#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmx s PHE 1048N 0.00 -0.55 0.00 1.43 5.36 -1.26 -5.18 117.98 117.78 2kmx s PHE 1048Ca 0.00 1.22 -0.03 0.00 -0.96 0.00 0.00 56.93 57.16 2kmx s PHE 1048Cb 0.00 0.23 -0.04 0.00 -0.34 0.00 0.00 43.02 42.87 2kmx s PHE 1048CO 0.00 -0.37 0.20 0.99 -1.46 0.00 0.00 175.22 174.58 2kmx s THR 1049N -0.26 5.41 0.52 0.12 2.01 -1.26 -5.13 115.64 117.05 2kmx s THR 1049Ca -0.04 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 2kmx s THR 1049Cb -0.03 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.93 2kmx s THR 1049CO 0.03 0.31 0.77 -0.32 -0.69 0.00 0.00 174.62 174.72 2kmx s MET 1050N -1.98 2.90 0.09 4.92 1.75 -1.26 -5.06 119.30 120.66 2kmx s MET 1050Ca 0.28 -0.38 -0.24 0.00 -1.25 0.00 0.00 55.69 54.10 2kmx s MET 1050Cb -0.13 -2.45 -0.15 0.00 2.84 0.00 0.00 34.83 34.94 2kmx s MET 1050CO 0.19 -0.51 1.73 0.45 -0.65 0.00 0.00 175.02 176.23 2kmx h HIS 1051N 0.13 -0.09 -3.50 4.11 3.86 -2.00 -3.39 115.15 114.27 2kmx h HIS 1051Ca -0.45 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.08 2kmx h HIS 1051Cb 1.26 0.03 -0.38 0.00 1.06 0.00 0.00 27.41 29.38 2kmx h HIS 1051CO 0.44 -0.05 -0.54 0.20 0.86 0.00 0.00 177.93 178.84 2kmx s GLY 1052N -2.18 2.32 0.23 2.45 0.00 -1.26 -4.75 107.32 104.12 2kmx s GLY 1052Ca -0.13 -3.04 -0.14 0.00 0.00 0.00 0.00 44.72 41.40 2kmx s GLY 1052CO 0.66 1.03 0.63 -0.51 0.00 0.00 0.00 173.10 174.91 2kmx s THR 1053N 0.19 4.78 0.30 0.90 -4.23 -0.06 -4.65 115.64 112.87 2kmx s THR 1053Ca 0.15 0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 61.21 2kmx s THR 1053Cb -0.22 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 69.82 2kmx s THR 1053CO -0.03 0.04 1.31 -2.16 -0.54 0.00 0.00 174.62 173.24 2kmx s PRO 1054N -2.46 4.37 -0.09 3.99 0.04 -1.26 -0.31 135.00 139.27 2kmx s PRO 1054Ca 0.45 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.64 2kmx s PRO 1054Cb -0.13 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.36 2kmx s PRO 1054CO 0.20 -0.20 0.18 0.54 0.04 0.00 0.00 177.00 177.76 2kmx s VAL 1055N -0.87 -0.22 0.28 -0.36 0.11 -0.41 -4.75 120.40 114.18 2kmx s VAL 1055Ca 0.51 0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 59.55 2kmx s VAL 1055Cb -0.39 -0.31 -0.10 0.00 -1.53 0.00 0.00 36.38 34.05 2kmx s VAL 1055CO 0.49 0.12 1.15 0.54 -3.33 0.00 0.00 175.10 174.08 2kmx s VAL 1056N 1.98 3.32 0.00 2.04 0.11 -1.26 -0.64 120.40 125.95 2kmx s VAL 1056Ca -0.01 1.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 2kmx s VAL 1056Cb -0.12 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 2kmx s VAL 1056CO -0.06 0.30 0.00 0.59 -3.33 0.00 0.00 175.10 172.60 2kmx n ASN 1057N 1.21 2.41 -3.73 3.54 3.02 0.20 -4.87 115.26 117.04 2kmx n ASN 1057Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2kmx n ASN 1057Cb 0.44 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.54 2kmx n ASN 1057CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2kmx s GLN 1058N -1.72 0.83 -0.02 3.52 -0.21 -0.70 -5.00 119.66 116.37 2kmx s GLN 1058Ca 0.00 -0.47 0.02 0.00 0.02 0.00 0.00 55.36 54.92 2kmx s GLN 1058Cb 0.00 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.38 2kmx s GLN 1058CO 0.00 -0.27 -0.06 0.14 -2.12 0.00 0.00 175.29 172.98 2kmx s VAL 1059N -2.54 0.51 -0.01 1.09 -7.23 -1.26 -0.69 120.40 110.27 2kmx s VAL 1059Ca -0.05 -0.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2kmx s VAL 1059Cb -0.01 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.47 2kmx s VAL 1059CO -0.03 0.17 0.04 -0.75 -0.31 0.00 0.00 175.10 174.22 2kmx s LYS 1060N 0.26 0.05 0.21 4.82 2.20 -0.08 -5.02 119.74 122.17 2kmx s LYS 1060Ca -0.03 0.04 -0.20 0.00 -0.36 0.00 0.00 55.97 55.42 2kmx s LYS 1060Cb -0.07 0.02 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 2kmx s LYS 1060CO -0.00 -0.01 0.73 0.08 -0.36 0.00 0.00 175.35 175.79 2kmx s VAL 1061N 0.00 4.55 -0.03 4.02 1.01 -1.26 -0.64 120.40 128.05 2kmx s VAL 1061Ca -0.00 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2kmx s VAL 1061Cb -0.00 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 2kmx s VAL 1061CO 0.00 0.27 0.07 -0.11 0.00 0.00 0.00 175.10 175.33 2kmx n LEU 1062N 0.89 0.00 -3.26 3.92 7.94 0.40 -4.86 117.00 122.04 2kmx n LEU 1062Ca -0.03 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.61 2kmx n LEU 1062Cb 0.51 0.07 -0.07 0.00 0.53 0.00 0.00 43.42 44.46 2kmx n LEU 1062CO 0.43 0.07 -0.02 0.41 -1.11 0.00 0.00 177.39 177.18 2kmx n THR 1063N -1.95 1.63 -2.52 1.96 -1.04 -0.82 -4.97 114.28 106.57 2kmx n THR 1063Ca -0.05 -4.98 -0.42 0.00 -2.04 0.00 0.00 64.05 56.56 2kmx n THR 1063Cb 0.41 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 2kmx n THR 1063CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2kmx s GLU 1064N -2.39 4.48 0.00 -2.82 2.12 -1.26 -3.76 118.70 115.07 2kmx s GLU 1064Ca 0.41 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2kmx s GLU 1064Cb 0.20 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2kmx s GLU 1064CO -0.06 -0.17 0.00 0.43 -0.54 0.00 0.00 175.26 174.92 2kmx n SER 1065N 3.83 0.00 0.08 -1.70 7.64 -1.26 -4.67 113.62 117.54 2kmx n SER 1065Ca 0.08 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.08 2kmx n SER 1065Cb 0.48 -0.51 0.17 0.00 -1.01 0.00 0.00 64.21 63.34 2kmx n SER 1065CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2kmx h ASN 1066N 0.00 0.00 0.00 6.43 -0.26 -2.01 -3.46 115.58 116.27 2kmx h ASN 1066Ca 0.00 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 2kmx h ASN 1066Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2kmx h ASN 1066CO 0.00 0.07 0.00 -1.14 -1.06 0.00 0.00 177.43 175.30 2kmx n ARG 1067N -2.28 0.00 -4.47 0.81 3.00 -1.25 -5.14 116.66 107.33 2kmx n ARG 1067Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.54 2kmx n ARG 1067Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.80 2kmx n ARG 1067CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kmx s ILE 1068N 0.57 3.85 0.35 5.15 1.01 -1.25 -5.07 121.20 125.81 2kmx s ILE 1068Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.31 2kmx s ILE 1068Cb 0.00 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 2kmx s ILE 1068CO 0.00 0.53 0.51 -0.44 0.00 0.00 0.00 174.94 175.54 2kmx s SER 1069N -0.02 5.99 0.19 3.58 0.01 -1.26 -4.55 113.70 117.63 2kmx s SER 1069Ca 0.01 -0.02 -0.23 0.00 1.31 0.00 0.00 55.95 57.01 2kmx s SER 1069Cb -0.13 -1.41 0.09 0.00 0.21 0.00 0.00 66.02 64.78 2kmx s SER 1069CO 0.03 -0.45 1.56 -0.74 0.41 0.00 0.00 173.24 174.05 2kmx h HIS 1070N 0.80 -1.26 -0.06 2.43 2.76 -1.97 -1.08 115.15 116.77 2kmx h HIS 1070Ca -0.47 0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 57.75 2kmx h HIS 1070Cb 1.25 0.66 -0.01 0.00 1.55 0.00 0.00 27.41 30.86 2kmx h HIS 1070CO 0.44 -0.41 -0.20 0.45 -1.30 0.00 0.00 177.93 176.91 2kmx h HIS 1071N -0.13 0.10 0.09 5.26 3.86 -1.99 -1.79 115.15 120.54 2kmx h HIS 1071Ca 0.23 -0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 59.15 2kmx h HIS 1071Cb 0.55 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 29.01 2kmx h HIS 1071CO -0.79 0.30 -1.16 0.87 0.86 0.00 0.00 177.93 178.01 2kmx h LYS 1072N 0.09 0.52 0.13 2.45 1.57 -1.68 -2.52 116.57 117.14 2kmx h LYS 1072Ca 0.02 -0.68 0.01 0.00 -1.87 0.00 0.00 60.65 58.12 2kmx h LYS 1072Cb 0.42 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2kmx h LYS 1072CO 0.03 1.29 -0.14 0.82 -0.57 0.00 0.00 179.45 180.87 2kmx h ILE 1073N 0.24 0.68 0.00 1.86 2.04 -0.90 -1.08 117.51 120.35 2kmx h ILE 1073Ca -0.15 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2kmx h ILE 1073Cb 1.83 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2kmx h ILE 1073CO 0.21 0.00 -0.36 0.17 0.00 0.00 0.00 178.15 178.18 2kmx h LEU 1074N -0.31 0.00 -0.08 1.44 8.10 -1.43 -2.60 115.31 120.44 2kmx h LEU 1074Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.96 2kmx h LEU 1074Cb 0.30 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2kmx h LEU 1074CO -0.05 0.36 -0.09 0.00 -4.11 0.00 0.00 178.44 174.55 2kmx h ALA 1075N 1.64 0.11 -0.10 0.17 0.00 -1.23 -1.61 119.26 118.25 2kmx h ALA 1075Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2kmx h ALA 1075Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kmx h ALA 1075CO 0.05 -0.05 -0.45 -0.84 0.00 0.00 0.00 179.25 177.96 2kmx h ILE 1076N -0.24 1.33 -0.14 0.00 3.07 -1.07 0.77 117.51 121.22 2kmx h ILE 1076Ca 0.01 -1.62 -0.08 0.00 1.55 0.00 0.00 64.86 64.72 2kmx h ILE 1076Cb 0.62 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2kmx h ILE 1076CO 0.02 0.48 -0.22 0.58 -1.05 0.00 0.00 178.15 177.96 2kmx h VAL 1077N 0.21 1.36 -0.27 0.16 2.07 -1.57 -2.83 116.25 115.38 2kmx h VAL 1077Ca 0.01 -1.46 -0.13 0.00 0.82 0.00 0.00 66.70 65.95 2kmx h VAL 1077Cb 0.88 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2kmx h VAL 1077CO 0.07 0.43 -0.37 1.23 0.02 0.00 0.00 177.57 178.95 2kmx h GLY 1078N 0.01 0.66 1.62 2.17 0.00 -1.06 -1.42 103.07 105.05 2kmx h GLY 1078Ca 0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 2kmx h GLY 1078CO 0.05 0.58 -0.40 -0.91 0.00 0.00 0.00 176.54 175.87 2kmx h THR 1079N 0.51 1.30 -0.41 4.70 1.35 -0.96 -0.19 112.91 119.20 2kmx h THR 1079Ca 0.05 -1.53 -0.04 0.00 -0.55 0.00 0.00 66.41 64.33 2kmx h THR 1079Cb 0.88 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 2kmx h THR 1079CO 0.08 0.47 0.10 0.00 -0.25 0.00 0.00 175.52 175.92 2kmx h ALA 1080N 1.22 0.55 0.00 6.62 0.00 -1.31 -3.06 119.26 123.28 2kmx h ALA 1080Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kmx h ALA 1080Cb 0.85 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kmx h ALA 1080CO 0.07 0.23 -0.11 0.93 0.00 0.00 0.00 179.25 180.37 2kmx h GLU 1081N 0.53 0.00 -0.84 0.00 4.39 -1.07 -3.01 114.58 114.59 2kmx h GLU 1081Ca 0.13 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2kmx h GLU 1081Cb 0.32 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 2kmx h GLU 1081CO 0.00 0.11 0.50 1.03 -1.16 0.00 0.00 179.01 179.49 2kmx h SER 1082N 0.00 0.74 1.64 1.42 0.87 -0.92 -1.99 113.55 115.31 2kmx h SER 1082Ca -0.00 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2kmx h SER 1082Cb 0.64 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2kmx h SER 1082CO 0.01 0.44 -0.36 0.78 -0.53 0.00 0.00 176.83 177.17 2kmx h ASN 1083N 0.86 0.00 -3.32 6.23 4.21 -1.62 -3.48 115.58 118.46 2kmx h ASN 1083Ca 0.39 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 57.42 2kmx h ASN 1083Cb 0.30 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.53 2kmx h ASN 1083CO -0.22 0.31 0.02 -0.44 -1.29 0.00 0.00 177.43 175.81 2kmx s SER 1084N -6.32 6.20 -0.10 5.81 0.01 -0.75 -5.03 113.70 113.51 2kmx s SER 1084Ca 0.05 0.75 0.14 0.00 1.31 0.00 0.00 55.95 58.20 2kmx s SER 1084Cb 0.07 -2.11 0.22 0.00 0.21 0.00 0.00 66.02 64.41 2kmx s SER 1084CO 0.72 -0.54 1.10 -0.62 0.41 0.00 0.00 173.24 174.31 2kmx n GLU 1085N -2.15 1.30 -2.27 12.44 -0.58 -1.26 -4.94 120.64 123.18 2kmx n GLU 1085Ca -0.01 -2.23 -0.39 0.00 -0.42 0.00 0.00 57.16 54.11 2kmx n GLU 1085Cb 0.56 -1.31 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 2kmx n GLU 1085CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kmx s HIS 1086N -2.28 3.08 0.04 -0.32 3.76 -1.26 -5.00 115.29 113.31 2kmx s HIS 1086Ca 0.24 1.54 -0.20 0.00 -0.15 0.00 0.00 55.06 56.49 2kmx s HIS 1086Cb 0.21 -3.44 -0.14 0.00 1.11 0.00 0.00 32.58 30.32 2kmx s HIS 1086CO 0.02 -1.39 1.32 -1.00 -0.85 0.00 0.00 174.74 172.84 2kmx h PRO 1087N 2.79 0.41 -0.15 8.40 0.13 -2.02 -2.99 132.00 138.57 2kmx h PRO 1087Ca -0.49 -0.24 -0.14 0.00 -0.87 0.00 0.00 66.00 64.27 2kmx h PRO 1087Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kmx h PRO 1087CO 0.63 0.82 -0.49 1.25 -0.23 0.00 0.00 178.00 179.98 2kmx h LEU 1088N 0.03 0.42 -2.79 1.56 6.46 -1.97 -2.94 115.31 116.08 2kmx h LEU 1088Ca 0.02 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2kmx h LEU 1088Cb 0.77 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2kmx h LEU 1088CO 0.05 0.85 -0.00 1.23 -0.62 0.00 0.00 178.44 179.94 2kmx h GLY 1089N 1.21 0.00 1.15 3.75 0.00 -1.95 -2.93 103.07 104.30 2kmx h GLY 1089Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2kmx h GLY 1089CO 0.08 0.00 0.54 -0.91 0.00 0.00 0.00 176.54 176.25 2kmx h THR 1090N 0.00 1.18 -0.34 4.70 1.35 -1.37 -0.01 112.91 118.42 2kmx h THR 1090Ca -0.00 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.39 2kmx h THR 1090Cb 0.06 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 2kmx h THR 1090CO 0.00 0.19 -0.23 0.00 -0.25 0.00 0.00 175.52 175.24 2kmx h ALA 1091N 1.50 0.97 -0.21 6.62 0.00 -1.73 -2.49 119.26 123.92 2kmx h ALA 1091Ca 0.31 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2kmx h ALA 1091Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2kmx h ALA 1091CO -0.08 0.60 -0.51 0.82 0.00 0.00 0.00 179.25 180.09 2kmx h ILE 1092N 0.58 1.31 -0.10 0.00 2.04 -1.50 -0.95 117.51 118.89 2kmx h ILE 1092Ca 0.08 -1.73 0.04 0.00 1.00 0.00 0.00 64.86 64.25 2kmx h ILE 1092Cb 0.70 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2kmx h ILE 1092CO 0.05 0.54 -0.14 0.74 0.00 0.00 0.00 178.15 179.35 2kmx h THR 1093N 0.47 0.62 0.11 -0.27 2.02 -0.84 -0.93 112.91 114.09 2kmx h THR 1093Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2kmx h THR 1093Cb 1.05 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 2kmx h THR 1093CO 0.10 0.00 -0.30 0.50 0.37 0.00 0.00 175.52 176.19 2kmx h LYS 1094N -0.19 -0.50 -0.49 6.66 3.64 -1.40 -2.69 116.57 121.61 2kmx h LYS 1094Ca 0.08 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2kmx h LYS 1094Cb 0.31 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2kmx h LYS 1094CO -0.22 -0.33 0.26 -0.92 -2.27 0.00 0.00 179.45 175.97 2kmx h TYR 1095N -0.52 0.47 0.28 1.91 3.20 -0.67 -0.30 116.97 121.34 2kmx h TYR 1095Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2kmx h TYR 1095Cb 0.55 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2kmx h TYR 1095CO -0.28 0.24 -0.13 0.00 -1.64 0.00 0.00 178.16 176.35 2kmx h LYS 1097N -0.72 0.72 -0.37 0.00 3.11 -1.23 0.38 116.57 118.46 2kmx h LYS 1097Ca -0.04 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.71 2kmx h LYS 1097Cb 0.49 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 2kmx h LYS 1097CO 0.06 0.47 0.05 0.37 -2.81 0.00 0.00 179.45 177.60 2kmx h GLN 1098N 0.74 0.61 -0.49 1.90 4.15 -1.10 -0.90 115.11 120.02 2kmx h GLN 1098Ca 0.36 -0.17 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 2kmx h GLN 1098Cb 0.31 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2kmx h GLN 1098CO -0.23 0.69 -0.13 1.49 -1.93 0.00 0.00 178.83 178.71 2kmx h GLU 1099N 0.45 0.92 0.00 1.69 4.57 -0.07 -2.26 114.58 119.87 2kmx h GLU 1099Ca 0.11 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2kmx h GLU 1099Cb 0.38 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2kmx h GLU 1099CO 0.01 0.99 0.00 -0.07 -1.18 0.00 0.00 179.01 178.76 2kmx h LEU 1100N 0.81 0.00 0.44 1.64 3.38 -1.02 -3.48 115.31 117.09 2kmx h LEU 1100Ca 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 2kmx h LEU 1100Cb 0.67 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 2kmx h LEU 1100CO 0.05 0.00 -0.17 -0.67 0.09 0.00 0.00 178.44 177.74 2kmx n ASP 1101N -3.07 -5.12 -4.15 -0.43 2.03 -0.40 -5.01 116.55 100.40 2kmx n ASP 1101Ca 0.02 0.23 -0.19 0.00 0.52 0.00 0.00 54.79 55.37 2kmx n ASP 1101Cb 0.40 -3.44 -0.13 0.00 -0.72 0.00 0.00 41.12 37.23 2kmx n ASP 1101CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kmx s THR 1102N -2.01 1.08 -0.81 5.18 -1.32 -0.84 -4.97 115.64 111.95 2kmx s THR 1102Ca 0.00 -1.08 0.25 0.00 -1.21 0.00 0.00 61.69 59.64 2kmx s THR 1102Cb 0.00 -1.01 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 2kmx s THR 1102CO 0.00 -0.08 1.42 1.21 -2.21 0.00 0.00 174.62 174.96 2kmx n GLU 1103N 1.71 0.16 0.00 7.08 2.13 -1.26 -4.60 120.64 125.86 2kmx n GLU 1103Ca -0.19 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.68 2kmx n GLU 1103Cb 0.55 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.65 2kmx n GLU 1103CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2kmx n THR 1104N -1.84 0.41 -4.12 6.31 -2.24 -1.26 -4.86 114.28 106.68 2kmx n THR 1104Ca 0.04 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 2kmx n THR 1104Cb 0.39 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 2kmx n THR 1104CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kmx s LEU 1105N 0.00 3.79 0.05 3.22 2.34 -1.26 -5.04 118.68 121.78 2kmx s LEU 1105Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.26 2kmx s LEU 1105Cb 0.00 -2.29 0.00 0.00 -0.56 0.00 0.00 46.19 43.34 2kmx s LEU 1105CO 0.00 0.24 0.00 0.61 -1.06 0.00 0.00 176.35 176.14 2kmx n GLY 1106N 1.00 -3.02 2.01 -3.48 0.00 -1.26 -4.90 105.19 95.53 2kmx n GLY 1106Ca -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2kmx n GLY 1106CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kmx n THR 1107N -1.30 0.00 -4.11 2.61 -1.04 -1.15 -4.98 114.28 104.32 2kmx n THR 1107Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2kmx n THR 1107Cb 0.02 -0.31 -0.14 0.00 -1.82 0.00 0.00 70.33 68.08 2kmx n THR 1107CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kmx s ILE 1109N -0.30 0.00 -0.38 0.00 -1.09 -1.25 -1.47 121.20 116.71 2kmx s ILE 1109Ca -0.00 -0.02 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 2kmx s ILE 1109Cb -0.03 -0.11 0.08 0.00 -1.58 0.00 0.00 42.46 40.82 2kmx s ILE 1109CO -0.00 -0.01 0.16 -0.62 -1.23 0.00 0.00 174.94 173.24 2kmx s ASP 1110N 0.01 5.27 -0.03 3.58 2.15 -0.92 -4.93 116.67 121.80 2kmx s ASP 1110Ca -0.00 -1.67 -0.21 0.00 0.43 0.00 0.00 52.55 51.10 2kmx s ASP 1110Cb -0.01 -1.84 -0.05 0.00 -0.30 0.00 0.00 42.92 40.72 2kmx s ASP 1110CO 0.00 -0.46 0.61 0.12 -0.17 0.00 0.00 175.17 175.27 2kmx s PHE 1111N 1.25 3.64 -0.04 -5.34 5.36 -1.26 -3.17 117.98 118.42 2kmx s PHE 1111Ca 0.03 1.18 -0.02 0.00 -0.96 0.00 0.00 56.93 57.17 2kmx s PHE 1111Cb -0.22 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.84 2kmx s PHE 1111CO -0.02 0.26 0.05 -0.65 -1.46 0.00 0.00 175.22 173.41 2kmx s GLN 1112N 0.15 0.02 -0.10 10.12 1.11 -0.72 -5.00 119.66 125.25 2kmx s GLN 1112Ca 0.32 0.33 -0.04 0.00 0.01 0.00 0.00 55.36 55.98 2kmx s GLN 1112Cb -0.18 -0.56 -0.04 0.00 -1.01 0.00 0.00 33.01 31.23 2kmx s GLN 1112CO 0.17 -0.31 0.05 0.08 0.01 0.00 0.00 175.29 175.29 2kmx s VAL 1113N 2.06 4.76 -0.21 1.09 1.01 -1.26 -1.50 120.40 126.34 2kmx s VAL 1113Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2kmx s VAL 1113Cb -0.12 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.28 2kmx s VAL 1113CO -0.03 0.60 -0.06 -0.69 0.00 0.00 0.00 175.10 174.92 2kmx s VAL 1114N -0.95 1.44 0.45 2.92 1.01 -0.64 -5.03 120.40 119.59 2kmx s VAL 1114Ca 0.14 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 2kmx s VAL 1114Cb -0.12 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.53 2kmx s VAL 1114CO 0.03 -0.01 1.38 -2.84 0.00 0.00 0.00 175.10 173.67 2kmx s PRO 1115N 1.46 3.73 -0.72 2.72 0.02 -1.26 -2.05 135.00 138.89 2kmx s PRO 1115Ca -0.03 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.31 2kmx s PRO 1115Cb -0.18 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.69 2kmx s PRO 1115CO -0.07 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 2kmx n GLY 1116N 0.61 0.81 0.00 0.52 0.00 -1.26 -4.82 105.19 101.05 2kmx n GLY 1116Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kmx n GLY 1116CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmx n GLY 1118N 1.53 -0.68 3.06 0.00 0.00 -0.87 -2.21 105.19 106.02 2kmx n GLY 1118Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 2kmx n GLY 1118CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kmx s ILE 1119N -3.86 0.68 0.02 -0.61 -1.16 -0.62 -1.63 121.20 114.01 2kmx s ILE 1119Ca 0.00 -0.85 0.03 0.00 -0.51 0.00 0.00 60.65 59.32 2kmx s ILE 1119Cb 0.00 -0.66 -0.01 0.00 0.61 0.00 0.00 42.46 42.39 2kmx s ILE 1119CO 0.00 -0.15 -0.09 -0.55 -2.81 0.00 0.00 174.94 171.35 2kmx s SER 1120N -1.10 0.98 0.30 4.50 0.15 -0.56 -1.60 113.70 116.38 2kmx s SER 1120Ca -0.04 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 2kmx s SER 1120Cb -0.07 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2kmx s SER 1120CO 0.01 -0.01 0.68 0.00 1.20 0.00 0.00 173.24 175.11 2kmx s LYS 1122N -3.53 3.26 -0.04 0.00 -0.14 -1.19 -1.29 119.74 116.80 2kmx s LYS 1122Ca 0.15 -0.69 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 2kmx s LYS 1122Cb -0.05 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 2kmx s LYS 1122CO 0.09 -0.17 -0.13 0.54 -0.76 0.00 0.00 175.35 174.92 2kmx s VAL 1123N 1.33 1.14 0.14 3.17 0.11 0.02 -2.16 120.40 124.14 2kmx s VAL 1123Ca 0.04 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 2kmx s VAL 1123Cb -0.14 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2kmx s VAL 1123CO -0.06 0.34 -0.06 0.28 -3.33 0.00 0.00 175.10 172.28 2kmx s THR 1124N 0.21 0.88 0.00 5.04 -1.32 -0.54 -0.83 115.64 119.07 2kmx s THR 1124Ca -0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 2kmx s THR 1124Cb -0.11 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 2kmx s THR 1124CO 0.02 -0.71 0.00 -3.20 -2.21 0.00 0.00 174.62 168.52 2kmx n ASN 1125N -0.17 0.00 -0.32 8.08 2.85 -1.26 -1.86 115.26 122.59 2kmx n ASN 1125Ca -0.10 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.54 2kmx n ASN 1125Cb 0.61 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.98 2kmx n ASN 1125CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2kmx h ILE 1126N 0.00 0.18 -0.67 -1.44 3.07 -1.88 -1.32 117.51 115.45 2kmx h ILE 1126Ca 0.00 -0.04 -0.47 0.00 1.55 0.00 0.00 64.86 65.89 2kmx h ILE 1126Cb 0.00 0.05 -0.42 0.00 -0.27 0.00 0.00 36.82 36.17 2kmx h ILE 1126CO 0.00 0.02 -0.89 -0.62 -1.05 0.00 0.00 178.15 175.61 2kmx n GLU 1127N -5.30 3.15 0.00 0.16 -0.58 -1.24 -4.90 120.64 111.93 2kmx n GLU 1127Ca 0.25 -4.01 0.00 0.00 -0.42 0.00 0.00 57.16 52.98 2kmx n GLU 1127Cb 0.81 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2kmx n GLU 1127CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kmx n GLY 1128N -0.68 0.10 0.07 0.62 0.00 -0.50 -2.15 105.19 102.65 2kmx n GLY 1128Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2kmx n GLY 1128CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kmx n LEU 1129N 0.02 0.71 -0.11 0.99 -0.00 -1.26 -4.63 117.00 112.71 2kmx n LEU 1129Ca 0.00 0.19 -0.20 0.00 -0.00 0.00 0.00 56.01 56.01 2kmx n LEU 1129Cb 0.03 -0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 43.25 2kmx n LEU 1129CO 0.00 -0.07 -1.25 -0.11 -0.00 0.00 0.00 177.39 175.96 2kmx n LEU 1130N -2.27 2.35 -4.21 1.47 -0.00 -0.91 -4.97 117.00 108.45 2kmx n LEU 1130Ca 0.02 0.07 -0.29 0.00 -0.00 0.00 0.00 56.01 55.81 2kmx n LEU 1130Cb 0.48 -0.72 -0.16 0.00 -0.00 0.00 0.00 43.42 43.02 2kmx n LEU 1130CO 0.39 0.68 -0.54 -2.28 -0.00 0.00 0.00 177.39 175.65 2kmx s HIS 1131N -2.43 2.11 0.44 1.96 2.46 -1.26 -4.97 115.29 113.60 2kmx s HIS 1131Ca -0.31 -0.61 0.06 0.00 0.47 0.00 0.00 55.06 54.68 2kmx s HIS 1131Cb 0.10 -1.39 -0.05 0.00 -0.13 0.00 0.00 32.58 31.10 2kmx s HIS 1131CO 0.45 -0.19 0.10 0.15 -2.47 0.00 0.00 174.74 172.79 2kmx s LYS 1132N -0.10 2.12 0.25 2.88 1.02 -1.26 -4.60 119.74 120.05 2kmx s LYS 1132Ca -0.03 -2.05 -0.05 0.00 0.02 0.00 0.00 55.97 53.86 2kmx s LYS 1132Cb -0.12 -1.79 0.27 0.00 -0.52 0.00 0.00 37.83 35.67 2kmx s LYS 1132CO 0.03 -0.16 1.87 -2.95 -0.92 0.00 0.00 175.35 173.22 2kmx h ASN 1133N 1.50 1.07 -3.72 2.83 -1.07 -1.94 -3.44 115.58 110.81 2kmx h ASN 1133Ca -0.43 -0.09 0.22 0.00 0.07 0.00 0.00 56.30 56.06 2kmx h ASN 1133Cb 1.26 -0.27 -0.12 0.00 -2.07 0.00 0.00 38.32 37.12 2kmx h ASN 1133CO 0.74 0.86 -1.18 0.59 0.07 0.00 0.00 177.43 178.51 2kmx n ASN 1134N -4.34 -8.18 -1.18 6.14 3.02 -1.26 -4.99 115.26 104.47 2kmx n ASN 1134Ca 0.09 1.65 0.00 0.00 -0.03 0.00 0.00 54.58 56.29 2kmx n ASN 1134Cb 0.10 -5.09 0.00 0.00 -0.61 0.00 0.00 39.78 34.18 2kmx n ASN 1134CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2kmx n TRP 1135N -3.70 0.00 -0.24 3.10 5.03 -1.26 -4.90 117.44 115.47 2kmx n TRP 1135Ca -0.06 0.00 0.29 0.00 3.03 0.00 0.00 57.50 60.76 2kmx n TRP 1135Cb 0.62 0.00 0.70 0.00 -1.03 0.00 0.00 31.31 31.59 2kmx n TRP 1135CO 0.00 0.00 0.00 -2.95 -0.03 0.00 0.00 177.69 174.71 2kmx h ASN 1136N 0.00 0.07 -4.48 -0.99 7.08 -1.99 -3.38 115.58 111.89 2kmx h ASN 1136Ca 0.00 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 2kmx h ASN 1136Cb 0.00 -0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2kmx h ASN 1136CO 0.00 0.02 -0.73 -0.38 -2.08 0.00 0.00 177.43 174.26 2kmx n ILE 1137N -4.29-10.06 -0.33 6.14 5.41 -1.26 -4.71 119.36 110.25 2kmx n ILE 1137Ca 0.21 2.41 0.11 0.00 1.00 0.00 0.00 62.75 66.48 2kmx n ILE 1137Cb 1.02 -4.83 0.31 0.00 -0.71 0.00 0.00 39.64 35.44 2kmx n ILE 1137CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2kmx h GLU 1138N 4.22 0.80 0.00 0.38 4.39 -2.03 -2.15 114.58 120.19 2kmx h GLU 1138Ca 0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2kmx h GLU 1138Cb 0.00 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2kmx h GLU 1138CO 0.00 0.53 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.78 2kmx h ASP 1139N 0.82 0.00 -4.37 1.42 5.19 -2.01 -3.45 116.42 114.02 2kmx h ASP 1139Ca 0.51 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.43 2kmx h ASP 1139Cb 0.70 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.29 2kmx h ASP 1139CO -0.28 0.15 0.38 0.21 -3.12 0.00 0.00 179.24 176.58 2kmx s ASN 1140N -6.19 5.26 -0.08 6.45 3.84 -0.81 -5.11 114.94 118.30 2kmx s ASN 1140Ca -0.02 0.98 -0.03 0.00 0.21 0.00 0.00 52.86 54.00 2kmx s ASN 1140Cb 0.12 -1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 39.05 2kmx s ASN 1140CO 0.60 -1.43 0.04 0.20 -2.79 0.00 0.00 177.10 173.73 2kmx s ASN 1141N -4.40 5.54 0.06 -4.21 0.01 -1.26 -5.02 114.94 105.65 2kmx s ASN 1141Ca 0.58 0.21 0.04 0.00 -0.71 0.00 0.00 52.86 52.99 2kmx s ASN 1141Cb -0.11 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 2kmx s ASN 1141CO 0.50 0.37 -0.12 0.27 -1.51 0.00 0.00 177.10 176.61 2kmx s ILE 1142N -0.96 0.93 0.01 0.60 -4.36 -1.26 -5.16 121.20 111.01 2kmx s ILE 1142Ca 0.15 -1.23 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 2kmx s ILE 1142Cb -0.12 -0.92 -0.01 0.00 1.25 0.00 0.00 42.46 42.66 2kmx s ILE 1142CO 0.04 -0.27 -0.02 -0.54 0.24 0.00 0.00 174.94 174.39 2kmx s LYS 1143N -1.68 0.18 0.38 0.37 1.02 -1.26 -5.09 119.74 113.66 2kmx s LYS 1143Ca -0.04 -0.28 0.21 0.00 0.02 0.00 0.00 55.97 55.87 2kmx s LYS 1143Cb -0.10 -0.02 0.57 0.00 -0.52 0.00 0.00 37.83 37.77 2kmx s LYS 1143CO 0.02 -0.00 1.68 -2.95 -0.92 0.00 0.00 175.35 173.17 2kmx h ASN 1144N 5.51 0.00 -0.09 2.83 -1.07 -1.99 -2.96 115.58 117.81 2kmx h ASN 1144Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2kmx h ASN 1144Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2kmx h ASN 1144CO 0.47 0.31 0.00 0.00 0.07 0.00 0.00 177.43 178.27 2kmx n ALA 1145N -2.22 2.56 -1.40 4.14 0.00 -1.26 -1.06 120.51 121.28 2kmx n ALA 1145Ca 0.01 -0.42 0.18 0.00 0.00 0.00 0.00 53.44 53.21 2kmx n ALA 1145Cb 0.54 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 2kmx n ALA 1145CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kmx n SER 1146N 0.03 -8.40 -4.73 0.00 7.64 -1.12 -4.71 113.62 102.32 2kmx n SER 1146Ca 0.17 0.93 -0.40 0.00 1.01 0.00 0.00 58.87 60.58 2kmx n SER 1146Cb 0.28 -4.48 -0.05 0.00 -1.01 0.00 0.00 64.21 58.96 2kmx n SER 1146CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kmx s LEU 1147N -7.14 4.39 -0.09 -3.43 2.01 -1.26 -5.01 118.68 108.14 2kmx s LEU 1147Ca 0.00 1.38 -0.07 0.00 0.01 0.00 0.00 54.13 55.45 2kmx s LEU 1147Cb 0.00 -3.22 0.03 0.00 0.01 0.00 0.00 46.19 43.01 2kmx s LEU 1147CO 0.00 -0.07 0.24 0.54 1.01 0.00 0.00 176.35 178.07 2kmx s VAL 1148N 0.38 -0.01 0.00 -1.59 0.11 -1.26 -4.92 120.40 113.11 2kmx s VAL 1148Ca 0.40 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2kmx s VAL 1148Cb -0.20 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2kmx s VAL 1148CO 0.22 0.02 0.44 0.00 -3.33 0.00 0.00 175.10 172.44 2kmx n GLN 1149N 3.31 0.32 0.00 1.54 6.02 -1.26 -4.96 117.38 122.35 2kmx n GLN 1149Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 2kmx n GLN 1149Cb 0.57 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 31.24 2kmx n GLN 1149CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2kmx n ILE 1150N -0.06 0.00 -3.48 5.09 0.13 -1.26 -5.13 119.36 114.64 2kmx n ILE 1150Ca 0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.47 2kmx n ILE 1150Cb 0.38 -0.04 -0.13 0.00 -0.84 0.00 0.00 39.64 39.01 2kmx n ILE 1150CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2kmx s ASP 1151N -2.00 1.41 0.00 9.51 2.15 -1.26 -5.05 116.67 121.44 2kmx s ASP 1151Ca 0.00 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2kmx s ASP 1151Cb 0.00 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2kmx s ASP 1151CO 0.00 -0.33 1.54 0.00 -0.17 0.00 0.00 175.17 176.21 2kmx n ALA 1152N 5.32 3.37 0.08 3.66 0.00 -1.26 -4.51 120.51 127.17 2kmx n ALA 1152Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 2kmx n ALA 1152Cb 0.49 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 2kmx n ALA 1152CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kmx h SER 1153N 1.15 0.16 -3.32 0.00 0.87 -1.96 -3.46 113.55 106.98 2kmx h SER 1153Ca 0.00 -0.15 -0.43 0.00 -1.23 0.00 0.00 61.79 59.98 2kmx h SER 1153Cb 0.87 -0.05 -0.36 0.00 -0.44 0.00 0.00 62.40 62.41 2kmx h SER 1153CO 0.00 1.03 -0.77 0.21 -0.53 0.00 0.00 176.83 176.77 2kmx s ASN 1154N -6.87 1.39 0.13 6.23 2.47 -1.26 -5.15 114.94 111.88 2kmx s ASN 1154Ca -0.01 -0.12 0.03 0.00 0.42 0.00 0.00 52.86 53.18 2kmx s ASN 1154Cb 0.10 -0.47 -0.04 0.00 -1.45 0.00 0.00 41.25 39.38 2kmx s ASN 1154CO 0.83 -0.14 -0.08 -1.61 -3.72 0.00 0.00 177.10 172.38 2kmx s GLU 1155N 1.56 0.99 1.52 0.43 2.02 -1.26 -4.68 118.70 119.27 2kmx s GLU 1155Ca -0.01 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.56 2kmx s GLU 1155Cb -0.13 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.64 2kmx s GLU 1155CO -0.04 0.03 0.00 1.04 0.02 0.00 0.00 175.26 176.31 2kmx n GLN 1156N -0.15 -0.22 -0.52 1.61 3.00 -0.22 -4.95 117.38 115.94 2kmx n GLN 1156Ca -0.11 0.14 0.07 0.00 -0.01 0.00 0.00 57.00 57.10 2kmx n GLN 1156Cb 0.61 -0.27 -0.02 0.00 0.00 0.00 0.00 30.24 30.56 2kmx n GLN 1156CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2kmx n SER 1157N -3.29 -6.45 -4.35 1.08 2.88 -1.26 -4.35 113.62 97.88 2kmx n SER 1157Ca 0.00 0.56 -0.35 0.00 -1.33 0.00 0.00 58.87 57.74 2kmx n SER 1157Cb 0.05 -1.56 -0.04 0.00 -0.75 0.00 0.00 64.21 61.91 2kmx n SER 1157CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2kmx n SER 1158N -3.19 3.48 -4.68 -3.46 3.41 -1.26 -4.88 113.62 103.05 2kmx n SER 1158Ca 0.00 -2.76 -0.46 0.00 -0.26 0.00 0.00 58.87 55.40 2kmx n SER 1158Cb 0.24 -1.63 -0.04 0.00 -0.26 0.00 0.00 64.21 62.52 2kmx n SER 1158CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2kmx n THR 1159N 6.96 0.16 -2.69 6.66 5.66 -1.26 -4.93 114.28 124.85 2kmx n THR 1159Ca 0.47 -0.03 -0.07 0.00 -3.05 0.00 0.00 64.05 61.37 2kmx n THR 1159Cb 0.45 -1.72 0.06 0.00 -1.55 0.00 0.00 70.33 67.56 2kmx n THR 1159CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kmx n SER 1160N 4.39 0.62 -3.74 1.09 7.64 -1.26 -4.99 113.62 117.37 2kmx n SER 1160Ca 0.18 -2.56 -0.30 0.00 1.01 0.00 0.00 58.87 57.20 2kmx n SER 1160Cb 0.31 -0.14 0.24 0.00 -1.01 0.00 0.00 64.21 63.60 2kmx n SER 1160CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kmx s SER 1161N -2.71 1.52 0.45 6.43 1.04 -1.26 -4.61 113.70 114.56 2kmx s SER 1161Ca 0.25 0.33 0.20 0.00 0.48 0.00 0.00 55.95 57.21 2kmx s SER 1161Cb 0.43 -0.36 1.18 0.00 0.10 0.00 0.00 66.02 67.36 2kmx s SER 1161CO -0.00 -3.73 1.89 0.28 0.98 0.00 0.00 173.24 172.66 2kmx h SER 1162N -2.32 0.29 1.11 7.02 0.02 -1.99 0.87 113.55 118.55 2kmx h SER 1162Ca -0.43 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2kmx h SER 1162Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2kmx h SER 1162CO 0.29 0.13 0.00 1.15 -1.14 0.00 0.00 176.83 177.26 2kmx n MET 1163N -4.45 0.17 -0.09 3.45 0.00 -1.26 -3.29 117.12 111.65 2kmx n MET 1163Ca 0.17 0.23 -0.10 0.00 0.00 0.00 0.00 57.70 58.00 2kmx n MET 1163Cb 0.68 -1.73 -0.15 0.00 0.00 0.00 0.00 33.22 32.03 2kmx n MET 1163CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2kmx n ILE 1164N -2.03 1.29 0.42 3.17 2.08 0.25 -4.43 119.36 120.11 2kmx n ILE 1164Ca 0.05 -0.78 0.12 0.00 0.56 0.00 0.00 62.75 62.70 2kmx n ILE 1164Cb 0.34 -0.55 0.25 0.00 -0.75 0.00 0.00 39.64 38.93 2kmx n ILE 1164CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 2kmx h ILE 1165N 0.00 0.00 -0.14 1.39 -0.00 -1.52 -3.36 117.51 113.88 2kmx h ILE 1165Ca -0.51 -0.72 -0.02 0.00 -0.00 0.00 0.00 64.86 63.61 2kmx h ILE 1165Cb 2.14 1.62 -0.01 0.00 -0.00 0.00 0.00 36.82 40.57 2kmx h ILE 1165CO 0.02 0.00 -0.01 -0.78 -0.00 0.00 0.00 178.15 177.38 2kmx h ASP 1166N 0.00 0.18 0.77 2.16 3.58 -1.76 0.14 116.42 121.48 2kmx h ASP 1166Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kmx h ASP 1166Cb 0.86 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kmx h ASP 1166CO 0.00 0.23 0.00 0.00 -2.88 0.00 0.00 179.24 176.59 2kmx n ALA 1167N -2.50 2.13 0.03 -0.78 0.00 -1.26 -4.12 120.51 114.00 2kmx n ALA 1167Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2kmx n ALA 1167Cb 0.17 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 2kmx n ALA 1167CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kmx n GLN 1168N -1.46 0.55 -0.24 0.00 6.02 0.43 -4.69 117.38 117.99 2kmx n GLN 1168Ca 0.07 -0.09 0.04 0.00 -0.01 0.00 0.00 57.00 57.01 2kmx n GLN 1168Cb 0.27 -1.22 0.15 0.00 1.02 0.00 0.00 30.24 30.45 2kmx n GLN 1168CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2kmx h ILE 1169N 0.00 0.46 0.00 5.09 2.04 -1.54 -0.46 117.51 123.10 2kmx h ILE 1169Ca 0.00 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2kmx h ILE 1169Cb 0.45 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2kmx h ILE 1169CO 0.00 0.03 -0.08 0.28 0.00 0.00 0.00 178.15 178.38 2kmx h SER 1170N 0.17 0.00 0.16 1.72 0.02 -1.86 -1.76 113.55 112.00 2kmx h SER 1170Ca 0.38 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.03 2kmx h SER 1170Cb 0.65 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.23 2kmx h SER 1170CO -0.56 0.08 -1.30 0.78 -1.14 0.00 0.00 176.83 174.70 2kmx h ASN 1171N 0.00 0.86 -0.81 3.07 4.21 -1.42 -3.31 115.58 118.18 2kmx h ASN 1171Ca -0.00 -0.86 0.03 0.00 1.21 0.00 0.00 56.30 56.69 2kmx h ASN 1171Cb 0.23 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.11 2kmx h ASN 1171CO 0.01 1.64 0.52 0.00 -1.29 0.00 0.00 177.43 178.30 2kmx h ALA 1172N 0.23 1.07 0.00 -0.83 0.00 -0.66 -0.70 119.26 118.37 2kmx h ALA 1172Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kmx h ALA 1172Cb 1.98 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2kmx h ALA 1172CO 0.25 0.33 0.00 1.28 0.00 0.00 0.00 179.25 181.11 2kmx n LEU 1173N -4.59 0.63 -0.02 0.00 7.99 -0.95 -1.12 117.00 118.94 2kmx n LEU 1173Ca 0.10 0.66 -0.10 0.00 -0.01 0.00 0.00 56.01 56.65 2kmx n LEU 1173Cb 0.09 -0.57 -0.14 0.00 -0.11 0.00 0.00 43.42 42.69 2kmx n LEU 1173CO 0.33 -0.54 -0.57 0.59 -1.51 0.00 0.00 177.39 175.70 2kmx n ASN 1174N -2.20 1.02 -0.04 -1.43 3.02 -0.63 -3.98 115.26 111.02 2kmx n ASN 1174Ca 0.02 0.38 0.16 0.00 -0.03 0.00 0.00 54.58 55.11 2kmx n ASN 1174Cb 0.23 -0.15 0.87 0.00 -0.61 0.00 0.00 39.78 40.12 2kmx n ASN 1174CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kmx n ALA 1175N -2.61 2.66 -3.04 5.41 0.00 -0.37 -4.98 120.51 117.58 2kmx n ALA 1175Ca -0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 2kmx n ALA 1175Cb 1.05 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 19.04 2kmx n ALA 1175CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kmx n GLN 1176N -0.94 -2.19 -3.42 0.00 6.02 -0.28 -3.63 117.38 112.95 2kmx n GLN 1176Ca 0.22 1.89 -0.44 0.00 -0.01 0.00 0.00 57.00 58.66 2kmx n GLN 1176Cb 0.16 -3.90 -0.06 0.00 1.02 0.00 0.00 30.24 27.46 2kmx n GLN 1176CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2kmx s GLN 1177N -2.04 2.88 0.23 -1.09 -0.21 -1.10 -4.34 119.66 113.99 2kmx s GLN 1177Ca 0.18 -1.88 -0.31 0.00 0.02 0.00 0.00 55.36 53.37 2kmx s GLN 1177Cb -0.03 -4.16 -0.10 0.00 1.00 0.00 0.00 33.01 29.71 2kmx s GLN 1177CO 0.66 -1.27 1.53 0.71 -2.12 0.00 0.00 175.29 174.80 2kmx s TYR 1178N 1.23 2.96 -0.33 0.91 1.51 -0.01 -4.31 117.35 119.30 2kmx s TYR 1178Ca 0.07 0.81 -0.21 0.00 -1.01 0.00 0.00 57.07 56.74 2kmx s TYR 1178Cb -0.25 -3.93 -0.00 0.00 -0.11 0.00 0.00 41.96 37.66 2kmx s TYR 1178CO -0.00 -3.20 0.65 0.21 -1.11 0.00 0.00 175.55 172.09 2kmx s LYS 1179N 0.10 3.81 0.01 -0.62 2.20 -1.26 -0.80 119.74 123.18 2kmx s LYS 1179Ca 0.64 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2kmx s LYS 1179Cb -0.44 -3.76 -0.01 0.00 -1.51 0.00 0.00 37.83 32.10 2kmx s LYS 1179CO 0.40 -0.66 -0.05 0.14 -0.36 0.00 0.00 175.35 174.83 2kmx s VAL 1180N 2.69 0.32 0.03 4.02 -7.23 -0.41 -1.27 120.40 118.54 2kmx s VAL 1180Ca 0.26 -0.56 -0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2kmx s VAL 1180Cb -0.15 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 2kmx s VAL 1180CO 0.13 -0.17 -0.03 -1.48 -0.31 0.00 0.00 175.10 173.25 2kmx s LEU 1181N -0.78 2.29 -0.12 1.32 2.34 -0.02 -0.77 118.68 122.93 2kmx s LEU 1181Ca -0.05 -0.62 -0.11 0.00 0.06 0.00 0.00 54.13 53.40 2kmx s LEU 1181Cb -0.05 0.14 0.03 0.00 -0.56 0.00 0.00 46.19 45.74 2kmx s LEU 1181CO -0.00 -0.38 0.33 -0.51 -1.06 0.00 0.00 176.35 174.73 2kmx s ILE 1182N -2.08 -0.00 0.00 1.48 2.07 -0.62 -1.04 121.20 121.00 2kmx s ILE 1182Ca -0.10 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 2kmx s ILE 1182Cb -0.05 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2kmx s ILE 1182CO -0.03 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 2kmx n GLY 1183N 2.98 4.12 7.00 1.50 0.00 -0.90 -1.60 105.19 118.30 2kmx n GLY 1183Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2kmx n GLY 1183CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kmx n ASN 1184N 0.00 -0.83 0.00 1.61 3.02 -0.94 -4.54 115.26 113.57 2kmx n ASN 1184Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kmx n ASN 1184Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2kmx n ASN 1184CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kmx n ARG 1185N 0.00 0.00 0.15 3.52 1.85 -1.26 -2.66 116.66 118.26 2kmx n ARG 1185Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.86 2kmx n ARG 1185Cb 0.00 -0.50 0.30 0.00 -1.05 0.00 0.00 32.46 31.21 2kmx n ARG 1185CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2kmx h GLU 1186N 0.00 0.07 -0.69 2.89 4.81 -1.99 -3.06 114.58 116.61 2kmx h GLU 1186Ca 0.00 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2kmx h GLU 1186Cb 0.00 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2kmx h GLU 1186CO 0.00 0.46 0.46 2.35 -0.73 0.00 0.00 179.01 181.56 2kmx h TRP 1187N 0.06 0.51 -0.26 0.92 7.01 -1.89 -0.20 115.95 122.10 2kmx h TRP 1187Ca 0.00 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.91 2kmx h TRP 1187Cb 0.74 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2kmx h TRP 1187CO 0.00 0.22 -0.29 0.52 -2.79 0.00 0.00 178.44 176.11 2kmx h MET 1188N 0.46 0.51 0.75 2.65 2.86 -1.82 -0.30 114.93 120.05 2kmx h MET 1188Ca 0.33 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2kmx h MET 1188Cb 0.66 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 2kmx h MET 1188CO -0.10 0.75 -0.48 0.82 1.06 0.00 0.00 176.91 178.96 2kmx h ILE 1189N 0.45 0.00 -0.83 -1.22 2.04 -1.17 -2.74 117.51 114.03 2kmx h ILE 1189Ca 0.06 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.16 2kmx h ILE 1189Cb 0.73 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2kmx h ILE 1189CO 0.06 0.00 0.77 -0.09 0.00 0.00 0.00 178.15 178.89 2kmx h ARG 1190N -1.16 0.00 -0.60 2.37 1.12 -1.09 0.26 114.38 115.27 2kmx h ARG 1190Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 2kmx h ARG 1190Cb 0.94 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 2kmx h ARG 1190CO 0.09 0.00 0.00 -1.71 -3.11 0.00 0.00 179.97 175.24 2kmx n ASN 1191N -3.75 0.60 -0.60 -3.80 5.15 -0.13 -4.89 115.26 107.84 2kmx n ASN 1191Ca 0.17 -1.98 -0.08 0.00 -0.60 0.00 0.00 54.58 52.09 2kmx n ASN 1191Cb 1.06 -0.30 -0.03 0.00 -0.53 0.00 0.00 39.78 39.97 2kmx n ASN 1191CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kmx n GLY 1192N 0.20 0.91 3.94 8.20 0.00 0.08 -4.85 105.19 113.67 2kmx n GLY 1192Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2kmx n GLY 1192CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kmx s LEU 1193N -1.77 2.79 -0.11 0.99 1.43 -1.11 -5.06 118.68 115.84 2kmx s LEU 1193Ca 0.00 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2kmx s LEU 1193Cb 0.00 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 2kmx s LEU 1193CO 0.00 -2.05 -0.16 -0.69 0.23 0.00 0.00 176.35 173.68 2kmx s VAL 1194N -3.46 2.77 -0.17 -1.59 1.01 -1.26 -4.71 120.40 112.98 2kmx s VAL 1194Ca 0.66 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2kmx s VAL 1194Cb -0.07 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2kmx s VAL 1194CO 0.48 0.54 -0.02 -0.51 0.00 0.00 0.00 175.10 175.59 2kmx s ILE 1195N 0.24 3.94 0.41 2.22 2.07 -1.26 -4.94 121.20 123.88 2kmx s ILE 1195Ca -0.11 -0.33 -0.05 0.00 -1.41 0.00 0.00 60.65 58.75 2kmx s ILE 1195Cb -0.16 -2.75 -0.04 0.00 0.13 0.00 0.00 42.46 39.64 2kmx s ILE 1195CO 0.06 0.47 0.70 0.54 -1.91 0.00 0.00 174.94 174.79 2kmx s ASN 1196N 0.62 6.34 0.58 4.50 2.20 -1.26 -4.96 114.94 122.95 2kmx s ASN 1196Ca -0.02 0.83 0.32 0.00 -0.94 0.00 0.00 52.86 53.05 2kmx s ASN 1196Cb -0.14 -2.20 1.77 0.00 -2.00 0.00 0.00 41.25 38.68 2kmx s ASN 1196CO 0.02 -0.43 2.19 -1.13 -2.94 0.00 0.00 177.10 174.81 2kmx h ASN 1197N 0.74 0.00 0.01 3.54 -1.24 -2.00 -2.28 115.58 114.35 2kmx h ASN 1197Ca -0.48 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.35 2kmx h ASN 1197Cb 1.20 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.27 2kmx h ASN 1197CO 0.63 0.05 -0.72 -0.78 -1.29 0.00 0.00 177.43 175.32 2kmx h ASP 1198N 0.00 0.61 0.69 1.15 3.58 -2.01 -2.87 116.42 117.57 2kmx h ASP 1198Ca -0.00 -0.77 -0.17 0.00 0.42 0.00 0.00 57.03 56.50 2kmx h ASP 1198Cb 0.17 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 2kmx h ASP 1198CO 0.01 1.30 -0.81 1.62 -2.88 0.00 0.00 179.24 178.48 2kmx h VAL 1199N -0.02 1.53 -0.32 2.25 3.04 -1.95 -3.14 116.25 117.64 2kmx h VAL 1199Ca -0.09 -2.62 0.07 0.00 -1.01 0.00 0.00 66.70 63.04 2kmx h VAL 1199Cb 1.42 2.43 -0.07 0.00 -2.01 0.00 0.00 31.29 33.07 2kmx h VAL 1199CO 0.14 0.76 -0.12 -1.13 -1.01 0.00 0.00 177.57 176.21 2kmx h ASN 1200N 0.05 -0.40 -0.60 3.17 -0.73 -1.45 0.77 115.58 116.39 2kmx h ASN 1200Ca -0.02 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.32 2kmx h ASN 1200Cb 1.41 0.24 -0.05 0.00 0.27 0.00 0.00 38.32 40.19 2kmx h ASN 1200CO 0.11 -0.15 0.30 -0.78 -0.37 0.00 0.00 177.43 176.55 2kmx h ASP 1201N -0.05 0.42 0.06 1.15 3.58 -1.47 -1.79 116.42 118.33 2kmx h ASP 1201Ca 0.16 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.48 2kmx h ASP 1201Cb 0.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2kmx h ASP 1201CO -0.36 0.28 -0.58 0.15 -2.88 0.00 0.00 179.24 175.85 2kmx h PHE 1202N 0.57 0.67 0.08 0.28 3.57 -1.46 -1.93 116.94 118.72 2kmx h PHE 1202Ca 0.28 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2kmx h PHE 1202Cb 0.21 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2kmx h PHE 1202CO -0.10 0.98 -0.04 1.98 -2.23 0.00 0.00 178.31 178.90 2kmx h MET 1203N 0.40 -0.10 -0.12 1.11 4.05 -0.45 -1.29 114.93 118.53 2kmx h MET 1203Ca 0.00 0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 2kmx h MET 1203Cb 1.13 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 2kmx h MET 1203CO 0.11 0.08 -0.47 0.00 0.23 0.00 0.00 176.91 176.86 2kmx h THR 1204N -0.27 1.33 -0.34 -0.77 1.03 -1.42 -2.14 112.91 110.33 2kmx h THR 1204Ca -0.01 -1.66 0.01 0.00 -0.01 0.00 0.00 66.41 64.74 2kmx h THR 1204Cb 0.23 1.75 -0.02 0.00 -1.07 0.00 0.00 68.15 69.04 2kmx h THR 1204CO 0.02 0.50 0.21 -0.08 -0.01 0.00 0.00 175.52 176.16 2kmx h GLU 1205N 0.25 0.42 -0.21 0.00 4.81 -1.19 0.07 114.58 118.73 2kmx h GLU 1205Ca 0.02 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2kmx h GLU 1205Cb 0.92 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 2kmx h GLU 1205CO 0.08 0.28 -0.54 0.45 -0.73 0.00 0.00 179.01 178.54 2kmx h HIS 1206N 0.43 0.79 -0.65 0.92 3.86 -1.23 -2.45 115.15 116.82 2kmx h HIS 1206Ca 0.13 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 2kmx h HIS 1206Cb -0.03 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 2kmx h HIS 1206CO -0.06 1.03 0.29 0.93 0.86 0.00 0.00 177.93 180.98 2kmx h GLU 1207N 0.48 0.93 0.00 2.45 4.39 -1.18 -2.84 114.58 118.81 2kmx h GLU 1207Ca 0.01 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2kmx h GLU 1207Cb 1.10 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2kmx h GLU 1207CO 0.11 0.73 -0.28 0.00 -1.16 0.00 0.00 179.01 178.42 2kmx h ARG 1208N 0.92 0.00 0.00 2.33 3.08 -0.94 -2.99 114.38 116.79 2kmx h ARG 1208Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2kmx h ARG 1208Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2kmx h ARG 1208CO -0.03 0.28 0.00 1.63 -1.07 0.00 0.00 179.97 180.78 2kmx n LYS 1209N -3.39 0.10 -0.37 0.04 5.02 -0.93 -4.84 118.16 113.79 2kmx n LYS 1209Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2kmx n LYS 1209Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2kmx n LYS 1209CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kmx n GLY 1210N -0.48 0.77 3.78 0.72 0.00 -1.13 -5.08 105.19 103.77 2kmx n GLY 1210Ca 0.04 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2kmx n GLY 1210CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmx s ARG 1211N -0.74 2.20 -0.27 1.61 1.81 -1.17 -4.88 118.95 117.51 2kmx s ARG 1211Ca 0.00 -2.35 -0.11 0.00 -1.72 0.00 0.00 55.73 51.55 2kmx s ARG 1211Cb 0.00 -1.61 -0.05 0.00 -0.45 0.00 0.00 34.95 32.85 2kmx s ARG 1211CO 0.00 -0.39 0.18 0.99 -0.68 0.00 0.00 175.30 175.39 2kmx s THR 1212N -2.86 5.25 -0.20 0.02 2.01 -0.10 -4.32 115.64 115.45 2kmx s THR 1212Ca 0.09 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 2kmx s THR 1212Cb 0.01 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 69.04 2kmx s THR 1212CO 0.05 0.27 -0.14 0.00 -0.69 0.00 0.00 174.62 174.12 2kmx s ALA 1213N 1.62 2.53 0.06 7.40 0.00 -1.26 -0.77 121.76 131.33 2kmx s ALA 1213Ca 0.07 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2kmx s ALA 1213Cb -0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2kmx s ALA 1213CO 0.09 -0.41 -0.07 0.14 0.00 0.00 0.00 175.76 175.51 2kmx s VAL 1214N 1.36 0.55 0.35 0.00 -7.23 -0.54 -4.67 120.40 110.22 2kmx s VAL 1214Ca 0.05 -1.40 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2kmx s VAL 1214Cb -0.14 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 2kmx s VAL 1214CO -0.09 -0.59 0.37 -0.76 -0.31 0.00 0.00 175.10 173.72 2kmx s LEU 1215N -2.14 3.68 -0.07 1.32 1.02 -1.09 -0.74 118.68 120.66 2kmx s LEU 1215Ca -0.02 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.70 2kmx s LEU 1215Cb -0.04 -2.37 0.02 0.00 0.02 0.00 0.00 46.19 43.82 2kmx s LEU 1215CO -0.02 -0.44 -0.07 -0.69 0.02 0.00 0.00 176.35 175.16 2kmx s VAL 1216N -2.29 0.81 0.13 -1.59 1.01 0.37 -2.11 120.40 116.73 2kmx s VAL 1216Ca 0.44 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.24 2kmx s VAL 1216Cb -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2kmx s VAL 1216CO 0.28 0.30 -0.13 0.00 0.00 0.00 0.00 175.10 175.56 2kmx s ALA 1217N 1.20 1.49 -0.10 5.51 0.00 -0.20 -2.49 121.76 127.16 2kmx s ALA 1217Ca -0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 2kmx s ALA 1217Cb -0.14 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.00 2kmx s ALA 1217CO -0.02 0.03 0.20 0.14 0.00 0.00 0.00 175.76 176.11 2kmx s VAL 1218N -2.57 -0.32 -1.55 0.00 -7.23 0.57 -0.84 120.40 108.46 2kmx s VAL 1218Ca 0.12 0.33 -0.06 0.00 -1.81 0.00 0.00 61.98 60.56 2kmx s VAL 1218Cb -0.02 -0.35 0.05 0.00 0.56 0.00 0.00 36.38 36.62 2kmx s VAL 1218CO 0.02 0.14 0.37 -0.67 -0.31 0.00 0.00 175.10 174.65 2kmx n ASP 1219N 5.32 -0.60 -3.45 4.85 2.03 -0.40 -1.11 116.55 123.20 2kmx n ASP 1219Ca -0.05 -1.12 -0.22 0.00 0.52 0.00 0.00 54.79 53.92 2kmx n ASP 1219Cb 0.50 -2.41 0.08 0.00 -0.72 0.00 0.00 41.12 38.57 2kmx n ASP 1219CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kmx n ASP 1220N -2.85 -5.34 -3.83 1.67 8.00 -1.26 -5.05 116.55 107.89 2kmx n ASP 1220Ca -0.21 -0.54 -0.12 0.00 0.71 0.00 0.00 54.79 54.64 2kmx n ASP 1220Cb 0.63 -4.88 -0.12 0.00 -0.02 0.00 0.00 41.12 36.73 2kmx n ASP 1220CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2kmx s GLU 1221N -6.06 0.21 0.23 -1.24 2.56 -0.27 -4.88 118.70 109.24 2kmx s GLU 1221Ca 0.45 0.10 -0.30 0.00 0.00 0.00 0.00 54.97 55.22 2kmx s GLU 1221Cb -0.20 0.10 -0.09 0.00 2.00 0.00 0.00 34.13 35.94 2kmx s GLU 1221CO 0.70 -0.03 1.14 -0.51 -0.56 0.00 0.00 175.26 176.00 2kmx s LEU 1222N -0.15 4.50 -0.07 2.70 1.43 -1.26 -0.32 118.68 125.51 2kmx s LEU 1222Ca -0.02 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2kmx s LEU 1222Cb -0.02 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2kmx s LEU 1222CO 0.00 -0.25 -0.06 0.00 0.23 0.00 0.00 176.35 176.27 2kmx n GLY 1224N 3.13 1.04 3.16 0.00 0.00 -1.14 -0.45 105.19 110.93 2kmx n GLY 1224Ca -0.12 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2kmx n GLY 1224CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kmx s LEU 1225N 0.00 1.58 -0.00 0.99 2.34 0.19 -0.48 118.68 123.30 2kmx s LEU 1225Ca 0.09 -0.49 0.04 0.00 0.06 0.00 0.00 54.13 53.83 2kmx s LEU 1225Cb -0.01 0.81 -0.01 0.00 -0.56 0.00 0.00 46.19 46.41 2kmx s LEU 1225CO 0.02 -0.56 -0.13 -0.63 -1.06 0.00 0.00 176.35 173.99 2kmx s ILE 1226N -2.81 1.06 -0.13 1.48 -1.09 0.08 -0.90 121.20 118.89 2kmx s ILE 1226Ca -0.03 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 2kmx s ILE 1226Cb 0.00 -0.90 -0.02 0.00 -1.58 0.00 0.00 42.46 39.96 2kmx s ILE 1226CO -0.05 0.26 -0.11 0.00 -1.23 0.00 0.00 174.94 173.80 2kmx s ALA 1227N -0.39 2.70 0.10 9.38 0.00 0.14 -1.47 121.76 132.22 2kmx s ALA 1227Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2kmx s ALA 1227Cb -0.06 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2kmx s ALA 1227CO -0.00 0.25 -0.08 0.42 0.00 0.00 0.00 175.76 176.34 2kmx s ILE 1228N 0.33 0.85 0.20 0.00 1.09 0.05 -0.63 121.20 123.10 2kmx s ILE 1228Ca -0.09 -1.80 0.02 0.00 -1.10 0.00 0.00 60.65 57.69 2kmx s ILE 1228Cb -0.16 -1.52 -0.01 0.00 -1.06 0.00 0.00 42.46 39.71 2kmx s ILE 1228CO 0.05 -0.71 0.09 0.00 -0.10 0.00 0.00 174.94 174.27 2kmx n ALA 1229N 0.24 0.31 -2.62 9.38 0.00 0.19 -0.92 120.51 127.08 2kmx n ALA 1229Ca -0.14 -1.06 -0.29 0.00 0.00 0.00 0.00 53.44 51.95 2kmx n ALA 1229Cb 0.59 0.74 -0.09 0.00 0.00 0.00 0.00 19.45 20.70 2kmx n ALA 1229CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kmx s ASP 1230N -2.28 4.62 0.00 0.00 1.01 -1.26 -1.29 116.67 117.47 2kmx s ASP 1230Ca 0.13 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.03 2kmx s ASP 1230Cb 0.01 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 42.98 2kmx s ASP 1230CO 0.09 0.15 0.00 1.07 0.21 0.00 0.00 175.17 176.69