#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 0.05 0.00 -0.67 4.19 -1.26 -0.73 117.16 118.74 1nvo n TYR 2 Ca 0.00 0.14 0.00 0.00 3.31 0.00 0.00 57.90 61.35 1nvo n TYR 2 Cb 0.00 -0.57 0.00 0.00 0.49 0.00 0.00 39.34 39.26 1nvo n TYR 2 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1nvo n LEU 3 N -4.13 0.06 0.11 2.98 4.77 -1.26 -4.29 117.00 115.23 1nvo n LEU 3 Ca 0.02 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1nvo n LEU 3 Cb 0.06 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 41.91 1nvo n LEU 3 CO -0.01 0.01 1.17 0.03 -1.33 0.00 0.00 177.39 177.25 1nvo h ARG 4 N 0.00 0.00 0.00 3.23 3.08 -1.89 0.10 114.38 118.91 1nvo h ARG 4 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1nvo h ARG 4 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1nvo h ARG 4 CO 0.00 0.00 -1.78 0.39 -1.07 0.00 0.00 179.97 177.51 1nvo n GLU 5 N -3.98 1.90 -1.33 0.04 1.02 0.10 -4.38 120.64 114.01 1nvo n GLU 5 Ca 0.05 -0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 1nvo n GLU 5 Cb 0.48 -1.30 0.10 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.38 7.39 0.00 -4.62 4.77 -0.82 -3.99 117.00 117.36 1nvo n LEU 6 Ca -0.17 -4.17 0.00 0.00 -0.03 0.00 0.00 56.01 51.64 1nvo n LEU 6 Cb 0.82 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1nvo n LEU 6 CO 0.25 1.41 0.00 -0.11 -1.33 0.00 0.00 177.39 177.61 1nvo n LEU 7 N -0.96 0.00 -0.01 2.23 0.00 0.30 -4.71 117.00 113.85 1nvo n LEU 7 Ca 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.50 1nvo n LEU 7 Cb 0.87 0.31 -0.08 0.00 0.00 0.00 0.00 43.42 44.53 1nvo n LEU 7 CO 0.74 -0.48 0.74 0.11 0.00 0.00 0.00 177.39 178.50 1nvo h LYS 8 N 0.00 0.10 -0.29 1.96 1.57 -1.77 0.65 116.57 118.79 1nvo h LYS 8 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1nvo h LYS 8 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1nvo h LYS 8 CO 0.00 0.36 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.16 1nvo h LEU 9 N -0.17 0.41 0.51 2.94 3.38 -1.76 -2.03 115.31 118.58 1nvo h LEU 9 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1nvo h LEU 9 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nvo h LEU 9 CO 0.00 0.49 -0.24 -0.33 0.09 0.00 0.00 178.44 178.45 1nvo h GLU 10 N 0.43 -0.65 -0.44 1.13 4.39 -1.60 -3.27 114.58 114.56 1nvo h GLU 10 Ca 0.09 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1nvo h GLU 10 Cb 0.30 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1nvo h GLU 10 CO 0.01 -0.42 0.25 1.25 -1.16 0.00 0.00 179.01 178.94 1nvo h LEU 11 N -0.71 0.55 -2.57 1.33 6.46 -0.20 0.45 115.31 120.62 1nvo h LEU 11 Ca -0.07 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1nvo h LEU 11 Cb 0.54 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1nvo h LEU 11 CO 0.11 0.47 0.12 0.06 -0.62 0.00 0.00 178.44 178.58 1nvo h GLN 12 N 0.58 0.00 0.00 1.25 3.07 -1.50 0.33 115.11 118.84 1nvo h GLN 12 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.89 1nvo h GLN 12 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1nvo h GLN 12 CO -0.03 0.00 -0.03 -0.07 0.09 0.00 0.00 178.83 178.80 1nvo h LEU 13 N 0.00 0.02 0.08 0.06 3.38 -0.95 0.33 115.31 118.23 1nvo h LEU 13 Ca 0.02 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.16 1nvo h LEU 13 Cb 0.25 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1nvo h LEU 13 CO -0.00 0.87 -0.33 0.40 0.09 0.00 0.00 178.44 179.47 1nvo h ILE 14 N -0.82 0.30 -0.54 1.22 5.03 -1.35 0.57 117.51 121.92 1nvo h ILE 14 Ca -0.00 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.84 1nvo h ILE 14 Cb 0.88 0.30 -0.10 0.00 -3.03 0.00 0.00 36.82 34.87 1nvo h ILE 14 CO 0.01 0.00 -0.13 0.50 -0.68 0.00 0.00 178.15 177.85 1nvo h LYS 15 N -0.53 0.00 -0.25 2.37 1.63 -0.98 -1.02 116.57 117.78 1nvo h LYS 15 Ca 0.04 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.75 1nvo h LYS 15 Cb 0.58 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1nvo h LYS 15 CO -0.21 0.00 -0.21 1.96 -3.45 0.00 0.00 179.45 177.53 1nvo h GLN 16 N 0.00 0.47 -0.33 1.90 1.08 0.16 -2.55 115.11 115.84 1nvo h GLN 16 Ca 0.26 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1nvo h GLN 16 Cb 0.39 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1nvo h GLN 16 CO -0.55 0.66 0.15 1.88 -0.95 0.00 0.00 178.83 180.02 1nvo h TYR 17 N 0.42 0.45 -0.22 2.96 0.05 0.14 0.68 116.97 121.45 1nvo h TYR 17 Ca 0.07 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 1nvo h TYR 17 Cb 0.61 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 1nvo h TYR 17 CO 0.02 0.34 -0.35 0.00 -1.05 0.00 0.00 178.16 177.12 1nvo h ARG 18 N 0.46 0.63 -0.44 4.88 3.08 -0.98 -0.98 114.38 121.03 1nvo h ARG 18 Ca 0.12 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 59.85 1nvo h ARG 18 Cb 0.06 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1nvo h ARG 18 CO -0.02 0.99 0.11 1.49 -1.07 0.00 0.00 179.97 181.48 1nvo h GLU 19 N 0.32 0.25 0.00 0.04 4.81 -0.99 -3.02 114.58 115.99 1nvo h GLU 19 Ca 0.02 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1nvo h GLU 19 Cb 0.94 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1nvo h GLU 19 CO 0.08 0.17 -0.81 0.00 -0.73 0.00 0.00 179.01 177.72 1nvo h ALA 20 N 1.32 0.50 -0.84 2.92 0.00 -0.76 -3.38 119.26 119.00 1nvo h ALA 20 Ca 0.21 -0.74 0.11 0.00 0.00 0.00 0.00 54.91 54.49 1nvo h ALA 20 Cb 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 1nvo h ALA 20 CO -0.25 1.01 -0.39 -0.11 0.00 0.00 0.00 179.25 179.51 1nvo n LEU 21 N -3.34 -0.68 0.12 0.00 7.94 -0.38 -0.74 117.00 119.92 1nvo n LEU 21 Ca 0.01 1.48 -0.02 0.00 -1.11 0.00 0.00 56.01 56.37 1nvo n LEU 21 Cb 0.85 -0.28 0.06 0.00 0.53 0.00 0.00 43.42 44.58 1nvo n LEU 21 CO 0.44 -1.29 0.39 1.05 -1.11 0.00 0.00 177.39 176.88 1nvo h GLU 22 N 0.00 0.00 -0.53 1.96 4.11 -1.76 0.27 114.58 118.63 1nvo h GLU 22 Ca 0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.59 1nvo h GLU 22 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1nvo h GLU 22 CO -0.82 0.70 0.03 1.88 0.07 0.00 0.00 179.01 180.87 1nvo h TYR 23 N 0.00 0.93 0.00 2.06 -1.99 -1.13 -3.00 116.97 113.84 1nvo h TYR 23 Ca -0.01 -0.13 -0.12 0.00 2.00 0.00 0.00 58.73 60.47 1nvo h TYR 23 Cb 1.37 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 1nvo h TYR 23 CO 0.00 0.83 -0.61 0.28 -0.00 0.00 0.00 178.16 178.66 1nvo h VAL 24 N 0.82 0.96 -2.19 -2.88 2.07 -0.45 -3.48 116.25 111.10 1nvo h VAL 24 Ca 0.16 -2.37 -0.33 0.00 0.82 0.00 0.00 66.70 64.99 1nvo h VAL 24 Cb 0.45 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1nvo h VAL 24 CO 0.02 0.55 -0.41 0.29 0.02 0.00 0.00 177.57 178.04 1nvo n LYS 25 N -3.23 -1.29 -4.04 1.57 5.02 0.89 -4.99 118.16 112.09 1nvo n LYS 25 Ca 0.01 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.80 1nvo n LYS 25 Cb 0.77 -5.20 -0.15 0.00 -0.02 0.00 0.00 35.03 30.42 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 -4.60 3.69 0.48 -0.35 2.96 -1.22 -4.98 118.68 114.65 1nvo s LEU 26 Ca 0.00 -1.57 0.20 0.00 -0.22 0.00 0.00 54.13 52.54 1nvo s LEU 26 Cb 0.00 -1.53 1.21 0.00 0.50 0.00 0.00 46.19 46.37 1nvo s LEU 26 CO 0.00 -0.24 2.03 1.55 -1.32 0.00 0.00 176.35 178.36 1nvo h PRO 27 N 7.75 0.00 -0.79 0.98 0.13 -1.94 0.22 132.00 138.35 1nvo h PRO 27 Ca -0.15 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1nvo h PRO 27 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1nvo h PRO 27 CO 0.47 0.16 0.52 0.28 -0.23 0.00 0.00 178.00 179.20 1nvo h VAL 28 N 0.00 1.01 -0.64 1.56 2.07 -1.98 0.10 116.25 118.36 1nvo h VAL 28 Ca -0.00 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1nvo h VAL 28 Cb 0.33 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1nvo h VAL 28 CO 0.02 0.15 0.42 0.25 0.02 0.00 0.00 177.57 178.43 1nvo h LEU 29 N 0.81 0.74 -1.11 2.57 6.46 -1.35 0.29 115.31 123.72 1nvo h LEU 29 Ca 0.35 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.12 1nvo h LEU 29 Cb 0.31 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.00 1nvo h LEU 29 CO -0.13 0.54 0.60 0.00 -0.62 0.00 0.00 178.44 178.84 1nvo h ALA 30 N 1.23 1.40 -0.34 1.25 0.00 -0.74 0.13 119.26 122.20 1nvo h ALA 30 Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1nvo h ALA 30 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1nvo h ALA 30 CO -0.05 0.52 -0.09 -0.22 0.00 0.00 0.00 179.25 179.40 1nvo h LYS 31 N 1.17 0.66 -0.47 0.00 3.64 0.15 -1.83 116.57 119.90 1nvo h LYS 31 Ca 0.36 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1nvo h LYS 31 Cb -0.02 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1nvo h LYS 31 CO -0.10 0.84 0.26 0.82 -2.27 0.00 0.00 179.45 178.99 1nvo h ILE 32 N 0.45 1.00 -0.08 2.00 2.04 0.49 -2.24 117.51 121.17 1nvo h ILE 32 Ca 0.09 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1nvo h ILE 32 Cb 0.60 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1nvo h ILE 32 CO 0.04 0.09 -0.31 0.17 0.00 0.00 0.00 178.15 178.13 1nvo h LEU 33 N 0.51 0.14 0.09 1.44 8.10 -0.63 -2.74 115.31 122.22 1nvo h LEU 33 Ca 0.20 -0.05 -0.00 0.00 0.11 0.00 0.00 57.88 58.14 1nvo h LEU 33 Cb 0.06 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1nvo h LEU 33 CO -0.11 0.46 -0.04 -0.08 -4.11 0.00 0.00 178.44 174.55 1nvo h GLU 34 N 0.13 -0.12 -0.33 0.17 4.22 -0.75 -2.46 114.58 115.45 1nvo h GLU 34 Ca 0.02 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.53 1nvo h GLU 34 Cb 0.62 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1nvo h GLU 34 CO 0.05 0.07 -0.10 0.22 -2.18 0.00 0.00 179.01 177.06 1nvo h ASP 35 N -0.29 -0.37 -0.82 1.04 1.82 -1.17 -0.81 116.42 115.82 1nvo h ASP 35 Ca -0.01 0.11 0.16 0.00 -0.39 0.00 0.00 57.03 56.89 1nvo h ASP 35 Cb 0.24 0.23 -0.10 0.00 0.68 0.00 0.00 39.33 40.38 1nvo h ASP 35 CO 0.02 -0.14 0.37 -0.33 -1.61 0.00 0.00 179.24 177.55 1nvo h GLU 36 N -0.03 0.49 -0.80 0.28 4.39 -1.40 -2.16 114.58 115.35 1nvo h GLU 36 Ca 0.16 -0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.02 1nvo h GLU 36 Cb 0.28 -0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 28.70 1nvo h GLU 36 CO -0.35 0.32 0.22 1.49 -1.16 0.00 0.00 179.01 179.53 1nvo h GLU 37 N 0.50 0.27 0.15 2.33 4.22 -0.65 0.46 114.58 121.85 1nvo h GLU 37 Ca 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.88 1nvo h GLU 37 Cb 0.72 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1nvo h GLU 37 CO -0.41 0.18 -0.07 -0.22 -2.18 0.00 0.00 179.01 176.30 1nvo h LYS 38 N 0.27 -0.20 -0.78 1.92 3.64 -1.38 0.22 116.57 120.27 1nvo h LYS 38 Ca 0.47 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.94 1nvo h LYS 38 Cb 0.85 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.65 1nvo h LYS 38 CO -0.55 -0.07 0.44 0.45 -2.27 0.00 0.00 179.45 177.45 1nvo h HIS 39 N -0.29 0.80 -0.08 1.91 3.86 -0.99 -0.75 115.15 119.60 1nvo h HIS 39 Ca -0.02 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.03 1nvo h HIS 39 Cb 0.23 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1nvo h HIS 39 CO -0.04 0.35 -0.73 0.82 0.86 0.00 0.00 177.93 179.19 1nvo h ILE 40 N 0.77 1.37 -0.71 2.45 5.03 -0.93 -2.74 117.51 122.75 1nvo h ILE 40 Ca 0.36 -2.12 0.13 0.00 -0.12 0.00 0.00 64.86 63.11 1nvo h ILE 40 Cb 0.29 2.10 -0.09 0.00 -3.03 0.00 0.00 36.82 36.09 1nvo h ILE 40 CO -0.22 0.64 0.26 -0.08 -0.68 0.00 0.00 178.15 178.07 1nvo h GLU 41 N 0.30 0.40 -1.00 2.37 4.81 0.46 0.36 114.58 122.28 1nvo h GLU 41 Ca -0.03 -0.02 0.26 0.00 -0.13 0.00 0.00 59.36 59.43 1nvo h GLU 41 Cb 1.31 -0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 1nvo h GLU 41 CO 0.13 0.27 0.59 2.35 -0.73 0.00 0.00 179.01 181.62 1nvo h TRP 42 N 0.41 1.00 0.00 0.92 7.01 -0.86 0.24 115.95 124.68 1nvo h TRP 42 Ca 0.38 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1nvo h TRP 42 Cb 0.56 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 1nvo h TRP 42 CO -0.18 0.03 -0.77 1.28 -2.79 0.00 0.00 178.44 176.02 1nvo n LEU 43 N -4.91 0.63 -0.05 0.65 4.77 0.01 -3.37 117.00 114.73 1nvo n LEU 43 Ca 0.28 0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1nvo n LEU 43 Cb 0.78 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1nvo n LEU 43 CO 0.15 0.04 -0.14 -0.33 -1.33 0.00 0.00 177.39 175.78 1nvo h GLU 44 N 0.00 0.00 -0.86 3.23 5.08 -0.03 -3.41 114.58 118.59 1nvo h GLU 44 Ca 0.00 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1nvo h GLU 44 Cb 0.67 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.79 1nvo h GLU 44 CO 0.00 0.00 0.27 0.00 -1.00 0.00 0.00 179.01 178.28 1nvo h THR 45 N -0.77 0.40 -0.99 1.13 1.03 -0.76 -2.23 112.91 110.73 1nvo h THR 45 Ca 0.00 -0.10 0.30 0.00 -0.01 0.00 0.00 66.41 66.61 1nvo h THR 45 Cb 0.21 0.10 -0.18 0.00 -1.07 0.00 0.00 68.15 67.21 1nvo h THR 45 CO 0.00 0.05 0.13 0.00 -0.01 0.00 0.00 175.52 175.69 1nvo n ILE 46 N -5.15 -0.42 -2.28 0.00 3.06 -1.22 -3.77 119.36 109.57 1nvo n ILE 46 Ca 0.20 2.15 -0.39 0.00 -2.50 0.00 0.00 62.75 62.21 1nvo n ILE 46 Cb 0.63 -3.21 -0.03 0.00 0.54 0.00 0.00 39.64 37.57 1nvo n ILE 46 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1nvo s LEU 47 N -10.88 3.23 0.00 9.51 2.01 -0.84 -5.14 118.68 116.57 1nvo s LEU 47 Ca -0.12 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 53.95 1nvo s LEU 47 Cb 0.30 -2.54 0.00 0.00 0.01 0.00 0.00 46.19 43.96 1nvo s LEU 47 CO 0.78 -2.12 0.00 0.61 1.01 0.00 0.00 176.35 176.62