#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvo h TYR 2 N 0.00 0.00 0.00 -0.67 -0.00 -2.06 -3.47 116.97 110.77 1nvo h TYR 2 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.73 58.54 1nvo h TYR 2 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 36.73 36.59 1nvo h TYR 2 CO 0.00 0.44 -0.36 1.47 -0.00 0.00 0.00 178.16 179.71 1nvo n LEU 3 N -4.64 -2.37 0.00 0.10 -0.00 -1.26 -4.95 117.00 103.89 1nvo n LEU 3 Ca -0.09 -3.04 0.00 0.00 -0.00 0.00 0.00 56.01 52.87 1nvo n LEU 3 Cb 0.28 0.83 0.00 0.00 -0.00 0.00 0.00 43.42 44.53 1nvo n LEU 3 CO 0.13 1.92 0.00 -2.11 -0.00 0.00 0.00 177.39 177.33 1nvo n ARG 4 N 1.20 0.00 0.06 1.47 1.85 -1.26 -4.92 116.66 115.06 1nvo n ARG 4 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.71 1nvo n ARG 4 Cb 0.67 -0.04 -0.10 0.00 -1.05 0.00 0.00 32.46 31.94 1nvo n ARG 4 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1nvo h GLU 5 N 0.00 0.65 -0.29 2.89 3.07 -1.92 -2.74 114.58 116.23 1nvo h GLU 5 Ca 0.00 -0.73 0.00 0.00 -0.50 0.00 0.00 59.36 58.13 1nvo h GLU 5 Cb 0.12 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1nvo h GLU 5 CO 0.00 1.31 0.00 1.28 -1.40 0.00 0.00 179.01 180.20 1nvo n LEU 6 N -3.83 0.29 0.02 1.33 4.32 -1.26 -0.73 117.00 117.15 1nvo n LEU 6 Ca -0.11 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1nvo n LEU 6 Cb 0.90 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 1nvo n LEU 6 CO 0.56 0.07 -0.22 0.00 -1.22 0.00 0.00 177.39 176.58 1nvo n LEU 7 N -0.19 0.10 -0.04 2.23 -0.00 -1.24 -4.65 117.00 113.21 1nvo n LEU 7 Ca 0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 1nvo n LEU 7 Cb 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.43 1nvo n LEU 7 CO 0.00 -0.34 0.71 0.50 -0.00 0.00 0.00 177.39 178.26 1nvo h LYS 8 N 0.00 0.24 -0.57 1.47 3.64 -1.23 0.11 116.57 120.24 1nvo h LYS 8 Ca 0.00 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1nvo h LYS 8 Cb 0.44 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1nvo h LYS 8 CO 0.00 0.53 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.59 1nvo h LEU 9 N -0.06 1.01 -0.66 5.20 3.38 -1.15 -2.78 115.31 120.26 1nvo h LEU 9 Ca 0.03 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1nvo h LEU 9 Cb 0.43 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1nvo h LEU 9 CO 0.01 1.09 0.39 -0.33 0.09 0.00 0.00 178.44 179.69 1nvo h GLU 10 N 0.92 0.72 -0.83 1.13 4.39 -1.50 -1.34 114.58 118.08 1nvo h GLU 10 Ca 0.16 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.84 1nvo h GLU 10 Cb 0.60 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1nvo h GLU 10 CO 0.04 0.48 0.54 1.25 -1.16 0.00 0.00 179.01 180.16 1nvo h LEU 11 N 0.75 0.91 -2.58 1.33 6.46 -0.63 0.33 115.31 121.88 1nvo h LEU 11 Ca 0.28 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1nvo h LEU 11 Cb 0.09 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1nvo h LEU 11 CO -0.14 0.64 0.10 1.56 -0.62 0.00 0.00 178.44 179.98 1nvo h GLN 12 N 1.07 0.00 0.49 1.25 4.20 -0.98 0.12 115.11 121.27 1nvo h GLN 12 Ca 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1nvo h GLN 12 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1nvo h GLN 12 CO -0.10 0.00 -0.24 -0.07 -0.67 0.00 0.00 178.83 177.75 1nvo h LEU 13 N 0.00 -0.56 -0.86 1.46 3.38 -0.54 0.20 115.31 118.40 1nvo h LEU 13 Ca 0.02 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1nvo h LEU 13 Cb 0.21 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1nvo h LEU 13 CO -0.00 -0.15 0.47 0.40 0.09 0.00 0.00 178.44 179.26 1nvo h ILE 14 N -1.17 0.82 0.47 1.22 5.03 -1.36 0.43 117.51 122.94 1nvo h ILE 14 Ca -0.07 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1nvo h ILE 14 Cb 0.51 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.31 1nvo h ILE 14 CO 0.11 0.13 -0.39 0.50 -0.68 0.00 0.00 178.15 177.83 1nvo h LYS 15 N 0.73 -0.82 -0.56 2.37 1.63 -1.00 -2.38 116.57 116.54 1nvo h LYS 15 Ca 0.44 0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 60.27 1nvo h LYS 15 Cb 0.53 0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 1nvo h LYS 15 CO -0.31 -0.54 0.22 1.96 -3.45 0.00 0.00 179.45 177.33 1nvo h GLN 16 N -0.85 0.81 -0.29 1.90 1.08 0.69 -1.44 115.11 117.01 1nvo h GLN 16 Ca -0.05 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1nvo h GLN 16 Cb 0.73 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1nvo h GLN 16 CO -0.02 0.66 0.18 1.88 -0.95 0.00 0.00 178.83 180.58 1nvo h TYR 17 N 0.80 0.36 -0.18 2.96 0.05 -0.07 0.11 116.97 120.99 1nvo h TYR 17 Ca 0.19 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.79 1nvo h TYR 17 Cb 0.16 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 37.78 1nvo h TYR 17 CO 0.01 0.24 -0.60 0.00 -1.05 0.00 0.00 178.16 176.76 1nvo h ARG 18 N 0.39 0.73 0.19 4.88 3.08 -0.73 0.11 114.38 123.02 1nvo h ARG 18 Ca 0.10 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1nvo h ARG 18 Cb -0.02 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1nvo h ARG 18 CO -0.02 1.16 -0.18 1.49 -1.07 0.00 0.00 179.97 181.35 1nvo h GLU 19 N 0.44 -0.38 0.00 0.04 4.81 -1.07 -3.19 114.58 115.24 1nvo h GLU 19 Ca -0.02 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1nvo h GLU 19 Cb 1.23 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1nvo h GLU 19 CO 0.13 -0.25 -0.14 0.00 -0.73 0.00 0.00 179.01 178.01 1nvo h ALA 20 N 0.37 0.91 -0.90 2.92 0.00 -0.76 -3.14 119.26 118.66 1nvo h ALA 20 Ca -0.00 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.03 1nvo h ALA 20 Cb 0.37 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.99 1nvo h ALA 20 CO -0.04 0.18 0.23 1.25 0.00 0.00 0.00 179.25 180.87 1nvo h LEU 21 N 0.00 -0.02 -0.15 0.00 5.85 -0.75 0.74 115.31 120.97 1nvo h LEU 21 Ca -0.00 0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 1nvo h LEU 21 Cb 1.09 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1nvo h LEU 21 CO 0.02 -0.19 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.23 1nvo h GLU 22 N 0.18 0.52 -0.81 1.25 5.08 -1.66 0.21 114.58 119.35 1nvo h GLU 22 Ca 0.57 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1nvo h GLU 22 Cb 1.18 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1nvo h GLU 22 CO -0.68 0.97 0.53 1.88 -1.00 0.00 0.00 179.01 180.71 1nvo h TYR 23 N 0.15 0.99 0.00 4.33 0.05 -1.42 -3.18 116.97 117.89 1nvo h TYR 23 Ca -0.00 0.02 -0.26 0.00 0.05 0.00 0.00 58.73 58.54 1nvo h TYR 23 Cb 0.98 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 38.34 1nvo h TYR 23 CO 0.10 0.60 -1.68 0.28 -1.05 0.00 0.00 178.16 176.41 1nvo n VAL 24 N -4.43 1.46 -3.66 -2.88 0.31 0.16 -5.02 118.33 104.28 1nvo n VAL 24 Ca 0.10 -0.77 -0.29 0.00 -0.01 0.00 0.00 64.34 63.37 1nvo n VAL 24 Cb 0.07 -0.90 0.04 0.00 -0.91 0.00 0.00 33.84 32.13 1nvo n VAL 24 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nvo n LYS 25 N -2.97 -1.79 -3.91 5.55 5.02 0.72 -5.02 118.16 115.76 1nvo n LYS 25 Ca -0.16 0.51 -0.28 0.00 -2.02 0.00 0.00 58.31 56.36 1nvo n LYS 25 Cb 1.00 -4.42 -0.17 0.00 -0.02 0.00 0.00 35.03 31.42 1nvo n LYS 25 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nvo s LEU 26 N -6.41 1.40 0.28 -0.35 2.96 -1.26 -5.02 118.68 110.28 1nvo s LEU 26 Ca 0.40 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1nvo s LEU 26 Cb -0.13 -0.90 0.37 0.00 0.50 0.00 0.00 46.19 46.03 1nvo s LEU 26 CO 0.85 -0.14 1.87 1.55 -1.32 0.00 0.00 176.35 179.16 1nvo h PRO 27 N 8.14 0.98 -1.05 0.98 0.13 -1.95 -0.59 132.00 138.64 1nvo h PRO 27 Ca -0.28 -0.14 0.28 0.00 -0.87 0.00 0.00 66.00 64.99 1nvo h PRO 27 Cb 1.12 -0.18 -0.11 0.00 0.13 0.00 0.00 31.00 31.96 1nvo h PRO 27 CO 0.42 0.78 0.65 0.28 -0.23 0.00 0.00 178.00 179.90 1nvo h VAL 28 N 0.97 0.46 0.02 1.56 2.07 -1.98 0.18 116.25 119.53 1nvo h VAL 28 Ca 0.23 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1nvo h VAL 28 Cb 0.14 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1nvo h VAL 28 CO -0.03 0.07 -0.01 0.25 0.02 0.00 0.00 177.57 177.88 1nvo h LEU 29 N 0.41 -0.03 -1.92 2.57 6.46 -1.52 0.45 115.31 121.73 1nvo h LEU 29 Ca 0.65 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.29 1nvo h LEU 29 Cb 1.56 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.49 1nvo h LEU 29 CO -0.40 0.10 0.02 0.00 -0.62 0.00 0.00 178.44 177.54 1nvo h ALA 30 N 0.83 1.94 0.16 1.25 0.00 -0.97 0.69 119.26 123.15 1nvo h ALA 30 Ca -0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1nvo h ALA 30 Cb 0.14 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1nvo h ALA 30 CO 0.01 0.05 -1.25 0.87 0.00 0.00 0.00 179.25 178.93 1nvo h LYS 31 N 0.08 0.56 -0.37 0.00 6.56 -0.60 -3.18 116.57 119.62 1nvo h LYS 31 Ca 0.02 -0.82 0.05 0.00 -1.06 0.00 0.00 60.65 58.84 1nvo h LYS 31 Cb 0.02 0.28 -0.05 0.00 -0.57 0.00 0.00 32.23 31.91 1nvo h LYS 31 CO -0.00 1.38 0.10 0.82 -2.06 0.00 0.00 179.45 179.68 1nvo h ILE 32 N 0.15 0.85 0.00 1.86 2.04 0.60 -1.38 117.51 121.62 1nvo h ILE 32 Ca -0.20 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1nvo h ILE 32 Cb 1.94 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1nvo h ILE 32 CO 0.24 0.04 -0.15 0.17 0.00 0.00 0.00 178.15 178.45 1nvo h LEU 33 N 0.23 0.00 0.07 1.44 8.10 -0.97 -1.06 115.31 123.13 1nvo h LEU 33 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.16 1nvo h LEU 33 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1nvo h LEU 33 CO -0.21 0.15 -0.03 -0.08 -4.11 0.00 0.00 178.44 174.16 1nvo h GLU 34 N 0.00 -0.09 -0.52 0.17 4.81 -1.26 -2.27 114.58 115.41 1nvo h GLU 34 Ca -0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1nvo h GLU 34 Cb 0.33 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1nvo h GLU 34 CO 0.02 0.46 0.31 0.22 -0.73 0.00 0.00 179.01 179.29 1nvo h ASP 35 N -0.74 0.50 -0.49 1.04 3.58 -0.75 -0.74 116.42 118.82 1nvo h ASP 35 Ca -0.01 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.54 1nvo h ASP 35 Cb 0.59 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.46 1nvo h ASP 35 CO 0.02 0.35 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.39 1nvo h GLU 36 N 0.61 0.11 -0.52 0.28 4.39 -1.29 -1.90 114.58 116.27 1nvo h GLU 36 Ca 0.21 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.01 1nvo h GLU 36 Cb 0.03 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.55 1nvo h GLU 36 CO -0.10 0.07 -0.26 1.49 -1.16 0.00 0.00 179.01 179.05 1nvo h GLU 37 N 0.11 -0.13 -0.12 2.33 4.22 -0.52 0.15 114.58 120.62 1nvo h GLU 37 Ca 0.25 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.72 1nvo h GLU 37 Cb 0.37 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1nvo h GLU 37 CO -0.41 -0.09 -0.01 -0.22 -2.18 0.00 0.00 179.01 176.10 1nvo h LYS 38 N -0.14 0.02 -0.95 1.92 1.63 -0.84 0.86 116.57 119.07 1nvo h LYS 38 Ca 0.23 -0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.19 1nvo h LYS 38 Cb 0.51 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.05 1nvo h LYS 38 CO -0.61 0.02 0.60 0.45 -3.45 0.00 0.00 179.45 176.46 1nvo h HIS 39 N 0.02 0.92 0.00 1.91 3.86 -0.45 -1.36 115.15 120.06 1nvo h HIS 39 Ca 0.05 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1nvo h HIS 39 Cb 0.07 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1nvo h HIS 39 CO -0.15 0.30 -0.76 0.82 0.86 0.00 0.00 177.93 179.00 1nvo h ILE 40 N 0.74 0.15 -0.79 2.45 2.04 0.02 -3.28 117.51 118.84 1nvo h ILE 40 Ca 0.50 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1nvo h ILE 40 Cb 0.78 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 1nvo h ILE 40 CO -0.26 0.09 0.52 -0.08 0.00 0.00 0.00 178.15 178.41 1nvo h GLU 41 N 0.00 1.01 -1.04 2.37 4.81 0.19 0.30 114.58 122.22 1nvo h GLU 41 Ca -0.02 -0.06 0.30 0.00 -0.13 0.00 0.00 59.36 59.45 1nvo h GLU 41 Cb 1.12 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1nvo h GLU 41 CO 0.01 0.67 0.81 2.35 -0.73 0.00 0.00 179.01 182.12 1nvo h TRP 42 N 1.04 0.00 0.00 0.92 7.01 -1.57 0.31 115.95 123.66 1nvo h TRP 42 Ca 0.30 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.21 1nvo h TRP 42 Cb -0.07 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1nvo h TRP 42 CO -0.02 0.00 -1.93 1.28 -2.79 0.00 0.00 178.44 174.98 1nvo n LEU 43 N -4.02 0.00 0.02 0.65 4.77 0.77 -4.19 117.00 115.00 1nvo n LEU 43 Ca 0.22 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1nvo n LEU 43 Cb 1.16 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 42.37 1nvo n LEU 43 CO 0.37 0.12 0.10 -0.33 -1.33 0.00 0.00 177.39 176.32 1nvo h GLU 44 N 0.00 -0.09 -0.87 3.23 4.39 0.21 -3.39 114.58 118.05 1nvo h GLU 44 Ca -0.14 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.80 1nvo h GLU 44 Cb 1.19 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.71 1nvo h GLU 44 CO 0.01 -0.06 0.11 0.00 -1.16 0.00 0.00 179.01 177.91 1nvo h THR 45 N -0.40 0.24 -0.48 1.13 1.03 -1.23 -3.30 112.91 109.90 1nvo h THR 45 Ca -0.01 -0.04 0.10 0.00 -0.01 0.00 0.00 66.41 66.44 1nvo h THR 45 Cb 0.07 0.11 -0.10 0.00 -1.07 0.00 0.00 68.15 67.16 1nvo h THR 45 CO 0.02 0.02 -0.26 -0.29 -0.01 0.00 0.00 175.52 175.00 1nvo h ILE 46 N 0.12 0.30 -2.04 0.00 2.10 -1.73 -3.29 117.51 112.97 1nvo h ILE 46 Ca 0.53 0.00 -0.46 0.00 1.08 0.00 0.00 64.86 66.01 1nvo h ILE 46 Cb 1.04 0.30 -0.32 0.00 -1.09 0.00 0.00 36.82 36.74 1nvo h ILE 46 CO -0.73 0.00 -0.81 -0.22 -1.08 0.00 0.00 178.15 175.30 1nvo s LEU 47 N -10.68 0.51 0.00 2.19 0.20 -1.24 -5.13 118.68 104.53 1nvo s LEU 47 Ca -0.14 -2.43 0.00 0.00 0.69 0.00 0.00 54.13 52.24 1nvo s LEU 47 Cb 0.15 0.22 0.00 0.00 -0.43 0.00 0.00 46.19 46.14 1nvo s LEU 47 CO 0.70 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 177.19