#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovv h TYR 2 N 0.00 0.51 -0.09 1.24 -0.00 -2.05 0.22 116.97 116.80 1ovv h TYR 2 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 58.73 58.75 1ovv h TYR 2 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 36.60 1ovv h TYR 2 CO 0.00 -0.21 0.06 -0.07 -0.00 0.00 0.00 178.16 177.94 1ovv h LEU 3 N 0.08 0.11 -0.78 0.10 3.38 -2.01 0.32 115.31 116.51 1ovv h LEU 3 Ca 0.83 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.79 1ovv h LEU 3 Cb 2.61 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 43.28 1ovv h LEU 3 CO -0.42 0.11 0.50 0.03 0.09 0.00 0.00 178.44 178.76 1ovv h ARG 4 N 0.10 0.96 -0.69 1.13 3.08 -1.12 0.11 114.38 117.95 1ovv h ARG 4 Ca 0.03 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1ovv h ARG 4 Cb 0.02 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 1ovv h ARG 4 CO -0.01 0.63 0.36 0.93 -1.07 0.00 0.00 179.97 180.81 1ovv h GLU 5 N 0.99 0.61 -0.18 0.04 4.39 -0.09 0.39 114.58 120.73 1ovv h GLU 5 Ca 0.31 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 1ovv h GLU 5 Cb -0.01 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1ovv h GLU 5 CO -0.10 0.40 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.00 1ovv h LEU 6 N 0.63 0.38 -0.98 1.33 3.38 0.16 0.12 115.31 120.33 1ovv h LEU 6 Ca 0.33 -0.41 0.18 0.00 0.09 0.00 0.00 57.88 58.07 1ovv h LEU 6 Cb 0.30 -0.10 -0.17 0.00 0.09 0.00 0.00 40.66 40.77 1ovv h LEU 6 CO -0.24 0.70 -0.30 0.25 0.09 0.00 0.00 178.44 178.94 1ovv h LEU 7 N 0.05 -1.12 -0.19 1.67 7.12 -0.44 -0.14 115.31 122.26 1ovv h LEU 7 Ca 0.04 0.30 -0.02 0.00 0.13 0.00 0.00 57.88 58.33 1ovv h LEU 7 Cb 0.55 0.67 -0.01 0.00 -0.53 0.00 0.00 40.66 41.34 1ovv h LEU 7 CO 0.02 -0.31 0.04 0.11 -0.13 0.00 0.00 178.44 178.18 1ovv h LYS 8 N -0.00 0.31 -0.70 1.25 6.56 0.11 -1.86 116.57 122.24 1ovv h LYS 8 Ca 0.42 -0.08 0.14 0.00 -1.06 0.00 0.00 60.65 60.07 1ovv h LYS 8 Cb 0.66 -0.04 -0.13 0.00 -0.57 0.00 0.00 32.23 32.15 1ovv h LYS 8 CO -0.99 0.45 -0.15 -0.07 -2.06 0.00 0.00 179.45 176.63 1ovv h LEU 9 N 0.12 -0.61 -0.22 2.94 3.38 0.70 0.39 115.31 122.02 1ovv h LEU 9 Ca 0.06 0.21 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 1ovv h LEU 9 Cb 0.28 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1ovv h LEU 9 CO 0.00 -0.22 -0.92 -0.33 0.09 0.00 0.00 178.44 177.06 1ovv h GLU 10 N 0.01 0.13 -0.57 1.13 4.39 -0.87 0.63 114.58 119.43 1ovv h GLU 10 Ca 0.34 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1ovv h GLU 10 Cb 0.53 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1ovv h GLU 10 CO -0.71 0.96 0.28 -0.07 -1.16 0.00 0.00 179.01 178.31 1ovv h LEU 11 N 0.06 0.75 -0.17 1.33 3.38 -0.73 2.67 115.31 122.61 1ovv h LEU 11 Ca -0.04 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1ovv h LEU 11 Cb 1.58 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 1ovv h LEU 11 CO 0.13 0.67 -0.18 1.56 0.09 0.00 0.00 178.44 180.72 1ovv h GLN 12 N 0.78 -0.20 0.58 1.13 4.20 0.84 -1.52 115.11 120.92 1ovv h GLN 12 Ca 0.20 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1ovv h GLN 12 Cb 0.12 0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1ovv h GLN 12 CO -0.02 -0.13 -0.28 0.00 -0.67 0.00 0.00 178.83 177.73 1ovv h ALA 13 N 0.86 -0.78 -1.01 3.87 0.00 0.19 -1.53 119.26 120.87 1ovv h ALA 13 Ca 0.11 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.05 1ovv h ALA 13 Cb 0.37 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1ovv h ALA 13 CO -0.29 -0.80 0.63 0.82 0.00 0.00 0.00 179.25 179.61 1ovv h ILE 14 N -1.05 0.59 0.41 0.00 1.08 0.48 -1.24 117.51 117.78 1ovv h ILE 14 Ca -0.08 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1ovv h ILE 14 Cb 0.66 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1ovv h ILE 14 CO 0.13 0.10 -0.23 0.50 -0.69 0.00 0.00 178.15 177.95 1ovv h LYS 15 N 0.53 -0.59 -0.54 2.37 3.64 -0.27 -2.61 116.57 119.11 1ovv h LYS 15 Ca 0.59 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.95 1ovv h LYS 15 Cb 1.25 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1ovv h LYS 15 CO -0.34 -0.39 0.11 1.96 -2.27 0.00 0.00 179.45 178.52 1ovv h GLN 16 N -0.61 0.84 -0.55 1.90 1.08 -0.77 -2.79 115.11 114.22 1ovv h GLN 16 Ca -0.05 -0.18 0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1ovv h GLN 16 Cb 0.49 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1ovv h GLN 16 CO 0.06 0.77 0.36 1.88 -0.95 0.00 0.00 178.83 180.96 1ovv h TYR 17 N 0.80 0.64 -0.09 2.96 -1.99 -1.23 0.21 116.97 118.28 1ovv h TYR 17 Ca 0.17 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 1ovv h TYR 17 Cb 0.33 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 1ovv h TYR 17 CO 0.02 0.39 0.01 0.00 -0.00 0.00 0.00 178.16 178.57 1ovv h ARG 18 N 0.68 0.15 -0.68 4.88 3.08 -1.26 0.37 114.38 121.58 1ovv h ARG 18 Ca 0.21 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1ovv h ARG 18 Cb 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ovv h ARG 18 CO -0.05 0.39 0.30 0.93 -1.07 0.00 0.00 179.97 180.46 1ovv h GLU 19 N -0.11 1.00 -0.75 0.04 5.08 -1.07 0.37 114.58 119.14 1ovv h GLU 19 Ca 0.02 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1ovv h GLU 19 Cb 0.32 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ovv h GLU 19 CO 0.00 0.82 0.29 0.00 -1.00 0.00 0.00 179.01 179.12 1ovv h ALA 20 N 1.14 1.10 0.00 3.43 0.00 -0.54 0.31 119.26 124.70 1ovv h ALA 20 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ovv h ALA 20 Cb 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ovv h ALA 20 CO -0.02 0.64 -0.08 1.25 0.00 0.00 0.00 179.25 181.03 1ovv h LEU 21 N 1.09 0.00 -0.03 0.00 5.85 0.17 -2.05 115.31 120.33 1ovv h LEU 21 Ca 0.25 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1ovv h LEU 21 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ovv h LEU 21 CO -0.02 0.08 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.88 1ovv h GLU 22 N 0.00 0.19 0.00 1.25 4.81 0.21 -3.32 114.58 117.71 1ovv h GLU 22 Ca -0.00 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1ovv h GLU 22 Cb 0.61 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1ovv h GLU 22 CO 0.01 0.84 -0.55 -0.92 -0.73 0.00 0.00 179.01 177.66 1ovv h TYR 23 N -0.41 0.00 -2.64 0.92 3.20 0.21 -3.42 116.97 114.83 1ovv h TYR 23 Ca -0.02 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 1ovv h TYR 23 Cb 0.89 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 38.88 1ovv h TYR 23 CO 0.15 0.55 -0.39 0.54 -1.64 0.00 0.00 178.16 177.38 1ovv s VAL 24 N -3.61 -0.42 -1.04 1.81 0.11 -1.05 -5.09 120.40 111.10 1ovv s VAL 24 Ca -0.01 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1ovv s VAL 24 Cb 0.12 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1ovv s VAL 24 CO 0.74 0.07 2.73 0.29 -3.33 0.00 0.00 175.10 175.60 1ovv n LYS 25 N 5.04 3.64 -2.96 1.54 4.76 -1.25 -4.41 118.16 124.53 1ovv n LYS 25 Ca -0.13 -2.69 -0.42 0.00 -2.87 0.00 0.00 58.31 52.21 1ovv n LYS 25 Cb 0.51 -2.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.16 1ovv n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ovv s LEU 26 N -1.44 4.12 0.58 -0.35 1.43 -1.26 -4.89 118.68 116.85 1ovv s LEU 26 Ca 0.60 0.44 0.29 0.00 -1.03 0.00 0.00 54.13 54.43 1ovv s LEU 26 Cb 0.24 -3.04 1.47 0.00 0.03 0.00 0.00 46.19 44.89 1ovv s LEU 26 CO -0.11 -0.69 1.90 -0.65 0.23 0.00 0.00 176.35 177.03 1ovv h PRO 27 N 8.37 0.00 -0.41 1.29 0.11 -1.98 0.69 132.00 140.08 1ovv h PRO 27 Ca -0.25 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.93 1ovv h PRO 27 Cb 1.09 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1ovv h PRO 27 CO 0.90 0.00 0.07 -0.24 -0.21 0.00 0.00 178.00 178.52 1ovv h VAL 28 N 0.00 0.77 -0.47 3.15 3.04 -1.99 0.57 116.25 121.32 1ovv h VAL 28 Ca 0.26 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.88 1ovv h VAL 28 Cb 1.28 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 31.10 1ovv h VAL 28 CO -0.00 0.04 0.29 -0.07 -1.01 0.00 0.00 177.57 176.82 1ovv h LEU 29 N 0.19 0.55 -0.24 3.16 3.38 0.01 0.41 115.31 122.77 1ovv h LEU 29 Ca 0.20 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1ovv h LEU 29 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ovv h LEU 29 CO -0.27 0.42 -0.91 0.00 0.09 0.00 0.00 178.44 177.77 1ovv h ALA 30 N 1.68 0.48 -0.74 1.53 0.00 -1.41 0.21 119.26 121.00 1ovv h ALA 30 Ca 0.17 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.42 1ovv h ALA 30 Cb -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1ovv h ALA 30 CO -0.03 0.92 0.49 -0.22 0.00 0.00 0.00 179.25 180.40 1ovv h LYS 31 N 0.12 0.72 -0.02 0.00 3.11 0.91 0.21 116.57 121.62 1ovv h LYS 31 Ca -0.05 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.58 1ovv h LYS 31 Cb 1.54 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 32.60 1ovv h LYS 31 CO 0.14 0.48 -0.74 0.82 -2.81 0.00 0.00 179.45 177.34 1ovv h ILE 32 N 0.74 1.47 -0.57 2.00 2.04 -0.15 -3.15 117.51 119.89 1ovv h ILE 32 Ca 0.33 -2.37 0.05 0.00 1.00 0.00 0.00 64.86 63.87 1ovv h ILE 32 Cb 0.32 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 1ovv h ILE 32 CO -0.11 0.69 0.30 -0.07 0.00 0.00 0.00 178.15 178.96 1ovv h LEU 33 N 0.09 0.45 -1.34 1.44 3.38 0.26 -1.70 115.31 117.88 1ovv h LEU 33 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ovv h LEU 33 Cb 1.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1ovv h LEU 33 CO 0.11 0.30 0.25 -0.33 0.09 0.00 0.00 178.44 178.86 1ovv h GLU 34 N 0.58 0.70 0.83 1.13 5.08 -1.33 0.84 114.58 122.41 1ovv h GLU 34 Ca 0.25 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1ovv h GLU 34 Cb 0.14 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ovv h GLU 34 CO -0.16 0.54 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.54 1ovv h ASP 35 N 0.70 -0.97 -0.40 1.42 3.32 -1.45 -0.75 116.42 118.29 1ovv h ASP 35 Ca 0.18 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1ovv h ASP 35 Cb 0.06 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1ovv h ASP 35 CO -0.03 -0.68 0.26 -0.33 -1.72 0.00 0.00 179.24 176.75 1ovv h GLU 36 N -1.12 0.45 -0.68 3.56 4.39 -0.30 0.42 114.58 121.30 1ovv h GLU 36 Ca -0.11 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.65 1ovv h GLU 36 Cb 0.87 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 1ovv h GLU 36 CO 0.18 0.30 0.45 1.49 -1.16 0.00 0.00 179.01 180.26 1ovv h GLU 37 N 0.46 0.56 -0.27 2.33 4.57 0.11 -0.78 114.58 121.56 1ovv h GLU 37 Ca 0.16 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 1ovv h GLU 37 Cb 0.06 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1ovv h GLU 37 CO -0.04 0.37 -0.55 0.87 -1.18 0.00 0.00 179.01 178.48 1ovv h LYS 38 N 0.58 0.86 -0.44 1.92 1.79 0.13 -2.84 116.57 118.56 1ovv h LYS 38 Ca 0.31 -0.55 -0.06 0.00 -2.18 0.00 0.00 60.65 58.16 1ovv h LYS 38 Cb 0.44 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1ovv h LYS 38 CO -0.10 1.19 0.05 0.45 -1.08 0.00 0.00 179.45 179.96 1ovv h HIS 39 N 0.63 0.80 -0.77 -1.35 3.86 -0.68 0.63 115.15 118.26 1ovv h HIS 39 Ca 0.01 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1ovv h HIS 39 Cb 1.16 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.38 1ovv h HIS 39 CO 0.08 0.77 0.47 0.82 0.86 0.00 0.00 177.93 180.92 1ovv h ILE 40 N 0.60 1.21 -0.44 2.45 2.04 -1.19 0.82 117.51 122.99 1ovv h ILE 40 Ca 0.13 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.60 1ovv h ILE 40 Cb 0.42 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1ovv h ILE 40 CO 0.01 0.22 0.06 -0.08 0.00 0.00 0.00 178.15 178.37 1ovv h GLU 41 N 1.07 0.18 -0.14 2.37 4.81 -1.02 0.25 114.58 122.10 1ovv h GLU 41 Ca 0.28 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.33 1ovv h GLU 41 Cb -0.05 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.30 1ovv h GLU 41 CO -0.05 0.12 -0.56 -1.49 -0.73 0.00 0.00 179.01 176.29 1ovv h TRP 42 N 0.18 0.83 -0.37 0.92 6.55 0.14 -2.39 115.95 121.81 1ovv h TRP 42 Ca 0.22 -0.35 0.07 0.00 0.95 0.00 0.00 58.89 59.78 1ovv h TRP 42 Cb 0.30 -0.13 -0.07 0.00 -0.86 0.00 0.00 29.16 28.39 1ovv h TRP 42 CO -0.24 1.15 -0.10 -0.07 -1.05 0.00 0.00 178.44 178.13 1ovv h LEU 43 N 0.27 -0.36 -0.99 -4.49 3.38 0.12 -0.95 115.31 112.29 1ovv h LEU 43 Ca -0.03 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.20 1ovv h LEU 43 Cb 1.20 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 42.09 1ovv h LEU 43 CO 0.12 -0.13 0.61 -0.33 0.09 0.00 0.00 178.44 178.80 1ovv h GLU 44 N -0.01 0.85 -0.18 1.13 5.08 -0.16 0.25 114.58 121.54 1ovv h GLU 44 Ca 0.18 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1ovv h GLU 44 Cb 0.28 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ovv h GLU 44 CO -0.39 0.56 0.05 1.15 -1.00 0.00 0.00 179.01 179.39 1ovv h THR 45 N 0.88 1.19 -0.34 1.13 2.02 -0.72 0.69 112.91 117.76 1ovv h THR 45 Ca 0.53 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 67.14 1ovv h THR 45 Cb 0.67 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1ovv h THR 45 CO -0.32 0.19 0.23 0.40 0.37 0.00 0.00 175.52 176.39 1ovv h ILE 46 N 0.11 0.99 -0.00 3.11 2.04 -0.37 1.97 117.51 125.36 1ovv h ILE 46 Ca 0.06 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ovv h ILE 46 Cb 0.24 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1ovv h ILE 46 CO -0.00 0.05 -0.04 0.18 0.00 0.00 0.00 178.15 178.34 1ovv n LEU 47 N -4.49 0.31 0.00 1.44 4.77 0.79 -5.10 117.00 114.72 1ovv n LEU 47 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1ovv n LEU 47 Cb 0.19 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ovv n LEU 47 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.07