#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvo n TYR 2 N 0.00 -0.31 -0.89 -0.67 9.36 -1.26 -0.84 117.16 122.55 1nvo n TYR 2 Ca 0.00 0.89 -0.16 0.00 3.32 0.00 0.00 57.90 61.95 1nvo n TYR 2 Cb 0.00 -0.55 0.03 0.00 -0.63 0.00 0.00 39.34 38.20 1nvo n TYR 2 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1nvo n LEU 3 N -4.66 6.40 -0.13 2.98 -0.00 -1.26 -4.52 117.00 115.82 1nvo n LEU 3 Ca 0.01 -3.28 -0.05 0.00 -0.00 0.00 0.00 56.01 52.70 1nvo n LEU 3 Cb 0.18 -1.07 0.02 0.00 -0.00 0.00 0.00 43.42 42.55 1nvo n LEU 3 CO -0.11 1.24 0.77 0.03 -0.00 0.00 0.00 177.39 179.32 1nvo h ARG 4 N 1.51 -0.02 0.00 1.47 2.47 -1.47 -3.32 114.38 115.03 1nvo h ARG 4 Ca 0.28 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1nvo h ARG 4 Cb 0.91 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 1nvo h ARG 4 CO 0.72 -0.01 -1.34 0.39 0.56 0.00 0.00 179.97 180.29 1nvo n GLU 5 N -5.33 1.64 0.00 0.04 1.02 -1.26 -4.73 120.64 112.03 1nvo n GLU 5 Ca 0.03 -0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1nvo n GLU 5 Cb 0.24 -1.15 0.32 0.00 -0.02 0.00 0.00 31.44 30.83 1nvo n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvo n LEU 6 N -1.97 0.00 -0.05 -4.62 4.32 -1.25 -2.22 117.00 111.21 1nvo n LEU 6 Ca -0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.82 1nvo n LEU 6 Cb 0.43 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.19 1nvo n LEU 6 CO 0.13 0.00 -0.84 -0.11 -1.22 0.00 0.00 177.39 175.34 1nvo n LEU 7 N -0.86 0.84 -0.07 2.23 0.00 -1.26 -4.51 117.00 113.36 1nvo n LEU 7 Ca 0.08 0.14 -0.13 0.00 0.00 0.00 0.00 56.01 56.11 1nvo n LEU 7 Cb 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 43.42 43.06 1nvo n LEU 7 CO 0.06 0.18 0.60 0.50 0.00 0.00 0.00 177.39 178.73 1nvo h LYS 8 N -0.40 0.49 -0.33 1.96 3.64 -1.74 0.62 116.57 120.81 1nvo h LYS 8 Ca -0.27 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1nvo h LYS 8 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1nvo h LYS 8 CO -0.16 0.82 0.11 -0.07 -2.27 0.00 0.00 179.45 177.88 1nvo h LEU 9 N 0.17 0.47 -0.34 5.20 3.38 -1.77 -1.60 115.31 120.83 1nvo h LEU 9 Ca 0.04 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.89 1nvo h LEU 9 Cb 0.72 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1nvo h LEU 9 CO 0.05 0.53 -0.24 -0.33 0.09 0.00 0.00 178.44 178.54 1nvo h GLU 10 N 0.38 -0.19 0.23 1.13 3.07 -1.66 -0.84 114.58 116.70 1nvo h GLU 10 Ca 0.11 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1nvo h GLU 10 Cb 0.23 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1nvo h GLU 10 CO -0.01 -0.13 -0.11 1.25 -1.40 0.00 0.00 179.01 178.62 1nvo h LEU 11 N -0.20 -0.26 -1.01 1.33 5.85 -0.77 -2.97 115.31 117.28 1nvo h LEU 11 Ca 0.17 -0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.06 1nvo h LEU 11 Cb 0.47 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 1nvo h LEU 11 CO -0.46 -0.15 0.61 -0.61 -0.34 0.00 0.00 178.44 177.49 1nvo h GLN 12 N -0.35 0.73 0.19 1.25 -0.00 -0.32 -1.43 115.11 115.19 1nvo h GLN 12 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1nvo h GLN 12 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.58 1nvo h GLN 12 CO 0.05 0.48 -0.09 -0.07 0.00 0.00 0.00 178.83 179.20 1nvo h LEU 13 N 0.75 -0.22 -0.72 -2.39 3.38 -1.03 0.32 115.31 115.40 1nvo h LEU 13 Ca 0.59 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.48 1nvo h LEU 13 Cb 0.93 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1nvo h LEU 13 CO -0.39 0.04 0.37 0.40 0.09 0.00 0.00 178.44 178.95 1nvo h ILE 14 N -0.47 0.88 -0.05 1.22 5.03 -1.33 0.53 117.51 123.32 1nvo h ILE 14 Ca -0.03 -0.22 0.04 0.00 -0.12 0.00 0.00 64.86 64.53 1nvo h ILE 14 Cb 0.36 0.18 -0.05 0.00 -3.03 0.00 0.00 36.82 34.28 1nvo h ILE 14 CO 0.04 0.12 -0.23 0.50 -0.68 0.00 0.00 178.15 177.90 1nvo h LYS 15 N 0.64 -0.32 0.00 2.37 1.63 -0.90 -2.44 116.57 117.55 1nvo h LYS 15 Ca 0.35 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.09 1nvo h LYS 15 Cb 0.33 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1nvo h LYS 15 CO -0.25 -0.21 -0.38 1.96 -3.45 0.00 0.00 179.45 177.12 1nvo h GLN 16 N -0.33 0.00 -0.63 1.90 7.50 0.17 -1.65 115.11 122.07 1nvo h GLN 16 Ca 0.08 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.16 1nvo h GLN 16 Cb 0.44 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.94 1nvo h GLN 16 CO -0.24 0.38 0.13 1.88 -1.50 0.00 0.00 178.83 179.48 1nvo h TYR 17 N 0.00 1.05 -0.19 2.96 -1.99 0.18 0.12 116.97 119.10 1nvo h TYR 17 Ca -0.00 -0.12 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 1nvo h TYR 17 Cb 0.72 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 1nvo h TYR 17 CO 0.00 0.88 -0.10 0.00 -0.00 0.00 0.00 178.16 178.94 1nvo h ARG 18 N 0.95 0.40 -0.64 4.88 3.08 -0.85 0.71 114.38 122.91 1nvo h ARG 18 Ca 0.20 -0.18 0.12 0.00 0.07 0.00 0.00 59.98 60.19 1nvo h ARG 18 Cb 0.38 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.33 1nvo h ARG 18 CO 0.01 0.71 0.16 1.49 -1.07 0.00 0.00 179.97 181.26 1nvo h GLU 19 N 0.09 0.28 0.00 0.04 4.81 -1.07 -1.90 114.58 116.83 1nvo h GLU 19 Ca 0.04 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1nvo h GLU 19 Cb 0.59 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1nvo h GLU 19 CO 0.03 0.18 -0.63 0.00 -0.73 0.00 0.00 179.01 177.87 1nvo h ALA 20 N 1.51 0.79 -0.93 2.92 0.00 -0.45 -3.34 119.26 119.77 1nvo h ALA 20 Ca 0.34 -0.57 0.21 0.00 0.00 0.00 0.00 54.91 54.89 1nvo h ALA 20 Cb 0.53 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1nvo h ALA 20 CO -0.42 0.78 0.48 1.25 0.00 0.00 0.00 179.25 181.35 1nvo h LEU 21 N 0.00 0.52 -0.68 0.00 6.46 -0.00 0.15 115.31 121.75 1nvo h LEU 21 Ca -0.01 0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.74 1nvo h LEU 21 Cb 1.24 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 1nvo h LEU 21 CO 0.08 0.11 -0.48 1.05 -0.62 0.00 0.00 178.44 178.59 1nvo h GLU 22 N 0.55 0.44 -0.31 1.25 4.11 -1.68 0.30 114.58 119.24 1nvo h GLU 22 Ca 0.56 -0.24 -0.18 0.00 0.07 0.00 0.00 59.36 59.57 1nvo h GLU 22 Cb 0.99 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1nvo h GLU 22 CO -0.46 0.82 -0.51 1.88 0.07 0.00 0.00 179.01 180.82 1nvo h TYR 23 N 0.35 1.09 0.00 2.06 0.05 -1.00 -3.31 116.97 116.21 1nvo h TYR 23 Ca 0.02 -0.37 -0.20 0.00 0.05 0.00 0.00 58.73 58.22 1nvo h TYR 23 Cb 0.97 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1nvo h TYR 23 CO 0.03 1.20 -1.27 0.28 -1.05 0.00 0.00 178.16 177.35 1nvo h VAL 24 N 0.69 0.90 -6.33 -2.88 2.07 -0.71 -3.49 116.25 106.50 1nvo h VAL 24 Ca 0.03 -2.53 -0.39 0.00 0.82 0.00 0.00 66.70 64.63 1nvo h VAL 24 Cb 1.11 2.37 0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1nvo h VAL 24 CO 0.11 0.51 -0.82 0.29 0.02 0.00 0.00 177.57 177.69 1nvo n LYS 25 N -3.08 -1.23 -3.73 1.57 5.02 0.11 -5.03 118.16 111.79 1nvo n LYS 25 Ca -0.08 0.71 -0.13 0.00 -2.02 0.00 0.00 58.31 56.79 1nvo n LYS 25 Cb 0.91 -3.62 -0.14 0.00 -0.02 0.00 0.00 35.03 32.16 1nvo n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nvo s LEU 26 N -5.60 0.44 0.63 -0.35 1.43 -1.26 -5.01 118.68 108.97 1nvo s LEU 26 Ca 0.23 0.45 0.41 0.00 -1.03 0.00 0.00 54.13 54.18 1nvo s LEU 26 Cb -0.09 0.59 2.16 0.00 0.03 0.00 0.00 46.19 48.88 1nvo s LEU 26 CO 0.87 -0.17 2.29 1.55 0.23 0.00 0.00 176.35 181.11 1nvo h PRO 27 N 7.33 0.00 -0.87 1.29 0.13 -1.95 -0.20 132.00 137.73 1nvo h PRO 27 Ca -0.39 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.95 1nvo h PRO 27 Cb 1.15 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1nvo h PRO 27 CO 0.37 0.01 0.58 0.28 -0.23 0.00 0.00 178.00 179.01 1nvo h VAL 28 N 0.00 0.67 0.38 1.56 2.07 -1.97 0.89 116.25 119.85 1nvo h VAL 28 Ca -0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1nvo h VAL 28 Cb 0.10 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1nvo h VAL 28 CO 0.00 0.06 -0.18 -0.07 0.02 0.00 0.00 177.57 177.40 1nvo h LEU 29 N 0.33 -0.43 -0.52 2.57 -0.00 -1.43 0.40 115.31 116.23 1nvo h LEU 29 Ca 0.44 -0.14 0.10 0.00 -0.00 0.00 0.00 57.88 58.29 1nvo h LEU 29 Cb 1.21 0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 41.89 1nvo h LEU 29 CO -0.14 -0.05 -0.10 0.00 -0.00 0.00 0.00 178.44 178.14 1nvo h ALA 30 N -0.46 0.37 -0.03 1.53 0.00 -1.55 0.21 119.26 119.33 1nvo h ALA 30 Ca -0.05 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1nvo h ALA 30 Cb 0.54 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nvo h ALA 30 CO 0.09 -0.43 -0.53 0.87 0.00 0.00 0.00 179.25 179.24 1nvo h LYS 31 N 0.02 0.09 -0.15 0.00 6.56 -0.69 -0.49 116.57 121.91 1nvo h LYS 31 Ca 0.25 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.75 1nvo h LYS 31 Cb 0.39 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1nvo h LYS 31 CO -0.52 0.60 -0.05 0.82 -2.06 0.00 0.00 179.45 178.25 1nvo h ILE 32 N 0.07 1.30 -0.41 1.86 1.08 0.50 -3.31 117.51 118.60 1nvo h ILE 32 Ca -0.00 -1.04 -0.12 0.00 -0.39 0.00 0.00 64.86 63.31 1nvo h ILE 32 Cb 0.97 1.68 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 1nvo h ILE 32 CO 0.07 0.30 -0.22 0.17 -0.69 0.00 0.00 178.15 177.79 1nvo h LEU 33 N -0.02 0.83 -0.39 1.44 8.10 -0.04 -2.56 115.31 122.68 1nvo h LEU 33 Ca 0.04 -0.30 0.08 0.00 0.11 0.00 0.00 57.88 57.80 1nvo h LEU 33 Cb 0.49 -0.23 -0.07 0.00 -0.44 0.00 0.00 40.66 40.41 1nvo h LEU 33 CO 0.02 1.03 -0.08 -0.08 -4.11 0.00 0.00 178.44 175.21 1nvo h GLU 34 N 0.71 0.01 -0.19 0.17 4.81 -1.22 -1.45 114.58 117.43 1nvo h GLU 34 Ca 0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1nvo h GLU 34 Cb 0.75 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1nvo h GLU 34 CO 0.06 0.01 0.12 0.22 -0.73 0.00 0.00 179.01 178.69 1nvo h ASP 35 N 0.01 0.22 -0.73 1.04 3.58 -1.55 -1.93 116.42 117.07 1nvo h ASP 35 Ca 0.19 -0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.76 1nvo h ASP 35 Cb 0.28 -0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.18 1nvo h ASP 35 CO -0.39 0.17 0.27 -0.33 -2.88 0.00 0.00 179.24 176.08 1nvo h GLU 36 N 0.25 0.40 -0.73 0.28 4.39 -1.37 -1.61 114.58 116.19 1nvo h GLU 36 Ca 0.07 -0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.90 1nvo h GLU 36 Cb -0.02 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.44 1nvo h GLU 36 CO -0.01 0.27 0.22 1.49 -1.16 0.00 0.00 179.01 179.81 1nvo h GLU 37 N 0.41 0.31 -0.23 2.33 4.22 -0.46 0.12 114.58 121.30 1nvo h GLU 37 Ca 0.40 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.72 1nvo h GLU 37 Cb 0.60 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nvo h GLU 37 CO -0.41 0.21 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.16 1nvo h LYS 38 N 0.32 0.58 -0.81 1.92 1.63 -1.16 0.27 116.57 119.32 1nvo h LYS 38 Ca 0.41 -0.31 0.13 0.00 -0.85 0.00 0.00 60.65 60.02 1nvo h LYS 38 Cb 0.67 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.23 1nvo h LYS 38 CO -0.47 0.91 0.42 0.45 -3.45 0.00 0.00 179.45 177.31 1nvo h HIS 39 N 0.27 0.74 -0.15 1.91 3.86 -0.79 -2.10 115.15 118.89 1nvo h HIS 39 Ca 0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1nvo h HIS 39 Cb 0.82 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1nvo h HIS 39 CO 0.08 0.21 -0.07 0.82 0.86 0.00 0.00 177.93 179.83 1nvo h ILE 40 N 0.64 1.31 -0.96 2.45 2.04 -0.86 -3.12 117.51 119.02 1nvo h ILE 40 Ca 0.42 -1.11 0.28 0.00 1.00 0.00 0.00 64.86 65.45 1nvo h ILE 40 Cb 0.54 1.74 -0.14 0.00 -0.74 0.00 0.00 36.82 38.22 1nvo h ILE 40 CO -0.33 0.33 0.46 -0.08 0.00 0.00 0.00 178.15 178.53 1nvo h GLU 41 N -0.02 0.32 -0.71 2.37 4.81 -0.27 0.17 114.58 121.26 1nvo h GLU 41 Ca 0.03 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 1nvo h GLU 41 Cb 0.54 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.74 1nvo h GLU 41 CO 0.02 0.21 0.14 2.35 -0.73 0.00 0.00 179.01 181.01 1nvo h TRP 42 N 0.33 0.21 -0.23 0.92 7.01 -1.39 -1.15 115.95 121.64 1nvo h TRP 42 Ca 0.66 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.63 1nvo h TRP 42 Cb 1.40 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 1nvo h TRP 42 CO -0.10 -0.09 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.28 1nvo h LEU 43 N 0.24 0.50 -1.20 0.65 4.07 -0.83 0.98 115.31 119.72 1nvo h LEU 43 Ca 0.39 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1nvo h LEU 43 Cb 0.66 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1nvo h LEU 43 CO -0.51 0.80 0.00 -0.62 -1.08 0.00 0.00 178.44 177.03 1nvo n GLU 44 N -4.51 0.79 0.08 1.13 1.02 -0.49 -3.73 120.64 114.93 1nvo n GLU 44 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1nvo n GLU 44 Cb 0.34 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1nvo n GLU 44 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nvo n THR 45 N 0.21 0.00 -1.39 2.62 5.66 -0.90 -4.99 114.28 115.48 1nvo n THR 45 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1nvo n THR 45 Cb 0.24 -0.35 -0.07 0.00 -1.55 0.00 0.00 70.33 68.61 1nvo n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nvo n ILE 46 N -2.92 -1.26 -1.95 1.09 0.13 0.33 -4.33 119.36 110.45 1nvo n ILE 46 Ca 0.00 0.96 -0.35 0.00 -1.10 0.00 0.00 62.75 62.26 1nvo n ILE 46 Cb 0.00 -1.49 -0.04 0.00 -0.84 0.00 0.00 39.64 37.26 1nvo n ILE 46 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1nvo n LEU 47 N -3.83 3.88 0.00 9.51 7.99 -1.26 -5.08 117.00 128.21 1nvo n LEU 47 Ca -0.07 -3.32 0.00 0.00 -0.01 0.00 0.00 56.01 52.61 1nvo n LEU 47 Cb 0.57 -1.61 0.00 0.00 -0.11 0.00 0.00 43.42 42.27 1nvo n LEU 47 CO 0.03 -0.96 0.00 0.61 -1.51 0.00 0.00 177.39 175.56