#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou s ILE 6 N 0.00 0.67 0.53 8.89 1.01 -0.46 -4.53 121.20 127.31 2qou s ILE 6 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.68 2qou s ILE 6 Cb 0.00 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 2qou s ILE 6 CO 0.00 -0.30 1.12 -0.13 0.00 0.00 0.00 174.94 175.63 2qou s ARG 7 N 1.78 3.44 -0.43 2.79 1.81 -0.89 -1.86 118.95 125.58 2qou s ARG 7 Ca 0.01 1.58 0.07 0.00 -1.72 0.00 0.00 55.73 55.67 2qou s ARG 7 Cb -0.17 -2.03 0.26 0.00 -0.45 0.00 0.00 34.95 32.56 2qou s ARG 7 CO -0.12 -0.77 0.74 -0.89 -0.68 0.00 0.00 175.30 173.58 2qou n ILE 8 N -1.22 -0.31 -2.92 1.52 -0.00 -1.25 -3.59 119.36 111.59 2qou n ILE 8 Ca 0.11 -2.84 -0.41 0.00 -0.00 0.00 0.00 62.75 59.61 2qou n ILE 8 Cb 0.51 -0.12 -0.04 0.00 -0.00 0.00 0.00 39.64 39.99 2qou n ILE 8 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qou s ARG 9 N -0.42 4.22 -0.00 0.38 1.81 -1.26 -3.74 118.95 119.93 2qou s ARG 9 Ca 0.33 0.92 0.08 0.00 -1.72 0.00 0.00 55.73 55.34 2qou s ARG 9 Cb 0.22 -3.62 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 2qou s ARG 9 CO -0.16 -0.43 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.28 2qou s LEU 10 N 2.54 2.07 -0.07 2.53 1.43 -0.80 -1.37 118.68 125.00 2qou s LEU 10 Ca 0.35 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2qou s LEU 10 Cb -0.16 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2qou s LEU 10 CO 0.09 0.28 0.02 -0.54 0.23 0.00 0.00 176.35 176.44 2qou s LYS 11 N -0.71 0.40 0.21 1.70 1.02 0.13 -1.96 119.74 120.52 2qou s LYS 11 Ca 0.10 0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.26 2qou s LYS 11 Cb -0.09 -0.95 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 2qou s LYS 11 CO -0.00 -0.34 0.01 0.00 -0.92 0.00 0.00 175.35 174.09 2qou s ALA 12 N 2.03 1.61 -2.14 5.17 0.00 0.24 -1.41 121.76 127.26 2qou s ALA 12 Ca 0.05 -1.70 0.26 0.00 0.00 0.00 0.00 51.96 50.57 2qou s ALA 12 Cb -0.13 0.56 0.65 0.00 0.00 0.00 0.00 23.12 24.20 2qou s ALA 12 CO -0.05 -0.30 1.50 1.19 0.00 0.00 0.00 175.76 178.11 2qou n PHE 13 N -0.35 0.00 -3.72 0.00 0.99 -1.26 -0.02 117.46 113.11 2qou n PHE 13 Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.26 2qou n PHE 13 Cb 0.64 -0.05 -0.09 0.00 -1.00 0.00 0.00 39.48 38.97 2qou n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qou s ASP 14 N -2.31 -0.40 0.33 4.37 1.47 -1.26 -4.46 116.67 114.42 2qou s ASP 14 Ca 0.27 0.65 0.03 0.00 1.18 0.00 0.00 52.55 54.69 2qou s ASP 14 Cb 0.20 0.70 0.63 0.00 -0.34 0.00 0.00 42.92 44.11 2qou s ASP 14 CO 0.45 -0.26 1.92 1.12 0.68 0.00 0.00 175.17 179.08 2qou h HIS 15 N 4.86 0.93 0.00 2.11 2.07 -1.92 -3.10 115.15 120.10 2qou h HIS 15 Ca -0.28 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 2qou h HIS 15 Cb 1.18 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.85 2qou h HIS 15 CO 0.43 0.48 0.00 0.54 -3.07 0.00 0.00 177.93 176.31 2qou n ARG 16 N -4.49 0.00 -0.55 5.12 1.74 -1.26 0.15 116.66 117.36 2qou n ARG 16 Ca 0.13 0.36 0.45 0.00 -0.77 0.00 0.00 57.85 58.01 2qou n ARG 16 Cb 0.23 -1.18 0.73 0.00 -1.02 0.00 0.00 32.46 31.23 2qou n ARG 16 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qou h LEU 17 N 0.00 0.13 0.06 0.55 7.12 -1.96 -1.24 115.31 119.96 2qou h LEU 17 Ca 0.00 0.09 -0.28 0.00 0.13 0.00 0.00 57.88 57.83 2qou h LEU 17 Cb 0.00 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 2qou h LEU 17 CO 0.00 -0.15 -1.51 -0.29 -0.13 0.00 0.00 178.44 176.36 2qou h ILE 18 N 0.01 0.85 -0.91 4.05 2.10 -1.41 -2.82 117.51 119.38 2qou h ILE 18 Ca 0.89 -2.26 0.21 0.00 1.08 0.00 0.00 64.86 64.78 2qou h ILE 18 Cb 3.14 2.40 -0.07 0.00 -1.09 0.00 0.00 36.82 41.20 2qou h ILE 18 CO -0.29 0.56 0.60 0.44 -1.08 0.00 0.00 178.15 178.39 2qou h ASP 19 N -0.56 0.39 0.00 2.19 3.45 0.26 0.16 116.42 122.32 2qou h ASP 19 Ca -0.36 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.14 2qou h ASP 19 Cb 1.60 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 2qou h ASP 19 CO -0.07 0.15 -0.00 -0.61 -1.57 0.00 0.00 179.24 177.14 2qou h GLN 20 N 0.39 -0.00 -0.11 3.56 4.15 -1.58 -3.25 115.11 118.26 2qou h GLN 20 Ca 0.48 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.93 2qou h GLN 20 Cb 1.22 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 2qou h GLN 20 CO -0.18 0.92 0.33 0.00 -1.93 0.00 0.00 178.83 177.97 2qou h ALA 21 N -0.03 1.54 -0.05 3.38 0.00 -1.01 -1.81 119.26 121.27 2qou h ALA 21 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qou h ALA 21 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qou h ALA 21 CO 0.00 -0.38 0.00 2.41 0.00 0.00 0.00 179.25 181.28 2qou n THR 22 N -3.17 0.00 -0.34 0.00 -1.04 0.48 -3.64 114.28 106.56 2qou n THR 22 Ca 0.00 0.98 0.23 0.00 -2.04 0.00 0.00 64.05 63.22 2qou n THR 22 Cb 0.41 -1.97 0.50 0.00 -1.82 0.00 0.00 70.33 67.45 2qou n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qou h ALA 23 N -2.00 2.19 -1.41 2.41 0.00 -1.53 0.25 119.26 119.17 2qou h ALA 23 Ca 0.00 0.08 0.43 0.00 0.00 0.00 0.00 54.91 55.42 2qou h ALA 23 Cb 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 2qou h ALA 23 CO 0.00 -0.63 0.95 1.49 0.00 0.00 0.00 179.25 181.06 2qou h GLU 24 N 0.40 0.09 0.01 0.00 4.81 -1.40 0.34 114.58 118.82 2qou h GLU 24 Ca 0.63 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 59.50 2qou h GLU 24 Cb 1.56 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.86 2qou h GLU 24 CO -0.35 0.06 -2.22 -0.89 -0.73 0.00 0.00 179.01 174.88 2qou n ILE 25 N -4.45 1.49 0.07 2.32 5.41 0.84 -3.96 119.36 121.09 2qou n ILE 25 Ca 0.36 -0.78 -0.03 0.00 1.00 0.00 0.00 62.75 63.30 2qou n ILE 25 Cb 1.46 -0.87 -0.01 0.00 -0.71 0.00 0.00 39.64 39.51 2qou n ILE 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2qou h VAL 26 N 0.01 0.00 -1.00 1.39 2.07 0.05 0.13 116.25 118.89 2qou h VAL 26 Ca -0.49 -0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.28 2qou h VAL 26 Cb 2.12 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.76 2qou h VAL 26 CO 0.02 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.12 2qou h GLU 27 N -0.19 0.54 -0.13 1.57 4.81 -1.28 -0.68 114.58 119.22 2qou h GLU 27 Ca -0.02 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 2qou h GLU 27 Cb 0.15 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2qou h GLU 27 CO 0.03 0.36 -0.62 1.79 -0.73 0.00 0.00 179.01 179.84 2qou h THR 28 N 0.56 1.35 0.00 0.32 1.35 -1.66 -3.07 112.91 111.75 2qou h THR 28 Ca 0.65 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2qou h THR 28 Cb 1.25 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 2qou h THR 28 CO -0.49 0.59 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 2qou n ALA 29 N -2.51 2.10 0.09 6.62 0.00 0.44 -3.08 120.51 124.17 2qou n ALA 29 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.36 2qou n ALA 29 Cb 0.64 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 2qou n ALA 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qou h LYS 30 N 0.00 0.00 -1.03 0.00 1.57 -1.33 -3.24 116.57 112.54 2qou h LYS 30 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2qou h LYS 30 Cb 0.43 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.53 2qou h LYS 30 CO 0.00 0.31 0.46 -2.13 -0.57 0.00 0.00 179.45 177.53 2qou n ARG 31 N -3.00 1.88 0.00 3.15 0.63 -1.18 -4.16 116.66 113.98 2qou n ARG 31 Ca -0.03 -2.07 0.00 0.00 -0.92 0.00 0.00 57.85 54.83 2qou n ARG 31 Cb 0.74 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.84 2qou n ARG 31 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2qou n THR 32 N -0.58 0.00 0.00 5.15 5.66 -1.25 -5.06 114.28 118.19 2qou n THR 32 Ca 0.41 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.41 2qou n THR 32 Cb 1.24 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 2qou n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qou n GLY 33 N 0.93 -2.06 0.00 1.09 0.00 -1.22 -4.69 105.19 99.23 2qou n GLY 33 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2qou n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qou n ALA 34 N 0.00 -0.40 0.31 4.61 0.00 -1.25 -4.78 120.51 119.00 2qou n ALA 34 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qou n ALA 34 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 2qou n ALA 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2qou h GLN 35 N 0.00 0.00 -2.64 0.00 3.07 -1.88 -3.42 115.11 110.24 2qou h GLN 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qou h GLN 35 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2qou h GLN 35 CO 0.00 0.00 -0.65 0.28 0.09 0.00 0.00 178.83 178.55 2qou n VAL 36 N -2.92 -4.09 -1.33 1.86 0.31 -1.26 -4.81 118.33 106.10 2qou n VAL 36 Ca 0.03 1.71 -0.09 0.00 -0.01 0.00 0.00 64.34 65.98 2qou n VAL 36 Cb 0.41 -2.37 0.21 0.00 -0.91 0.00 0.00 33.84 31.18 2qou n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qou n ARG 37 N -0.89 2.17 -1.09 5.55 3.00 -0.19 -4.79 116.66 120.42 2qou n ARG 37 Ca 0.00 -3.11 0.00 0.00 -0.00 0.00 0.00 57.85 54.74 2qou n ARG 37 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 30.51 2qou n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qou n GLY 38 N -1.02 -3.86 3.64 5.14 0.00 -1.26 -4.81 105.19 103.03 2qou n GLY 38 Ca 0.40 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2qou n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qou s PRO 39 N -4.74 4.00 -0.04 1.61 0.04 -1.26 -3.75 135.00 130.86 2qou s PRO 39 Ca 0.00 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 2qou s PRO 39 Cb 0.00 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 2qou s PRO 39 CO 0.00 -1.02 0.42 0.42 0.04 0.00 0.00 177.00 176.86 2qou s ILE 40 N 4.26 5.08 -0.11 0.56 1.09 -1.26 -4.69 121.20 126.13 2qou s ILE 40 Ca 0.59 0.86 -0.28 0.00 -1.10 0.00 0.00 60.65 60.72 2qou s ILE 40 Cb -0.20 -3.74 -0.24 0.00 -1.06 0.00 0.00 42.46 37.22 2qou s ILE 40 CO 0.22 0.50 0.90 1.55 -0.10 0.00 0.00 174.94 178.01 2qou h PRO 41 N 5.34 -0.00 -2.67 2.79 0.13 -1.94 0.13 132.00 135.78 2qou h PRO 41 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qou h PRO 41 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qou h PRO 41 CO 0.66 0.85 -0.61 -0.11 -0.23 0.00 0.00 178.00 178.55 2qou n LEU 42 N -4.68 -4.85 -4.64 1.56 7.94 -1.26 -4.02 117.00 107.05 2qou n LEU 42 Ca -0.09 2.10 -0.43 0.00 -1.11 0.00 0.00 56.01 56.47 2qou n LEU 42 Cb 0.41 -1.71 -0.03 0.00 0.53 0.00 0.00 43.42 42.62 2qou n LEU 42 CO 0.33 -0.46 1.67 -0.81 -1.11 0.00 0.00 177.39 177.02 2qou n PRO 43 N 0.23 2.54 -2.44 1.96 -0.04 -1.26 -4.72 135.00 131.26 2qou n PRO 43 Ca 0.00 0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 63.92 2qou n PRO 43 Cb 0.00 -3.04 -0.04 0.00 -0.04 0.00 0.00 33.50 30.38 2qou n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qou s THR 44 N 5.58 3.76 -0.21 0.52 2.01 -1.26 -5.01 115.64 121.03 2qou s THR 44 Ca 0.93 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 64.28 2qou s THR 44 Cb -0.43 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 2qou s THR 44 CO 0.41 0.23 0.24 -0.13 -0.69 0.00 0.00 174.62 174.68 2qou s ARG 45 N -0.16 4.14 -0.17 4.92 0.52 -1.25 -4.96 118.95 121.98 2qou s ARG 45 Ca 0.52 -0.08 -0.04 0.00 -0.52 0.00 0.00 55.73 55.60 2qou s ARG 45 Cb -0.31 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 2qou s ARG 45 CO 0.35 0.08 -0.02 -1.59 0.02 0.00 0.00 175.30 174.14 2qou s LYS 46 N 0.98 3.65 -0.17 3.54 -2.85 -1.26 -3.46 119.74 120.16 2qou s LYS 46 Ca 0.12 -0.52 -0.08 0.00 -1.00 0.00 0.00 55.97 54.49 2qou s LYS 46 Cb -0.13 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 32.61 2qou s LYS 46 CO 0.05 0.14 0.10 -1.21 0.10 0.00 0.00 175.35 174.53 2qou s GLU 47 N 0.64 3.93 0.34 1.78 8.01 -1.06 -4.90 118.70 127.44 2qou s GLU 47 Ca -0.02 -0.25 0.09 0.00 0.01 0.00 0.00 54.97 54.80 2qou s GLU 47 Cb -0.14 -3.28 -0.05 0.00 -4.31 0.00 0.00 34.13 26.35 2qou s GLU 47 CO 0.02 0.40 0.03 1.03 0.01 0.00 0.00 175.26 176.75 2qou s ARG 48 N 0.05 2.12 0.27 1.61 0.52 -1.26 0.55 118.95 122.80 2qou s ARG 48 Ca 0.08 -1.72 0.03 0.00 -0.52 0.00 0.00 55.73 53.60 2qou s ARG 48 Cb -0.12 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2qou s ARG 48 CO -0.00 0.14 0.21 -0.06 0.02 0.00 0.00 175.30 175.60 2qou s PHE 49 N -2.50 1.47 0.02 -0.53 0.40 0.28 -4.95 117.98 112.18 2qou s PHE 49 Ca 0.35 -1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.12 2qou s PHE 49 Cb -0.00 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 2qou s PHE 49 CO 0.20 -0.76 0.05 0.99 0.70 0.00 0.00 175.22 176.39 2qou s THR 50 N -3.79 0.12 -0.30 0.64 2.01 -1.25 -3.33 115.64 109.74 2qou s THR 50 Ca 0.40 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 2qou s THR 50 Cb 0.05 -0.56 0.18 0.00 0.01 0.00 0.00 72.50 72.18 2qou s THR 50 CO 0.20 -0.53 1.17 0.54 -0.69 0.00 0.00 174.62 175.31 2qou s VAL 51 N -1.91 -0.21 -0.43 3.82 0.11 -1.13 -4.88 120.40 115.77 2qou s VAL 51 Ca -0.11 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 58.60 2qou s VAL 51 Cb -0.06 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.67 2qou s VAL 51 CO -0.02 0.00 2.26 0.18 -3.33 0.00 0.00 175.10 174.20 2qou n LEU 52 N 4.90 1.92 -0.16 2.54 4.32 -1.26 -1.51 117.00 127.75 2qou n LEU 52 Ca -0.07 0.29 0.20 0.00 -0.02 0.00 0.00 56.01 56.41 2qou n LEU 52 Cb 0.54 -1.25 0.59 0.00 -1.62 0.00 0.00 43.42 41.68 2qou n LEU 52 CO -0.07 -0.83 1.22 -0.29 -1.22 0.00 0.00 177.39 176.20 2qou h ILE 53 N 7.25 0.70 -2.71 -0.08 2.10 -1.80 -3.41 117.51 119.56 2qou h ILE 53 Ca -0.24 -0.09 -0.66 0.00 1.08 0.00 0.00 64.86 64.96 2qou h ILE 53 Cb 1.32 0.43 -0.06 0.00 -1.09 0.00 0.00 36.82 37.41 2qou h ILE 53 CO 1.07 0.05 -0.48 -0.55 -1.08 0.00 0.00 178.15 177.16 2qou s SER 54 N -5.84 6.39 0.33 2.19 0.15 -1.26 -5.02 113.70 110.64 2qou s SER 54 Ca -0.07 0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.81 2qou s SER 54 Cb 0.21 -2.05 -0.10 0.00 -1.71 0.00 0.00 66.02 62.38 2qou s SER 54 CO 0.77 0.35 0.84 -2.16 1.20 0.00 0.00 173.24 174.24 2qou s PRO 55 N -1.38 4.25 0.24 5.44 0.04 -1.26 -4.79 135.00 137.54 2qou s PRO 55 Ca 0.20 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2qou s PRO 55 Cb -0.12 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2qou s PRO 55 CO 0.10 0.18 0.00 1.58 0.04 0.00 0.00 177.00 178.90 2qou n HIS 56 N 0.00 -4.68 -1.42 0.56 -0.00 -1.26 -4.89 115.22 103.54 2qou n HIS 56 Ca 0.03 2.72 0.00 0.00 -0.00 0.00 0.00 57.72 60.47 2qou n HIS 56 Cb 0.52 -3.60 0.00 0.00 -0.00 0.00 0.00 29.99 26.91 2qou n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2qou n VAL 57 N 1.45 0.00 -2.11 3.57 3.14 -1.26 -4.98 118.33 118.12 2qou n VAL 57 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 2qou n VAL 57 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2qou n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qou n ASN 58 N -3.72 -4.82 0.04 6.55 3.02 -1.26 -4.88 115.26 110.19 2qou n ASN 58 Ca 0.00 0.39 -0.09 0.00 -0.03 0.00 0.00 54.58 54.85 2qou n ASN 58 Cb 0.00 -3.07 -0.13 0.00 -0.61 0.00 0.00 39.78 35.97 2qou n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qou h LYS 59 N 1.11 0.04 -1.09 3.52 2.10 -1.95 -3.30 116.57 117.00 2qou h LYS 59 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2qou h LYS 59 Cb 0.32 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2qou h LYS 59 CO 0.08 0.88 0.00 -0.25 -2.00 0.00 0.00 179.45 178.15 2qou n ASP 60 N -3.28 1.79 0.00 7.07 10.43 -1.26 -3.91 116.55 127.39 2qou n ASP 60 Ca -0.07 -1.52 0.00 0.00 2.57 0.00 0.00 54.79 55.77 2qou n ASP 60 Cb 0.99 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 43.57 2qou n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qou n ALA 61 N 0.46 0.15 -1.03 2.24 0.00 -1.24 -5.08 120.51 116.01 2qou n ALA 61 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2qou n ALA 61 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 2qou n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qou n ARG 62 N -1.12 -1.99 -3.64 0.00 5.12 -1.25 -4.61 116.66 109.17 2qou n ARG 62 Ca 0.00 1.39 -0.06 0.00 -1.93 0.00 0.00 57.85 57.25 2qou n ARG 62 Cb 0.00 -2.48 -0.07 0.00 -1.16 0.00 0.00 32.46 28.76 2qou n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qou s ASP 63 N -5.36 -0.57 -0.33 0.55 2.15 -0.57 -3.28 116.67 109.27 2qou s ASP 63 Ca 0.00 0.97 -0.09 0.00 0.43 0.00 0.00 52.55 53.86 2qou s ASP 63 Cb 0.00 1.14 0.01 0.00 -0.30 0.00 0.00 42.92 43.77 2qou s ASP 63 CO 0.00 -0.16 0.14 0.00 -0.17 0.00 0.00 175.17 174.99 2qou s GLN 64 N 0.97 3.08 0.27 4.34 -2.07 -1.26 -2.84 119.66 122.14 2qou s GLN 64 Ca -0.05 -0.89 0.11 0.00 -1.82 0.00 0.00 55.36 52.71 2qou s GLN 64 Cb -0.04 -3.55 -0.05 0.00 -1.09 0.00 0.00 33.01 28.28 2qou s GLN 64 CO -0.12 -0.52 -0.10 0.71 -1.32 0.00 0.00 175.29 173.94 2qou s TYR 65 N 1.55 2.51 0.09 9.60 4.12 -1.21 -4.96 117.35 129.05 2qou s TYR 65 Ca 0.03 -0.27 -0.15 0.00 0.02 0.00 0.00 57.07 56.70 2qou s TYR 65 Cb -0.18 -1.11 0.03 0.00 -1.52 0.00 0.00 41.96 39.18 2qou s TYR 65 CO 0.05 0.65 0.36 -1.83 0.02 0.00 0.00 175.55 174.81 2qou s GLU 66 N -3.54 0.97 -0.11 -0.62 -1.05 -1.26 -0.55 118.70 112.54 2qou s GLU 66 Ca 0.30 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.51 2qou s GLU 66 Cb -0.06 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2qou s GLU 66 CO 0.17 -0.35 -0.23 0.42 0.95 0.00 0.00 175.26 176.22 2qou s ILE 67 N -3.37 1.99 -0.53 1.83 1.01 0.19 -4.97 121.20 117.34 2qou s ILE 67 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 2qou s ILE 67 Cb 0.01 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.84 2qou s ILE 67 CO -0.09 0.54 0.56 -0.13 0.00 0.00 0.00 174.94 175.83 2qou s ARG 68 N 0.50 3.03 -1.17 2.79 1.81 -1.26 -2.55 118.95 122.10 2qou s ARG 68 Ca -0.15 -1.35 -0.11 0.00 -1.72 0.00 0.00 55.73 52.40 2qou s ARG 68 Cb -0.17 -4.21 0.22 0.00 -0.45 0.00 0.00 34.95 30.34 2qou s ARG 68 CO 0.06 -1.30 1.30 2.41 -0.68 0.00 0.00 175.30 177.08 2qou n THR 69 N 5.40 4.43 -2.64 0.02 -1.04 -1.23 -4.07 114.28 115.15 2qou n THR 69 Ca -0.11 -5.06 -0.40 0.00 -2.04 0.00 0.00 64.05 56.44 2qou n THR 69 Cb 0.43 -2.52 -0.05 0.00 -1.82 0.00 0.00 70.33 66.37 2qou n THR 69 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2qou s HIS 70 N 0.12 3.81 0.14 -1.42 3.76 0.97 -3.94 115.29 118.74 2qou s HIS 70 Ca 0.37 1.81 -0.03 0.00 -0.15 0.00 0.00 55.06 57.06 2qou s HIS 70 Cb -0.06 -3.11 -0.03 0.00 1.11 0.00 0.00 32.58 30.49 2qou s HIS 70 CO -0.03 0.02 0.12 -0.48 -0.85 0.00 0.00 174.74 173.51 2qou s LEU 71 N -1.06 1.56 0.21 0.89 2.34 -1.26 0.83 118.68 122.19 2qou s LEU 71 Ca 0.43 -1.12 -0.01 0.00 0.06 0.00 0.00 54.13 53.49 2qou s LEU 71 Cb -0.28 0.53 -0.04 0.00 -0.56 0.00 0.00 46.19 45.84 2qou s LEU 71 CO 0.35 -0.77 0.13 -0.13 -1.06 0.00 0.00 176.35 174.86 2qou s ARG 72 N -4.03 1.24 0.11 1.48 1.81 -0.83 -4.56 118.95 114.18 2qou s ARG 72 Ca 0.22 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.58 2qou s ARG 72 Cb 0.06 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.77 2qou s ARG 72 CO 0.01 -0.38 0.00 -0.11 -0.68 0.00 0.00 175.30 174.14 2qou n LEU 73 N -0.30 0.15 0.00 2.53 -0.00 0.47 -1.91 117.00 117.93 2qou n LEU 73 Ca 0.02 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 2qou n LEU 73 Cb 0.66 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 44.15 2qou n LEU 73 CO 0.34 -0.55 0.00 0.52 -0.00 0.00 0.00 177.39 177.70 2qou n VAL 74 N -3.09 0.00 -1.22 1.96 0.31 -1.25 -3.82 118.33 111.23 2qou n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qou n VAL 74 Cb 0.09 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2qou n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qou n ASP 75 N 1.58 -6.63 -3.88 4.52 -0.08 -1.26 -3.99 116.55 106.80 2qou n ASP 75 Ca 0.00 1.29 -0.11 0.00 -1.51 0.00 0.00 54.79 54.46 2qou n ASP 75 Cb 0.00 -3.63 -0.11 0.00 2.34 0.00 0.00 41.12 39.72 2qou n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qou s ILE 76 N -4.48 0.06 0.30 5.18 -4.36 -0.78 -1.02 121.20 116.09 2qou s ILE 76 Ca 0.00 -0.50 0.03 0.00 -0.26 0.00 0.00 60.65 59.92 2qou s ILE 76 Cb 0.00 -0.31 0.05 0.00 1.25 0.00 0.00 42.46 43.45 2qou s ILE 76 CO 0.00 -0.28 0.41 0.52 0.24 0.00 0.00 174.94 175.83 2qou n VAL 77 N 2.00 0.00 -2.52 8.37 0.31 -1.26 -1.35 118.33 123.88 2qou n VAL 77 Ca -0.19 -0.86 -0.00 0.00 -0.01 0.00 0.00 64.34 63.27 2qou n VAL 77 Cb 0.57 -0.89 -0.00 0.00 -0.91 0.00 0.00 33.84 32.60 2qou n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qou n GLU 78 N -1.68 -3.03 -0.65 5.55 4.71 -1.26 -3.93 120.64 120.35 2qou n GLU 78 Ca 0.08 2.48 -0.17 0.00 -0.01 0.00 0.00 57.16 59.55 2qou n GLU 78 Cb 0.28 -4.69 -0.04 0.00 -1.01 0.00 0.00 31.44 25.98 2qou n GLU 78 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2qou n PRO 79 N 0.65 1.70 -2.18 3.49 -0.04 -1.26 -4.35 135.00 133.01 2qou n PRO 79 Ca -0.02 -1.15 -0.43 0.00 -0.04 0.00 0.00 63.50 61.86 2qou n PRO 79 Cb 0.04 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.24 2qou n PRO 79 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qou s THR 80 N 3.06 3.86 0.22 0.52 2.01 -1.26 -4.90 115.64 119.15 2qou s THR 80 Ca 0.37 1.04 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 2qou s THR 80 Cb 0.12 -3.68 0.25 0.00 0.01 0.00 0.00 72.50 69.20 2qou s THR 80 CO -0.02 -0.10 1.61 -0.08 -0.69 0.00 0.00 174.62 175.34 2qou h GLU 81 N 9.03 -0.03 -0.74 4.92 4.22 -1.96 -0.60 114.58 129.42 2qou h GLU 81 Ca -0.34 0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.24 2qou h GLU 81 Cb 1.15 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 2qou h GLU 81 CO 0.96 -0.02 -0.27 0.87 -2.18 0.00 0.00 179.01 178.37 2qou h LYS 82 N -0.03 -0.06 0.00 1.92 1.57 -1.90 0.24 116.57 118.31 2qou h LYS 82 Ca 0.32 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 2qou h LYS 82 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2qou h LYS 82 CO -0.71 -0.04 -0.22 1.15 -0.57 0.00 0.00 179.45 179.05 2qou h THR 83 N -0.06 0.72 0.75 -0.16 2.02 -1.41 -2.43 112.91 112.34 2qou h THR 83 Ca 0.32 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 2qou h THR 83 Cb 0.57 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2qou h THR 83 CO -0.78 0.22 -0.40 0.58 0.37 0.00 0.00 175.52 175.51 2qou h VAL 84 N 0.00 0.18 -0.55 3.16 2.07 0.15 -2.86 116.25 118.41 2qou h VAL 84 Ca -0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 2qou h VAL 84 Cb 0.57 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2qou h VAL 84 CO 0.03 0.00 0.15 0.47 0.02 0.00 0.00 177.57 178.24 2qou n ASP 85 N -5.56 4.38 -0.72 0.57 8.00 -1.12 -4.23 116.55 117.87 2qou n ASP 85 Ca -0.14 -2.89 0.11 0.00 0.71 0.00 0.00 54.79 52.58 2qou n ASP 85 Cb 0.44 -0.68 0.32 0.00 -0.02 0.00 0.00 41.12 41.18 2qou n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qou n ALA 86 N 0.11 2.49 -0.01 2.24 0.00 -0.92 -4.02 120.51 120.41 2qou n ALA 86 Ca 0.29 -0.65 0.02 0.00 0.00 0.00 0.00 53.44 53.11 2qou n ALA 86 Cb 1.12 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 2qou n ALA 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qou n LEU 87 N 0.64 0.00 0.19 0.00 7.99 -1.26 -4.51 117.00 120.05 2qou n LEU 87 Ca 0.17 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.28 2qou n LEU 87 Cb 0.40 0.03 0.60 0.00 -0.11 0.00 0.00 43.42 44.34 2qou n LEU 87 CO 0.14 0.03 0.87 0.24 -1.51 0.00 0.00 177.39 177.15 2qou h MET 88 N 0.00 0.00 0.13 3.23 2.86 -1.85 0.20 114.93 119.50 2qou h MET 88 Ca -0.03 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.28 2qou h MET 88 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2qou h MET 88 CO 0.00 0.00 -1.69 -0.09 1.06 0.00 0.00 176.91 176.19 2qou h ARG 89 N 0.00 0.27 -3.84 1.72 9.65 -1.81 -3.42 114.38 116.94 2qou h ARG 89 Ca 0.00 -0.47 -0.63 0.00 -1.10 0.00 0.00 59.98 57.79 2qou h ARG 89 Cb 0.19 0.17 -0.40 0.00 -1.39 0.00 0.00 29.97 28.54 2qou h ARG 89 CO 0.00 1.14 -0.72 -1.17 2.80 0.00 0.00 179.97 182.02 2qou s LEU 90 N -7.00 3.65 -0.35 3.80 2.96 0.70 -5.01 118.68 117.43 2qou s LEU 90 Ca -0.13 -2.27 -0.01 0.00 -0.22 0.00 0.00 54.13 51.50 2qou s LEU 90 Cb 0.06 -1.32 0.19 0.00 0.50 0.00 0.00 46.19 45.62 2qou s LEU 90 CO 0.84 -0.34 0.84 1.51 -1.32 0.00 0.00 176.35 177.87 2qou s ASP 91 N 0.77 -0.94 0.00 3.68 3.84 -1.20 -4.79 116.67 118.03 2qou s ASP 91 Ca 0.13 -0.34 0.00 0.00 -0.00 0.00 0.00 52.55 52.34 2qou s ASP 91 Cb -0.21 1.28 0.00 0.00 -1.38 0.00 0.00 42.92 42.61 2qou s ASP 91 CO -0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 175.17 174.96 2qou n LEU 92 N 4.31 0.00 -2.15 2.11 -0.00 -1.26 -5.06 117.00 114.95 2qou n LEU 92 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2qou n LEU 92 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2qou n LEU 92 CO -0.07 0.00 -0.45 0.00 -0.00 0.00 0.00 177.39 176.87 2qou n ALA 93 N -3.00 -2.10 0.96 1.47 0.00 -1.26 -4.85 120.51 111.73 2qou n ALA 93 Ca 0.00 0.45 0.12 0.00 0.00 0.00 0.00 53.44 54.01 2qou n ALA 93 Cb 0.00 -1.37 0.31 0.00 0.00 0.00 0.00 19.45 18.39 2qou n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qou n ALA 94 N 1.72 3.28 0.55 0.00 0.00 -1.26 -3.79 120.51 121.01 2qou n ALA 94 Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.27 2qou n ALA 94 Cb 0.00 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 18.51 2qou n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qou h GLY 95 N 4.96 0.00 -0.66 0.00 0.00 -1.96 -3.47 103.07 101.94 2qou h GLY 95 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2qou h GLY 95 CO 0.00 0.00 -0.36 -1.34 0.00 0.00 0.00 176.54 174.84 2qou s VAL 96 N -3.15 1.36 -0.27 4.60 -7.23 -1.25 -4.02 120.40 110.43 2qou s VAL 96 Ca 0.08 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.38 2qou s VAL 96 Cb 0.12 -2.02 0.07 0.00 0.56 0.00 0.00 36.38 35.12 2qou s VAL 96 CO 0.68 0.00 0.69 -0.62 -0.31 0.00 0.00 175.10 175.54 2qou s ASP 97 N -4.18 -0.83 0.28 4.85 -1.08 -0.50 -4.95 116.67 110.26 2qou s ASP 97 Ca 0.22 1.46 0.04 0.00 -0.52 0.00 0.00 52.55 53.74 2qou s ASP 97 Cb -0.02 1.41 0.04 0.00 -1.46 0.00 0.00 42.92 42.89 2qou s ASP 97 CO 0.14 -0.24 0.36 1.33 0.52 0.00 0.00 175.17 177.27 2qou n VAL 98 N 3.47 0.00 -1.49 1.11 0.24 -1.26 0.18 118.33 120.57 2qou n VAL 98 Ca -0.17 -0.83 -0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2qou n VAL 98 Cb 0.57 -0.82 -0.00 0.00 -1.47 0.00 0.00 33.84 32.12 2qou n VAL 98 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2qou n GLN 99 N -1.58 0.00 -1.24 7.34 7.27 -0.47 -4.88 117.38 123.81 2qou n GLN 99 Ca 0.07 -0.04 -0.35 0.00 0.07 0.00 0.00 57.00 56.75 2qou n GLN 99 Cb 0.26 0.47 0.10 0.00 2.41 0.00 0.00 30.24 33.48 2qou n GLN 99 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 2qou n ILE 100 N 0.00 2.41 -0.39 1.69 -5.35 -1.26 -4.46 119.36 112.00 2qou n ILE 100 Ca -0.01 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2qou n ILE 100 Cb 0.25 -1.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.05 2qou n ILE 100 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2qou n SER 101 N -2.18 2.76 -0.70 7.28 7.64 -1.24 -4.92 113.62 122.27 2qou n SER 101 Ca 0.13 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.14 2qou n SER 101 Cb 0.50 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.03 2qou n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03