#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb9 s ILE 6 N 0.00 2.32 0.34 8.89 1.01 -1.11 -4.85 121.20 127.79 2qb9 s ILE 6 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 2qb9 s ILE 6 Cb 0.00 -1.90 -0.10 0.00 0.01 0.00 0.00 42.46 40.47 2qb9 s ILE 6 CO 0.00 0.56 0.84 -0.13 0.00 0.00 0.00 174.94 176.20 2qb9 s ARG 7 N 0.19 4.23 -0.42 2.79 0.52 0.17 -2.40 118.95 124.02 2qb9 s ARG 7 Ca -0.13 0.97 0.04 0.00 -0.52 0.00 0.00 55.73 56.10 2qb9 s ARG 7 Cb -0.16 -2.51 0.17 0.00 0.52 0.00 0.00 34.95 32.97 2qb9 s ARG 7 CO 0.07 0.17 0.38 -0.89 0.02 0.00 0.00 175.30 175.05 2qb9 n ILE 8 N -0.07 -1.09 -2.40 1.52 -0.00 -1.22 -1.81 119.36 114.29 2qb9 n ILE 8 Ca 0.03 -3.19 -0.43 0.00 -0.00 0.00 0.00 62.75 59.16 2qb9 n ILE 8 Cb 0.52 -1.39 -0.02 0.00 -0.00 0.00 0.00 39.64 38.75 2qb9 n ILE 8 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qb9 s ARG 9 N 0.11 3.75 -0.12 0.38 1.81 -1.26 -4.31 118.95 119.30 2qb9 s ARG 9 Ca 0.33 1.06 -0.02 0.00 -1.72 0.00 0.00 55.73 55.37 2qb9 s ARG 9 Cb 0.04 -3.95 -0.03 0.00 -0.45 0.00 0.00 34.95 30.57 2qb9 s ARG 9 CO -0.18 -1.34 -0.05 -0.51 -0.68 0.00 0.00 175.30 172.54 2qb9 s LEU 10 N 4.85 3.21 -0.02 2.53 1.43 -0.36 -0.72 118.68 129.60 2qb9 s LEU 10 Ca 0.58 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2qb9 s LEU 10 Cb -0.15 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.36 2qb9 s LEU 10 CO 0.28 0.24 0.03 -0.54 0.23 0.00 0.00 176.35 176.59 2qb9 s LYS 11 N -0.05 -0.02 0.04 1.70 1.02 -1.08 -0.13 119.74 121.22 2qb9 s LYS 11 Ca 0.01 0.20 -0.02 0.00 0.02 0.00 0.00 55.97 56.18 2qb9 s LYS 11 Cb -0.13 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 2qb9 s LYS 11 CO 0.03 -0.18 0.01 0.00 -0.92 0.00 0.00 175.35 174.28 2qb9 s ALA 12 N 1.18 0.28 -1.84 5.17 0.00 -1.07 -2.15 121.76 123.33 2qb9 s ALA 12 Ca -0.08 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2qb9 s ALA 12 Cb -0.13 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2qb9 s ALA 12 CO -0.03 -0.33 0.96 1.19 0.00 0.00 0.00 175.76 177.55 2qb9 n PHE 13 N 0.52 0.06 -3.64 0.00 0.99 -1.26 -1.32 117.46 112.82 2qb9 n PHE 13 Ca -0.17 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.45 57.20 2qb9 n PHE 13 Cb 0.59 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 38.99 2qb9 n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qb9 s ASP 14 N -0.86 -0.64 0.32 4.37 1.47 -1.26 -4.70 116.67 115.38 2qb9 s ASP 14 Ca 0.03 1.06 0.05 0.00 1.18 0.00 0.00 52.55 54.87 2qb9 s ASP 14 Cb 0.02 1.22 0.69 0.00 -0.34 0.00 0.00 42.92 44.51 2qb9 s ASP 14 CO 0.02 -0.17 1.85 1.12 0.68 0.00 0.00 175.17 178.67 2qb9 h HIS 15 N 5.99 0.99 0.04 2.11 2.07 -1.93 -2.55 115.15 121.87 2qb9 h HIS 15 Ca -0.29 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.27 2qb9 h HIS 15 Cb 1.20 -0.31 -0.03 0.00 2.57 0.00 0.00 27.41 30.84 2qb9 h HIS 15 CO 0.14 0.37 -0.30 0.00 -3.07 0.00 0.00 177.93 175.08 2qb9 h ARG 16 N 0.84 -0.39 -0.19 5.12 3.08 -1.99 0.13 114.38 120.99 2qb9 h ARG 16 Ca 0.48 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.60 2qb9 h ARG 16 Cb 0.61 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 2qb9 h ARG 16 CO -0.24 -0.26 -0.14 1.25 -1.07 0.00 0.00 179.97 179.51 2qb9 h LEU 17 N -0.40 -0.44 -0.86 3.04 6.46 -1.94 -2.70 115.31 118.45 2qb9 h LEU 17 Ca 0.00 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2qb9 h LEU 17 Cb 0.42 0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 2qb9 h LEU 17 CO -0.18 -0.18 0.57 -0.29 -0.62 0.00 0.00 178.44 177.74 2qb9 h ILE 18 N -0.14 1.20 -0.47 4.05 2.10 -1.32 -2.47 117.51 120.45 2qb9 h ILE 18 Ca 0.11 -0.39 0.08 0.00 1.08 0.00 0.00 64.86 65.74 2qb9 h ILE 18 Cb 0.31 -0.05 -0.07 0.00 -1.09 0.00 0.00 36.82 35.92 2qb9 h ILE 18 CO -0.27 0.21 0.08 0.44 -1.08 0.00 0.00 178.15 177.53 2qb9 h ASP 19 N 1.14 -0.02 0.34 2.19 3.45 -0.40 0.48 116.42 123.60 2qb9 h ASP 19 Ca 0.33 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.86 2qb9 h ASP 19 Cb -0.09 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 2qb9 h ASP 19 CO -0.08 0.02 -0.16 1.56 -1.57 0.00 0.00 179.24 179.01 2qb9 h GLN 20 N 0.22 -0.43 -0.68 3.56 4.20 -1.36 0.51 115.11 121.12 2qb9 h GLN 20 Ca 0.24 0.03 0.19 0.00 0.06 0.00 0.00 58.65 59.17 2qb9 h GLN 20 Cb 0.31 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2qb9 h GLN 20 CO -0.32 -0.21 0.49 0.00 -0.67 0.00 0.00 178.83 178.11 2qb9 h ALA 21 N 0.05 2.59 0.00 3.87 0.00 -1.08 0.17 119.26 124.87 2qb9 h ALA 21 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qb9 h ALA 21 Cb 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qb9 h ALA 21 CO 0.08 -0.79 -0.08 1.15 0.00 0.00 0.00 179.25 179.61 2qb9 h THR 22 N 0.03 0.17 0.00 0.00 2.02 -0.40 -3.17 112.91 111.55 2qb9 h THR 22 Ca 0.32 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2qb9 h THR 22 Cb 1.25 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2qb9 h THR 22 CO -0.01 0.06 0.29 0.00 0.37 0.00 0.00 175.52 176.22 2qb9 h ALA 23 N -0.91 1.29 0.14 6.16 0.00 0.43 0.81 119.26 127.18 2qb9 h ALA 23 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2qb9 h ALA 23 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2qb9 h ALA 23 CO -0.00 -0.29 -0.96 1.49 0.00 0.00 0.00 179.25 179.49 2qb9 h GLU 24 N 0.00 0.41 -0.17 0.00 4.81 -0.78 -1.76 114.58 117.10 2qb9 h GLU 24 Ca 0.00 -0.62 -0.06 0.00 -0.13 0.00 0.00 59.36 58.55 2qb9 h GLU 24 Cb 0.58 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2qb9 h GLU 24 CO 0.00 1.28 -0.13 0.82 -0.73 0.00 0.00 179.01 180.25 2qb9 h ILE 25 N -0.15 1.33 -0.25 2.32 2.04 -0.89 -2.68 117.51 119.24 2qb9 h ILE 25 Ca -0.16 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 2qb9 h ILE 25 Cb 1.73 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 2qb9 h ILE 25 CO 0.18 0.37 0.15 0.58 0.00 0.00 0.00 178.15 179.44 2qb9 h VAL 26 N 0.04 1.09 0.28 1.67 2.07 -1.23 -0.81 116.25 119.36 2qb9 h VAL 26 Ca 0.03 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qb9 h VAL 26 Cb 0.64 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2qb9 h VAL 26 CO 0.03 0.09 -0.46 -0.08 0.02 0.00 0.00 177.57 177.17 2qb9 h GLU 27 N 0.31 -0.75 0.57 1.57 4.81 -1.32 -2.32 114.58 117.46 2qb9 h GLU 27 Ca 0.09 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2qb9 h GLU 27 Cb 0.01 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2qb9 h GLU 27 CO -0.02 -0.50 -0.37 1.79 -0.73 0.00 0.00 179.01 179.18 2qb9 h THR 28 N -0.78 0.24 -1.27 0.32 1.35 -1.46 -2.76 112.91 108.55 2qb9 h THR 28 Ca -0.03 0.00 0.37 0.00 -0.55 0.00 0.00 66.41 66.19 2qb9 h THR 28 Cb 0.72 0.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.32 2qb9 h THR 28 CO -0.15 0.00 0.90 0.00 -0.25 0.00 0.00 175.52 176.02 2qb9 h ALA 29 N -0.58 3.11 0.25 6.62 0.00 -1.14 -1.56 119.26 125.97 2qb9 h ALA 29 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2qb9 h ALA 29 Cb 0.74 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qb9 h ALA 29 CO 0.05 -1.50 -0.12 0.87 0.00 0.00 0.00 179.25 178.56 2qb9 h LYS 30 N 0.04 -0.33 -2.52 0.00 1.57 -1.11 -3.05 116.57 111.17 2qb9 h LYS 30 Ca 0.62 0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.88 2qb9 h LYS 30 Cb 2.38 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 34.71 2qb9 h LYS 30 CO -0.05 0.02 1.99 2.89 -0.57 0.00 0.00 179.45 183.73 2qb9 n ARG 31 N -5.07 3.27 0.00 3.15 1.85 -0.59 -3.14 116.66 116.14 2qb9 n ARG 31 Ca -0.09 -2.16 0.00 0.00 -1.00 0.00 0.00 57.85 54.60 2qb9 n ARG 31 Cb 0.26 -2.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 2qb9 n ARG 31 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2qb9 n THR 32 N 2.55 0.00 0.00 8.89 5.66 -1.24 -5.01 114.28 125.13 2qb9 n THR 32 Ca 0.62 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.62 2qb9 n THR 32 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 2qb9 n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qb9 n GLY 33 N 0.00 0.65 3.11 1.09 0.00 -1.19 -4.51 105.19 104.34 2qb9 n GLY 33 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2qb9 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qb9 n ALA 34 N 0.00 -2.94 0.05 4.61 0.00 -1.15 -4.90 120.51 116.18 2qb9 n ALA 34 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.59 2qb9 n ALA 34 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 2qb9 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qb9 n GLN 35 N 1.33 0.63 -0.92 0.00 10.64 -1.17 -4.14 117.38 123.75 2qb9 n GLN 35 Ca 0.10 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 2qb9 n GLN 35 Cb 0.40 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 2qb9 n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2qb9 n VAL 36 N -2.54 -3.39 -0.14 -0.39 0.31 -1.26 -4.72 118.33 106.20 2qb9 n VAL 36 Ca -0.04 1.33 -0.12 0.00 -0.01 0.00 0.00 64.34 65.50 2qb9 n VAL 36 Cb 0.61 -2.09 0.08 0.00 -0.91 0.00 0.00 33.84 31.53 2qb9 n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qb9 n ARG 37 N -0.31 1.62 -1.49 5.55 3.00 -1.06 -4.73 116.66 119.25 2qb9 n ARG 37 Ca 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 57.85 56.37 2qb9 n ARG 37 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 30.88 2qb9 n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qb9 n GLY 38 N -0.27 -4.52 3.60 5.14 0.00 -1.26 -4.74 105.19 103.15 2qb9 n GLY 38 Ca 0.29 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2qb9 n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qb9 s PRO 39 N -3.98 3.47 -0.03 1.61 0.04 -1.26 -3.90 135.00 130.95 2qb9 s PRO 39 Ca 0.00 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2qb9 s PRO 39 Cb 0.00 -4.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 2qb9 s PRO 39 CO 0.00 -1.69 0.42 0.42 0.04 0.00 0.00 177.00 176.18 2qb9 s ILE 40 N 6.15 5.07 -0.10 0.56 1.01 -1.26 -4.89 121.20 127.74 2qb9 s ILE 40 Ca 0.71 0.85 -0.20 0.00 0.00 0.00 0.00 60.65 62.02 2qb9 s ILE 40 Cb -0.19 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 2qb9 s ILE 40 CO 0.33 0.52 0.64 1.55 0.00 0.00 0.00 174.94 177.98 2qb9 h PRO 41 N 5.21 -0.05 -2.32 2.79 0.13 -1.95 -1.32 132.00 134.49 2qb9 h PRO 41 Ca -0.49 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 2qb9 h PRO 41 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2qb9 h PRO 41 CO 0.65 0.56 -0.67 1.28 -0.23 0.00 0.00 178.00 179.59 2qb9 n LEU 42 N -4.74 -0.95 -4.71 1.56 4.32 -1.26 -4.19 117.00 107.03 2qb9 n LEU 42 Ca -0.07 1.73 -0.39 0.00 -0.02 0.00 0.00 56.01 57.26 2qb9 n LEU 42 Cb 0.31 -1.70 0.04 0.00 -1.62 0.00 0.00 43.42 40.44 2qb9 n LEU 42 CO 0.24 -0.75 0.89 -0.81 -1.22 0.00 0.00 177.39 175.74 2qb9 n PRO 43 N -2.56 1.61 -3.56 3.23 -0.04 -1.26 -4.76 135.00 127.66 2qb9 n PRO 43 Ca -0.02 0.59 -0.41 0.00 -0.04 0.00 0.00 63.50 63.63 2qb9 n PRO 43 Cb 0.34 -2.46 -0.08 0.00 -0.04 0.00 0.00 33.50 31.26 2qb9 n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qb9 s THR 44 N -1.30 4.20 0.10 0.52 2.01 -1.26 -4.79 115.64 115.12 2qb9 s THR 44 Ca 0.70 -1.91 -0.31 0.00 0.31 0.00 0.00 61.69 60.48 2qb9 s THR 44 Cb -0.44 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 2qb9 s THR 44 CO 0.51 -0.79 1.52 -0.13 -0.69 0.00 0.00 174.62 175.04 2qb9 s ARG 45 N 1.21 4.25 -0.27 4.92 0.52 -1.26 -4.82 118.95 123.50 2qb9 s ARG 45 Ca 0.07 2.23 0.03 0.00 -0.52 0.00 0.00 55.73 57.54 2qb9 s ARG 45 Cb -0.25 -3.36 0.07 0.00 0.52 0.00 0.00 34.95 31.93 2qb9 s ARG 45 CO -0.01 -0.60 -0.08 -1.59 0.02 0.00 0.00 175.30 173.04 2qb9 s LYS 46 N 1.73 2.09 -0.27 3.54 -2.85 -1.26 -2.84 119.74 119.87 2qb9 s LYS 46 Ca 0.69 -1.41 -0.29 0.00 -1.00 0.00 0.00 55.97 53.96 2qb9 s LYS 46 Cb -0.39 -2.92 0.01 0.00 -2.06 0.00 0.00 37.83 32.47 2qb9 s LYS 46 CO 0.31 -0.63 1.09 -1.21 0.10 0.00 0.00 175.35 175.01 2qb9 s GLU 47 N 1.09 4.15 0.21 1.78 8.01 -1.17 -4.84 118.70 127.93 2qb9 s GLU 47 Ca -0.06 1.25 0.05 0.00 0.01 0.00 0.00 54.97 56.22 2qb9 s GLU 47 Cb -0.20 -3.71 -0.03 0.00 -4.31 0.00 0.00 34.13 25.88 2qb9 s GLU 47 CO -0.06 -0.79 0.32 1.03 0.01 0.00 0.00 175.26 175.77 2qb9 s ARG 48 N 3.49 3.37 -0.03 1.61 0.52 -1.26 -1.16 118.95 125.49 2qb9 s ARG 48 Ca 0.46 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 2qb9 s ARG 48 Cb -0.14 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.48 2qb9 s ARG 48 CO 0.12 0.45 0.01 -0.06 0.02 0.00 0.00 175.30 175.85 2qb9 s PHE 49 N -1.92 0.21 -0.15 -0.53 0.40 0.96 -4.94 117.98 112.01 2qb9 s PHE 49 Ca 0.34 0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.69 2qb9 s PHE 49 Cb -0.09 -0.35 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 2qb9 s PHE 49 CO 0.28 -0.12 -0.04 0.99 0.70 0.00 0.00 175.22 177.03 2qb9 s THR 50 N 1.09 3.89 -0.17 0.64 2.01 -1.26 -0.36 115.64 121.48 2qb9 s THR 50 Ca -0.09 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 2qb9 s THR 50 Cb -0.13 -2.70 0.05 0.00 0.01 0.00 0.00 72.50 69.73 2qb9 s THR 50 CO -0.02 0.50 0.43 0.54 -0.69 0.00 0.00 174.62 175.37 2qb9 s VAL 51 N 0.32 -0.01 0.19 3.82 0.11 -0.51 -4.89 120.40 119.44 2qb9 s VAL 51 Ca -0.04 0.03 -0.33 0.00 -2.93 0.00 0.00 61.98 58.72 2qb9 s VAL 51 Cb -0.14 -0.61 -0.13 0.00 -1.53 0.00 0.00 36.38 33.97 2qb9 s VAL 51 CO 0.03 0.01 1.67 0.18 -3.33 0.00 0.00 175.10 173.66 2qb9 n LEU 52 N 3.35 3.69 0.05 2.54 4.32 -1.26 0.70 117.00 130.40 2qb9 n LEU 52 Ca -0.17 1.07 -0.20 0.00 -0.02 0.00 0.00 56.01 56.69 2qb9 n LEU 52 Cb 0.56 -1.52 -0.15 0.00 -1.62 0.00 0.00 43.42 40.69 2qb9 n LEU 52 CO 0.11 0.02 0.04 -0.29 -1.22 0.00 0.00 177.39 176.04 2qb9 h ILE 53 N 3.72 1.49 -3.55 -0.08 2.10 -1.84 -3.43 117.51 115.92 2qb9 h ILE 53 Ca -0.44 -2.52 -0.52 0.00 1.08 0.00 0.00 64.86 62.46 2qb9 h ILE 53 Cb 1.22 3.16 -0.03 0.00 -1.09 0.00 0.00 36.82 40.08 2qb9 h ILE 53 CO 0.93 0.72 0.23 -0.55 -1.08 0.00 0.00 178.15 178.40 2qb9 s SER 54 N -7.01 7.41 0.03 2.19 0.15 -1.26 -5.01 113.70 110.20 2qb9 s SER 54 Ca -0.13 1.68 -0.30 0.00 0.70 0.00 0.00 55.95 57.89 2qb9 s SER 54 Cb 0.01 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2qb9 s SER 54 CO 0.84 0.13 0.99 -2.16 1.20 0.00 0.00 173.24 174.24 2qb9 s PRO 55 N -0.79 4.58 0.32 5.44 0.04 -1.26 -4.75 135.00 138.58 2qb9 s PRO 55 Ca 0.39 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2qb9 s PRO 55 Cb -0.23 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2qb9 s PRO 55 CO 0.27 -0.01 0.00 1.58 0.04 0.00 0.00 177.00 178.88 2qb9 n HIS 56 N 3.67 -3.60 -0.78 0.56 -0.00 -1.26 -4.96 115.22 108.84 2qb9 n HIS 56 Ca 0.05 1.88 0.11 0.00 -0.00 0.00 0.00 57.72 59.76 2qb9 n HIS 56 Cb 0.50 -3.12 -0.03 0.00 -0.00 0.00 0.00 29.99 27.35 2qb9 n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2qb9 n VAL 57 N 0.01 0.00 -2.37 3.57 3.14 -1.26 -4.98 118.33 116.44 2qb9 n VAL 57 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.36 2qb9 n VAL 57 Cb 0.00 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.51 2qb9 n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qb9 n ASN 58 N -4.39 -5.56 0.13 6.55 3.02 -1.26 -4.84 115.26 108.92 2qb9 n ASN 58 Ca 0.01 0.16 -0.01 0.00 -0.03 0.00 0.00 54.58 54.71 2qb9 n ASN 58 Cb 0.59 -3.63 0.15 0.00 -0.61 0.00 0.00 39.78 36.27 2qb9 n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qb9 h LYS 59 N 0.80 0.00 0.00 3.52 2.10 -1.95 -2.93 116.57 118.10 2qb9 h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qb9 h LYS 59 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2qb9 h LYS 59 CO 0.15 0.63 0.00 -0.25 -2.00 0.00 0.00 179.45 177.98 2qb9 n ASP 60 N -3.67 0.00 0.00 7.07 9.92 -1.26 -4.08 116.55 124.53 2qb9 n ASP 60 Ca -0.01 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2qb9 n ASP 60 Cb 0.65 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2qb9 n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qb9 n ALA 61 N -1.37 0.00 -1.47 2.24 0.00 -1.11 -4.99 120.51 113.81 2qb9 n ALA 61 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.68 2qb9 n ALA 61 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 2qb9 n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qb9 n ARG 62 N 0.00 -3.16 -3.64 0.00 5.12 -1.25 -4.70 116.66 109.04 2qb9 n ARG 62 Ca 0.00 2.35 -0.10 0.00 -1.93 0.00 0.00 57.85 58.16 2qb9 n ARG 62 Cb 0.00 -3.78 -0.07 0.00 -1.16 0.00 0.00 32.46 27.45 2qb9 n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qb9 s ASP 63 N -7.24 -0.54 -0.21 0.55 -1.08 0.22 -3.87 116.67 104.50 2qb9 s ASP 63 Ca 0.00 1.03 -0.09 0.00 -0.52 0.00 0.00 52.55 52.97 2qb9 s ASP 63 Cb 0.00 1.06 -0.05 0.00 -1.46 0.00 0.00 42.92 42.47 2qb9 s ASP 63 CO 0.00 -0.18 0.12 -1.10 0.52 0.00 0.00 175.17 174.53 2qb9 s GLN 64 N 0.34 4.08 0.23 4.34 -1.52 -1.26 -1.43 119.66 124.45 2qb9 s GLN 64 Ca 0.02 -0.28 0.05 0.00 -1.95 0.00 0.00 55.36 53.20 2qb9 s GLN 64 Cb -0.05 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 29.29 2qb9 s GLN 64 CO -0.05 0.20 -0.05 0.71 -0.25 0.00 0.00 175.29 175.85 2qb9 s TYR 65 N 0.62 1.67 0.02 0.91 4.12 0.51 -4.96 117.35 120.25 2qb9 s TYR 65 Ca 0.06 -0.78 -0.28 0.00 0.02 0.00 0.00 57.07 56.10 2qb9 s TYR 65 Cb -0.12 -0.92 0.07 0.00 -1.52 0.00 0.00 41.96 39.46 2qb9 s TYR 65 CO 0.01 0.14 0.64 -1.83 0.02 0.00 0.00 175.55 174.53 2qb9 s GLU 66 N -3.77 1.13 -0.33 -0.62 -1.05 -1.26 -0.03 118.70 112.77 2qb9 s GLU 66 Ca 0.26 -0.00 -0.00 0.00 -0.15 0.00 0.00 54.97 55.08 2qb9 s GLU 66 Cb 0.04 0.53 0.10 0.00 -0.44 0.00 0.00 34.13 34.36 2qb9 s GLU 66 CO 0.08 -0.41 0.11 0.42 0.95 0.00 0.00 175.26 176.42 2qb9 s ILE 67 N -2.08 1.06 -0.36 1.83 1.01 -0.31 -4.99 121.20 117.36 2qb9 s ILE 67 Ca -0.07 -1.61 -0.29 0.00 0.00 0.00 0.00 60.65 58.68 2qb9 s ILE 67 Cb -0.00 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.68 2qb9 s ILE 67 CO 0.02 -0.69 1.20 -0.13 0.00 0.00 0.00 174.94 175.34 2qb9 s ARG 68 N 1.42 3.88 -0.85 2.79 0.52 -1.26 -3.05 118.95 122.40 2qb9 s ARG 68 Ca 0.11 0.99 -0.08 0.00 -0.52 0.00 0.00 55.73 56.23 2qb9 s ARG 68 Cb -0.18 -3.86 0.22 0.00 0.52 0.00 0.00 34.95 31.65 2qb9 s ARG 68 CO -0.21 -1.16 0.76 0.99 0.02 0.00 0.00 175.30 175.70 2qb9 s THR 69 N 4.28 5.04 1.04 0.02 2.01 -1.13 -4.22 115.64 122.68 2qb9 s THR 69 Ca 0.51 -3.02 -0.13 0.00 0.31 0.00 0.00 61.69 59.37 2qb9 s THR 69 Cb -0.13 -4.12 0.21 0.00 0.01 0.00 0.00 72.50 68.48 2qb9 s THR 69 CO 0.24 -1.04 1.08 -1.00 -0.69 0.00 0.00 174.62 173.21 2qb9 s HIS 70 N -0.44 1.91 0.16 4.92 0.09 -0.43 -4.16 115.29 117.34 2qb9 s HIS 70 Ca 0.22 1.03 -0.21 0.00 -0.00 0.00 0.00 55.06 56.10 2qb9 s HIS 70 Cb -0.12 -3.22 0.06 0.00 -0.00 0.00 0.00 32.58 29.29 2qb9 s HIS 70 CO -0.08 -3.16 0.55 -0.48 -0.00 0.00 0.00 174.74 171.57 2qb9 s LEU 71 N -6.66 -0.27 0.03 0.89 2.34 -1.25 -2.59 118.68 111.16 2qb9 s LEU 71 Ca 0.66 -0.13 0.01 0.00 0.06 0.00 0.00 54.13 54.73 2qb9 s LEU 71 Cb -0.20 2.38 -0.02 0.00 -0.56 0.00 0.00 46.19 47.79 2qb9 s LEU 71 CO 0.59 -0.96 -0.06 -0.13 -1.06 0.00 0.00 176.35 174.74 2qb9 s ARG 72 N -3.78 0.42 -0.19 1.48 1.81 0.82 -4.51 118.95 115.00 2qb9 s ARG 72 Ca 0.02 -0.64 -0.18 0.00 -1.72 0.00 0.00 55.73 53.22 2qb9 s ARG 72 Cb -0.00 -0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.29 2qb9 s ARG 72 CO -0.11 0.01 -0.35 -0.11 -0.68 0.00 0.00 175.30 174.06 2qb9 n LEU 73 N 1.66 1.94 0.00 2.53 -0.00 -0.50 -1.22 117.00 121.41 2qb9 n LEU 73 Ca -0.22 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2qb9 n LEU 73 Cb 0.55 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2qb9 n LEU 73 CO 0.21 -0.18 0.00 0.52 -0.00 0.00 0.00 177.39 177.94 2qb9 n VAL 74 N -4.44 0.00 -2.86 1.96 0.31 -1.25 -3.39 118.33 108.66 2qb9 n VAL 74 Ca -0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2qb9 n VAL 74 Cb 0.56 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2qb9 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qb9 n ASP 75 N 4.28 -7.27 -4.75 4.52 -0.08 -1.26 -3.44 116.55 108.55 2qb9 n ASP 75 Ca 0.00 1.13 -0.40 0.00 -1.51 0.00 0.00 54.79 54.00 2qb9 n ASP 75 Cb 0.00 -4.18 -0.04 0.00 2.34 0.00 0.00 41.12 39.24 2qb9 n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qb9 s ILE 76 N -1.38 3.61 0.31 5.18 -5.25 -1.01 -2.56 121.20 120.11 2qb9 s ILE 76 Ca -0.01 1.54 0.00 0.00 -0.99 0.00 0.00 60.65 61.19 2qb9 s ILE 76 Cb 0.00 -3.98 -0.04 0.00 2.95 0.00 0.00 42.46 41.39 2qb9 s ILE 76 CO 0.54 0.34 0.51 -0.69 -1.79 0.00 0.00 174.94 173.85 2qb9 s VAL 77 N -0.87 5.13 -0.45 8.37 1.01 -1.26 0.14 120.40 132.46 2qb9 s VAL 77 Ca 0.46 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 2qb9 s VAL 77 Cb -0.31 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2qb9 s VAL 77 CO 0.39 -0.47 0.63 -0.62 0.00 0.00 0.00 175.10 175.03 2qb9 n GLU 78 N -1.54 -2.16 -0.83 2.72 4.71 -1.26 -3.02 120.64 119.25 2qb9 n GLU 78 Ca -0.05 1.81 -0.31 0.00 -0.01 0.00 0.00 57.16 58.60 2qb9 n GLU 78 Cb 0.56 -4.16 0.16 0.00 -1.01 0.00 0.00 31.44 26.98 2qb9 n GLU 78 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qb9 s PRO 79 N -2.60 1.09 -0.03 3.49 0.04 -1.26 -3.54 135.00 132.18 2qb9 s PRO 79 Ca 0.29 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2qb9 s PRO 79 Cb -0.05 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2qb9 s PRO 79 CO 0.82 -2.51 0.00 0.99 0.04 0.00 0.00 177.00 176.33 2qb9 s THR 80 N -2.70 0.19 0.20 1.26 2.01 -1.26 -4.85 115.64 110.48 2qb9 s THR 80 Ca 0.66 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.59 2qb9 s THR 80 Cb -0.21 -0.29 0.19 0.00 0.01 0.00 0.00 72.50 72.19 2qb9 s THR 80 CO 0.58 0.16 1.36 1.21 -0.69 0.00 0.00 174.62 177.24 2qb9 n GLU 81 N 4.27 -0.22 0.12 4.92 0.00 -1.26 0.12 120.64 128.60 2qb9 n GLU 81 Ca -0.24 1.34 -0.12 0.00 0.00 0.00 0.00 57.16 58.15 2qb9 n GLU 81 Cb 0.50 -1.99 -0.08 0.00 0.00 0.00 0.00 31.44 29.87 2qb9 n GLU 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2qb9 h LYS 82 N 0.00 -0.34 -0.62 5.31 2.10 -1.96 -3.27 116.57 117.79 2qb9 h LYS 82 Ca 0.29 0.02 0.13 0.00 -2.00 0.00 0.00 60.65 59.09 2qb9 h LYS 82 Cb 0.51 0.08 -0.11 0.00 -0.90 0.00 0.00 32.23 31.81 2qb9 h LYS 82 CO -0.86 0.01 -0.10 1.15 -2.00 0.00 0.00 179.45 177.65 2qb9 h THR 83 N -0.83 0.42 -0.76 0.07 2.02 -1.42 0.15 112.91 112.55 2qb9 h THR 83 Ca -0.04 -0.01 0.17 0.00 0.77 0.00 0.00 66.41 67.30 2qb9 h THR 83 Cb 0.51 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 2qb9 h THR 83 CO 0.06 0.01 0.51 0.58 0.37 0.00 0.00 175.52 177.05 2qb9 h VAL 84 N 0.04 0.75 -0.01 3.16 2.07 -0.41 0.27 116.25 122.11 2qb9 h VAL 84 Ca 0.31 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2qb9 h VAL 84 Cb 0.48 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2qb9 h VAL 84 CO -0.60 0.06 -0.40 0.47 0.02 0.00 0.00 177.57 177.12 2qb9 n ASP 85 N -4.46 1.45 0.26 0.57 8.00 0.12 -4.05 116.55 118.45 2qb9 n ASP 85 Ca 0.15 -1.15 0.16 0.00 0.71 0.00 0.00 54.79 54.66 2qb9 n ASP 85 Cb 0.59 0.34 0.62 0.00 -0.02 0.00 0.00 41.12 42.65 2qb9 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qb9 h ALA 86 N 3.71 1.01 0.00 2.24 0.00 0.21 -2.19 119.26 124.25 2qb9 h ALA 86 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qb9 h ALA 86 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qb9 h ALA 86 CO 0.00 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2qb9 n LEU 87 N -3.16 0.06 0.25 0.00 7.99 -1.22 -2.91 117.00 118.02 2qb9 n LEU 87 Ca 0.01 0.51 0.13 0.00 -0.01 0.00 0.00 56.01 56.64 2qb9 n LEU 87 Cb 0.34 -0.49 0.60 0.00 -0.11 0.00 0.00 43.42 43.76 2qb9 n LEU 87 CO 0.29 -0.03 0.91 0.24 -1.51 0.00 0.00 177.39 177.28 2qb9 h MET 88 N 0.00 0.00 0.02 3.23 2.86 -1.65 -3.16 114.93 116.23 2qb9 h MET 88 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2qb9 h MET 88 Cb 0.50 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2qb9 h MET 88 CO 0.00 0.13 -1.59 0.54 1.06 0.00 0.00 176.91 177.05 2qb9 n ARG 89 N -3.32 0.60 -2.77 1.72 3.00 -1.14 -4.78 116.66 109.97 2qb9 n ARG 89 Ca -0.00 0.48 -0.42 0.00 -0.01 0.00 0.00 57.85 57.89 2qb9 n ARG 89 Cb 0.35 -1.70 -0.04 0.00 0.00 0.00 0.00 32.46 31.07 2qb9 n ARG 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2qb9 s LEU 90 N -7.67 3.97 -0.30 0.55 2.96 -1.19 -4.91 118.68 112.09 2qb9 s LEU 90 Ca -0.30 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 52.99 2qb9 s LEU 90 Cb 0.07 -2.66 0.19 0.00 0.50 0.00 0.00 46.19 44.30 2qb9 s LEU 90 CO 0.60 -1.45 0.90 1.51 -1.32 0.00 0.00 176.35 176.59 2qb9 s ASP 91 N 3.33 -0.81 0.00 3.68 3.84 -1.26 -4.74 116.67 120.71 2qb9 s ASP 91 Ca 0.29 0.10 0.00 0.00 -0.00 0.00 0.00 52.55 52.95 2qb9 s ASP 91 Cb -0.13 1.52 0.00 0.00 -1.38 0.00 0.00 42.92 42.93 2qb9 s ASP 91 CO 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 175.17 175.18 2qb9 n LEU 92 N 5.21 0.00 -3.15 2.11 -0.00 -1.26 -5.08 117.00 114.84 2qb9 n LEU 92 Ca 0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.89 2qb9 n LEU 92 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.01 2qb9 n LEU 92 CO -0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 177.39 177.08 2qb9 n ALA 93 N -3.00 -2.66 0.30 1.47 0.00 -1.26 -4.81 120.51 110.55 2qb9 n ALA 93 Ca 0.00 0.66 0.16 0.00 0.00 0.00 0.00 53.44 54.27 2qb9 n ALA 93 Cb 0.00 -2.62 0.96 0.00 0.00 0.00 0.00 19.45 17.79 2qb9 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qb9 h ALA 94 N 2.27 1.46 -0.15 0.00 0.00 -2.03 -2.10 119.26 118.72 2qb9 h ALA 94 Ca -0.25 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2qb9 h ALA 94 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2qb9 h ALA 94 CO 0.19 -0.02 -0.20 0.78 0.00 0.00 0.00 179.25 180.00 2qb9 h GLY 95 N 0.00 0.28 -1.80 0.00 0.00 -1.98 -3.44 103.07 96.12 2qb9 h GLY 95 Ca 0.01 -0.19 -0.47 0.00 0.00 0.00 0.00 47.33 46.67 2qb9 h GLY 95 CO -0.00 0.18 -0.07 -1.34 0.00 0.00 0.00 176.54 175.31 2qb9 s VAL 96 N -4.58 2.29 -0.04 4.60 -7.23 -0.79 -4.41 120.40 110.23 2qb9 s VAL 96 Ca -0.05 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.13 2qb9 s VAL 96 Cb 0.15 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2qb9 s VAL 96 CO 0.75 0.00 0.23 1.51 -0.31 0.00 0.00 175.10 177.27 2qb9 s ASP 97 N -4.63 -0.15 -0.08 4.85 -4.77 -0.91 -4.99 116.67 105.99 2qb9 s ASP 97 Ca 0.62 0.18 0.01 0.00 -3.30 0.00 0.00 52.55 50.05 2qb9 s ASP 97 Cb -0.06 0.36 -0.03 0.00 -1.09 0.00 0.00 42.92 42.10 2qb9 s ASP 97 CO 0.39 -0.26 -0.10 0.68 0.70 0.00 0.00 175.17 176.59 2qb9 s VAL 98 N -0.68 3.45 -0.17 2.11 -7.23 -1.26 -2.65 120.40 113.97 2qb9 s VAL 98 Ca -0.08 -0.56 0.14 0.00 -1.81 0.00 0.00 61.98 59.67 2qb9 s VAL 98 Cb -0.04 -2.41 0.39 0.00 0.56 0.00 0.00 36.38 34.87 2qb9 s VAL 98 CO 0.02 0.57 1.20 0.00 -0.31 0.00 0.00 175.10 176.58 2qb9 n GLN 99 N 2.61 1.32 -1.40 4.82 6.02 0.10 -4.98 117.38 125.87 2qb9 n GLN 99 Ca -0.18 -2.98 -0.49 0.00 -0.01 0.00 0.00 57.00 53.35 2qb9 n GLN 99 Cb 0.53 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 30.26 2qb9 n GLN 99 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qb9 n ILE 100 N -0.96 0.00 -4.01 5.09 -5.35 -1.26 -4.22 119.36 108.65 2qb9 n ILE 100 Ca 0.17 -0.01 -0.26 0.00 -0.27 0.00 0.00 62.75 62.38 2qb9 n ILE 100 Cb 0.73 -0.54 -0.04 0.00 -1.74 0.00 0.00 39.64 38.05 2qb9 n ILE 100 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2qb9 s SER 101 N 7.76 4.57 0.00 7.28 0.01 -0.75 -4.92 113.70 127.65 2qb9 s SER 101 Ca 1.29 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 57.41 2qb9 s SER 101 Cb -1.34 -0.02 0.16 0.00 0.21 0.00 0.00 66.02 65.03 2qb9 s SER 101 CO 0.56 -0.82 0.65 0.18 0.41 0.00 0.00 173.24 174.21