#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqn n ARG 1026N 0.00 0.06 0.00 -1.24 5.12 -1.26 -1.27 116.66 118.07 1oqn n ARG 1026Ca 0.00 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 1oqn n ARG 1026Cb 0.00 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.63 1oqn n ARG 1026CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1oqn n SER 1027N -1.79 0.00 0.26 0.55 3.41 -1.26 -3.53 113.62 111.26 1oqn n SER 1027Ca -0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1oqn n SER 1027Cb 0.04 -0.47 0.70 0.00 -0.26 0.00 0.00 64.21 64.22 1oqn n SER 1027CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1oqn h GLU 1028N 0.00 0.00 -0.46 4.33 4.11 -1.97 -2.62 114.58 117.97 1oqn h GLU 1028Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1oqn h GLU 1028Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1oqn h GLU 1028CO 0.00 0.12 0.28 0.00 0.07 0.00 0.00 179.01 179.48 1oqn h ALA 1029N 1.88 0.58 -0.35 1.06 0.00 -1.34 0.48 119.26 121.57 1oqn h ALA 1029Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1oqn h ALA 1029Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1oqn h ALA 1029CO 0.02 -0.03 -0.33 1.79 0.00 0.00 0.00 179.25 180.69 1oqn h THR 1030N 0.55 1.28 -0.14 0.00 1.35 -1.52 -1.07 112.91 113.38 1oqn h THR 1030Ca 0.18 -1.49 -0.08 0.00 -0.55 0.00 0.00 66.41 64.47 1oqn h THR 1030Cb 0.00 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1oqn h THR 1030CO -0.08 0.49 -0.28 0.25 -0.25 0.00 0.00 175.52 175.66 1oqn h LEU 1031N 0.66 0.25 -0.28 3.87 5.85 -1.11 0.63 115.31 125.18 1oqn h LEU 1031Ca 0.07 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1oqn h LEU 1031Cb 0.88 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1oqn h LEU 1031CO 0.08 0.53 -0.72 0.40 -0.34 0.00 0.00 178.44 178.39 1oqn h ILE 1032N 0.22 1.34 0.02 4.05 2.04 0.17 -2.30 117.51 123.06 1oqn h ILE 1032Ca 0.03 -2.62 -0.22 0.00 1.00 0.00 0.00 64.86 63.06 1oqn h ILE 1032Cb 0.61 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1oqn h ILE 1032CO 0.04 0.71 -0.96 0.50 0.00 0.00 0.00 178.15 178.44 1oqn h LYS 1033N 0.00 0.23 0.00 2.37 1.63 -0.39 -2.09 116.57 118.31 1oqn h LYS 1033Ca -0.01 -0.28 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 1oqn h LYS 1033Cb 1.43 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.13 1oqn h LYS 1033CO 0.09 1.02 -0.36 -0.09 -3.45 0.00 0.00 179.45 176.67 1oqn h ARG 1034N 0.11 0.00 -0.06 1.90 2.43 0.47 -3.27 114.38 115.96 1oqn h ARG 1034Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1oqn h ARG 1034Cb 1.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1oqn h ARG 1034CO 0.15 0.36 0.00 1.19 -1.51 0.00 0.00 179.97 180.16 1oqn n PHE 1035N -3.64 0.07 -1.54 2.20 3.72 -0.89 -4.02 117.46 113.36 1oqn n PHE 1035Ca -0.01 -0.08 -0.31 0.00 -0.05 0.00 0.00 57.45 57.01 1oqn n PHE 1035Cb 0.47 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 1oqn n PHE 1035CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1oqn s LYS 1036N -0.90 2.85 7.99 -1.08 -2.85 -0.79 -2.82 119.74 122.14 1oqn s LYS 1036Ca 0.14 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 1oqn s LYS 1036Cb 0.09 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 1oqn s LYS 1036CO 0.14 -1.17 0.00 0.41 0.10 0.00 0.00 175.35 174.83 1oqn n GLY 1037N -1.87 4.09 0.00 0.59 0.00 -1.26 -1.72 105.19 105.02 1oqn n GLY 1037Ca 0.08 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1oqn n GLY 1037CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oqn n GLU 1038N 13.96 0.48 0.00 1.61 1.02 -1.26 -4.73 120.64 131.72 1oqn n GLU 1038Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1oqn n GLU 1038Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1oqn n GLU 1038CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oqn n GLY 1039N 1.16 0.82 3.68 0.62 0.00 -0.70 -4.55 105.19 106.23 1oqn n GLY 1039Ca 0.15 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1oqn n GLY 1039CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oqn s VAL 1040N 0.00 4.92 0.10 1.61 1.01 -0.49 -4.83 120.40 122.73 1oqn s VAL 1040Ca 0.00 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 1oqn s VAL 1040Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1oqn s VAL 1040CO 0.00 0.09 0.51 -0.60 0.00 0.00 0.00 175.10 175.10 1oqn s ARG 1041N 1.71 3.97 -0.03 2.72 3.52 -1.26 -1.33 118.95 128.25 1oqn s ARG 1041Ca 0.39 0.46 -0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1oqn s ARG 1041Cb -0.17 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1oqn s ARG 1041CO 0.15 0.55 0.05 0.71 -0.81 0.00 0.00 175.30 175.95 1oqn s TYR 1042N -1.35 -0.00 0.09 5.12 2.02 0.61 -4.96 117.35 118.88 1oqn s TYR 1042Ca 0.34 0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.93 1oqn s TYR 1042Cb -0.16 -0.20 -0.06 0.00 -0.40 0.00 0.00 41.96 41.15 1oqn s TYR 1042CO 0.18 -0.10 0.90 0.21 -1.57 0.00 0.00 175.55 175.18 1oqn s LYS 1043N 1.02 4.64 0.06 -0.62 2.20 -1.26 -0.25 119.74 125.53 1oqn s LYS 1043Ca -0.08 1.34 -0.02 0.00 -0.36 0.00 0.00 55.97 56.84 1oqn s LYS 1043Cb -0.12 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1oqn s LYS 1043CO -0.03 0.24 0.13 0.00 -0.36 0.00 0.00 175.35 175.32 1oqn n ALA 1044N 2.79 -0.30 -2.85 3.13 0.00 0.07 -1.90 120.51 121.45 1oqn n ALA 1044Ca 0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1oqn n ALA 1044Cb 0.49 0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.96 1oqn n ALA 1044CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oqn s LYS 1045N -2.01 0.20 -0.46 0.00 1.02 -0.07 -0.49 119.74 117.93 1oqn s LYS 1045Ca 0.03 -0.19 -0.25 0.00 0.02 0.00 0.00 55.97 55.57 1oqn s LYS 1045Cb -0.01 -0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.21 1oqn s LYS 1045CO 0.02 0.03 0.90 -1.17 -0.92 0.00 0.00 175.35 174.20 1oqn s LEU 1046N -0.35 4.06 0.13 3.17 2.96 -0.62 -0.98 118.68 127.05 1oqn s LEU 1046Ca -0.02 0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 1oqn s LEU 1046Cb -0.03 -3.15 -0.07 0.00 0.50 0.00 0.00 46.19 43.45 1oqn s LEU 1046CO -0.00 -1.03 1.39 0.40 -1.32 0.00 0.00 176.35 175.80 1oqn h ILE 1047N 6.06 1.29 0.00 6.68 2.04 -0.93 -3.36 117.51 129.29 1oqn h ILE 1047Ca -0.24 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1oqn h ILE 1047Cb 1.08 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1oqn h ILE 1047CO 1.01 0.59 0.00 0.61 0.00 0.00 0.00 178.15 180.36 1oqn n GLY 1048N 0.46 1.24 2.88 5.37 0.00 -1.11 -4.83 105.19 109.19 1oqn n GLY 1048Ca -0.05 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1oqn n GLY 1048CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqn s ILE 1049N -1.97 1.14 0.20 -0.61 1.01 -1.26 -0.81 121.20 118.91 1oqn s ILE 1049Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1oqn s ILE 1049Cb 0.00 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1oqn s ILE 1049CO 0.00 -0.03 0.32 -0.62 0.00 0.00 0.00 174.94 174.61 1oqn s ASP 1050N 1.59 6.29 -0.22 3.58 2.15 0.55 -4.90 116.67 125.70 1oqn s ASP 1050Ca -0.02 0.10 -0.10 0.00 0.43 0.00 0.00 52.55 52.96 1oqn s ASP 1050Cb -0.17 -1.86 -0.05 0.00 -0.30 0.00 0.00 42.92 40.54 1oqn s ASP 1050CO -0.07 -0.01 0.15 -1.61 -0.17 0.00 0.00 175.17 173.45 1oqn s GLU 1051N -3.63 4.12 0.41 4.34 0.41 -1.26 0.28 118.70 123.36 1oqn s GLU 1051Ca 0.34 -0.25 0.05 0.00 -0.41 0.00 0.00 54.97 54.70 1oqn s GLU 1051Cb -0.10 -3.49 -0.07 0.00 -1.78 0.00 0.00 34.13 28.70 1oqn s GLU 1051CO 0.29 0.16 0.02 0.14 -0.49 0.00 0.00 175.26 175.37 1oqn s VAL 1052N 0.78 1.67 -0.11 2.63 -7.23 -1.08 -4.90 120.40 112.15 1oqn s VAL 1052Ca 0.08 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1oqn s VAL 1052Cb -0.13 -2.82 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 1oqn s VAL 1052CO 0.02 0.00 0.29 -1.28 -0.31 0.00 0.00 175.10 173.81 1oqn h SER 1053N 1.78 -0.00 -5.79 4.85 0.87 -1.98 -3.39 113.55 109.89 1oqn h SER 1053Ca -0.43 -0.36 -0.54 0.00 -1.23 0.00 0.00 61.79 59.23 1oqn h SER 1053Cb 1.25 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 1oqn h SER 1053CO 0.77 0.67 -0.24 0.00 -0.53 0.00 0.00 176.83 177.50 1oqn n ALA 1054N -2.72 0.84 0.41 6.23 0.00 -1.26 -4.83 120.51 119.19 1oqn n ALA 1054Ca -0.04 -2.09 0.12 0.00 0.00 0.00 0.00 53.44 51.43 1oqn n ALA 1054Cb 0.17 0.84 0.12 0.00 0.00 0.00 0.00 19.45 20.59 1oqn n ALA 1054CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oqn h ALA 1055N 0.63 0.58 -2.62 0.00 0.00 -1.99 -3.47 119.26 112.40 1oqn h ALA 1055Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1oqn h ALA 1055Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1oqn h ALA 1055CO 0.51 0.00 0.11 2.89 0.00 0.00 0.00 179.25 182.76 1oqn n ARG 1056N -2.34 0.56 0.00 0.00 0.00 -1.26 -4.07 116.66 109.55 1oqn n ARG 1056Ca 0.02 -1.19 0.00 0.00 -0.00 0.00 0.00 57.85 56.68 1oqn n ARG 1056Cb 0.48 1.44 0.00 0.00 -0.00 0.00 0.00 32.46 34.37 1oqn n ARG 1056CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1oqn n GLY 1057N -0.28 3.32 0.33 2.89 0.00 -1.26 -4.84 105.19 105.35 1oqn n GLY 1057Ca -0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 1oqn n GLY 1057CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oqn h ASP 1058N 0.00 0.83 0.53 1.61 3.32 -2.00 -2.70 116.42 118.01 1oqn h ASP 1058Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1oqn h ASP 1058Cb 0.00 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.34 1oqn h ASP 1058CO 0.00 0.71 -0.25 0.11 -1.72 0.00 0.00 179.24 178.09 1oqn h LYS 1059N 0.92 -0.68 -0.92 3.56 6.56 -1.98 -0.34 116.57 123.68 1oqn h LYS 1059Ca 0.22 0.05 0.14 0.00 -1.06 0.00 0.00 60.65 60.00 1oqn h LYS 1059Cb 0.11 0.16 -0.09 0.00 -0.57 0.00 0.00 32.23 31.83 1oqn h LYS 1059CO -0.03 -0.42 0.53 -0.07 -2.06 0.00 0.00 179.45 177.41 1oqn h LEU 1060N -1.14 0.72 -0.06 2.94 -0.00 -1.89 0.17 115.31 116.04 1oqn h LEU 1060Ca -0.07 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1oqn h LEU 1060Cb 0.58 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1oqn h LEU 1060CO 0.12 0.33 0.00 0.00 -0.00 0.00 0.00 178.44 178.89 1oqn n GLN 1062N -2.06 0.69 0.06 0.00 7.27 -0.01 -3.63 117.38 119.71 1oqn n GLN 1062Ca 0.06 0.24 -0.03 0.00 0.07 0.00 0.00 57.00 57.33 1oqn n GLN 1062Cb 0.38 -1.70 0.19 0.00 2.41 0.00 0.00 30.24 31.52 1oqn n GLN 1062CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1oqn h ASP 1063N 0.03 0.36 -0.19 1.69 3.32 -0.75 -2.85 116.42 118.02 1oqn h ASP 1063Ca -0.40 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 1oqn h ASP 1063Cb 2.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.47 1oqn h ASP 1063CO 0.06 0.72 -0.27 -1.28 -1.72 0.00 0.00 179.24 176.75 1oqn h SER 1064N 0.29 0.69 -0.13 6.45 0.87 -1.60 0.46 113.55 120.58 1oqn h SER 1064Ca 0.03 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1oqn h SER 1064Cb 0.82 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1oqn h SER 1064CO 0.07 0.92 0.05 -0.03 -0.53 0.00 0.00 176.83 177.31 1oqn h MET 1065N 0.58 0.19 -0.85 2.24 1.85 -1.60 -0.84 114.93 116.49 1oqn h MET 1065Ca 0.08 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.11 1oqn h MET 1065Cb 0.76 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.72 1oqn h MET 1065CO 0.06 0.27 0.44 0.52 -0.40 0.00 0.00 176.91 177.81 1oqn h MET 1066N 0.06 1.21 -0.44 0.39 2.07 -1.26 0.79 114.93 117.75 1oqn h MET 1066Ca 0.04 -0.16 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 1oqn h MET 1066Cb 0.15 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 1oqn h MET 1066CO -0.00 0.91 0.24 -0.22 1.07 0.00 0.00 176.91 178.90 1oqn h LYS 1067N 1.20 0.61 -0.36 1.72 3.64 -0.63 -1.08 116.57 121.68 1oqn h LYS 1067Ca 0.30 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1oqn h LYS 1067Cb 0.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1oqn h LYS 1067CO -0.04 0.49 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.29 1oqn h LEU 1068N 0.58 0.76 -1.08 5.20 3.38 -0.79 -2.72 115.31 120.64 1oqn h LEU 1068Ca 0.15 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1oqn h LEU 1068Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1oqn h LEU 1068CO -0.02 0.99 -0.33 0.11 0.09 0.00 0.00 178.44 179.27 1oqn h LYS 1069N 0.63 0.24 -0.31 1.13 1.57 -0.64 -2.64 116.57 116.55 1oqn h LYS 1069Ca 0.08 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1oqn h LYS 1069Cb 0.78 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1oqn h LYS 1069CO 0.06 0.54 -0.40 0.78 -0.57 0.00 0.00 179.45 179.87 1oqn h GLY 1070N 1.09 0.82 1.07 3.86 0.00 -0.94 -0.67 103.07 108.31 1oqn h GLY 1070Ca 0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.42 1oqn h GLY 1070CO 0.05 0.75 -0.09 -2.08 0.00 0.00 0.00 176.54 175.17 1oqn h VAL 1071N 0.62 1.27 -0.77 4.60 2.07 -1.36 -0.98 116.25 121.69 1oqn h VAL 1071Ca 0.05 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1oqn h VAL 1071Cb 0.95 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1oqn h VAL 1071CO 0.09 0.43 0.39 0.58 0.02 0.00 0.00 177.57 179.08 1oqn h VAL 1072N 0.85 1.24 -0.51 2.57 2.07 -1.35 -2.02 116.25 119.11 1oqn h VAL 1072Ca 0.14 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1oqn h VAL 1072Cb 0.65 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1oqn h VAL 1072CO 0.05 0.28 0.28 0.00 0.02 0.00 0.00 177.57 178.20 1oqn h ALA 1073N 1.20 0.65 -0.55 1.67 0.00 -0.59 -0.92 119.26 120.72 1oqn h ALA 1073Ca 0.27 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1oqn h ALA 1073Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1oqn h ALA 1073CO -0.04 0.16 0.37 0.78 0.00 0.00 0.00 179.25 180.52 1oqn h GLY 1074N 0.67 0.74 1.52 0.00 0.00 -0.75 -1.83 103.07 103.42 1oqn h GLY 1074Ca 0.18 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 1oqn h GLY 1074CO -0.03 0.24 -0.67 0.00 0.00 0.00 0.00 176.54 176.08 1oqn h ALA 1075N 1.67 0.61 -0.98 3.60 0.00 -0.65 -3.27 119.26 120.25 1oqn h ALA 1075Ca 0.22 -0.57 0.30 0.00 0.00 0.00 0.00 54.91 54.85 1oqn h ALA 1075Cb 0.04 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.62 1oqn h ALA 1075CO -0.05 0.73 0.50 -0.09 0.00 0.00 0.00 179.25 180.33 1oqn h ARG 1076N 0.35 0.31 -0.95 0.00 2.43 -0.29 0.52 114.38 116.74 1oqn h ARG 1076Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1oqn h ARG 1076Cb 1.23 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1oqn h ARG 1076CO 0.12 0.20 0.00 -1.13 -1.51 0.00 0.00 179.97 177.65 1oqn n SER 1077N -5.08 1.40 -0.08 -3.80 3.41 -1.23 -3.08 113.62 105.16 1oqn n SER 1077Ca 0.29 -2.08 0.01 0.00 -0.26 0.00 0.00 58.87 56.83 1oqn n SER 1077Cb 0.90 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1oqn n SER 1077CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1oqn n LYS 1078N 0.05 0.86 0.00 4.33 4.81 0.18 -5.00 118.16 123.39 1oqn n LYS 1078Ca 0.02 -0.99 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 1oqn n LYS 1078Cb 0.33 -0.70 0.00 0.00 0.02 0.00 0.00 35.03 34.68 1oqn n LYS 1078CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1oqn n GLY 1079N -0.24 1.59 3.74 3.14 0.00 -1.18 -5.05 105.19 107.19 1oqn n GLY 1079Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1oqn n GLY 1079CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oqn s GLU 1080N -0.75 2.34 0.01 1.61 8.01 -1.19 -5.02 118.70 123.71 1oqn s GLU 1080Ca 0.00 1.67 -0.04 0.00 0.01 0.00 0.00 54.97 56.61 1oqn s GLU 1080Cb 0.00 -1.87 -0.01 0.00 -4.31 0.00 0.00 34.13 27.94 1oqn s GLU 1080CO 0.00 -1.66 0.06 -1.01 0.01 0.00 0.00 175.26 172.66 1oqn s HIS 1081N -2.06 0.14 0.46 1.61 3.76 -1.26 -4.43 115.29 113.51 1oqn s HIS 1081Ca 0.73 -0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 55.10 1oqn s HIS 1081Cb -0.27 -0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.24 1oqn s HIS 1081CO 0.44 -0.24 1.16 0.15 -0.85 0.00 0.00 174.74 175.40 1oqn s LYS 1082N -1.38 3.75 -0.02 1.40 1.02 -1.26 -4.95 119.74 118.29 1oqn s LYS 1082Ca -0.15 1.76 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 1oqn s LYS 1082Cb -0.09 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.78 1oqn s LYS 1082CO 0.00 -0.56 1.51 -1.14 -0.92 0.00 0.00 175.35 174.24 1oqn s GLN 1083N -2.72 4.23 0.14 1.68 0.74 -1.26 -4.85 119.66 117.62 1oqn s GLN 1083Ca 0.64 2.07 -0.30 0.00 0.05 0.00 0.00 55.36 57.81 1oqn s GLN 1083Cb -0.28 -3.72 -0.07 0.00 1.10 0.00 0.00 33.01 30.03 1oqn s GLN 1083CO 0.34 -0.70 1.26 0.15 -0.55 0.00 0.00 175.29 175.80 1oqn s LYS 1084N 3.04 4.41 0.30 1.67 1.02 -1.26 -1.59 119.74 127.33 1oqn s LYS 1084Ca 0.68 1.93 0.01 0.00 0.02 0.00 0.00 55.97 58.60 1oqn s LYS 1084Cb -0.32 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1oqn s LYS 1084CO 0.27 -0.25 0.32 0.96 -0.92 0.00 0.00 175.35 175.73 1oqn s ILE 1085N 0.57 0.00 0.00 2.17 -4.36 0.36 -1.96 121.20 117.98 1oqn s ILE 1085Ca 0.58 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1oqn s ILE 1085Cb -0.33 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 1oqn s ILE 1085CO 0.33 0.00 -0.03 0.72 0.24 0.00 0.00 174.94 176.21 1oqn s PHE 1086N -3.55 0.22 0.11 1.37 -0.12 -0.31 -0.75 117.98 114.95 1oqn s PHE 1086Ca 0.36 -0.14 0.08 0.00 -0.05 0.00 0.00 56.93 57.17 1oqn s PHE 1086Cb 0.02 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1oqn s PHE 1086CO 0.20 -0.04 -0.19 -0.48 -0.05 0.00 0.00 175.22 174.67 1oqn s LEU 1087N -0.36 2.32 0.09 -1.99 0.05 0.66 -1.02 118.68 118.43 1oqn s LEU 1087Ca -0.02 -0.71 0.10 0.00 0.05 0.00 0.00 54.13 53.55 1oqn s LEU 1087Cb -0.03 -0.79 -0.03 0.00 -2.05 0.00 0.00 46.19 43.29 1oqn s LEU 1087CO -0.00 0.01 -0.26 0.42 -0.55 0.00 0.00 176.35 175.97 1oqn s THR 1088N -1.36 2.25 -0.14 5.48 -4.23 -0.31 -0.29 115.64 117.04 1oqn s THR 1088Ca 0.06 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1oqn s THR 1088Cb -0.09 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1oqn s THR 1088CO 0.04 0.23 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.53 1oqn s ILE 1089N -0.94 2.36 0.16 2.99 -1.09 -0.44 -2.06 121.20 122.17 1oqn s ILE 1089Ca 0.13 -0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 57.57 1oqn s ILE 1089Cb -0.10 -1.96 0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1oqn s ILE 1089CO 0.04 0.53 0.49 -1.54 -1.23 0.00 0.00 174.94 173.24 1oqn n SER 1090N 4.01 -1.10 0.23 3.58 3.41 -0.99 -1.39 113.62 121.37 1oqn n SER 1090Ca -0.19 -1.68 0.16 0.00 -0.26 0.00 0.00 58.87 56.89 1oqn n SER 1090Cb 0.52 1.81 0.78 0.00 -0.26 0.00 0.00 64.21 67.06 1oqn n SER 1090CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1oqn h PHE 1091N 1.54 0.00 -0.00 7.33 0.04 -1.81 0.23 116.94 124.27 1oqn h PHE 1091Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1oqn h PHE 1091Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1oqn h PHE 1091CO 0.00 0.00 -0.03 0.41 -0.60 0.00 0.00 178.31 178.09 1oqn n GLY 1092N -0.81 -0.79 2.77 -1.45 0.00 -1.26 -4.69 105.19 98.96 1oqn n GLY 1092Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1oqn n GLY 1092CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oqn n GLY 1093N 1.15 -0.15 3.62 -0.02 0.00 0.82 -4.13 105.19 106.47 1oqn n GLY 1093Ca 0.19 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1oqn n GLY 1093CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqn s ILE 1094N 0.00 5.27 -0.08 -0.61 1.01 -0.86 -2.34 121.20 123.59 1oqn s ILE 1094Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.02 1oqn s ILE 1094Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1oqn s ILE 1094CO 0.00 0.24 -0.21 -0.54 0.00 0.00 0.00 174.94 174.43 1oqn s LYS 1095N 1.66 2.76 -0.26 2.79 1.02 -0.88 -1.05 119.74 125.79 1oqn s LYS 1095Ca 0.10 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 1oqn s LYS 1095Cb -0.15 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1oqn s LYS 1095CO 0.09 0.36 0.03 0.42 -0.92 0.00 0.00 175.35 175.33 1oqn s ILE 1096N -0.09 3.72 -0.09 2.17 1.01 0.50 -1.16 121.20 127.26 1oqn s ILE 1096Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1oqn s ILE 1096Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1oqn s ILE 1096CO 0.04 0.23 -0.07 -0.36 0.00 0.00 0.00 174.94 174.78 1oqn s PHE 1097N 1.49 2.93 0.19 3.97 0.40 -0.19 -1.14 117.98 125.64 1oqn s PHE 1097Ca 0.04 -0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 55.95 1oqn s PHE 1097Cb -0.16 -1.77 -0.09 0.00 0.51 0.00 0.00 43.02 41.51 1oqn s PHE 1097CO 0.00 0.20 1.40 0.34 0.70 0.00 0.00 175.22 177.86 1oqn s ASP 1098N -0.47 6.77 0.19 1.36 3.68 -0.57 -1.16 116.67 126.47 1oqn s ASP 1098Ca 0.07 2.50 -0.08 0.00 2.13 0.00 0.00 52.55 57.16 1oqn s ASP 1098Cb -0.12 -2.61 0.10 0.00 -1.45 0.00 0.00 42.92 38.84 1oqn s ASP 1098CO 0.02 -0.64 1.66 -0.08 0.13 0.00 0.00 175.17 176.26 1oqn h GLU 1099N 5.70 1.06 0.24 4.34 4.81 -1.70 0.17 114.58 129.20 1oqn h GLU 1099Ca -0.44 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.45 1oqn h GLU 1099Cb 1.21 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1oqn h GLU 1099CO 0.81 1.02 -0.12 -0.22 -0.73 0.00 0.00 179.01 179.78 1oqn h LYS 1100N 0.97 -0.31 -0.00 1.92 3.64 -1.91 -3.33 116.57 117.54 1oqn h LYS 1100Ca 0.17 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1oqn h LYS 1100Cb 0.54 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1oqn h LYS 1100CO 0.03 -0.21 -0.12 0.25 -2.27 0.00 0.00 179.45 177.13 1oqn n THR 1101N -3.09 0.00 -1.02 1.00 -2.24 -1.25 -4.91 114.28 102.77 1oqn n THR 1101Ca -0.04 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1oqn n THR 1101Cb 0.13 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1oqn n THR 1101CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oqn n GLY 1102N 1.40 0.14 3.74 3.38 0.00 0.59 -4.94 105.19 109.50 1oqn n GLY 1102Ca 0.10 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1oqn n GLY 1102CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqn s ALA 1103N -1.20 3.34 0.05 4.61 0.00 -1.24 -4.67 121.76 122.65 1oqn s ALA 1103Ca 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 1oqn s ALA 1103Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1oqn s ALA 1103CO 0.00 0.00 1.48 -1.17 0.00 0.00 0.00 175.76 176.07 1oqn s LEU 1104N -0.80 4.34 -0.03 0.00 2.96 -1.26 -1.51 118.68 122.38 1oqn s LEU 1104Ca 0.45 2.29 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 1oqn s LEU 1104Cb -0.27 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.82 1oqn s LEU 1104CO 0.34 -0.76 0.00 0.00 -1.32 0.00 0.00 176.35 174.61 1oqn n GLN 1105N 5.05 2.96 -4.03 1.98 6.02 -0.29 -4.96 117.38 124.11 1oqn n GLN 1105Ca 0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.96 1oqn n GLN 1105Cb 0.42 -1.07 -0.16 0.00 1.02 0.00 0.00 30.24 30.45 1oqn n GLN 1105CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1oqn s HIS 1106N -2.07 0.40 -0.20 1.08 3.76 -1.06 -5.00 115.29 112.21 1oqn s HIS 1106Ca -0.02 -0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 1oqn s HIS 1106Cb 0.01 -0.39 0.07 0.00 1.11 0.00 0.00 32.58 33.37 1oqn s HIS 1106CO 0.11 -0.10 0.07 -1.58 -0.85 0.00 0.00 174.74 172.39 1oqn s HIS 1107N 0.61 0.66 -0.37 1.40 2.46 -1.26 -0.37 115.29 118.42 1oqn s HIS 1107Ca -0.07 -0.68 -0.01 0.00 0.47 0.00 0.00 55.06 54.78 1oqn s HIS 1107Cb -0.10 -0.91 0.10 0.00 -0.13 0.00 0.00 32.58 31.54 1oqn s HIS 1107CO -0.01 -0.60 0.12 -1.01 -2.47 0.00 0.00 174.74 170.77 1oqn s HIS 1108N 1.98 3.59 0.80 3.88 3.76 -0.21 -5.02 115.29 124.07 1oqn s HIS 1108Ca 0.02 -2.52 -0.14 0.00 -0.15 0.00 0.00 55.06 52.27 1oqn s HIS 1108Cb -0.17 -2.95 0.03 0.00 1.11 0.00 0.00 32.58 30.60 1oqn s HIS 1108CO -0.12 -0.94 0.88 0.00 -0.85 0.00 0.00 174.74 173.71 1oqn n ALA 1109N 4.49 -0.83 0.07 -1.40 0.00 -1.26 -2.03 120.51 119.55 1oqn n ALA 1109Ca -0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1oqn n ALA 1109Cb 0.42 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 1oqn n ALA 1109CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oqn h VAL 1110N -0.77 0.66 0.00 0.00 2.07 -1.84 -1.65 116.25 114.72 1oqn h VAL 1110Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1oqn h VAL 1110Cb 1.31 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1oqn h VAL 1110CO 0.43 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1oqn n HIS 1111N -5.27 0.00 0.28 1.57 1.44 -1.26 -1.10 115.22 110.88 1oqn n HIS 1111Ca -0.06 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.76 1oqn n HIS 1111Cb 0.19 -0.46 -0.07 0.00 0.12 0.00 0.00 29.99 29.77 1oqn n HIS 1111CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1oqn n GLU 1112N -1.46 0.48 -3.15 -1.40 1.02 -0.64 -4.88 120.64 110.61 1oqn n GLU 1112Ca 0.01 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.70 1oqn n GLU 1112Cb 0.02 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.77 1oqn n GLU 1112CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1oqn s ILE 1113N -3.34 5.06 -0.08 -3.67 1.01 -0.26 -2.41 121.20 117.51 1oqn s ILE 1113Ca -0.01 1.16 0.12 0.00 0.00 0.00 0.00 60.65 61.92 1oqn s ILE 1113Cb 0.13 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 38.50 1oqn s ILE 1113CO 0.85 0.17 0.13 -1.54 0.00 0.00 0.00 174.94 174.54 1oqn n SER 1114N 4.66 1.96 -3.81 3.58 3.41 -0.62 -4.99 113.62 117.81 1oqn n SER 1114Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 1oqn n SER 1114Cb 0.50 1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 65.44 1oqn n SER 1114CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1oqn s TYR 1115N -2.52 -0.16 -0.12 7.33 6.14 -1.25 -4.93 117.35 121.84 1oqn s TYR 1115Ca -0.06 0.36 0.01 0.00 0.64 0.00 0.00 57.07 58.02 1oqn s TYR 1115Cb 0.05 0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.50 1oqn s TYR 1115CO 0.52 -0.22 -0.13 0.42 0.64 0.00 0.00 175.55 176.79 1oqn s ILE 1116N -0.54 1.38 -0.00 3.14 1.09 -1.26 -1.51 121.20 123.49 1oqn s ILE 1116Ca -0.06 -0.55 0.01 0.00 -1.10 0.00 0.00 60.65 58.95 1oqn s ILE 1116Cb -0.04 -1.30 -0.00 0.00 -1.06 0.00 0.00 42.46 40.06 1oqn s ILE 1116CO 0.01 0.42 -0.04 0.00 -0.10 0.00 0.00 174.94 175.24 1oqn s ALA 1117N 1.26 0.34 0.65 9.38 0.00 -0.35 -5.02 121.76 128.02 1oqn s ALA 1117Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1oqn s ALA 1117Cb -0.14 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1oqn s ALA 1117CO -0.05 0.08 0.92 0.15 0.00 0.00 0.00 175.76 176.86 1oqn s LYS 1118N -0.06 2.33 -0.33 0.00 1.02 -1.26 -0.76 119.74 120.68 1oqn s LYS 1118Ca 0.01 -0.45 -0.08 0.00 0.02 0.00 0.00 55.97 55.48 1oqn s LYS 1118Cb -0.02 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1oqn s LYS 1118CO -0.00 -1.04 0.12 0.34 -0.92 0.00 0.00 175.35 173.85 1oqn s ASP 1119N -4.48 5.35 0.00 2.83 2.15 -0.89 -4.86 116.67 116.78 1oqn s ASP 1119Ca 0.59 -0.96 0.02 0.00 0.43 0.00 0.00 52.55 52.63 1oqn s ASP 1119Cb -0.11 -1.91 0.08 0.00 -0.30 0.00 0.00 42.92 40.69 1oqn s ASP 1119CO 0.42 -0.29 1.00 2.30 -0.17 0.00 0.00 175.17 178.43 1oqn n ILE 1120N 4.87 1.64 -1.09 4.11 -6.64 -1.26 -1.88 119.36 119.11 1oqn n ILE 1120Ca -0.13 0.41 0.09 0.00 -1.77 0.00 0.00 62.75 61.35 1oqn n ILE 1120Cb 0.46 -1.38 0.17 0.00 -1.44 0.00 0.00 39.64 37.45 1oqn n ILE 1120CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1oqn n THR 1121N -1.44 2.01 -3.15 7.28 -2.24 -1.26 -4.91 114.28 110.57 1oqn n THR 1121Ca 0.01 -2.25 0.04 0.00 -2.27 0.00 0.00 64.05 59.58 1oqn n THR 1121Cb 0.02 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 1oqn n THR 1121CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqn s ASP 1122N -2.69 -1.30 0.00 3.42 3.68 -0.79 -5.02 116.67 113.97 1oqn s ASP 1122Ca 0.35 0.53 0.16 0.00 2.13 0.00 0.00 52.55 55.72 1oqn s ASP 1122Cb 0.30 1.97 0.84 0.00 -1.45 0.00 0.00 42.92 44.59 1oqn s ASP 1122CO 0.04 -0.24 1.45 0.00 0.13 0.00 0.00 175.17 176.55 1oqn n HIS 1123N 5.41 0.00 -1.29 -5.34 1.44 -1.26 -2.76 115.22 111.42 1oqn n HIS 1123Ca 0.01 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.73 1oqn n HIS 1123Cb 0.53 -0.24 0.21 0.00 0.12 0.00 0.00 29.99 30.61 1oqn n HIS 1123CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1oqn n ARG 1124N -1.24 2.09 -3.79 -1.40 1.74 -1.26 -0.95 116.66 111.84 1oqn n ARG 1124Ca 0.08 -3.04 -0.13 0.00 -0.77 0.00 0.00 57.85 54.00 1oqn n ARG 1124Cb 0.12 -1.79 -0.11 0.00 -1.02 0.00 0.00 32.46 29.66 1oqn n ARG 1124CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oqn s ALA 1125N -3.09 -0.63 0.27 7.54 0.00 -1.11 -1.05 121.76 123.69 1oqn s ALA 1125Ca 0.42 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1oqn s ALA 1125Cb 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1oqn s ALA 1125CO 0.02 -0.15 0.53 -0.59 0.00 0.00 0.00 175.76 175.58 1oqn s PHE 1126N -0.17 0.35 0.29 0.00 -0.12 -0.69 -2.08 117.98 115.56 1oqn s PHE 1126Ca -0.03 -0.74 -0.15 0.00 -0.05 0.00 0.00 56.93 55.97 1oqn s PHE 1126Cb -0.03 0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1oqn s PHE 1126CO 0.01 -1.08 0.60 0.20 -0.05 0.00 0.00 175.22 174.90 1oqn s GLY 1127N -3.03 0.42 0.08 1.99 0.00 0.06 -1.25 107.32 105.59 1oqn s GLY 1127Ca 0.21 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 44.02 1oqn s GLY 1127CO 0.10 -0.45 0.40 -2.52 0.00 0.00 0.00 173.10 170.63 1oqn s TYR 1128N -3.63 -0.22 -0.23 1.90 -0.85 -0.97 -1.21 117.35 112.14 1oqn s TYR 1128Ca 0.19 0.04 -0.09 0.00 -0.52 0.00 0.00 57.07 56.68 1oqn s TYR 1128Cb -0.03 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 1oqn s TYR 1128CO 0.10 -0.63 0.12 0.08 -1.52 0.00 0.00 175.55 173.70 1oqn s VAL 1129N -3.14 5.01 0.20 -3.49 1.01 -0.57 -1.54 120.40 117.88 1oqn s VAL 1129Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1oqn s VAL 1129Cb 0.01 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1oqn s VAL 1129CO -0.07 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.40 1oqn n GLY 1131N -0.35 3.12 3.87 0.00 0.00 -1.01 -1.25 105.19 109.57 1oqn n GLY 1131Ca -0.09 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1oqn n GLY 1131CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oqn s LYS 1132N -2.77 3.82 -0.00 1.61 -0.14 -1.24 -4.85 119.74 116.16 1oqn s LYS 1132Ca 0.00 0.48 -0.40 0.00 -1.36 0.00 0.00 55.97 54.69 1oqn s LYS 1132Cb 0.00 -2.43 -0.20 0.00 -1.68 0.00 0.00 37.83 33.53 1oqn s LYS 1132CO 0.00 0.04 1.11 0.39 -0.76 0.00 0.00 175.35 176.13 1oqn n GLU 1133N -1.02 0.11 -0.93 1.68 -0.58 -1.26 0.22 120.64 118.86 1oqn n GLU 1133Ca 0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1oqn n GLU 1133Cb 0.54 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1oqn n GLU 1133CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oqn n GLY 1134N 1.66 0.67 2.43 0.62 0.00 -1.26 -4.86 105.19 104.46 1oqn n GLY 1134Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1oqn n GLY 1134CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1oqn n ASN 1135N -0.06 1.26 -4.85 1.61 5.15 0.13 -5.12 115.26 113.38 1oqn n ASN 1135Ca 0.00 -2.89 -0.33 0.00 -0.60 0.00 0.00 54.58 50.76 1oqn n ASN 1135Cb 0.03 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.65 1oqn n ASN 1135CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1oqn s HIS 1136N -2.80 3.39 0.02 1.20 3.76 -1.25 -3.64 115.29 115.98 1oqn s HIS 1136Ca 0.34 1.19 0.01 0.00 -0.15 0.00 0.00 55.06 56.44 1oqn s HIS 1136Cb 0.40 -2.51 -0.02 0.00 1.11 0.00 0.00 32.58 31.57 1oqn s HIS 1136CO -0.03 0.13 -0.04 1.03 -0.85 0.00 0.00 174.74 174.98 1oqn s ARG 1137N -2.90 0.33 -0.22 1.40 0.52 -0.38 -2.64 118.95 115.05 1oqn s ARG 1137Ca 0.53 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 1oqn s ARG 1137Cb -0.11 -0.03 0.02 0.00 0.52 0.00 0.00 34.95 35.35 1oqn s ARG 1137CO 0.18 -0.01 -0.10 0.12 0.02 0.00 0.00 175.30 175.51 1oqn s PHE 1138N -1.19 2.98 -0.20 -0.53 2.19 0.14 -1.29 117.98 120.09 1oqn s PHE 1138Ca -0.12 -1.56 -0.14 0.00 0.33 0.00 0.00 56.93 55.44 1oqn s PHE 1138Cb -0.08 -2.01 -0.04 0.00 -1.31 0.00 0.00 43.02 39.57 1oqn s PHE 1138CO -0.00 -0.74 0.32 0.08 1.83 0.00 0.00 175.22 176.71 1oqn s VAL 1139N 1.32 5.26 -0.15 3.12 1.01 -0.59 -0.33 120.40 130.04 1oqn s VAL 1139Ca 0.02 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1oqn s VAL 1139Cb -0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1oqn s VAL 1139CO -0.07 0.30 -0.08 0.00 0.00 0.00 0.00 175.10 175.25 1oqn s ALA 1140N 1.05 2.80 -0.01 5.51 0.00 0.01 -2.28 121.76 128.84 1oqn s ALA 1140Ca 0.16 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1oqn s ALA 1140Cb -0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1oqn s ALA 1140CO 0.06 0.18 -0.11 0.42 0.00 0.00 0.00 175.76 176.31 1oqn s ILE 1141N 0.45 0.89 -0.37 0.00 1.01 -0.38 -0.21 121.20 122.59 1oqn s ILE 1141Ca -0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1oqn s ILE 1141Cb -0.15 -0.76 0.06 0.00 0.01 0.00 0.00 42.46 41.62 1oqn s ILE 1141CO 0.04 0.26 0.16 -0.75 0.00 0.00 0.00 174.94 174.65 1oqn s LYS 1142N -0.14 2.56 0.49 2.79 2.36 -0.15 -1.70 119.74 125.95 1oqn s LYS 1142Ca 0.02 -1.32 -0.19 0.00 -2.55 0.00 0.00 55.97 51.93 1oqn s LYS 1142Cb -0.06 -3.57 -0.09 0.00 -1.05 0.00 0.00 37.83 33.06 1oqn s LYS 1142CO -0.00 -0.79 1.00 0.95 1.55 0.00 0.00 175.35 178.05 1oqn s THR 1143N 1.39 4.20 0.03 3.43 -4.23 -0.22 -0.89 115.64 119.35 1oqn s THR 1143Ca 0.01 1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 61.50 1oqn s THR 1143Cb -0.21 -3.57 -0.17 0.00 1.34 0.00 0.00 72.50 69.89 1oqn s THR 1143CO 0.02 -0.43 1.39 0.00 -0.54 0.00 0.00 174.62 175.06 1oqn h ALA 1144N 1.35 -0.35 -3.57 3.99 0.00 -1.69 -3.45 119.26 115.54 1oqn h ALA 1144Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1oqn h ALA 1144Cb 1.20 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1oqn h ALA 1144CO 0.60 -0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.32 1oqn n GLN 1145N -5.13 1.05 -1.72 0.00 1.13 -1.26 -5.05 117.38 106.39 1oqn n GLN 1145Ca -0.09 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.60 1oqn n GLN 1145Cb 0.23 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.65 1oqn n GLN 1145CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1oqn s ALA 1146N -2.57 2.36 -0.23 -1.58 0.00 -1.26 -4.75 121.76 113.73 1oqn s ALA 1146Ca 0.00 1.21 0.19 0.00 0.00 0.00 0.00 51.96 53.36 1oqn s ALA 1146Cb 0.00 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.62 1oqn s ALA 1146CO 0.00 -1.63 1.24 0.00 0.00 0.00 0.00 175.76 175.37 1oqn h ALA 1147N 0.50 0.70 -0.47 0.00 0.00 -1.35 -3.38 119.26 115.27 1oqn h ALA 1147Ca -0.51 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.14 1oqn h ALA 1147Cb 1.34 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1oqn h ALA 1147CO 0.53 0.43 -0.17 1.49 0.00 0.00 0.00 179.25 181.53 1oqn h GLU 1148N 0.00 -0.06 -0.54 0.00 4.81 -1.93 0.34 114.58 117.20 1oqn h GLU 1148Ca -0.04 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1oqn h GLU 1148Cb 1.27 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1oqn h GLU 1148CO 0.03 -0.04 0.38 -1.00 -0.73 0.00 0.00 179.01 177.65 1oqn h PRO 1149N -0.07 0.15 -0.12 0.92 0.13 -1.98 -0.57 132.00 130.48 1oqn h PRO 1149Ca 0.22 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 65.14 1oqn h PRO 1149Cb 0.41 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1oqn h PRO 1149CO -0.52 0.10 -0.76 0.28 -0.23 0.00 0.00 178.00 176.88 1oqn h VAL 1150N 0.16 1.33 -0.29 1.56 2.07 -1.20 -2.31 116.25 117.56 1oqn h VAL 1150Ca 0.26 -2.06 -0.10 0.00 0.82 0.00 0.00 66.70 65.62 1oqn h VAL 1150Cb 0.81 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1oqn h VAL 1150CO -0.04 0.64 -0.26 0.40 0.02 0.00 0.00 177.57 178.33 1oqn h ILE 1151N 0.41 1.27 -0.15 4.57 1.08 -0.38 -1.44 117.51 122.86 1oqn h ILE 1151Ca -0.04 -1.31 -0.17 0.00 -0.39 0.00 0.00 64.86 62.95 1oqn h ILE 1151Cb 1.36 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1oqn h ILE 1151CO 0.14 0.42 -0.59 -0.07 -0.69 0.00 0.00 178.15 177.36 1oqn h LEU 1152N 0.49 0.57 -0.55 1.44 -0.00 -1.15 -0.84 115.31 115.28 1oqn h LEU 1152Ca 0.07 -0.32 -0.08 0.00 -0.00 0.00 0.00 57.88 57.55 1oqn h LEU 1152Cb 0.70 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 1oqn h LEU 1152CO 0.05 1.03 0.02 0.44 -0.00 0.00 0.00 178.44 179.99 1oqn h ASP 1153N 0.38 0.92 -0.49 -0.43 3.45 -1.18 0.14 116.42 119.22 1oqn h ASP 1153Ca -0.00 -0.29 -0.09 0.00 0.43 0.00 0.00 57.03 57.07 1oqn h ASP 1153Cb 1.14 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.65 1oqn h ASP 1153CO 0.11 0.99 -0.05 -0.07 -1.57 0.00 0.00 179.24 178.65 1oqn h LEU 1154N 0.83 0.89 -0.80 1.55 3.38 -1.13 -0.41 115.31 119.63 1oqn h LEU 1154Ca 0.16 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1oqn h LEU 1154Cb 0.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1oqn h LEU 1154CO 0.02 1.01 0.16 -0.09 0.09 0.00 0.00 178.44 179.64 1oqn h ARG 1155N 0.76 1.06 -0.43 1.13 2.43 -0.97 -1.05 114.38 117.30 1oqn h ARG 1155Ca 0.13 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1oqn h ARG 1155Cb 0.59 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1oqn h ARG 1155CO 0.04 0.94 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.84 1oqn h ASP 1156N 1.01 0.81 0.44 -3.80 3.32 -0.32 -2.65 116.42 115.23 1oqn h ASP 1156Ca 0.21 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1oqn h ASP 1156Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1oqn h ASP 1156CO 0.00 0.97 -0.21 0.25 -1.72 0.00 0.00 179.24 178.53 1oqn h LEU 1157N 0.72 -0.50 -0.83 1.55 5.85 -0.62 -1.61 115.31 119.87 1oqn h LEU 1157Ca 0.11 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.05 1oqn h LEU 1157Cb 0.66 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.69 1oqn h LEU 1157CO 0.05 -0.30 0.26 -0.26 -0.34 0.00 0.00 178.44 177.85 1oqn h PHE 1158N -0.70 0.41 -0.56 1.25 0.04 -1.28 0.78 116.94 116.89 1oqn h PHE 1158Ca -0.06 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1oqn h PHE 1158Cb 0.45 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1oqn h PHE 1158CO 0.08 -0.10 0.34 0.37 -0.60 0.00 0.00 178.31 178.41 1oqn h GLN 1159N 0.30 0.75 -0.60 1.51 4.15 -1.46 -1.87 115.11 117.88 1oqn h GLN 1159Ca 0.50 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.78 1oqn h GLN 1159Cb 0.92 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1oqn h GLN 1159CO -0.55 0.53 0.07 1.25 -1.93 0.00 0.00 178.83 178.20 1oqn h LEU 1160N 0.75 0.98 -1.03 -2.39 7.12 0.09 -2.47 115.31 118.36 1oqn h LEU 1160Ca 0.20 -0.27 -0.09 0.00 0.13 0.00 0.00 57.88 57.85 1oqn h LEU 1160Cb -0.03 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.82 1oqn h LEU 1160CO -0.04 1.01 -0.29 0.40 -0.13 0.00 0.00 178.44 179.39 1oqn h ILE 1161N 0.92 1.27 -0.31 4.05 2.04 -0.83 -1.73 117.51 122.92 1oqn h ILE 1161Ca 0.18 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1oqn h ILE 1161Cb 0.46 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1oqn h ILE 1161CO 0.02 0.39 0.03 0.22 0.00 0.00 0.00 178.15 178.80 1oqn h TYR 1162N 0.30 0.57 0.21 1.37 3.20 -1.12 -0.50 116.97 121.00 1oqn h TYR 1162Ca 0.04 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1oqn h TYR 1162Cb 0.67 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1oqn h TYR 1162CO 0.02 0.63 -0.12 0.93 -1.64 0.00 0.00 178.16 177.98 1oqn h GLU 1163N 0.34 -0.30 -0.82 1.82 4.39 -1.21 -0.64 114.58 118.16 1oqn h GLU 1163Ca 0.09 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.89 1oqn h GLU 1163Cb 0.39 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1oqn h GLU 1163CO 0.01 -0.20 0.49 -0.07 -1.16 0.00 0.00 179.01 178.08 1oqn h LEU 1164N -0.31 0.73 -0.59 1.33 3.38 -1.24 -1.06 115.31 117.55 1oqn h LEU 1164Ca -0.02 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1oqn h LEU 1164Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1oqn h LEU 1164CO 0.03 0.45 -0.55 0.50 0.09 0.00 0.00 178.44 178.95 1oqn h LYS 1165N 0.86 0.43 -0.12 1.13 3.64 -0.91 0.10 116.57 121.71 1oqn h LYS 1165Ca 0.37 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1oqn h LYS 1165Cb 0.25 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1oqn h LYS 1165CO -0.20 0.87 0.03 0.37 -2.27 0.00 0.00 179.45 178.25 1oqn h GLN 1166N 0.33 0.19 -0.62 1.90 5.75 -0.43 -1.49 115.11 120.75 1oqn h GLN 1166Ca 0.00 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1oqn h GLN 1166Cb 1.07 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1oqn h GLN 1166CO 0.10 0.35 0.04 -0.09 -2.65 0.00 0.00 178.83 176.58 1oqn h ARG 1167N -0.01 1.06 -0.44 1.69 2.43 -1.17 -2.44 114.38 115.51 1oqn h ARG 1167Ca 0.04 -0.32 0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1oqn h ARG 1167Cb 0.25 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1oqn h ARG 1167CO 0.00 1.02 0.14 0.93 -1.51 0.00 0.00 179.97 180.55 1oqn h GLU 1168N 0.97 0.30 -0.12 0.20 3.07 -0.59 -2.35 114.58 116.05 1oqn h GLU 1168Ca 0.18 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1oqn h GLU 1168Cb 0.51 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1oqn h GLU 1168CO 0.02 0.20 0.03 0.93 -1.40 0.00 0.00 179.01 178.79 1oqn h GLU 1169N 0.31 0.19 -0.11 2.33 5.08 -1.09 0.61 114.58 121.90 1oqn h GLU 1169Ca 0.21 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1oqn h GLU 1169Cb 0.21 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1oqn h GLU 1169CO -0.22 0.37 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.90 1oqn h LEU 1170N -0.02 -0.63 0.11 1.33 -0.00 -1.20 -2.57 115.31 112.33 1oqn h LEU 1170Ca 0.04 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1oqn h LEU 1170Cb 0.27 0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1oqn h LEU 1170CO 0.00 -0.15 -0.05 1.05 -0.00 0.00 0.00 178.44 179.29 1oqn h GLU 1171N -0.16 -0.14 -0.57 1.13 4.11 -1.45 -1.77 114.58 115.74 1oqn h GLU 1171Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1oqn h GLU 1171Cb 0.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1oqn h GLU 1171CO -0.19 -0.07 0.00 1.17 0.07 0.00 0.00 179.01 179.99 1oqn n LYS 1172N -5.14 0.28 -0.43 1.06 4.81 0.21 0.42 118.16 119.37 1oqn n LYS 1172Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1oqn n LYS 1172Cb 0.09 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1oqn n LYS 1172CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1oqn n LYS 1173N 0.46 0.00 -0.68 1.64 4.81 -0.97 -4.88 118.16 118.54 1oqn n LYS 1173Ca 0.00 -0.03 0.01 0.00 -0.87 0.00 0.00 58.31 57.42 1oqn n LYS 1173Cb 0.08 -0.01 0.25 0.00 0.02 0.00 0.00 35.03 35.37 1oqn n LYS 1173CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1oqn n ALA 1174N 0.00 3.72 -0.20 3.14 0.00 0.17 -5.00 120.51 122.34 1oqn n ALA 1174Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1oqn n ALA 1174Cb 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1oqn n ALA 1174CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50