#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou n ARG 2 N 0.00 0.55 -2.83 0.03 0.63 -1.25 -4.07 116.66 109.71 2qou n ARG 2 Ca 0.00 0.21 -0.22 0.00 -0.92 0.00 0.00 57.85 56.92 2qou n ARG 2 Cb 0.00 -1.65 0.02 0.00 0.45 0.00 0.00 32.46 31.28 2qou n ARG 2 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2qou s HIS 3 N -1.65 3.09 -0.22 -0.14 3.76 -1.26 -2.54 115.29 116.32 2qou s HIS 3 Ca 0.67 0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 55.70 2qou s HIS 3 Cb -0.49 -2.49 0.12 0.00 1.11 0.00 0.00 32.58 30.83 2qou s HIS 3 CO 0.56 -0.56 0.39 0.71 -0.85 0.00 0.00 174.74 174.98 2qou s TYR 4 N -2.65 -0.80 -1.34 1.40 2.02 0.61 -1.92 117.35 114.67 2qou s TYR 4 Ca 0.52 1.06 -0.09 0.00 -0.37 0.00 0.00 57.07 58.19 2qou s TYR 4 Cb -0.10 0.11 -0.08 0.00 -0.40 0.00 0.00 41.96 41.49 2qou s TYR 4 CO 0.38 -0.63 2.97 -1.91 -1.57 0.00 0.00 175.55 174.79 2qou n GLU 5 N 5.37 3.58 -1.96 -0.62 2.13 -1.19 -1.43 120.64 126.52 2qou n GLU 5 Ca -0.05 -2.22 -0.39 0.00 0.66 0.00 0.00 57.16 55.16 2qou n GLU 5 Cb 0.50 -2.65 0.01 0.00 0.27 0.00 0.00 31.44 29.57 2qou n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qou s ILE 6 N 1.43 2.43 -0.22 6.31 1.10 -1.26 -3.82 121.20 127.18 2qou s ILE 6 Ca 0.67 0.35 -0.09 0.00 -0.51 0.00 0.00 60.65 61.08 2qou s ILE 6 Cb 0.20 -3.19 0.09 0.00 0.15 0.00 0.00 42.46 39.71 2qou s ILE 6 CO -0.06 0.02 0.48 0.54 -2.11 0.00 0.00 174.94 173.81 2qou s VAL 7 N -1.32 -0.54 0.03 4.00 0.11 -1.20 -1.99 120.40 119.49 2qou s VAL 7 Ca 0.64 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.85 2qou s VAL 7 Cb -0.38 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 2qou s VAL 7 CO 0.47 0.05 -0.16 0.72 -3.33 0.00 0.00 175.10 172.85 2qou s PHE 8 N 2.36 1.39 -0.25 1.54 -0.12 -0.73 -2.24 117.98 119.92 2qou s PHE 8 Ca -0.05 -0.34 -0.04 0.00 -0.05 0.00 0.00 56.93 56.46 2qou s PHE 8 Cb -0.11 -0.84 0.01 0.00 -0.63 0.00 0.00 43.02 41.45 2qou s PHE 8 CO -0.14 0.04 -0.02 0.00 -0.05 0.00 0.00 175.22 175.05 2qou s MET 9 N -0.99 3.10 0.20 1.99 0.23 -1.09 -1.60 119.30 121.13 2qou s MET 9 Ca 0.04 -0.82 -0.06 0.00 -1.03 0.00 0.00 55.69 53.82 2qou s MET 9 Cb -0.08 -3.10 -0.06 0.00 -1.53 0.00 0.00 34.83 30.06 2qou s MET 9 CO 0.01 -0.34 0.45 0.08 -2.03 0.00 0.00 175.02 173.20 2qou s VAL 10 N 1.43 5.08 0.26 5.16 1.01 0.13 -1.26 120.40 132.20 2qou s VAL 10 Ca 0.03 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2qou s VAL 10 Cb -0.16 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2qou s VAL 10 CO -0.02 -0.07 1.11 1.57 0.00 0.00 0.00 175.10 177.69 2qou n HIS 11 N -0.22 1.46 -0.06 5.22 -0.00 -0.76 -1.64 115.22 119.23 2qou n HIS 11 Ca -0.02 0.65 -0.07 0.00 -0.00 0.00 0.00 57.72 58.28 2qou n HIS 11 Cb 0.52 -2.29 -0.01 0.00 -0.00 0.00 0.00 29.99 28.21 2qou n HIS 11 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2qou h PRO 12 N 2.62 -0.12 -1.98 1.57 0.13 -1.92 -2.71 132.00 129.59 2qou h PRO 12 Ca -0.41 0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.53 2qou h PRO 12 Cb 1.33 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.42 2qou h PRO 12 CO 0.65 -0.08 -0.18 -0.25 -0.23 0.00 0.00 178.00 177.90 2qou n ASP 13 N -5.32 5.46 0.00 1.44 8.00 -1.26 -2.75 116.55 122.12 2qou n ASP 13 Ca -0.01 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.92 2qou n ASP 13 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 2qou n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qou n GLN 14 N 2.01 0.00 -0.36 -1.24 1.13 -1.02 -4.95 117.38 112.95 2qou n GLN 14 Ca 0.34 -0.18 0.33 0.00 -1.94 0.00 0.00 57.00 55.56 2qou n GLN 14 Cb 0.78 -0.26 0.59 0.00 0.11 0.00 0.00 30.24 31.46 2qou n GLN 14 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2qou n SER 15 N 0.00 0.27 -0.22 1.08 2.88 -1.11 -0.14 113.62 116.38 2qou n SER 15 Ca 0.00 1.45 0.15 0.00 -1.33 0.00 0.00 58.87 59.14 2qou n SER 15 Cb 0.42 -0.71 0.46 0.00 -0.75 0.00 0.00 64.21 63.64 2qou n SER 15 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2qou h GLU 16 N 0.00 0.50 0.00 -1.46 9.09 -1.92 0.24 114.58 121.03 2qou h GLU 16 Ca 0.81 -0.03 -0.10 0.00 0.05 0.00 0.00 59.36 60.09 2qou h GLU 16 Cb 2.34 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 29.31 2qou h GLU 16 CO -0.60 0.33 -0.47 1.96 0.05 0.00 0.00 179.01 180.28 2qou h GLN 17 N 0.51 0.00 -0.76 1.06 4.20 -0.96 -3.33 115.11 115.82 2qou h GLN 17 Ca 0.42 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.20 2qou h GLN 17 Cb 0.87 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.56 2qou h GLN 17 CO -0.16 0.47 -0.45 0.28 -0.67 0.00 0.00 178.83 178.29 2qou n VAL 18 N -3.71 -0.52 -0.20 -0.54 0.31 0.07 -0.17 118.33 113.57 2qou n VAL 18 Ca -0.01 2.09 -0.05 0.00 -0.01 0.00 0.00 64.34 66.36 2qou n VAL 18 Cb 0.54 -2.60 0.12 0.00 -0.91 0.00 0.00 33.84 30.98 2qou n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qou h PRO 19 N 0.00 1.01 0.07 5.55 0.13 -1.73 -2.77 132.00 134.27 2qou h PRO 19 Ca 0.12 -0.22 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2qou h PRO 19 Cb 0.31 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 2qou h PRO 19 CO -0.72 0.88 -0.14 0.78 -0.23 0.00 0.00 178.00 178.58 2qou h GLY 20 N 1.05 -0.24 0.28 1.56 0.00 -0.93 -2.06 103.07 102.73 2qou h GLY 20 Ca 0.21 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.78 2qou h GLY 20 CO -0.00 -0.14 -0.08 -0.33 0.00 0.00 0.00 176.54 175.99 2qou h MET 21 N -0.27 0.02 -0.10 4.80 2.86 -0.48 -2.71 114.93 119.05 2qou h MET 21 Ca 0.03 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2qou h MET 21 Cb 0.30 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 2qou h MET 21 CO -0.09 0.01 -0.51 0.82 1.06 0.00 0.00 176.91 178.20 2qou h ILE 22 N 0.02 0.04 -0.56 -1.22 2.04 -1.18 -0.75 117.51 115.89 2qou h ILE 22 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 2qou h ILE 22 Cb 0.27 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.28 2qou h ILE 22 CO -0.37 0.00 -0.14 -0.08 0.00 0.00 0.00 178.15 177.56 2qou h GLU 23 N -0.59 -0.00 0.44 2.37 4.81 -1.09 0.12 114.58 120.64 2qou h GLU 23 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2qou h GLU 23 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2qou h GLU 23 CO -0.41 -0.00 -0.21 0.00 -0.73 0.00 0.00 179.01 177.66 2qou h ARG 24 N -0.00 -0.57 0.31 1.92 3.08 -1.16 -0.58 114.38 117.38 2qou h ARG 24 Ca 0.27 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2qou h ARG 24 Cb 0.41 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2qou h ARG 24 CO -0.58 -0.36 -0.40 1.88 -1.07 0.00 0.00 179.97 179.44 2qou h TYR 25 N -0.62 -1.13 -0.82 3.04 0.99 -0.65 0.11 116.97 117.88 2qou h TYR 25 Ca -0.06 0.01 0.20 0.00 2.00 0.00 0.00 58.73 60.88 2qou h TYR 25 Cb 0.47 0.45 -0.12 0.00 1.00 0.00 0.00 36.73 38.53 2qou h TYR 25 CO -0.04 -0.51 0.25 1.79 -0.00 0.00 0.00 178.16 179.66 2qou h THR 26 N -0.73 0.45 0.75 -2.88 1.35 -0.81 -0.27 112.91 110.77 2qou h THR 26 Ca -0.04 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 2qou h THR 26 Cb 0.66 0.13 0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2qou h THR 26 CO -0.10 0.05 -0.36 0.00 -0.25 0.00 0.00 175.52 174.86 2qou h ALA 27 N 1.69 -1.01 -0.74 6.62 0.00 -0.63 -1.26 119.26 123.92 2qou h ALA 27 Ca 0.49 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.33 2qou h ALA 27 Cb 0.91 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 2qou h ALA 27 CO -0.56 -0.99 0.20 0.00 0.00 0.00 0.00 179.25 177.90 2qou h ALA 28 N -1.05 0.98 0.76 0.00 0.00 -0.20 0.90 119.26 120.65 2qou h ALA 28 Ca -0.10 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qou h ALA 28 Cb 0.79 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qou h ALA 28 CO 0.17 -0.33 -0.39 0.82 0.00 0.00 0.00 179.25 179.52 2qou h ILE 29 N 0.29 0.00 -0.64 0.00 2.04 -1.01 -0.77 117.51 117.42 2qou h ILE 29 Ca 0.42 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.31 2qou h ILE 29 Cb 0.72 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2qou h ILE 29 CO -0.50 0.00 0.39 0.74 0.00 0.00 0.00 178.15 178.78 2qou h THR 30 N -1.05 1.07 -0.03 -0.27 2.02 -0.74 -1.15 112.91 112.76 2qou h THR 30 Ca -0.10 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.82 2qou h THR 30 Cb 0.82 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2qou h THR 30 CO 0.15 0.14 0.03 1.23 0.37 0.00 0.00 175.52 177.44 2qou h GLY 31 N 0.77 0.00 -2.55 2.16 0.00 0.88 -0.71 103.07 103.62 2qou h GLY 31 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.45 2qou h GLY 31 CO -0.11 0.00 0.18 0.00 0.00 0.00 0.00 176.54 176.61 2qou n ALA 32 N -2.51 3.50 -2.72 3.60 0.00 -0.30 -4.80 120.51 117.28 2qou n ALA 32 Ca -0.02 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.26 2qou n ALA 32 Cb 0.12 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2qou n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qou n GLU 33 N -0.03 -3.19 0.00 0.00 -0.58 -0.29 -4.94 120.64 111.62 2qou n GLU 33 Ca 0.19 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.62 2qou n GLU 33 Cb 0.86 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.68 2qou n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qou n GLY 34 N -1.27 2.34 0.00 0.62 0.00 -0.54 -4.97 105.19 101.37 2qou n GLY 34 Ca -0.10 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2qou n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qou n LYS 35 N 0.00 0.00 -3.79 1.61 4.81 -1.24 -4.67 118.16 114.89 2qou n LYS 35 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 2qou n LYS 35 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2qou n LYS 35 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qou s ILE 36 N -1.39 5.16 -1.39 3.15 1.01 -1.26 -1.08 121.20 125.39 2qou s ILE 36 Ca 0.00 0.10 0.13 0.00 0.00 0.00 0.00 60.65 60.89 2qou s ILE 36 Cb 0.00 -3.37 0.26 0.00 0.01 0.00 0.00 42.46 39.37 2qou s ILE 36 CO 0.00 0.41 1.15 1.41 0.00 0.00 0.00 174.94 177.91 2qou n HIS 37 N 3.85 0.33 -3.62 3.97 8.25 -1.25 -4.96 115.22 121.79 2qou n HIS 37 Ca -0.16 -0.29 -0.02 0.00 -0.26 0.00 0.00 57.72 57.00 2qou n HIS 37 Cb 0.52 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 2qou n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qou s ARG 38 N -1.06 0.14 -0.30 -0.41 3.52 -1.16 -4.60 118.95 115.08 2qou s ARG 38 Ca 0.23 -0.06 -0.14 0.00 -0.13 0.00 0.00 55.73 55.63 2qou s ARG 38 Cb 0.13 0.06 0.18 0.00 -1.56 0.00 0.00 34.95 33.76 2qou s ARG 38 CO 0.19 -0.06 1.09 -1.17 -0.81 0.00 0.00 175.30 174.54 2qou s LEU 39 N -2.27 -0.37 -0.08 -0.88 1.98 -1.25 -4.23 118.68 111.58 2qou s LEU 39 Ca 0.12 0.23 0.01 0.00 -2.89 0.00 0.00 54.13 51.60 2qou s LEU 39 Cb 0.01 1.31 0.02 0.00 0.66 0.00 0.00 46.19 48.18 2qou s LEU 39 CO -0.04 -0.07 -0.11 -1.61 -1.89 0.00 0.00 176.35 172.64 2qou s GLU 40 N 2.96 1.64 -0.49 1.98 2.02 -1.26 -4.95 118.70 120.60 2qou s GLU 40 Ca -0.03 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.46 2qou s GLU 40 Cb -0.10 -1.47 0.10 0.00 0.10 0.00 0.00 34.13 32.76 2qou s GLU 40 CO -0.10 -0.08 0.40 0.34 0.02 0.00 0.00 175.26 175.85 2qou s ASP 41 N 1.02 6.02 0.05 -0.19 2.15 -1.26 -0.97 116.67 123.48 2qou s ASP 41 Ca -0.08 -1.60 0.12 0.00 0.43 0.00 0.00 52.55 51.43 2qou s ASP 41 Cb -0.15 -2.14 0.54 0.00 -0.30 0.00 0.00 42.92 40.87 2qou s ASP 41 CO -0.01 -0.71 1.39 0.79 -0.17 0.00 0.00 175.17 176.46 2qou n TRP 42 N 5.13 0.13 -4.57 -5.34 7.02 -1.11 -4.97 117.44 113.74 2qou n TRP 42 Ca -0.12 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 2qou n TRP 42 Cb 0.42 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 28.72 2qou n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qou n GLY 43 N -0.43 -0.05 2.93 6.99 0.00 -1.24 -4.05 105.19 109.34 2qou n GLY 43 Ca 0.02 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2qou n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qou n ARG 44 N 0.00 2.57 -1.69 1.61 0.63 -1.26 -2.04 116.66 116.49 2qou n ARG 44 Ca 0.00 -2.52 -0.31 0.00 -0.92 0.00 0.00 57.85 54.10 2qou n ARG 44 Cb 0.00 -3.25 0.05 0.00 0.45 0.00 0.00 32.46 29.70 2qou n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qou s ARG 45 N 3.79 2.97 0.65 -0.14 3.52 -0.96 -4.79 118.95 123.98 2qou s ARG 45 Ca 0.51 0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 56.76 2qou s ARG 45 Cb 0.12 -2.01 -0.01 0.00 -1.56 0.00 0.00 34.95 31.49 2qou s ARG 45 CO -0.02 -1.03 1.06 -1.14 -0.81 0.00 0.00 175.30 173.35 2qou s GLN 46 N -5.14 3.13 -0.14 5.12 2.00 -1.26 -2.50 119.66 120.87 2qou s GLN 46 Ca 0.58 1.06 0.00 0.00 -2.00 0.00 0.00 55.36 55.00 2qou s GLN 46 Cb -0.13 -2.01 -0.01 0.00 0.80 0.00 0.00 33.01 31.66 2qou s GLN 46 CO 0.54 -0.95 -0.15 -0.51 -0.50 0.00 0.00 175.29 173.72 2qou s LEU 47 N -5.05 2.55 0.00 3.68 1.43 0.40 -4.81 118.68 116.88 2qou s LEU 47 Ca 0.60 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2qou s LEU 47 Cb -0.15 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2qou s LEU 47 CO 0.46 0.13 0.23 0.00 0.23 0.00 0.00 176.35 177.40 2qou n ALA 48 N 3.78 0.00 -2.13 4.21 0.00 -1.26 -4.72 120.51 120.40 2qou n ALA 48 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 2qou n ALA 48 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2qou n ALA 48 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2qou s TYR 49 N -0.46 3.68 -0.90 0.00 1.13 -1.26 -4.97 117.35 114.56 2qou s TYR 49 Ca 0.00 1.37 -0.25 0.00 -1.41 0.00 0.00 57.07 56.78 2qou s TYR 49 Cb 0.00 -2.60 -0.05 0.00 -1.10 0.00 0.00 41.96 38.21 2qou s TYR 49 CO 0.00 0.38 1.98 -1.25 -2.51 0.00 0.00 175.55 174.15 2qou s PRO 50 N -1.84 2.49 -0.75 -3.49 0.04 -1.26 -4.90 135.00 125.28 2qou s PRO 50 Ca 0.41 -0.26 -0.26 0.00 0.04 0.00 0.00 61.00 60.93 2qou s PRO 50 Cb -0.17 -5.05 -0.02 0.00 0.04 0.00 0.00 34.50 29.30 2qou s PRO 50 CO 0.21 -3.47 1.81 -1.50 0.04 0.00 0.00 177.00 174.09 2qou s ILE 51 N 10.43 3.45 -0.72 0.56 2.07 -1.26 -4.05 121.20 131.69 2qou s ILE 51 Ca 0.72 -0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.84 2qou s ILE 51 Cb -0.07 -4.12 0.01 0.00 0.13 0.00 0.00 42.46 38.41 2qou s ILE 51 CO 0.00 -1.07 0.64 -3.20 -1.91 0.00 0.00 174.94 169.40 2qou n ASN 52 N 12.64 -5.87 -0.99 4.50 5.15 -1.26 -4.68 115.26 124.75 2qou n ASN 52 Ca 0.26 -0.52 0.12 0.00 -0.60 0.00 0.00 54.58 53.85 2qou n ASN 52 Cb 0.50 -2.78 -0.05 0.00 -0.53 0.00 0.00 39.78 36.92 2qou n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qou n LYS 53 N -1.85 -2.20 -1.75 1.20 4.76 -1.26 -5.05 118.16 112.02 2qou n LYS 53 Ca -0.18 1.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.96 2qou n LYS 53 Cb 0.63 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 2qou n LYS 53 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qou n LEU 54 N -3.71 -5.73 -1.02 -0.35 7.99 -1.26 -4.89 117.00 108.03 2qou n LEU 54 Ca -0.04 2.86 0.09 0.00 -0.01 0.00 0.00 56.01 58.91 2qou n LEU 54 Cb 0.47 -2.75 0.24 0.00 -0.11 0.00 0.00 43.42 41.26 2qou n LEU 54 CO 0.02 -1.04 0.70 1.41 -1.51 0.00 0.00 177.39 176.97 2qou n HIS 55 N 1.02 0.69 -3.92 -1.77 8.25 -1.26 -4.19 115.22 114.05 2qou n HIS 55 Ca 0.00 -0.45 -0.10 0.00 -0.26 0.00 0.00 57.72 56.90 2qou n HIS 55 Cb 0.00 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 30.99 2qou n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qou s LYS 56 N -1.05 0.36 0.00 -0.41 3.01 -1.26 -0.46 119.74 119.94 2qou s LYS 56 Ca 0.37 -0.46 -0.27 0.00 -1.01 0.00 0.00 55.97 54.59 2qou s LYS 56 Cb 0.19 0.14 0.06 0.00 -1.01 0.00 0.00 37.83 37.22 2qou s LYS 56 CO 0.26 -0.07 0.62 0.00 0.51 0.00 0.00 175.35 176.66 2qou s ALA 57 N -1.30 -1.60 0.04 5.17 0.00 -1.04 -4.09 121.76 118.93 2qou s ALA 57 Ca -0.14 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 2qou s ALA 57 Cb -0.08 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 2qou s ALA 57 CO 0.00 -0.45 0.73 -1.58 0.00 0.00 0.00 175.76 174.47 2qou s HIS 58 N -1.80 3.73 0.22 0.00 2.46 -0.65 -2.27 115.29 116.97 2qou s HIS 58 Ca -0.08 1.42 0.10 0.00 0.47 0.00 0.00 55.06 56.96 2qou s HIS 58 Cb -0.01 -2.78 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 2qou s HIS 58 CO 0.04 0.29 -0.09 0.71 -2.47 0.00 0.00 174.74 173.22 2qou s TYR 59 N -0.08 2.59 -0.05 3.88 1.51 -0.86 0.18 117.35 124.51 2qou s TYR 59 Ca 0.37 -0.24 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 2qou s TYR 59 Cb -0.20 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2qou s TYR 59 CO 0.22 0.56 0.28 0.08 -1.11 0.00 0.00 175.55 175.59 2qou s VAL 60 N -1.96 0.04 0.00 0.71 1.01 -0.63 -2.73 120.40 116.84 2qou s VAL 60 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2qou s VAL 60 Cb -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2qou s VAL 60 CO 0.16 -0.17 0.00 0.18 0.00 0.00 0.00 175.10 175.27 2qou n LEU 61 N 1.95 0.00 0.00 3.92 7.99 -0.15 -1.78 117.00 128.93 2qou n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 2qou n LEU 61 Cb 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 2qou n LEU 61 CO 0.20 0.00 0.00 0.80 -1.51 0.00 0.00 177.39 176.88 2qou n MET 62 N 0.00 0.00 -2.10 3.23 1.56 -0.84 -4.61 117.12 114.36 2qou n MET 62 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.23 2qou n MET 62 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 2qou n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qou n ASN 63 N -0.77 -5.61 -4.74 6.12 4.13 -0.52 -2.96 115.26 110.91 2qou n ASN 63 Ca 0.00 0.16 -0.34 0.00 1.68 0.00 0.00 54.58 56.08 2qou n ASN 63 Cb 0.00 -4.72 0.08 0.00 -1.54 0.00 0.00 39.78 33.60 2qou n ASN 63 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qou s VAL 64 N -2.91 2.69 -0.69 2.41 1.01 -0.97 -3.77 120.40 118.16 2qou s VAL 64 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.34 2qou s VAL 64 Cb 0.00 -2.85 0.17 0.00 0.00 0.00 0.00 36.38 33.70 2qou s VAL 64 CO 0.00 -0.19 0.49 -0.70 0.00 0.00 0.00 175.10 174.69 2qou s GLU 65 N -4.02 2.48 0.16 2.72 2.12 -0.25 -0.28 118.70 121.63 2qou s GLU 65 Ca 0.71 -3.20 0.02 0.00 0.36 0.00 0.00 54.97 52.85 2qou s GLU 65 Cb -0.25 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2qou s GLU 65 CO 0.44 -1.25 -0.01 0.00 -0.54 0.00 0.00 175.26 173.90 2qou s ALA 66 N -1.22 1.29 0.49 6.30 0.00 -1.05 -3.61 121.76 123.95 2qou s ALA 66 Ca 0.24 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.41 2qou s ALA 66 Cb -0.09 0.48 -0.07 0.00 0.00 0.00 0.00 23.12 23.44 2qou s ALA 66 CO -0.13 -0.30 1.34 -1.25 0.00 0.00 0.00 175.76 175.41 2qou s PRO 67 N -3.90 3.51 0.27 0.00 0.04 -1.26 -3.87 135.00 129.79 2qou s PRO 67 Ca 0.22 2.20 -0.06 0.00 0.04 0.00 0.00 61.00 63.39 2qou s PRO 67 Cb 0.06 -2.46 0.50 0.00 0.04 0.00 0.00 34.50 32.63 2qou s PRO 67 CO 0.02 -0.88 1.58 -0.56 0.04 0.00 0.00 177.00 177.20 2qou h GLN 68 N 1.97 0.02 -0.26 4.56 -0.00 -1.97 -2.47 115.11 116.95 2qou h GLN 68 Ca -0.50 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.17 2qou h GLN 68 Cb 1.27 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.72 2qou h GLN 68 CO 0.60 0.01 -0.16 -1.91 -0.00 0.00 0.00 178.83 177.37 2qou n GLU 69 N -5.53 -0.12 -0.24 0.06 2.13 -1.26 0.13 120.64 115.82 2qou n GLU 69 Ca 0.16 1.12 0.01 0.00 0.66 0.00 0.00 57.16 59.10 2qou n GLU 69 Cb 0.54 -1.66 0.08 0.00 0.27 0.00 0.00 31.44 30.66 2qou n GLU 69 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2qou h VAL 70 N 0.00 0.32 -0.02 6.31 -1.51 -1.81 0.14 116.25 119.68 2qou h VAL 70 Ca 0.04 -0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.34 2qou h VAL 70 Cb 0.11 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.56 2qou h VAL 70 CO -0.25 0.00 -0.74 0.16 -1.23 0.00 0.00 177.57 175.51 2qou h ILE 71 N 0.01 1.47 -0.66 7.19 3.07 -1.43 -2.97 117.51 124.18 2qou h ILE 71 Ca 0.33 -2.38 0.11 0.00 1.55 0.00 0.00 64.86 64.48 2qou h ILE 71 Cb 0.52 2.28 -0.08 0.00 -0.27 0.00 0.00 36.82 39.27 2qou h ILE 71 CO -0.70 0.69 0.23 -0.78 -1.05 0.00 0.00 178.15 176.54 2qou h ASP 72 N 0.09 0.20 -0.39 2.16 3.58 0.38 1.56 116.42 123.99 2qou h ASP 72 Ca -0.02 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2qou h ASP 72 Cb 1.31 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.43 2qou h ASP 72 CO 0.11 0.10 0.24 -0.33 -2.88 0.00 0.00 179.24 176.48 2qou h GLU 73 N 0.39 0.53 0.13 0.28 4.39 -1.12 -2.94 114.58 116.24 2qou h GLU 73 Ca 0.35 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2qou h GLU 73 Cb 0.48 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2qou h GLU 73 CO -0.36 0.38 -0.09 1.25 -1.16 0.00 0.00 179.01 179.03 2qou h LEU 74 N 0.51 -0.24 -1.66 1.33 5.85 -0.32 -2.41 115.31 118.38 2qou h LEU 74 Ca 0.14 0.02 0.42 0.00 0.84 0.00 0.00 57.88 59.30 2qou h LEU 74 Cb -0.01 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 2qou h LEU 74 CO -0.03 -0.15 0.95 -0.33 -0.34 0.00 0.00 178.44 178.54 2qou h GLU 75 N -0.23 0.09 0.13 1.25 5.08 0.22 0.13 114.58 121.26 2qou h GLU 75 Ca -0.01 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 2qou h GLU 75 Cb 0.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2qou h GLU 75 CO 0.00 0.06 -1.78 1.79 -1.00 0.00 0.00 179.01 178.08 2qou h THR 76 N 0.09 0.87 -0.82 1.13 1.35 -1.45 -3.37 112.91 110.72 2qou h THR 76 Ca 0.76 -2.54 0.19 0.00 -0.55 0.00 0.00 66.41 64.27 2qou h THR 76 Cb 2.62 2.64 -0.12 0.00 -1.73 0.00 0.00 68.15 71.56 2qou h THR 76 CO -0.22 0.83 0.26 0.71 -0.25 0.00 0.00 175.52 176.85 2qou h THR 77 N 0.08 0.47 -0.42 6.82 1.35 -0.25 0.61 112.91 121.57 2qou h THR 77 Ca -0.34 -0.11 0.12 0.00 -0.55 0.00 0.00 66.41 65.53 2qou h THR 77 Cb 2.05 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2qou h THR 77 CO 0.14 0.06 0.39 -0.26 -0.25 0.00 0.00 175.52 175.59 2qou h PHE 78 N 0.31 0.00 -0.07 4.73 0.05 -1.66 0.35 116.94 120.65 2qou h PHE 78 Ca 0.49 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 62.03 2qou h PHE 78 Cb 0.90 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.86 2qou h PHE 78 CO -0.22 0.00 -0.92 0.00 -0.18 0.00 0.00 178.31 176.99 2qou h ARG 79 N 0.00 0.74 -0.07 1.51 2.47 0.04 -3.15 114.38 115.92 2qou h ARG 79 Ca 0.20 -0.71 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2qou h ARG 79 Cb 0.97 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2qou h ARG 79 CO -0.00 1.29 0.00 1.19 0.56 0.00 0.00 179.97 183.01 2qou n PHE 80 N -3.90 0.07 -2.89 3.04 3.72 -0.26 -4.46 117.46 112.78 2qou n PHE 80 Ca -0.09 -0.04 -0.43 0.00 -0.05 0.00 0.00 57.45 56.84 2qou n PHE 80 Cb 0.82 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.37 2qou n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2qou n ASN 81 N 0.49 6.26 -0.54 4.37 2.85 0.11 -4.86 115.26 123.94 2qou n ASN 81 Ca 0.18 -3.38 0.41 0.00 -0.11 0.00 0.00 54.58 51.68 2qou n ASN 81 Cb 0.41 -1.30 0.63 0.00 1.24 0.00 0.00 39.78 40.76 2qou n ASN 81 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qou n ASP 82 N 1.66 0.01 -0.08 1.20 10.43 -1.26 -0.44 116.55 128.07 2qou n ASP 82 Ca 0.29 0.79 -0.07 0.00 2.57 0.00 0.00 54.79 58.37 2qou n ASP 82 Cb 0.33 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 42.90 2qou n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qou h ALA 83 N 0.79 0.29 -2.36 2.24 0.00 -1.91 -3.44 119.26 114.87 2qou h ALA 83 Ca 0.73 0.08 -0.47 0.00 0.00 0.00 0.00 54.91 55.25 2qou h ALA 83 Cb 2.90 0.13 0.07 0.00 0.00 0.00 0.00 17.79 20.89 2qou h ALA 83 CO -0.03 -0.39 0.27 0.54 0.00 0.00 0.00 179.25 179.64 2qou s VAL 84 N -6.18 2.95 0.00 0.00 0.11 0.42 -1.82 120.40 115.87 2qou s VAL 84 Ca -0.13 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2qou s VAL 84 Cb 0.12 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 2qou s VAL 84 CO 0.70 -0.28 0.00 -0.38 -3.33 0.00 0.00 175.10 171.81 2qou n ILE 85 N -2.87 0.00 -1.76 7.04 5.41 -0.39 -4.77 119.36 122.02 2qou n ILE 85 Ca 0.07 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.40 2qou n ILE 85 Cb 0.59 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.51 2qou n ILE 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2qou n ARG 86 N 0.00 2.66 -4.28 0.38 1.74 -1.26 -4.85 116.66 111.05 2qou n ARG 86 Ca 0.00 0.94 -0.21 0.00 -0.77 0.00 0.00 57.85 57.81 2qou n ARG 86 Cb 0.00 -2.68 -0.16 0.00 -1.02 0.00 0.00 32.46 28.60 2qou n ARG 86 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qou s SER 87 N 0.08 1.11 0.44 0.55 0.15 -1.26 -2.68 113.70 112.08 2qou s SER 87 Ca 0.57 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.10 2qou s SER 87 Cb -0.49 -0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 63.28 2qou s SER 87 CO 0.59 -0.02 0.01 -0.32 1.20 0.00 0.00 173.24 174.70 2qou s MET 88 N 0.73 2.02 -0.30 5.44 1.75 -0.95 -5.04 119.30 122.95 2qou s MET 88 Ca -0.11 -2.20 -0.11 0.00 -1.25 0.00 0.00 55.69 52.02 2qou s MET 88 Cb -0.14 -1.52 0.16 0.00 2.84 0.00 0.00 34.83 36.18 2qou s MET 88 CO 0.01 -0.18 0.85 0.54 -0.65 0.00 0.00 175.02 175.59 2qou s VAL 89 N -2.82 -0.67 0.67 10.11 0.11 -1.26 -3.26 120.40 123.27 2qou s VAL 89 Ca 0.25 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 2qou s VAL 89 Cb 0.07 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 34.04 2qou s VAL 89 CO 0.13 0.00 0.92 -0.32 -3.33 0.00 0.00 175.10 172.50 2qou s MET 90 N 2.72 1.88 0.00 1.54 1.75 -1.25 -4.90 119.30 121.04 2qou s MET 90 Ca 0.02 -1.43 0.00 0.00 -1.25 0.00 0.00 55.69 53.03 2qou s MET 90 Cb -0.10 -2.47 0.00 0.00 2.84 0.00 0.00 34.83 35.10 2qou s MET 90 CO -0.17 -1.25 0.00 2.89 -0.65 0.00 0.00 175.02 175.83 2qou n ARG 91 N -2.60 3.44 0.00 4.11 1.85 -1.26 -3.18 116.66 119.01 2qou n ARG 91 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 2qou n ARG 91 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 2qou n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qou n THR 92 N 0.00 0.00 -0.94 8.89 -1.04 -0.81 -3.28 114.28 117.10 2qou n THR 92 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2qou n THR 92 Cb 0.00 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 2qou n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qou n LYS 93 N 0.00 -0.77 -1.41 -2.82 5.02 -1.26 -4.35 118.16 112.57 2qou n LYS 93 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2qou n LYS 93 Cb 0.00 -3.89 0.00 0.00 -0.02 0.00 0.00 35.03 31.12 2qou n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qou n HIS 94 N -2.38 -1.66 -0.71 2.13 8.25 -1.26 -4.94 115.22 114.66 2qou n HIS 94 Ca 0.00 0.99 -0.24 0.00 -0.26 0.00 0.00 57.72 58.21 2qou n HIS 94 Cb 0.19 -2.63 -0.01 0.00 1.12 0.00 0.00 29.99 28.67 2qou n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qou n ALA 95 N 0.63 -2.05 -3.00 -1.41 0.00 -1.26 -5.00 120.51 108.41 2qou n ALA 95 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2qou n ALA 95 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2qou n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qou n VAL 96 N -0.18 0.00 -3.77 0.00 0.31 -1.26 -5.15 118.33 108.29 2qou n VAL 96 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.39 2qou n VAL 96 Cb 0.16 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.08 2qou n VAL 96 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qou s THR 97 N 0.97 0.00 0.00 2.52 -4.23 -1.26 -4.61 115.64 109.04 2qou s THR 97 Ca 0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2qou s THR 97 Cb 0.00 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2qou s THR 97 CO 0.00 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.24 2qou n GLU 98 N -0.53 0.00 0.00 3.99 0.00 -1.26 -4.89 120.64 117.95 2qou n GLU 98 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 2qou n GLU 98 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 2qou n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qou n ALA 99 N 3.68 0.00 -0.88 -1.84 0.00 -1.26 -5.09 120.51 115.12 2qou n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qou n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qou n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93