#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 0.05 -2.08 -2.52 116.97 111.75 1nvo h TYR 2 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nvo h TYR 2 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1nvo h TYR 2 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 1nvo n LEU 3 N -4.30 0.31 0.18 3.88 4.77 -1.26 -0.56 117.00 120.02 1nvo n LEU 3 Ca 0.05 0.59 0.05 0.00 -0.03 0.00 0.00 56.01 56.67 1nvo n LEU 3 Cb 0.44 -0.56 0.30 0.00 -2.33 0.00 0.00 43.42 41.27 1nvo n LEU 3 CO 0.34 -0.45 0.65 0.03 -1.33 0.00 0.00 177.39 176.63 1nvo h ARG 4 N 0.00 0.00 0.00 3.23 3.08 -1.89 -3.45 114.38 115.35 1nvo h ARG 4 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1nvo h ARG 4 Cb 0.25 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.34 1nvo h ARG 4 CO 0.00 0.41 0.08 0.39 -1.07 0.00 0.00 179.97 179.78 1nvo n GLU 5 N -3.55 -0.06 -2.18 0.04 1.02 0.27 -4.23 120.64 111.95 1nvo n GLU 5 Ca -0.00 -0.56 -0.16 0.00 -0.02 0.00 0.00 57.16 56.42 1nvo n GLU 5 Cb 0.53 -0.28 -0.02 0.00 -0.02 0.00 0.00 31.44 31.65 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 0.00 -1.43 0.17 -4.62 4.77 -1.26 -4.58 117.00 110.05 1nvo n LEU 6 Ca 0.04 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1nvo n LEU 6 Cb 0.14 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 1nvo n LEU 6 CO 0.10 -0.34 0.00 0.00 -1.33 0.00 0.00 177.39 175.82 1nvo n LEU 7 N -2.69 -2.27 -0.22 2.23 -0.00 -1.26 -4.77 117.00 108.01 1nvo n LEU 7 Ca -0.19 0.63 -0.06 0.00 -0.00 0.00 0.00 56.01 56.39 1nvo n LEU 7 Cb 0.62 2.24 0.04 0.00 -0.00 0.00 0.00 43.42 46.31 1nvo n LEU 7 CO 0.23 -0.17 1.08 0.50 -0.00 0.00 0.00 177.39 179.03 1nvo h LYS 8 N 0.00 0.86 -0.78 1.47 3.11 -1.81 0.47 116.57 119.89 1nvo h LYS 8 Ca 0.00 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 57.70 1nvo h LYS 8 Cb 0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.02 1nvo h LYS 8 CO 0.00 0.63 0.28 -0.07 -2.81 0.00 0.00 179.45 177.48 1nvo h LEU 9 N 0.84 1.09 -1.18 5.20 3.38 -1.91 -3.02 115.31 119.71 1nvo h LEU 9 Ca 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1nvo h LEU 9 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1nvo h LEU 9 CO -0.04 0.99 0.04 -0.33 0.09 0.00 0.00 178.44 179.18 1nvo h GLU 10 N 1.14 0.61 -0.92 1.13 4.39 -1.30 -2.44 114.58 117.19 1nvo h GLU 10 Ca 0.26 -0.13 0.12 0.00 0.34 0.00 0.00 59.36 59.95 1nvo h GLU 10 Cb 0.26 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1nvo h GLU 10 CO -0.02 0.60 0.59 1.25 -1.16 0.00 0.00 179.01 180.28 1nvo h LEU 11 N 0.58 0.79 -1.81 1.33 5.85 -0.90 0.43 115.31 121.58 1nvo h LEU 11 Ca 0.13 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1nvo h LEU 11 Cb 0.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1nvo h LEU 11 CO 0.01 0.43 0.21 0.06 -0.34 0.00 0.00 178.44 178.81 1nvo h GLN 12 N 0.85 0.24 0.24 1.25 3.07 -1.54 -2.68 115.11 116.54 1nvo h GLN 12 Ca 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 59.16 1nvo h GLN 12 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1nvo h GLN 12 CO -0.21 0.16 -0.12 -0.07 0.09 0.00 0.00 178.83 178.68 1nvo h LEU 13 N 0.24 -0.27 -0.85 0.06 3.38 -1.00 0.20 115.31 117.07 1nvo h LEU 13 Ca 0.14 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 57.98 1nvo h LEU 13 Cb 0.24 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1nvo h LEU 13 CO -0.03 0.16 0.47 0.40 0.09 0.00 0.00 178.44 179.54 1nvo h ILE 14 N -0.78 0.83 0.31 1.22 5.03 -1.35 0.67 117.51 123.45 1nvo h ILE 14 Ca -0.03 -0.25 -0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1nvo h ILE 14 Cb 0.51 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.32 1nvo h ILE 14 CO 0.05 0.13 -0.25 0.50 -0.68 0.00 0.00 178.15 177.91 1nvo h LYS 15 N 0.73 -0.54 -0.27 2.37 1.63 -1.38 -1.95 116.57 117.15 1nvo h LYS 15 Ca 0.44 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.26 1nvo h LYS 15 Cb 0.51 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1nvo h LYS 15 CO -0.30 -0.36 0.13 1.96 -3.45 0.00 0.00 179.45 177.42 1nvo h GLN 16 N -0.56 0.37 -0.50 1.90 4.20 0.18 -0.14 115.11 120.56 1nvo h GLN 16 Ca -0.02 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1nvo h GLN 16 Cb 0.49 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1nvo h GLN 16 CO -0.01 0.29 -0.02 1.88 -0.67 0.00 0.00 178.83 180.30 1nvo h TYR 17 N 0.37 0.93 -0.15 2.96 0.05 0.41 0.24 116.97 121.77 1nvo h TYR 17 Ca 0.10 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 1nvo h TYR 17 Cb 0.04 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.54 1nvo h TYR 17 CO 0.00 0.86 -0.33 0.00 -1.05 0.00 0.00 178.16 177.64 1nvo h ARG 18 N 0.79 0.49 -0.67 4.88 3.08 -0.37 0.18 114.38 122.77 1nvo h ARG 18 Ca 0.15 -0.32 0.10 0.00 0.07 0.00 0.00 59.98 59.98 1nvo h ARG 18 Cb 0.51 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.52 1nvo h ARG 18 CO 0.03 0.93 0.27 1.49 -1.07 0.00 0.00 179.97 181.62 1nvo h GLU 19 N 0.11 0.45 0.05 0.04 4.81 -0.77 -2.44 114.58 116.83 1nvo h GLU 19 Ca 0.00 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1nvo h GLU 19 Cb 0.93 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1nvo h GLU 19 CO 0.07 0.30 -1.03 0.00 -0.73 0.00 0.00 179.01 177.62 1nvo h ALA 20 N 1.45 0.33 -0.93 2.92 0.00 -0.42 -3.33 119.26 119.28 1nvo h ALA 20 Ca 0.34 -0.81 0.23 0.00 0.00 0.00 0.00 54.91 54.67 1nvo h ALA 20 Cb 0.43 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.99 1nvo h ALA 20 CO -0.32 0.98 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 1nvo h LEU 21 N 0.09 -0.54 -0.38 0.00 7.12 -0.13 0.16 115.31 121.63 1nvo h LEU 21 Ca -0.07 0.26 -0.14 0.00 0.13 0.00 0.00 57.88 58.06 1nvo h LEU 21 Cb 1.72 0.48 -0.01 0.00 -0.53 0.00 0.00 40.66 42.32 1nvo h LEU 21 CO 0.16 -0.31 -0.31 1.05 -0.13 0.00 0.00 178.44 178.91 1nvo h GLU 22 N 0.03 0.88 -0.62 1.25 4.11 -1.67 0.45 114.58 119.01 1nvo h GLU 22 Ca 0.53 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1nvo h GLU 22 Cb 1.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1nvo h GLU 22 CO -0.88 1.08 0.39 1.88 0.07 0.00 0.00 179.01 181.56 1nvo h TYR 23 N 0.69 0.80 0.00 2.06 -1.99 -1.14 -2.85 116.97 114.53 1nvo h TYR 23 Ca 0.07 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1nvo h TYR 23 Cb 0.89 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 1nvo h TYR 23 CO 0.06 0.53 -0.49 0.28 -0.00 0.00 0.00 178.16 178.54 1nvo h VAL 24 N 0.84 1.04 -2.21 -2.88 2.07 -0.40 -3.47 116.25 111.25 1nvo h VAL 24 Ca 0.23 -1.92 -0.39 0.00 0.82 0.00 0.00 66.70 65.44 1nvo h VAL 24 Cb -0.06 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1nvo h VAL 24 CO -0.05 0.48 -0.45 1.17 0.02 0.00 0.00 177.57 178.75 1nvo n LYS 25 N -3.50 -1.47 -3.78 1.57 4.81 0.15 -4.96 118.16 110.99 1nvo n LYS 25 Ca 0.00 1.00 -0.24 0.00 -0.87 0.00 0.00 58.31 58.20 1nvo n LYS 25 Cb 0.61 -5.49 -0.17 0.00 0.02 0.00 0.00 35.03 29.99 1nvo n LYS 25 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1nvo s LEU 26 N -5.18 0.75 0.00 3.14 2.96 -1.25 -5.03 118.68 114.07 1nvo s LEU 26 Ca 0.00 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1nvo s LEU 26 Cb 0.00 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.18 1nvo s LEU 26 CO 0.00 -0.21 0.36 -0.81 -1.32 0.00 0.00 176.35 174.37 1nvo n PRO 27 N 5.11 0.59 0.10 0.98 -0.04 -1.26 -2.58 135.00 137.90 1nvo n PRO 27 Ca -0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 1nvo n PRO 27 Cb 0.49 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.57 1nvo n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nvo h VAL 28 N 0.00 1.27 -0.80 0.52 2.07 -1.98 -3.27 116.25 114.06 1nvo h VAL 28 Ca 0.00 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 64.91 1nvo h VAL 28 Cb 0.24 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 1nvo h VAL 28 CO 0.00 0.78 0.47 -0.07 0.02 0.00 0.00 177.57 178.77 1nvo h LEU 29 N -0.04 0.97 -1.54 2.57 3.38 -1.90 0.16 115.31 118.91 1nvo h LEU 29 Ca -0.24 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1nvo h LEU 29 Cb 1.98 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1nvo h LEU 29 CO 0.21 0.75 -0.21 0.00 0.09 0.00 0.00 178.44 179.29 1nvo h ALA 30 N 1.41 1.22 0.01 1.53 0.00 -1.76 0.20 119.26 121.86 1nvo h ALA 30 Ca 0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1nvo h ALA 30 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nvo h ALA 30 CO -0.05 0.26 -0.27 -0.22 0.00 0.00 0.00 179.25 178.97 1nvo h LYS 31 N 0.00 0.16 -0.19 0.00 3.64 -0.86 -2.78 116.57 116.54 1nvo h LYS 31 Ca -0.00 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1nvo h LYS 31 Cb 0.53 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1nvo h LYS 31 CO 0.03 0.96 -0.14 0.82 -2.27 0.00 0.00 179.45 178.85 1nvo h ILE 32 N -0.57 0.60 -0.02 2.00 2.04 -0.64 -2.04 117.51 118.88 1nvo h ILE 32 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1nvo h ILE 32 Cb 1.06 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1nvo h ILE 32 CO 0.05 0.00 -0.18 0.17 0.00 0.00 0.00 178.15 178.20 1nvo h LEU 33 N -0.14 0.02 0.01 1.44 8.10 -0.70 0.01 115.31 124.05 1nvo h LEU 33 Ca 0.11 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.10 1nvo h LEU 33 Cb 0.31 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1nvo h LEU 33 CO -0.28 0.20 -0.00 -0.08 -4.11 0.00 0.00 178.44 174.17 1nvo h GLU 34 N 0.02 -0.01 -0.31 0.17 4.22 -1.09 0.14 114.58 117.72 1nvo h GLU 34 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.50 1nvo h GLU 34 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1nvo h GLU 34 CO 0.02 0.06 0.01 0.22 -2.18 0.00 0.00 179.01 177.14 1nvo h ASP 35 N -0.07 -0.10 -0.32 1.04 1.82 -0.54 -1.89 116.42 116.36 1nvo h ASP 35 Ca -0.00 0.07 0.06 0.00 -0.39 0.00 0.00 57.03 56.77 1nvo h ASP 35 Cb 0.07 0.11 -0.06 0.00 0.68 0.00 0.00 39.33 40.14 1nvo h ASP 35 CO 0.00 -0.02 -0.05 -0.33 -1.61 0.00 0.00 179.24 177.23 1nvo h GLU 36 N 0.10 0.03 -0.85 0.28 4.39 -0.83 -1.56 114.58 116.14 1nvo h GLU 36 Ca 0.15 -0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.06 1nvo h GLU 36 Cb 0.19 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.69 1nvo h GLU 36 CO -0.24 0.02 0.16 1.49 -1.16 0.00 0.00 179.01 179.28 1nvo h GLU 37 N 0.03 0.16 -0.01 2.33 4.22 0.05 0.13 114.58 121.50 1nvo h GLU 37 Ca 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 1nvo h GLU 37 Cb 0.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nvo h GLU 37 CO -0.30 0.11 0.00 -0.22 -2.18 0.00 0.00 179.01 176.42 1nvo h LYS 38 N 0.17 0.02 -0.90 1.92 1.63 -0.77 0.35 116.57 118.98 1nvo h LYS 38 Ca 0.51 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.38 1nvo h LYS 38 Cb 1.00 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.56 1nvo h LYS 38 CO -0.67 0.25 0.57 0.45 -3.45 0.00 0.00 179.45 176.59 1nvo h HIS 39 N -0.21 1.04 -0.30 1.91 3.86 -0.29 -1.29 115.15 119.88 1nvo h HIS 39 Ca 0.00 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 1nvo h HIS 39 Cb 0.24 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1nvo h HIS 39 CO 0.00 0.52 -0.44 0.82 0.86 0.00 0.00 177.93 179.69 1nvo h ILE 40 N 1.01 1.29 -0.87 2.45 2.04 -0.70 -2.97 117.51 119.76 1nvo h ILE 40 Ca 0.40 -1.63 0.15 0.00 1.00 0.00 0.00 64.86 64.79 1nvo h ILE 40 Cb 0.21 1.52 -0.10 0.00 -0.74 0.00 0.00 36.82 37.71 1nvo h ILE 40 CO -0.19 0.53 0.45 -0.08 0.00 0.00 0.00 178.15 178.86 1nvo h GLU 41 N 0.62 0.61 -0.80 2.37 4.81 0.83 0.31 114.58 123.33 1nvo h GLU 41 Ca 0.04 -0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1nvo h GLU 41 Cb 1.00 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.11 1nvo h GLU 41 CO 0.10 0.40 0.10 2.35 -0.73 0.00 0.00 179.01 181.23 1nvo h TRP 42 N 0.63 0.13 -0.58 0.92 7.01 -1.21 0.11 115.95 122.95 1nvo h TRP 42 Ca 0.48 0.05 -0.09 0.00 2.11 0.00 0.00 58.89 61.44 1nvo h TRP 42 Cb 0.70 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1nvo h TRP 42 CO -0.09 -0.21 0.01 -0.07 -2.79 0.00 0.00 178.44 175.30 1nvo h LEU 43 N 0.16 0.98 0.00 0.65 3.38 -1.07 -1.37 115.31 118.04 1nvo h LEU 43 Ca 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1nvo h LEU 43 Cb 0.85 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1nvo h LEU 43 CO -0.64 1.03 0.00 -1.84 0.09 0.00 0.00 178.44 177.07 1nvo n GLU 44 N -4.19 0.85 0.00 1.13 0.28 0.32 -3.82 120.64 115.22 1nvo n GLU 44 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1nvo n GLU 44 Cb 0.33 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1nvo n GLU 44 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1nvo n THR 45 N -0.94 0.00 -0.14 3.84 5.66 -0.88 -4.71 114.28 117.10 1nvo n THR 45 Ca 0.18 0.00 0.27 0.00 -3.05 0.00 0.00 64.05 61.45 1nvo n THR 45 Cb 0.08 -0.51 0.72 0.00 -1.55 0.00 0.00 70.33 69.07 1nvo n THR 45 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1nvo h ILE 46 N 0.00 0.51 0.00 1.09 2.10 -1.36 -3.45 117.51 116.40 1nvo h ILE 46 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1nvo h ILE 46 Cb 0.57 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1nvo h ILE 46 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1nvo n LEU 47 N -4.15 0.00 0.00 2.19 4.32 -1.26 -5.14 117.00 112.96 1nvo n LEU 47 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1nvo n LEU 47 Cb 0.93 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.73 1nvo n LEU 47 CO 0.37 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.15