#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s ILE 6 N 0.00 4.06 0.21 8.89 1.01 0.21 -4.68 121.20 130.90 2qbd s ILE 6 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 2qbd s ILE 6 Cb 0.00 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.63 2qbd s ILE 6 CO 0.00 0.50 0.49 -0.13 0.00 0.00 0.00 174.94 175.80 2qbd s ARG 7 N 0.26 3.71 -0.35 2.79 0.52 0.22 0.98 118.95 127.09 2qbd s ARG 7 Ca -0.02 0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.30 2qbd s ARG 7 Cb -0.14 -2.71 0.12 0.00 0.52 0.00 0.00 34.95 32.74 2qbd s ARG 7 CO 0.02 0.35 0.18 0.42 0.02 0.00 0.00 175.30 176.29 2qbd s ILE 8 N -1.81 0.62 -0.59 1.52 1.01 -1.16 -1.81 121.20 118.98 2qbd s ILE 8 Ca 0.45 -1.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.14 2qbd s ILE 8 Cb -0.11 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.93 2qbd s ILE 8 CO 0.24 -0.84 1.10 -0.13 0.00 0.00 0.00 174.94 175.31 2qbd s ARG 9 N 1.20 3.40 -0.18 2.79 1.81 0.87 -4.10 118.95 124.74 2qbd s ARG 9 Ca 0.14 -0.02 -0.08 0.00 -1.72 0.00 0.00 55.73 54.05 2qbd s ARG 9 Cb -0.21 -4.05 -0.04 0.00 -0.45 0.00 0.00 34.95 30.20 2qbd s ARG 9 CO -0.12 -1.66 0.08 -0.51 -0.68 0.00 0.00 175.30 172.41 2qbd s LEU 10 N 4.63 3.97 -0.03 2.53 1.43 -0.72 -0.51 118.68 129.98 2qbd s LEU 10 Ca 0.37 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2qbd s LEU 10 Cb -0.10 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2qbd s LEU 10 CO 0.22 0.21 0.02 -0.54 0.23 0.00 0.00 176.35 176.49 2qbd s LYS 11 N 0.16 0.19 0.02 1.70 1.02 0.77 -0.77 119.74 122.83 2qbd s LYS 11 Ca 0.06 0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 2qbd s LYS 11 Cb -0.12 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 2qbd s LYS 11 CO -0.00 -0.20 -0.01 0.00 -0.92 0.00 0.00 175.35 174.22 2qbd s ALA 12 N 1.39 0.07 -2.00 5.17 0.00 -1.13 0.12 121.76 125.38 2qbd s ALA 12 Ca -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2qbd s ALA 12 Cb -0.13 0.15 0.27 0.00 0.00 0.00 0.00 23.12 23.41 2qbd s ALA 12 CO -0.03 -0.17 1.06 1.19 0.00 0.00 0.00 175.76 177.82 2qbd n PHE 13 N 1.56 0.00 -3.64 0.00 0.99 -1.26 -1.47 117.46 113.63 2qbd n PHE 13 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.17 2qbd n PHE 13 Cb 0.55 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.97 2qbd n PHE 13 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qbd s ASP 14 N -1.26 -0.99 0.28 4.37 1.47 -1.26 -4.73 116.67 114.55 2qbd s ASP 14 Ca 0.07 1.50 0.01 0.00 1.18 0.00 0.00 52.55 55.30 2qbd s ASP 14 Cb 0.03 1.69 0.63 0.00 -0.34 0.00 0.00 42.92 44.93 2qbd s ASP 14 CO 0.05 -0.23 1.72 1.12 0.68 0.00 0.00 175.17 178.51 2qbd h HIS 15 N 7.30 0.64 -0.58 2.11 2.07 -1.92 -1.58 115.15 123.20 2qbd h HIS 15 Ca -0.26 0.04 0.11 0.00 -2.85 0.00 0.00 60.37 57.41 2qbd h HIS 15 Cb 1.18 -0.15 -0.11 0.00 2.57 0.00 0.00 27.41 30.90 2qbd h HIS 15 CO 0.09 0.02 -0.27 0.00 -3.07 0.00 0.00 177.93 174.71 2qbd h ARG 16 N 0.46 -0.11 0.16 5.12 3.08 -1.98 0.28 114.38 121.38 2qbd h ARG 16 Ca 0.51 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.56 2qbd h ARG 16 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2qbd h ARG 16 CO -0.47 -0.07 -0.08 1.25 -1.07 0.00 0.00 179.97 179.53 2qbd h LEU 17 N -0.12 -0.18 -1.00 3.04 7.12 -1.73 -3.12 115.31 119.33 2qbd h LEU 17 Ca 0.25 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 58.11 2qbd h LEU 17 Cb 0.52 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.64 2qbd h LEU 17 CO -0.65 0.09 0.65 -0.29 -0.13 0.00 0.00 178.44 178.10 2qbd h ILE 18 N -0.45 1.18 -0.91 4.05 6.09 -0.95 -2.13 117.51 124.40 2qbd h ILE 18 Ca -0.02 -0.44 0.05 0.00 -1.37 0.00 0.00 64.86 63.08 2qbd h ILE 18 Cb 0.35 -0.20 -0.06 0.00 0.47 0.00 0.00 36.82 37.39 2qbd h ILE 18 CO 0.04 0.23 0.59 0.44 -3.07 0.00 0.00 178.15 176.38 2qbd h ASP 19 N 1.27 0.95 0.16 2.19 3.45 -0.46 -1.20 116.42 122.78 2qbd h ASP 19 Ca 0.39 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.84 2qbd h ASP 19 Cb -0.02 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 2qbd h ASP 19 CO -0.12 0.63 -0.08 1.56 -1.57 0.00 0.00 179.24 179.66 2qbd h GLN 20 N 1.09 -0.21 -0.49 3.56 4.20 -1.37 0.20 115.11 122.09 2qbd h GLN 20 Ca 0.37 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.24 2qbd h GLN 20 Cb 0.10 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2qbd h GLN 20 CO -0.13 0.22 0.48 0.00 -0.67 0.00 0.00 178.83 178.74 2qbd h ALA 21 N -0.23 2.25 0.00 3.87 0.00 -1.25 -0.23 119.26 123.66 2qbd h ALA 21 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2qbd h ALA 21 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2qbd h ALA 21 CO 0.04 -0.74 -0.39 1.15 0.00 0.00 0.00 179.25 179.31 2qbd h THR 22 N 0.00 0.95 -0.99 0.00 2.02 -1.15 -3.03 112.91 110.72 2qbd h THR 22 Ca 0.23 -1.84 0.25 0.00 0.77 0.00 0.00 66.41 65.82 2qbd h THR 22 Cb 1.20 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 69.46 2qbd h THR 22 CO -0.00 0.32 0.66 0.00 0.37 0.00 0.00 175.52 176.87 2qbd h ALA 23 N -0.47 2.38 0.23 6.16 0.00 0.10 0.69 119.26 128.35 2qbd h ALA 23 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qbd h ALA 23 Cb 0.80 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2qbd h ALA 23 CO -0.05 -0.71 -0.11 0.93 0.00 0.00 0.00 179.25 179.30 2qbd h GLU 24 N 0.32 -0.30 -0.81 0.00 5.08 -1.21 -0.79 114.58 116.87 2qbd h GLU 24 Ca 0.53 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 59.08 2qbd h GLU 24 Cb 1.48 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.68 2qbd h GLU 24 CO -0.19 -0.03 0.29 0.82 -1.00 0.00 0.00 179.01 178.90 2qbd h ILE 25 N -1.01 0.54 -0.08 3.13 2.04 -1.25 0.39 117.51 121.27 2qbd h ILE 25 Ca -0.03 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2qbd h ILE 25 Cb 0.41 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2qbd h ILE 25 CO 0.05 0.07 0.00 0.58 0.00 0.00 0.00 178.15 178.86 2qbd h VAL 26 N 0.37 1.24 0.26 1.67 2.07 -0.95 -0.98 116.25 119.93 2qbd h VAL 26 Ca 0.47 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qbd h VAL 26 Cb 0.81 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2qbd h VAL 26 CO -0.49 0.21 -0.28 -0.08 0.02 0.00 0.00 177.57 176.95 2qbd h GLU 27 N -0.13 -0.56 -0.54 1.57 4.81 0.13 -2.71 114.58 117.15 2qbd h GLU 27 Ca 0.02 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2qbd h GLU 27 Cb 0.32 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2qbd h GLU 27 CO 0.00 -0.37 0.28 1.79 -0.73 0.00 0.00 179.01 179.98 2qbd h THR 28 N -0.58 1.19 -0.69 0.32 1.35 -1.03 -2.67 112.91 110.80 2qbd h THR 28 Ca -0.01 -0.52 0.20 0.00 -0.55 0.00 0.00 66.41 65.54 2qbd h THR 28 Cb 0.54 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2qbd h THR 28 CO -0.07 0.21 0.52 0.00 -0.25 0.00 0.00 175.52 175.93 2qbd h ALA 29 N 1.11 2.61 -0.10 6.62 0.00 -0.97 -1.64 119.26 126.88 2qbd h ALA 29 Ca 0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2qbd h ALA 29 Cb 0.08 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qbd h ALA 29 CO -0.03 -0.88 -0.49 0.87 0.00 0.00 0.00 179.25 178.73 2qbd h LYS 30 N 0.00 0.51 0.00 0.00 1.57 -1.16 -2.99 116.57 114.51 2qbd h LYS 30 Ca 0.33 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2qbd h LYS 30 Cb 1.36 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2qbd h LYS 30 CO -0.00 1.04 0.00 0.54 -0.57 0.00 0.00 179.45 180.46 2qbd n ARG 31 N -4.24 0.94 -0.43 3.15 1.74 -0.66 -2.82 116.66 114.33 2qbd n ARG 31 Ca -0.08 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.08 2qbd n ARG 31 Cb 0.59 -1.41 0.26 0.00 -1.02 0.00 0.00 32.46 30.88 2qbd n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2qbd n THR 32 N -0.91 1.82 0.00 0.55 5.66 -0.98 -4.98 114.28 115.43 2qbd n THR 32 Ca 0.18 -1.42 0.00 0.00 -3.05 0.00 0.00 64.05 59.76 2qbd n THR 32 Cb 0.08 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 2qbd n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbd n GLY 33 N 0.26 2.87 3.07 1.09 0.00 -1.13 -3.56 105.19 107.78 2qbd n GLY 33 Ca 0.20 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2qbd n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbd n ALA 34 N 0.00 -4.90 -0.01 4.61 0.00 -1.14 -4.93 120.51 114.14 2qbd n ALA 34 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 52.93 2qbd n ALA 34 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 2qbd n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbd n GLN 35 N 2.09 0.57 -1.23 0.00 10.64 -1.26 -4.37 117.38 123.82 2qbd n GLN 35 Ca 0.00 -0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2qbd n GLN 35 Cb 0.54 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.58 2qbd n GLN 35 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2qbd n VAL 36 N -2.04 -4.35 1.45 -0.39 0.31 -1.26 -4.77 118.33 107.28 2qbd n VAL 36 Ca -0.04 1.86 0.14 0.00 -0.01 0.00 0.00 64.34 66.28 2qbd n VAL 36 Cb 0.42 -2.56 0.49 0.00 -0.91 0.00 0.00 33.84 31.28 2qbd n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2qbd n ARG 37 N -0.92 1.72 0.00 5.55 3.00 -1.11 -4.84 116.66 120.07 2qbd n ARG 37 Ca 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.80 2qbd n ARG 37 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 30.98 2qbd n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbd n GLY 38 N 1.19 -0.09 3.68 5.14 0.00 -1.26 -4.96 105.19 108.89 2qbd n GLY 38 Ca 0.19 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2qbd n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbd s PRO 39 N -5.27 4.26 -0.07 1.61 0.04 -1.26 -4.02 135.00 130.29 2qbd s PRO 39 Ca 0.00 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2qbd s PRO 39 Cb 0.00 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2qbd s PRO 39 CO 0.00 -0.64 0.04 0.42 0.04 0.00 0.00 177.00 176.86 2qbd s ILE 40 N 2.85 4.55 -0.09 0.56 1.01 -1.26 -4.84 121.20 123.98 2qbd s ILE 40 Ca 0.64 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.91 2qbd s ILE 40 Cb -0.30 -2.96 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 2qbd s ILE 40 CO 0.25 0.55 0.53 1.55 0.00 0.00 0.00 174.94 177.82 2qbd h PRO 41 N 4.91 -0.12 -2.43 2.79 0.13 -1.95 0.45 132.00 135.78 2qbd h PRO 41 Ca -0.51 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 64.81 2qbd h PRO 41 Cb 1.20 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2qbd h PRO 41 CO 0.56 0.28 -0.82 1.28 -0.23 0.00 0.00 178.00 179.07 2qbd n LEU 42 N -4.82 -0.81 -4.62 1.56 4.32 -1.26 -4.16 117.00 107.20 2qbd n LEU 42 Ca -0.06 1.73 -0.31 0.00 -0.02 0.00 0.00 56.01 57.35 2qbd n LEU 42 Cb 0.22 -2.01 0.17 0.00 -1.62 0.00 0.00 43.42 40.18 2qbd n LEU 42 CO 0.18 -1.23 0.55 -0.81 -1.22 0.00 0.00 177.39 174.86 2qbd n PRO 43 N -3.27 -0.51 -3.93 3.23 -0.04 -1.26 -4.80 135.00 124.42 2qbd n PRO 43 Ca -0.05 -0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 2qbd n PRO 43 Cb 0.43 -2.29 -0.14 0.00 -0.04 0.00 0.00 33.50 31.47 2qbd n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2qbd s THR 44 N -2.59 2.69 -0.00 0.52 2.01 -1.26 -4.68 115.64 112.32 2qbd s THR 44 Ca 0.65 -2.81 -0.32 0.00 0.31 0.00 0.00 61.69 59.52 2qbd s THR 44 Cb -0.23 -2.89 -0.11 0.00 0.01 0.00 0.00 72.50 69.29 2qbd s THR 44 CO 0.60 -0.73 1.91 0.54 -0.69 0.00 0.00 174.62 176.25 2qbd n ARG 45 N 3.70 2.55 -4.04 4.92 5.12 -1.24 -4.70 116.66 122.98 2qbd n ARG 45 Ca 0.04 0.93 -0.32 0.00 -1.93 0.00 0.00 57.85 56.58 2qbd n ARG 45 Cb 0.37 -2.83 -0.15 0.00 -1.16 0.00 0.00 32.46 28.69 2qbd n ARG 45 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2qbd s LYS 46 N 3.98 2.02 -0.05 5.56 -2.85 -1.26 -1.98 119.74 125.15 2qbd s LYS 46 Ca 0.89 -1.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 2qbd s LYS 46 Cb -0.56 -3.02 -0.03 0.00 -2.06 0.00 0.00 37.83 32.16 2qbd s LYS 46 CO 0.45 -0.70 1.18 -1.21 0.10 0.00 0.00 175.35 175.18 2qbd s GLU 47 N 1.05 4.37 0.12 1.78 8.01 -1.09 -4.82 118.70 128.12 2qbd s GLU 47 Ca -0.02 1.65 0.08 0.00 0.01 0.00 0.00 54.97 56.68 2qbd s GLU 47 Cb -0.20 -3.54 -0.04 0.00 -4.31 0.00 0.00 34.13 26.04 2qbd s GLU 47 CO -0.06 -0.41 -0.10 1.03 0.01 0.00 0.00 175.26 175.73 2qbd s ARG 48 N 2.09 2.11 0.02 1.61 0.52 -1.26 -0.24 118.95 123.79 2qbd s ARG 48 Ca 0.55 -1.09 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 2qbd s ARG 48 Cb -0.24 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 2qbd s ARG 48 CO 0.22 0.49 -0.07 -0.06 0.02 0.00 0.00 175.30 175.90 2qbd s PHE 49 N -1.34 0.65 -0.13 -0.53 0.40 0.18 -4.95 117.98 112.26 2qbd s PHE 49 Ca 0.22 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2qbd s PHE 49 Cb -0.10 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.04 2qbd s PHE 49 CO 0.14 -0.03 -0.19 0.99 0.70 0.00 0.00 175.22 176.83 2qbd s THR 50 N -0.70 1.82 -0.03 0.64 2.01 -1.25 -0.19 115.64 117.94 2qbd s THR 50 Ca -0.03 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 2qbd s THR 50 Cb -0.06 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.83 2qbd s THR 50 CO 0.00 0.50 0.08 0.54 -0.69 0.00 0.00 174.62 175.06 2qbd s VAL 51 N 0.97 -0.02 0.04 3.82 0.11 -0.37 -4.86 120.40 120.10 2qbd s VAL 51 Ca -0.05 0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 58.77 2qbd s VAL 51 Cb -0.15 -0.13 -0.10 0.00 -1.53 0.00 0.00 36.38 34.47 2qbd s VAL 51 CO -0.03 0.03 1.91 0.18 -3.33 0.00 0.00 175.10 173.86 2qbd n LEU 52 N 3.50 3.99 0.14 2.54 4.32 -1.26 -0.11 117.00 130.11 2qbd n LEU 52 Ca -0.18 0.94 -0.00 0.00 -0.02 0.00 0.00 56.01 56.75 2qbd n LEU 52 Cb 0.56 -1.50 0.14 0.00 -1.62 0.00 0.00 43.42 40.99 2qbd n LEU 52 CO 0.22 0.14 0.47 -0.29 -1.22 0.00 0.00 177.39 176.71 2qbd h ILE 53 N 5.27 1.27 -3.11 -0.08 2.10 -1.84 -3.44 117.51 117.68 2qbd h ILE 53 Ca -0.49 -2.24 -0.64 0.00 1.08 0.00 0.00 64.86 62.57 2qbd h ILE 53 Cb 1.24 2.27 -0.13 0.00 -1.09 0.00 0.00 36.82 39.11 2qbd h ILE 53 CO 0.94 0.60 -0.54 -0.55 -1.08 0.00 0.00 178.15 177.52 2qbd s SER 54 N -6.65 5.84 0.05 2.19 0.15 -1.26 -5.02 113.70 109.00 2qbd s SER 54 Ca 0.00 0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.57 2qbd s SER 54 Cb 0.11 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2qbd s SER 54 CO 0.75 0.28 1.01 -2.16 1.20 0.00 0.00 173.24 174.32 2qbd s PRO 55 N -0.27 4.58 0.21 5.44 0.04 -1.26 -4.71 135.00 139.03 2qbd s PRO 55 Ca 0.09 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2qbd s PRO 55 Cb -0.12 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2qbd s PRO 55 CO 0.01 0.00 0.00 1.58 0.04 0.00 0.00 177.00 178.63 2qbd n HIS 56 N 3.52 -3.68 -1.58 0.56 -0.00 -1.26 -4.96 115.22 107.81 2qbd n HIS 56 Ca 0.05 2.10 0.15 0.00 -0.00 0.00 0.00 57.72 60.02 2qbd n HIS 56 Cb 0.50 -3.22 -0.04 0.00 -0.00 0.00 0.00 29.99 27.23 2qbd n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2qbd n VAL 57 N 0.94 0.00 -2.46 3.57 3.14 -1.26 -5.01 118.33 117.24 2qbd n VAL 57 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 2qbd n VAL 57 Cb 0.00 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 2qbd n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qbd n ASN 58 N -4.20 -6.55 0.09 6.55 3.02 -1.26 -4.82 115.26 108.09 2qbd n ASN 58 Ca 0.01 0.81 -0.18 0.00 -0.03 0.00 0.00 54.58 55.19 2qbd n ASN 58 Cb 0.50 -4.31 -0.14 0.00 -0.61 0.00 0.00 39.78 35.22 2qbd n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2qbd h LYS 59 N 1.98 0.31 0.00 3.52 2.10 -1.95 -3.28 116.57 119.25 2qbd h LYS 59 Ca 0.00 -0.53 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2qbd h LYS 59 Cb 0.31 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2qbd h LYS 59 CO 0.11 1.21 0.00 -0.25 -2.00 0.00 0.00 179.45 178.52 2qbd n ASP 60 N -3.53 0.00 0.00 7.07 9.92 -1.26 -3.69 116.55 125.06 2qbd n ASP 60 Ca -0.14 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2qbd n ASP 60 Cb 1.05 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 2qbd n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qbd n ALA 61 N -1.31 0.00 -0.99 2.24 0.00 -1.24 -4.99 120.51 114.23 2qbd n ALA 61 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2qbd n ALA 61 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2qbd n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbd n ARG 62 N -0.41 -1.97 -3.65 0.00 5.12 -1.24 -4.71 116.66 109.80 2qbd n ARG 62 Ca 0.00 1.32 0.00 0.00 -1.93 0.00 0.00 57.85 57.24 2qbd n ARG 62 Cb 0.00 -2.42 -0.06 0.00 -1.16 0.00 0.00 32.46 28.82 2qbd n ARG 62 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2qbd s ASP 63 N -5.19 -0.26 -0.20 0.55 2.15 0.84 -3.74 116.67 110.81 2qbd s ASP 63 Ca 0.00 0.42 -0.14 0.00 0.43 0.00 0.00 52.55 53.26 2qbd s ASP 63 Cb 0.00 1.11 -0.04 0.00 -0.30 0.00 0.00 42.92 43.69 2qbd s ASP 63 CO 0.00 -0.07 0.31 -1.10 -0.17 0.00 0.00 175.17 174.14 2qbd s GLN 64 N 1.18 4.17 0.24 4.34 -1.52 -1.25 -1.23 119.66 125.59 2qbd s GLN 64 Ca -0.09 0.05 0.10 0.00 -1.95 0.00 0.00 55.36 53.47 2qbd s GLN 64 Cb -0.03 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.21 2qbd s GLN 64 CO -0.12 0.06 -0.18 0.71 -0.25 0.00 0.00 175.29 175.52 2qbd s TYR 65 N 1.01 2.02 -0.16 0.91 4.12 0.74 -4.94 117.35 121.05 2qbd s TYR 65 Ca 0.15 -0.44 -0.26 0.00 0.02 0.00 0.00 57.07 56.54 2qbd s TYR 65 Cb -0.14 -0.91 0.06 0.00 -1.52 0.00 0.00 41.96 39.46 2qbd s TYR 65 CO 0.06 0.54 0.65 -1.83 0.02 0.00 0.00 175.55 174.99 2qbd s GLU 66 N -3.50 0.89 -0.34 -0.62 -1.05 -1.26 0.52 118.70 113.33 2qbd s GLU 66 Ca 0.26 0.60 0.03 0.00 -0.15 0.00 0.00 54.97 55.71 2qbd s GLU 66 Cb -0.03 0.42 0.10 0.00 -0.44 0.00 0.00 34.13 34.18 2qbd s GLU 66 CO 0.11 -0.19 0.07 0.42 0.95 0.00 0.00 175.26 176.61 2qbd s ILE 67 N -0.36 2.01 -0.59 1.83 1.01 0.67 -4.97 121.20 120.80 2qbd s ILE 67 Ca -0.05 -2.20 -0.28 0.00 0.00 0.00 0.00 60.65 58.12 2qbd s ILE 67 Cb -0.03 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.98 2qbd s ILE 67 CO 0.05 -0.62 1.27 -0.13 0.00 0.00 0.00 174.94 175.50 2qbd s ARG 68 N 0.99 3.43 -0.70 2.79 0.52 -1.26 -2.67 118.95 122.05 2qbd s ARG 68 Ca 0.11 0.27 -0.19 0.00 -0.52 0.00 0.00 55.73 55.40 2qbd s ARG 68 Cb -0.19 -4.06 0.11 0.00 0.52 0.00 0.00 34.95 31.33 2qbd s ARG 68 CO -0.11 -1.80 0.85 0.99 0.02 0.00 0.00 175.30 175.25 2qbd s THR 69 N 5.35 4.79 0.95 0.02 2.01 -0.84 -4.35 115.64 123.57 2qbd s THR 69 Ca 0.45 -1.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 2qbd s THR 69 Cb -0.08 -4.59 0.17 0.00 0.01 0.00 0.00 72.50 68.01 2qbd s THR 69 CO 0.24 -1.26 1.20 -1.00 -0.69 0.00 0.00 174.62 173.11 2qbd s HIS 70 N 2.69 2.00 -0.10 4.92 0.09 -0.54 -3.61 115.29 120.74 2qbd s HIS 70 Ca 0.19 0.61 -0.31 0.00 -0.00 0.00 0.00 55.06 55.54 2qbd s HIS 70 Cb -0.17 -3.65 0.12 0.00 -0.00 0.00 0.00 32.58 28.88 2qbd s HIS 70 CO 0.02 -2.58 1.04 -0.48 -0.00 0.00 0.00 174.74 172.74 2qbd s LEU 71 N -6.04 -0.27 0.09 0.89 2.34 -1.26 -2.86 118.68 111.57 2qbd s LEU 71 Ca 0.68 0.04 0.04 0.00 0.06 0.00 0.00 54.13 54.94 2qbd s LEU 71 Cb -0.10 1.73 -0.03 0.00 -0.56 0.00 0.00 46.19 47.23 2qbd s LEU 71 CO 0.53 -0.43 -0.11 -0.13 -1.06 0.00 0.00 176.35 175.15 2qbd s ARG 72 N -2.61 0.82 -0.25 1.48 1.81 0.05 -4.48 118.95 115.77 2qbd s ARG 72 Ca 0.06 -1.08 -0.13 0.00 -1.72 0.00 0.00 55.73 52.86 2qbd s ARG 72 Cb -0.01 -0.59 -0.16 0.00 -0.45 0.00 0.00 34.95 33.75 2qbd s ARG 72 CO -0.06 0.10 -0.14 -0.11 -0.68 0.00 0.00 175.30 174.41 2qbd n LEU 73 N 0.81 2.11 0.00 2.53 -0.00 0.15 -1.75 117.00 120.85 2qbd n LEU 73 Ca -0.18 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2qbd n LEU 73 Cb 0.57 -0.89 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 2qbd n LEU 73 CO 0.25 0.57 0.00 0.52 -0.00 0.00 0.00 177.39 178.73 2qbd n VAL 74 N -4.11 0.00 -2.16 1.96 0.31 -1.26 -2.99 118.33 110.08 2qbd n VAL 74 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2qbd n VAL 74 Cb 0.86 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 2qbd n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbd n ASP 75 N 5.04 -5.97 -4.67 4.52 -0.08 -1.26 -4.13 116.55 110.01 2qbd n ASP 75 Ca 0.00 1.50 -0.27 0.00 -1.51 0.00 0.00 54.79 54.51 2qbd n ASP 75 Cb 0.00 -3.84 -0.08 0.00 2.34 0.00 0.00 41.12 39.54 2qbd n ASP 75 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2qbd s ILE 76 N -0.37 3.76 0.21 5.18 -5.25 0.28 -2.73 121.20 122.28 2qbd s ILE 76 Ca 0.00 -1.37 0.03 0.00 -0.99 0.00 0.00 60.65 58.32 2qbd s ILE 76 Cb 0.00 -2.88 0.04 0.00 2.95 0.00 0.00 42.46 42.57 2qbd s ILE 76 CO 0.00 -0.08 0.30 0.52 -1.79 0.00 0.00 174.94 173.88 2qbd n VAL 77 N -0.05 0.00 -3.56 8.37 0.31 -1.26 0.63 118.33 122.77 2qbd n VAL 77 Ca -0.10 -0.70 -0.19 0.00 -0.01 0.00 0.00 64.34 63.35 2qbd n VAL 77 Cb 0.55 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 2qbd n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qbd n GLU 78 N -1.47 -1.53 -0.44 5.55 4.71 -1.26 -4.28 120.64 121.91 2qbd n GLU 78 Ca 0.06 1.02 -0.21 0.00 -0.01 0.00 0.00 57.16 58.03 2qbd n GLU 78 Cb 0.22 -3.25 -0.04 0.00 -1.01 0.00 0.00 31.44 27.37 2qbd n GLU 78 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2qbd n PRO 79 N -2.20 0.73 -1.65 3.49 -0.04 -1.26 -4.41 135.00 129.66 2qbd n PRO 79 Ca -0.21 -1.03 -0.40 0.00 -0.04 0.00 0.00 63.50 61.82 2qbd n PRO 79 Cb 0.64 -2.34 0.03 0.00 -0.04 0.00 0.00 33.50 31.79 2qbd n PRO 79 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qbd n THR 80 N 5.35 3.00 -0.01 0.52 -1.04 -1.26 -4.82 114.28 116.01 2qbd n THR 80 Ca 0.28 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.68 2qbd n THR 80 Cb 0.17 -1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 67.33 2qbd n THR 80 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2qbd h GLU 81 N 1.35 -0.36 -0.99 -2.82 4.22 -1.90 -0.73 114.58 113.35 2qbd h GLU 81 Ca -0.47 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.05 2qbd h GLU 81 Cb 1.33 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 2qbd h GLU 81 CO 0.56 -0.24 0.64 0.87 -2.18 0.00 0.00 179.01 178.66 2qbd h LYS 82 N -0.37 1.15 -0.49 1.92 1.57 -1.90 -2.92 116.57 115.52 2qbd h LYS 82 Ca 0.10 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2qbd h LYS 82 Cb 0.54 -0.26 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2qbd h LYS 82 CO -0.37 0.76 0.01 1.15 -0.57 0.00 0.00 179.45 180.43 2qbd h THR 83 N 1.19 0.63 0.92 -0.16 2.02 -1.20 0.12 112.91 116.43 2qbd h THR 83 Ca 0.42 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 2qbd h THR 83 Cb 0.12 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2qbd h THR 83 CO -0.16 0.02 -0.49 0.58 0.37 0.00 0.00 175.52 175.84 2qbd h VAL 84 N 0.13 0.00 -0.43 3.16 2.07 -1.25 -2.93 116.25 116.98 2qbd h VAL 84 Ca 0.25 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.80 2qbd h VAL 84 Cb 0.37 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2qbd h VAL 84 CO -0.40 0.00 0.22 -2.24 0.02 0.00 0.00 177.57 175.17 2qbd h ASP 85 N -1.30 0.31 -0.35 0.57 2.03 -1.58 -1.10 116.42 114.99 2qbd h ASP 85 Ca -0.12 0.02 0.10 0.00 -0.73 0.00 0.00 57.03 56.30 2qbd h ASP 85 Cb 1.02 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 2qbd h ASP 85 CO 0.17 0.22 0.65 0.00 -1.03 0.00 0.00 179.24 179.26 2qbd h ALA 86 N 1.23 2.04 0.16 4.15 0.00 -0.70 0.66 119.26 126.81 2qbd h ALA 86 Ca 0.19 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 2qbd h ALA 86 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qbd h ALA 86 CO -0.13 -0.84 -1.66 -0.07 0.00 0.00 0.00 179.25 176.55 2qbd h LEU 87 N 0.00 0.52 -1.84 0.00 4.07 -1.02 -2.75 115.31 114.30 2qbd h LEU 87 Ca 0.17 -0.76 -0.03 0.00 0.08 0.00 0.00 57.88 57.34 2qbd h LEU 87 Cb 1.47 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 2qbd h LEU 87 CO -0.00 1.64 -0.14 0.24 -1.08 0.00 0.00 178.44 179.10 2qbd h MET 88 N 0.09 0.00 0.01 1.13 2.86 0.39 -2.72 114.93 116.69 2qbd h MET 88 Ca -0.30 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 2qbd h MET 88 Cb 2.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.73 2qbd h MET 88 CO 0.17 0.14 -0.09 -0.09 1.06 0.00 0.00 176.91 178.10 2qbd h ARG 89 N 0.00 0.05 -6.06 1.72 9.65 -1.20 -3.43 114.38 115.11 2qbd h ARG 89 Ca -0.00 -0.06 -0.59 0.00 -1.10 0.00 0.00 59.98 58.23 2qbd h ARG 89 Cb 0.35 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.87 2qbd h ARG 89 CO 0.02 0.89 0.67 -1.17 2.80 0.00 0.00 179.97 183.18 2qbd s LEU 90 N -8.47 4.02 -0.27 3.80 2.96 -1.03 -4.99 118.68 114.70 2qbd s LEU 90 Ca -0.17 0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 54.45 2qbd s LEU 90 Cb -0.01 -3.37 0.15 0.00 0.50 0.00 0.00 46.19 43.47 2qbd s LEU 90 CO 0.71 -0.74 1.19 1.51 -1.32 0.00 0.00 176.35 177.70 2qbd s ASP 91 N 1.55 -0.27 0.00 3.68 3.84 -1.26 -4.80 116.67 119.40 2qbd s ASP 91 Ca 0.40 0.48 0.00 0.00 -0.00 0.00 0.00 52.55 53.43 2qbd s ASP 91 Cb -0.13 0.47 0.00 0.00 -1.38 0.00 0.00 42.92 41.88 2qbd s ASP 91 CO 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 175.17 175.17 2qbd n LEU 92 N 1.64 0.00 -3.04 2.11 -0.00 -1.26 -5.10 117.00 111.34 2qbd n LEU 92 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.88 2qbd n LEU 92 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2qbd n LEU 92 CO 0.04 0.00 -0.47 0.00 -0.00 0.00 0.00 177.39 176.96 2qbd n ALA 93 N -3.00 -2.53 0.61 1.47 0.00 -1.26 -4.75 120.51 111.05 2qbd n ALA 93 Ca 0.00 0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.70 2qbd n ALA 93 Cb 0.00 -0.84 0.29 0.00 0.00 0.00 0.00 19.45 18.90 2qbd n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbd n ALA 94 N 0.98 1.86 -0.11 0.00 0.00 -1.26 -3.01 120.51 118.98 2qbd n ALA 94 Ca -0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2qbd n ALA 94 Cb 0.34 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2qbd n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbd n GLY 95 N -0.39 -0.76 3.33 0.00 0.00 -1.26 -4.98 105.19 101.13 2qbd n GLY 95 Ca 0.07 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2qbd n GLY 95 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbd n VAL 96 N -4.42 0.00 -3.72 1.61 0.24 -1.16 -4.78 118.33 106.10 2qbd n VAL 96 Ca -0.33 -0.36 -0.24 0.00 -2.04 0.00 0.00 64.34 61.36 2qbd n VAL 96 Cb 0.67 -0.75 -0.17 0.00 -1.47 0.00 0.00 33.84 32.12 2qbd n VAL 96 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qbd s ASP 97 N -2.04 2.00 -0.09 -1.34 -1.08 0.33 -4.94 116.67 109.50 2qbd s ASP 97 Ca 0.60 -0.34 -0.06 0.00 -0.52 0.00 0.00 52.55 52.23 2qbd s ASP 97 Cb -0.16 -0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 40.86 2qbd s ASP 97 CO 0.65 -0.26 0.15 0.68 0.52 0.00 0.00 175.17 176.92 2qbd s VAL 98 N 2.00 5.48 -0.36 1.11 -7.23 -1.26 -0.16 120.40 119.99 2qbd s VAL 98 Ca 0.03 0.11 0.03 0.00 -1.81 0.00 0.00 61.98 60.33 2qbd s VAL 98 Cb -0.14 -3.44 0.15 0.00 0.56 0.00 0.00 36.38 33.51 2qbd s VAL 98 CO -0.06 0.53 0.37 -1.58 -0.31 0.00 0.00 175.10 174.05 2qbd s GLN 99 N -1.30 0.60 -0.21 4.82 -0.44 0.33 -4.95 119.66 118.52 2qbd s GLN 99 Ca 0.19 -0.77 -0.16 0.00 -2.50 0.00 0.00 55.36 52.12 2qbd s GLN 99 Cb -0.12 -0.71 -0.04 0.00 -1.64 0.00 0.00 33.01 30.50 2qbd s GLN 99 CO 0.08 -1.18 0.40 0.96 0.50 0.00 0.00 175.29 176.06 2qbd s ILE 100 N 1.55 5.19 0.20 -2.34 -4.36 -1.26 -0.09 121.20 120.09 2qbd s ILE 100 Ca 0.16 0.70 -0.08 0.00 -0.26 0.00 0.00 60.65 61.17 2qbd s ILE 100 Cb -0.15 -3.73 -0.02 0.00 1.25 0.00 0.00 42.46 39.81 2qbd s ILE 100 CO -0.07 0.24 0.31 -0.44 0.24 0.00 0.00 174.94 175.22 2qbd s SER 101 N 1.09 0.03 0.00 4.36 0.01 -0.75 -4.94 113.70 113.49 2qbd s SER 101 Ca 0.19 -1.02 0.17 0.00 1.31 0.00 0.00 55.95 56.59 2qbd s SER 101 Cb -0.15 0.47 1.02 0.00 0.21 0.00 0.00 66.02 67.57 2qbd s SER 101 CO 0.08 -0.96 1.42 0.18 0.41 0.00 0.00 173.24 174.37