0.05 0.00 0.00 179.01 176.68 3dkg n MET 1326N -2.40 0.18 -2.31 1.06 2.81 -0.27 -4.92 117.12 111.27 3dkg n MET 1326Ca 0.00 -0.12 -0.36 0.00 -1.81 0.00 0.00 57.70 55.41 3dkg n MET 1326Cb 0.15 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 3dkg n MET 1326CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3dkg s ARG 1327N -2.90 3.64 0.62 0.03 0.52 -0.82 -4.99 118.95 115.05 3dkg s ARG 1327Ca 0.13 1.65 -0.18 0.00 -0.52 0.00 0.00 55.73 56.81 3dkg s ARG 1327Cb 0.17 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 3dkg s ARG 1327CO 0.70 -0.62 1.21 -1.25 0.02 0.00 0.00 175.30 175.36 3dkg s PRO 1328N -2.95 2.79 0.83 3.54 0.04 -1.26 -5.03 135.00 132.96 3dkg s PRO 1328Ca 0.67 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 3dkg s PRO 1328Cb -0.25 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.47 3dkg s PRO 1328CO 0.30 -1.35 1.09 -1.54 0.04 0.00 0.00 177.00 175.54 3dkg s SER 1329N -1.69 4.14 0.34 6.66 1.04 -1.26 -4.87 113.70 118.06 3dkg s SER 1329Ca 0.77 1.45 0.04 0.00 0.48 0.00 0.00 55.95 58.69 3dkg s SER 1329Cb -0.30 -2.17 0.60 0.00 0.10 0.00 0.00 66.02 64.25 3dkg s SER 1329CO 0.36 -2.21 1.88 -0.26 0.98 0.00 0.00 173.24 173.99 3dkg h PHE 1330N -1.25 0.57 -0.46 5.02 0.04 -1.93 -0.81 116.94 118.11 3dkg h PHE 1330Ca -0.47 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.28 3dkg h PHE 1330Cb 1.27 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 3dkg h PHE 1330CO 0.47 0.54 0.24 1.03 -0.60 0.00 0.00 178.31 179.99 3dkg h SER 1331N 0.53 0.36 -0.59 2.17 0.87 -1.92 0.73 113.55 115.70 3dkg h SER 1331Ca 0.12 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3dkg h SER 1331Cb 0.30 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 3dkg h SER 1331CO 0.01 0.26 0.20 -0.08 -0.53 0.00 0.00 176.83 176.69 3dkg h GLU 1332N 0.48 0.90 -0.50 2.24 4.81 -1.83 -2.64 114.58 118.05 3dkg h GLU 1332Ca 0.20 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3dkg h GLU 1332Cb 0.09 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3dkg h GLU 1332CO -0.13 0.80 0.30 -0.07 -0.73 0.00 0.00 179.01 179.18 3dkg h LEU 1333N 0.83 0.49 -0.34 1.64 3.38 -0.66 0.13 115.31 120.78 3dkg h LEU 1333Ca 0.19 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3dkg h LEU 1333Cb 0.25 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3dkg h LEU 1333CO -0.01 0.35 -0.04 0.58 0.09 0.00 0.00 178.44 179.40 3dkg h VAL 1334N 0.60 0.70 0.56 1.22 2.07 -0.79 0.31 116.25 120.92 3dkg h VAL 1334Ca 0.20 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 3dkg h VAL 1334Cb 0.02 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3dkg h VAL 1334CO -0.09 0.01 -0.29 -1.28 0.02 0.00 0.00 177.57 175.93 3dkg h SER 1335N 0.04 -0.71 -0.51 0.57 0.87 -1.07 0.28 113.55 113.02 3dkg h SER 1335Ca 0.16 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3dkg h SER 1335Cb 0.24 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3dkg h SER 1335CO -0.31 -0.48 0.32 0.03 -0.53 0.00 0.00 176.83 175.85 3dkg h ARG 1336N -0.79 0.63 -0.31 2.24 3.08 -0.87 -2.59 114.38 115.78 3dkg h ARG 1336Ca -0.07 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 3dkg h ARG 1336Cb 0.62 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3dkg h ARG 1336CO 0.11 0.41 -0.48 0.82 -1.07 0.00 0.00 179.97 179.75 3dkg h ILE 1337N 0.64 1.28 -0.91 2.04 2.04 -0.92 -2.25 117.51 119.44 3dkg h ILE 1337Ca 0.20 -1.67 0.12 0.00 1.00 0.00 0.00 64.86 64.51 3dkg h ILE 1337Cb -0.03 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 3dkg h ILE 1337CO -0.07 0.55 0.53 0.77 0.00 0.00 0.00 178.15 179.93 3dkg h SER 1338N 0.66 0.74 0.09 1.72 4.64 -0.80 0.12 113.55 120.73 3dkg h SER 1338Ca 0.03 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3dkg h SER 1338Cb 1.08 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3dkg h SER 1338CO 0.11 0.38 -0.04 0.00 -0.87 0.00 0.00 176.83 176.40 3dkg h ALA 1339N 1.52 -0.12 -0.16 5.18 0.00 -1.23 -1.56 119.26 122.90 3dkg h ALA 1339Ca 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3dkg h ALA 1339Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dkg h ALA 1339CO -0.29 -0.46 0.10 0.82 0.00 0.00 0.00 179.25 179.42 3dkg h ILE 1340N -0.33 1.05 -0.63 0.00 2.04 -1.03 -2.57 117.51 116.04 3dkg h ILE 1340Ca -0.01 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 65.86 3dkg h ILE 1340Cb 0.28 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 3dkg h ILE 1340CO 0.02 0.05 0.11 0.15 0.00 0.00 0.00 178.15 178.48 3dkg h PHE 1341N 0.20 0.15 -0.04 1.37 3.57 -0.74 -2.14 116.94 119.31 3dkg h PHE 1341Ca 0.06 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3dkg h PHE 1341Cb -0.01 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3dkg h PHE 1341CO -0.06 -0.08 0.07 0.66 -2.23 0.00 0.00 178.31 176.67 3dkg h SER 1342N 0.22 0.00 1.35 0.41 4.64 -0.86 -2.59 113.55 116.73 3dkg h SER 1342Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3dkg h SER 1342Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3dkg h SER 1342CO -0.46 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.85 3dkg n THR 1343N -3.48 0.49 -3.74 2.95 -2.24 -0.80 -4.86 114.28 102.60 3dkg n THR 1343Ca -0.02 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 3dkg n THR 1343Cb 0.15 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 3dkg n THR 1343CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3dkg s PHE 1344N -3.09 3.48 -0.01 4.78 0.40 -0.98 -5.02 117.98 117.54 3dkg s PHE 1344Ca 0.11 0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.77 3dkg s PHE 1344Cb 0.13 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.87 3dkg s PHE 1344CO 0.57 0.40 0.89 0.44 0.70 0.00 0.00 175.22 178.23 3dkg n ILE 1345N -0.61 0.79 -2.49 0.64 -5.35 -1.26 -5.01 119.36 106.07 3dkg n ILE 1345Ca -0.05 -0.83 -0.05 0.00 -0.27 0.00 0.00 62.75 61.55 3dkg n ILE 1345Cb 0.54 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.99 3dkg n ILE 1345CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dkg n GLY 1346N -0.45 0.49 0.11 3.28 0.00 -1.26 -4.97 105.19 102.39 3dkg n GLY 1346Ca 0.02 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.51 3dkg n GLY 1346CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dkg n GLU 1347N -1.40 3.06 -3.54 1.61 0.28 -1.26 -4.92 120.64 114.47 3dkg n GLU 1347Ca -0.02 -0.29 -0.41 0.00 -0.16 0.00 0.00 57.16 56.28 3dkg n GLU 1347Cb 0.52 -1.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.30 3dkg n GLU 1347CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3dkg s HIS 1348N -1.61 3.30 0.23 -1.84 3.76 -1.26 -5.05 115.29 112.82 3dkg s HIS 1348Ca 0.06 -1.31 -0.29 0.00 -0.15 0.00 0.00 55.06 53.37 3dkg s HIS 1348Cb 0.07 -2.96 -0.09 0.00 1.11 0.00 0.00 32.58 30.71 3dkg s HIS 1348CO 0.31 -0.81 0.91 0.71 -0.85 0.00 0.00 174.74 175.01 3dkg s TYR 1349N 1.50 3.96 -0.28 1.40 1.51 -1.26 -0.57 117.35 123.62 3dkg s TYR 1349Ca 0.03 1.86 -0.10 0.00 -1.01 0.00 0.00 57.07 57.85 3dkg s TYR 1349Cb -0.23 -2.94 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 3dkg s TYR 1349CO 0.04 0.46 0.17 0.08 -1.11 0.00 0.00 175.55 175.19 3dkg s VAL 1350N -1.19 5.16 0.30 0.71 1.01 -0.44 -4.85 120.40 121.10 3dkg s VAL 1350Ca 0.40 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.57 3dkg s VAL 1350Cb -0.25 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3dkg s VAL 1350CO 0.31 0.26 0.26 -1.00 0.00 0.00 0.00 175.10 174.92 3dkg s HIS 1351N 1.74 2.99 0.07 5.22 3.76 -1.26 -4.69 115.29 123.12 3dkg s HIS 1351Ca 0.07 -0.22 -0.23 0.00 -0.15 0.00 0.00 55.06 54.52 3dkg s HIS 1351Cb -0.16 -1.65 -0.06 0.00 1.11 0.00 0.00 32.58 31.82 3dkg s HIS 1351CO 0.10 0.31 0.71 0.08 -0.85 0.00 0.00 174.74 175.09 3dkg s VAL 1352N -2.23 4.66 0.04 -0.90 1.01 -1.26 -4.94 120.40 116.77 3dkg s VAL 1352Ca 0.38 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 3dkg s VAL 1352Cb -0.07 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3dkg s VAL 1352CO 0.26 0.45 1.62 0.21 0.00 0.00 0.00 175.10 177.63 3dkg s ASN 1353N -0.53 6.65 0.33 3.32 3.84 -1.26 -4.91 114.94 122.38 3dkg s ASN 1353Ca 0.35 2.38 0.11 0.00 0.21 0.00 0.00 52.86 55.91 3dkg s ASN 1353Cb -0.21 -2.56 0.90 0.00 -0.55 0.00 0.00 41.25 38.83 3dkg s ASN 1353CO 0.22 -0.87 1.75 0.00 -2.79 0.00 0.00 177.10 175.42 3dkg h ALA 1354N 8.49 1.86 0.00 1.71 0.00 -2.02 -1.37 119.26 127.93 3dkg h ALA 1354Ca -0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dkg h ALA 1354Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3dkg h ALA 1354CO 0.93 -0.29 -0.03 0.25 0.00 0.00 0.00 179.25 180.11 3dkg n THR 1355N -4.79 0.47 1.35 0.00 -2.24 -1.26 -5.32 114.28 102.50 3dkg n THR 1355Ca 0.25 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 3dkg n THR 1355Cb 0.72 -0.54 0.40 0.00 -2.10 0.00 0.00 70.33 68.81 3dkg n THR 1355CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28