#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 -0.00 0.19 -0.67 4.01 -1.26 -0.43 117.16 119.00 1nvo n TYR 2 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1nvo n TYR 2 Cb 0.00 -0.50 -0.07 0.00 -0.31 0.00 0.00 39.34 38.46 1nvo n TYR 2 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1nvo h LEU 3 N 0.00 -1.00 0.00 7.72 3.38 -2.00 0.17 115.31 123.57 1nvo h LEU 3 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nvo h LEU 3 Cb 0.00 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1nvo h LEU 3 CO -0.00 -0.48 0.00 0.54 0.09 0.00 0.00 178.44 178.59 1nvo n ARG 4 N -5.46 0.74 -0.03 1.13 1.74 0.42 -2.57 116.66 112.63 1nvo n ARG 4 Ca -0.09 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.96 1nvo n ARG 4 Cb 0.36 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1nvo n ARG 4 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1nvo n GLU 5 N -0.84 0.20 -0.34 5.56 -0.58 0.00 -3.76 120.64 120.88 1nvo n GLU 5 Ca 0.12 0.13 0.18 0.00 -0.42 0.00 0.00 57.16 57.17 1nvo n GLU 5 Cb 0.06 -0.91 0.39 0.00 -0.57 0.00 0.00 31.44 30.41 1nvo n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1nvo h LEU 6 N -0.39 0.67 0.22 -4.62 4.07 -0.85 0.27 115.31 114.68 1nvo h LEU 6 Ca 0.00 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1nvo h LEU 6 Cb 0.35 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1nvo h LEU 6 CO 0.00 0.10 -0.10 0.25 -1.08 0.00 0.00 178.44 177.60 1nvo h LEU 7 N 0.57 -0.25 -0.92 1.67 5.85 -1.70 0.87 115.31 121.40 1nvo h LEU 7 Ca 0.65 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 1nvo h LEU 7 Cb 1.25 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1nvo h LEU 7 CO -0.48 0.14 0.18 0.50 -0.34 0.00 0.00 178.44 178.44 1nvo h LYS 8 N -0.68 0.97 -0.15 1.25 3.64 -1.44 1.00 116.57 121.16 1nvo h LYS 8 Ca -0.03 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1nvo h LYS 8 Cb 0.48 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1nvo h LYS 8 CO 0.05 0.85 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.96 1nvo h LEU 9 N 0.94 0.30 -0.65 5.20 3.38 -0.42 -2.72 115.31 121.34 1nvo h LEU 9 Ca 0.21 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1nvo h LEU 9 Cb 0.29 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1nvo h LEU 9 CO -0.01 0.61 0.38 -0.33 0.09 0.00 0.00 178.44 179.18 1nvo h GLU 10 N -0.00 0.69 -0.87 1.13 4.39 -0.38 -2.29 114.58 117.24 1nvo h GLU 10 Ca 0.04 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1nvo h GLU 10 Cb 0.48 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.90 1nvo h GLU 10 CO 0.02 0.46 0.51 1.25 -1.16 0.00 0.00 179.01 180.09 1nvo h LEU 11 N 0.71 0.74 -2.39 1.33 7.12 -0.67 0.12 115.31 122.27 1nvo h LEU 11 Ca 0.28 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 1nvo h LEU 11 Cb 0.12 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1nvo h LEU 11 CO -0.15 0.41 -0.03 1.56 -0.13 0.00 0.00 178.44 180.10 1nvo h GLN 12 N 0.84 0.00 0.24 1.25 4.20 -1.10 0.97 115.11 121.51 1nvo h GLN 12 Ca 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 1nvo h GLN 12 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1nvo h GLN 12 CO -0.25 0.03 -0.11 -0.07 -0.67 0.00 0.00 178.83 177.75 1nvo h LEU 13 N 0.00 -0.27 -1.29 1.46 3.38 -0.68 0.13 115.31 118.04 1nvo h LEU 13 Ca -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1nvo h LEU 13 Cb 0.09 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1nvo h LEU 13 CO 0.00 0.13 0.33 0.40 0.09 0.00 0.00 178.44 179.39 1nvo h ILE 14 N -0.71 1.18 0.13 1.22 5.03 -1.14 0.40 117.51 123.62 1nvo h ILE 14 Ca -0.03 -0.45 -0.01 0.00 -0.12 0.00 0.00 64.86 64.25 1nvo h ILE 14 Cb 0.49 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 1nvo h ILE 14 CO 0.05 0.20 -0.06 0.50 -0.68 0.00 0.00 178.15 178.16 1nvo h LYS 15 N 0.82 -0.17 -0.17 2.37 1.63 -0.80 -1.53 116.57 118.71 1nvo h LYS 15 Ca 0.21 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.92 1nvo h LYS 15 Cb 0.02 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1nvo h LYS 15 CO -0.03 0.01 -0.34 1.96 -3.45 0.00 0.00 179.45 177.60 1nvo h GLN 16 N -0.32 0.35 -0.65 1.90 7.50 0.29 0.12 115.11 124.29 1nvo h GLN 16 Ca -0.02 -0.15 -0.04 0.00 0.50 0.00 0.00 58.65 58.95 1nvo h GLN 16 Cb 0.26 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.75 1nvo h GLN 16 CO 0.03 0.65 0.27 1.88 -1.50 0.00 0.00 178.83 180.16 1nvo h TYR 17 N 0.30 0.99 -0.13 2.96 0.05 -0.21 0.16 116.97 121.09 1nvo h TYR 17 Ca 0.04 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1nvo h TYR 17 Cb 0.75 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 1nvo h TYR 17 CO 0.02 0.77 -0.07 0.00 -1.05 0.00 0.00 178.16 177.83 1nvo h ARG 18 N 0.92 0.27 -0.52 4.88 3.08 -0.54 0.22 114.38 122.70 1nvo h ARG 18 Ca 0.22 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.25 1nvo h ARG 18 Cb 0.19 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1nvo h ARG 18 CO -0.02 0.62 -0.15 1.49 -1.07 0.00 0.00 179.97 180.84 1nvo h GLU 19 N -0.08 -0.03 0.00 0.04 4.81 -0.83 -2.10 114.58 116.40 1nvo h GLU 19 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1nvo h GLU 19 Cb 0.54 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1nvo h GLU 19 CO 0.02 -0.02 -0.31 0.00 -0.73 0.00 0.00 179.01 177.97 1nvo n ALA 20 N -2.93 2.84 -0.34 2.92 0.00 0.54 -3.97 120.51 119.58 1nvo n ALA 20 Ca 0.05 -0.20 0.19 0.00 0.00 0.00 0.00 53.44 53.48 1nvo n ALA 20 Cb 0.29 -1.29 0.42 0.00 0.00 0.00 0.00 19.45 18.87 1nvo n ALA 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nvo h LEU 21 N 0.00 0.61 0.02 0.00 5.85 0.18 0.14 115.31 122.11 1nvo h LEU 21 Ca 0.00 0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.57 1nvo h LEU 21 Cb 0.61 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.66 1nvo h LEU 21 CO 0.00 0.12 -1.15 -0.33 -0.34 0.00 0.00 178.44 176.75 1nvo h GLU 22 N 0.54 0.38 -0.92 1.25 4.39 -1.71 0.28 114.58 118.78 1nvo h GLU 22 Ca 0.61 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.83 1nvo h GLU 22 Cb 1.28 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 30.05 1nvo h GLU 22 CO -0.39 1.21 0.60 1.88 -1.16 0.00 0.00 179.01 181.14 1nvo h TYR 23 N 0.16 1.12 0.03 4.33 0.05 -1.01 -3.26 116.97 118.39 1nvo h TYR 23 Ca -0.13 0.03 -0.33 0.00 0.05 0.00 0.00 58.73 58.35 1nvo h TYR 23 Cb 1.83 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 39.15 1nvo h TYR 23 CO 0.07 0.64 -1.98 0.28 -1.05 0.00 0.00 178.16 176.12 1nvo n VAL 24 N -4.51 1.60 -3.55 -2.88 0.31 -0.04 -5.02 118.33 104.23 1nvo n VAL 24 Ca 0.12 -0.76 -0.25 0.00 -0.01 0.00 0.00 64.34 63.44 1nvo n VAL 24 Cb 0.10 -1.12 0.05 0.00 -0.91 0.00 0.00 33.84 31.95 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 -3.11 -1.97 -3.87 5.55 5.02 0.99 -5.02 118.16 115.75 1nvo n LYS 25 Ca -0.26 0.60 -0.27 0.00 -2.02 0.00 0.00 58.31 56.36 1nvo n LYS 25 Cb 1.07 -4.77 -0.17 0.00 -0.02 0.00 0.00 35.03 31.14 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 -6.17 1.29 0.32 -0.35 2.96 -1.25 -5.02 118.68 110.47 1nvo s LEU 26 Ca 0.41 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.96 1nvo s LEU 26 Cb -0.12 -0.81 0.56 0.00 0.50 0.00 0.00 46.19 46.32 1nvo s LEU 26 CO 0.82 -0.17 1.75 1.55 -1.32 0.00 0.00 176.35 178.98 1nvo h PRO 27 N 8.17 0.13 -0.97 0.98 0.13 -1.95 -1.55 132.00 136.95 1nvo h PRO 27 Ca -0.25 -0.06 0.21 0.00 -0.87 0.00 0.00 66.00 65.03 1nvo h PRO 27 Cb 1.12 -0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.16 1nvo h PRO 27 CO 0.38 0.52 0.62 0.28 -0.23 0.00 0.00 178.00 179.57 1nvo h VAL 28 N 0.12 0.66 0.35 1.56 2.07 -1.99 -0.51 116.25 118.51 1nvo h VAL 28 Ca 0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1nvo h VAL 28 Cb 0.76 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1nvo h VAL 28 CO 0.06 0.10 -0.17 -0.07 0.02 0.00 0.00 177.57 177.51 1nvo h LEU 29 N 0.53 -0.39 -0.93 2.57 3.38 -1.71 0.26 115.31 119.02 1nvo h LEU 29 Ca 0.53 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.63 1nvo h LEU 29 Cb 1.14 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 1nvo h LEU 29 CO -0.27 -0.22 -0.31 0.00 0.09 0.00 0.00 178.44 177.74 1nvo n ALA 30 N -2.34 0.03 0.05 1.53 0.00 -0.64 -0.07 120.51 119.08 1nvo n ALA 30 Ca -0.10 0.97 -0.05 0.00 0.00 0.00 0.00 53.44 54.26 1nvo n ALA 30 Cb 0.22 -0.50 0.14 0.00 0.00 0.00 0.00 19.45 19.31 1nvo n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nvo h LYS 31 N 0.00 0.38 -0.30 0.00 1.57 -0.08 0.02 116.57 118.16 1nvo h LYS 31 Ca 0.38 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1nvo h LYS 31 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1nvo h LYS 31 CO -0.94 0.77 0.02 0.82 -0.57 0.00 0.00 179.45 179.55 1nvo h ILE 32 N 0.30 1.25 -0.28 1.86 2.04 0.98 -1.78 117.51 121.87 1nvo h ILE 32 Ca 0.02 -0.88 -0.19 0.00 1.00 0.00 0.00 64.86 64.81 1nvo h ILE 32 Cb 0.95 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1nvo h ILE 32 CO 0.08 0.29 -0.56 0.17 0.00 0.00 0.00 178.15 178.13 1nvo h LEU 33 N 0.33 0.98 0.22 1.44 8.10 -0.22 0.04 115.31 126.19 1nvo h LEU 33 Ca 0.09 -0.54 0.01 0.00 0.11 0.00 0.00 57.88 57.55 1nvo h LEU 33 Cb 0.39 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 40.30 1nvo h LEU 33 CO 0.01 1.33 -0.35 -0.08 -4.11 0.00 0.00 178.44 175.25 1nvo h GLU 34 N 0.66 -0.62 -0.15 0.17 4.22 -1.01 -0.21 114.58 117.65 1nvo h GLU 34 Ca 0.01 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.53 1nvo h GLU 34 Cb 1.17 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1nvo h GLU 34 CO 0.12 -0.41 -0.12 0.22 -2.18 0.00 0.00 179.01 176.64 1nvo h ASP 35 N -0.64 -0.39 -0.54 1.04 1.82 -0.88 -0.40 116.42 116.43 1nvo h ASP 35 Ca 0.01 0.08 0.11 0.00 -0.39 0.00 0.00 57.03 56.84 1nvo h ASP 35 Cb 0.63 0.20 -0.10 0.00 0.68 0.00 0.00 39.33 40.74 1nvo h ASP 35 CO -0.15 -0.16 -0.07 -0.33 -1.61 0.00 0.00 179.24 176.92 1nvo h GLU 36 N -0.14 0.05 -0.90 0.28 4.39 -0.92 -1.60 114.58 115.74 1nvo h GLU 36 Ca 0.10 -0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.98 1nvo h GLU 36 Cb 0.28 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.81 1nvo h GLU 36 CO -0.23 0.03 0.45 1.49 -1.16 0.00 0.00 179.01 179.59 1nvo h GLU 37 N 0.05 0.53 -0.13 2.33 4.22 0.69 0.49 114.58 122.76 1nvo h GLU 37 Ca 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.67 1nvo h GLU 37 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1nvo h GLU 37 CO -0.52 0.35 0.05 -0.22 -2.18 0.00 0.00 179.01 176.49 1nvo h LYS 38 N 0.55 0.20 -0.82 1.92 1.63 -0.81 0.23 116.57 119.47 1nvo h LYS 38 Ca 0.53 -0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.41 1nvo h LYS 38 Cb 0.89 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.41 1nvo h LYS 38 CO -0.44 0.31 0.44 0.45 -3.45 0.00 0.00 179.45 176.75 1nvo h HIS 39 N 0.04 0.78 -0.14 1.91 3.86 -0.67 -1.26 115.15 119.68 1nvo h HIS 39 Ca 0.04 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 1nvo h HIS 39 Cb 0.19 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1nvo h HIS 39 CO -0.01 0.26 -0.70 0.82 0.86 0.00 0.00 177.93 179.16 1nvo h ILE 40 N 0.69 1.33 -0.85 2.45 2.04 -0.74 -2.49 117.51 119.93 1nvo h ILE 40 Ca 0.42 -1.98 0.14 0.00 1.00 0.00 0.00 64.86 64.44 1nvo h ILE 40 Cb 0.49 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1nvo h ILE 40 CO -0.30 0.61 0.55 -0.08 0.00 0.00 0.00 178.15 178.94 1nvo h GLU 41 N 0.42 0.61 -0.75 2.37 4.81 0.28 -0.06 114.58 122.26 1nvo h GLU 41 Ca -0.03 -0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1nvo h GLU 41 Cb 1.28 -0.14 -0.12 0.00 0.63 0.00 0.00 28.75 30.41 1nvo h GLU 41 CO 0.13 0.40 0.16 2.35 -0.73 0.00 0.00 179.01 181.33 1nvo h TRP 42 N 0.63 0.24 -0.44 0.92 7.01 -0.78 0.22 115.95 123.75 1nvo h TRP 42 Ca 0.42 0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.39 1nvo h TRP 42 Cb 0.74 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.79 1nvo h TRP 42 CO -0.00 -0.12 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.42 1nvo h LEU 43 N 0.24 0.72 0.00 0.65 4.07 -1.10 0.24 115.31 120.13 1nvo h LEU 43 Ca 0.43 -0.18 -0.19 0.00 0.08 0.00 0.00 57.88 58.01 1nvo h LEU 43 Cb 0.75 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 1nvo h LEU 43 CO -0.54 0.82 -1.15 1.05 -1.08 0.00 0.00 178.44 177.54 1nvo h GLU 44 N 0.69 0.00 0.02 1.13 4.11 -0.90 -3.36 114.58 116.28 1nvo h GLU 44 Ca 0.13 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.33 1nvo h GLU 44 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1nvo h GLU 44 CO 0.02 0.57 -1.27 0.00 0.07 0.00 0.00 179.01 178.41 1nvo h THR 45 N 0.00 0.94 -6.01 -1.06 1.03 -0.67 -3.48 112.91 103.66 1nvo h THR 45 Ca -0.11 -2.21 -0.43 0.00 -0.01 0.00 0.00 66.41 63.65 1nvo h THR 45 Cb 1.68 2.32 -0.14 0.00 -1.07 0.00 0.00 68.15 70.94 1nvo h THR 45 CO 0.08 0.39 -0.65 0.00 -0.01 0.00 0.00 175.52 175.34 1nvo n ILE 46 N -4.34 -0.92 -3.33 0.00 0.13 0.83 -4.85 119.36 106.89 1nvo n ILE 46 Ca -0.31 0.00 -0.26 0.00 -1.10 0.00 0.00 62.75 61.09 1nvo n ILE 46 Cb 0.71 -1.62 -0.09 0.00 -0.84 0.00 0.00 39.64 37.81 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 -3.93 0.11 0.00 9.51 4.77 -1.26 -5.09 117.00 121.11 1nvo n LEU 47 Ca 0.03 -4.59 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 1nvo n LEU 47 Cb 0.51 0.49 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1nvo n LEU 47 CO 0.64 1.96 0.00 0.61 -1.33 0.00 0.00 177.39 179.27