#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 0.00 0.00 1.24 -0.00 -2.04 -0.02 116.97 116.15 1ovv h TYR 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.60 1ovv h TYR 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 1ovv h TYR 2 CO 0.00 0.67 -0.71 -0.07 -0.00 0.00 0.00 178.16 178.05 1ovv h LEU 3 N 0.00 0.00 -0.59 0.10 3.38 -2.01 -0.45 115.31 115.74 1ovv h LEU 3 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1ovv h LEU 3 Cb 1.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1ovv h LEU 3 CO 0.07 0.60 -0.70 0.03 0.09 0.00 0.00 178.44 178.53 1ovv h ARG 4 N 0.00 0.06 0.92 1.13 3.08 -1.94 3.08 114.38 120.71 1ovv h ARG 4 Ca -0.03 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1ovv h ARG 4 Cb 1.48 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.55 1ovv h ARG 4 CO 0.07 0.73 -0.44 0.93 -1.07 0.00 0.00 179.97 180.19 1ovv h GLU 5 N 0.04 -1.19 -0.95 0.04 4.39 -0.77 -0.10 114.58 116.04 1ovv h GLU 5 Ca -0.01 0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.78 1ovv h GLU 5 Cb 1.23 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 30.11 1ovv h GLU 5 CO 0.10 -0.79 0.62 -0.07 -1.16 0.00 0.00 179.01 177.70 1ovv h LEU 6 N -1.32 1.10 -0.83 1.33 3.38 -0.93 0.60 115.31 118.65 1ovv h LEU 6 Ca -0.13 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ovv h LEU 6 Cb 0.95 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 1ovv h LEU 6 CO 0.21 0.81 -0.52 0.25 0.09 0.00 0.00 178.44 179.28 1ovv h LEU 7 N 1.30 -1.90 -0.74 1.67 5.85 0.58 0.29 115.31 122.35 1ovv h LEU 7 Ca 0.35 0.28 -0.12 0.00 0.84 0.00 0.00 57.88 59.23 1ovv h LEU 7 Cb -0.13 0.84 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1ovv h LEU 7 CO -0.07 -0.23 -0.33 0.50 -0.34 0.00 0.00 178.44 177.97 1ovv h LYS 8 N -0.05 0.59 -0.49 1.25 3.64 0.20 -0.18 116.57 121.54 1ovv h LYS 8 Ca 0.13 -0.27 0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1ovv h LYS 8 Cb 0.39 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1ovv h LYS 8 CO -0.80 0.84 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.12 1ovv h LEU 9 N 0.50 -0.28 -0.47 5.20 3.38 0.23 0.25 115.31 124.12 1ovv h LEU 9 Ca 0.06 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1ovv h LEU 9 Cb 0.81 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1ovv h LEU 9 CO 0.07 -0.10 -0.09 -0.33 0.09 0.00 0.00 178.44 178.08 1ovv h GLU 10 N 0.08 0.89 -0.68 1.13 4.39 0.68 -2.64 114.58 118.43 1ovv h GLU 10 Ca 0.25 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1ovv h GLU 10 Cb 0.37 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1ovv h GLU 10 CO -0.44 0.97 0.45 -0.07 -1.16 0.00 0.00 179.01 178.77 1ovv h LEU 11 N 0.74 0.72 -0.02 1.33 3.38 0.16 -1.72 115.31 119.90 1ovv h LEU 11 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ovv h LEU 11 Cb 0.63 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ovv h LEU 11 CO 0.04 0.50 -0.04 1.56 0.09 0.00 0.00 178.44 180.59 1ovv h GLN 12 N 0.84 0.06 -0.22 1.13 4.20 -0.23 -3.18 115.11 117.71 1ovv h GLN 12 Ca 0.27 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1ovv h GLN 12 Cb 0.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1ovv h GLN 12 CO -0.07 0.62 0.14 0.00 -0.67 0.00 0.00 178.83 178.85 1ovv h ALA 13 N 0.44 1.87 0.00 3.87 0.00 -1.40 0.07 119.26 124.10 1ovv h ALA 13 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ovv h ALA 13 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ovv h ALA 13 CO 0.01 0.11 0.00 1.51 0.00 0.00 0.00 179.25 180.88 1ovv n ILE 14 N -4.51 0.86 0.96 0.00 3.06 -0.65 -1.03 119.36 118.05 1ovv n ILE 14 Ca 0.00 0.21 0.11 0.00 -2.50 0.00 0.00 62.75 60.58 1ovv n ILE 14 Cb 0.09 -1.06 0.07 0.00 0.54 0.00 0.00 39.64 39.28 1ovv n ILE 14 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1ovv n LYS 15 N -1.95 1.99 -0.13 9.51 2.85 0.00 -2.88 118.16 127.56 1ovv n LYS 15 Ca 0.03 -1.67 -0.18 0.00 -1.05 0.00 0.00 58.31 55.44 1ovv n LYS 15 Cb 0.22 -1.44 -0.12 0.00 -0.65 0.00 0.00 35.03 33.04 1ovv n LYS 15 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1ovv n GLN 16 N 0.99 0.63 -0.13 -1.58 1.13 -0.59 -3.66 117.38 114.17 1ovv n GLN 16 Ca 0.12 0.15 -0.08 0.00 -1.94 0.00 0.00 57.00 55.26 1ovv n GLN 16 Cb 0.55 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.40 1ovv n GLN 16 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1ovv h TYR 17 N -0.05 0.50 -0.77 1.08 -1.99 -1.24 0.27 116.97 114.78 1ovv h TYR 17 Ca -0.57 0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.30 1ovv h TYR 17 Cb 1.86 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 40.37 1ovv h TYR 17 CO 0.02 0.31 0.51 0.00 -0.00 0.00 0.00 178.16 179.01 1ovv h ARG 18 N 0.54 0.53 -0.18 4.88 3.08 -1.71 0.76 114.38 122.28 1ovv h ARG 18 Ca 0.15 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1ovv h ARG 18 Cb -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1ovv h ARG 18 CO -0.04 0.35 -0.10 0.93 -1.07 0.00 0.00 179.97 180.04 1ovv h GLU 19 N 0.54 0.39 -0.90 0.04 4.39 -0.84 -1.60 114.58 116.60 1ovv h GLU 19 Ca 0.37 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.93 1ovv h GLU 19 Cb 0.69 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 1ovv h GLU 19 CO -0.14 0.70 0.59 0.00 -1.16 0.00 0.00 179.01 179.00 1ovv h ALA 20 N 0.68 1.41 -0.35 3.43 0.00 0.11 -0.32 119.26 124.22 1ovv h ALA 20 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ovv h ALA 20 Cb 0.58 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ovv h ALA 20 CO 0.03 0.51 0.14 1.25 0.00 0.00 0.00 179.25 181.18 1ovv h LEU 21 N 1.15 0.44 -0.81 0.00 5.85 0.11 -1.82 115.31 120.23 1ovv h LEU 21 Ca 0.35 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 1ovv h LEU 21 Cb -0.03 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ovv h LEU 21 CO -0.10 0.40 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.59 1ovv h GLU 22 N 0.49 0.26 0.04 1.25 4.39 -0.12 -3.28 114.58 117.61 1ovv h GLU 22 Ca 0.12 -0.14 -0.27 0.00 0.34 0.00 0.00 59.36 59.41 1ovv h GLU 22 Cb 0.10 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1ovv h GLU 22 CO -0.01 0.69 -1.42 -0.92 -1.16 0.00 0.00 179.01 176.19 1ovv h TYR 23 N 0.21 0.14 -2.65 4.33 3.20 -0.95 -3.45 116.97 117.80 1ovv h TYR 23 Ca 0.01 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.66 1ovv h TYR 23 Cb 0.94 -0.01 -0.28 0.00 1.54 0.00 0.00 36.73 38.92 1ovv h TYR 23 CO 0.02 1.12 -0.36 0.54 -1.64 0.00 0.00 178.16 177.84 1ovv s VAL 24 N -2.64 -0.28 -0.99 1.81 0.11 -1.08 -5.06 120.40 112.27 1ovv s VAL 24 Ca -0.04 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 58.98 1ovv s VAL 24 Cb 0.08 -0.59 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 1ovv s VAL 24 CO 0.83 0.06 2.07 1.17 -3.33 0.00 0.00 175.10 175.90 1ovv n LYS 25 N 4.76 1.99 -2.65 1.54 4.81 -1.26 -4.58 118.16 122.78 1ovv n LYS 25 Ca -0.17 -1.97 -0.42 0.00 -0.87 0.00 0.00 58.31 54.88 1ovv n LYS 25 Cb 0.52 -2.93 -0.03 0.00 0.02 0.00 0.00 35.03 32.62 1ovv n LYS 25 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ovv s LEU 26 N 1.20 3.56 0.26 3.14 1.43 -1.26 -4.88 118.68 122.13 1ovv s LEU 26 Ca 0.53 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1ovv s LEU 26 Cb 0.14 -2.80 0.68 0.00 0.03 0.00 0.00 46.19 44.23 1ovv s LEU 26 CO 0.04 -1.56 1.28 -2.65 0.23 0.00 0.00 176.35 173.69 1ovv n PRO 27 N 8.53 -0.06 0.24 1.29 -0.02 -1.26 0.11 135.00 143.82 1ovv n PRO 27 Ca 0.04 1.21 0.10 0.00 -2.02 0.00 0.00 63.50 62.83 1ovv n PRO 27 Cb 0.48 -1.96 0.59 0.00 -0.02 0.00 0.00 33.50 32.60 1ovv n PRO 27 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1ovv h VAL 28 N 0.00 0.75 -0.03 -1.45 3.04 -1.99 0.35 116.25 116.93 1ovv h VAL 28 Ca 0.52 -0.79 -0.17 0.00 -1.01 0.00 0.00 66.70 65.25 1ovv h VAL 28 Cb 1.11 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 1ovv h VAL 28 CO -0.75 0.19 -0.73 -0.07 -1.01 0.00 0.00 177.57 175.19 1ovv h LEU 29 N 0.00 0.25 0.01 3.16 3.38 0.35 -0.51 115.31 121.95 1ovv h LEU 29 Ca -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ovv h LEU 29 Cb 0.47 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ovv h LEU 29 CO 0.03 0.90 -0.01 0.00 0.09 0.00 0.00 178.44 179.44 1ovv h ALA 30 N 1.10 -0.02 -0.86 1.53 0.00 0.15 0.44 119.26 121.61 1ovv h ALA 30 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ovv h ALA 30 Cb 1.30 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1ovv h ALA 30 CO 0.11 -0.42 0.50 0.87 0.00 0.00 0.00 179.25 180.31 1ovv h LYS 31 N -0.19 0.81 -0.34 0.00 1.57 -0.18 -0.57 116.57 117.67 1ovv h LYS 31 Ca -0.00 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1ovv h LYS 31 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ovv h LYS 31 CO 0.00 0.53 -0.42 0.82 -0.57 0.00 0.00 179.45 179.82 1ovv h ILE 32 N 0.83 1.28 -0.58 1.86 2.04 -0.53 -0.88 117.51 121.53 1ovv h ILE 32 Ca 0.42 -1.60 0.12 0.00 1.00 0.00 0.00 64.86 64.80 1ovv h ILE 32 Cb 0.38 1.46 -0.11 0.00 -0.74 0.00 0.00 36.82 37.82 1ovv h ILE 32 CO -0.25 0.53 -0.12 -0.07 0.00 0.00 0.00 178.15 178.24 1ovv h LEU 33 N 0.68 -0.49 -0.80 1.44 3.38 0.15 -1.76 115.31 117.90 1ovv h LEU 33 Ca 0.05 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1ovv h LEU 33 Cb 0.99 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 1ovv h LEU 33 CO 0.10 -0.18 0.43 -0.33 0.09 0.00 0.00 178.44 178.55 1ovv h GLU 34 N 0.02 1.12 -0.83 1.13 4.39 -0.54 0.66 114.58 120.53 1ovv h GLU 34 Ca 0.29 -0.14 0.14 0.00 0.34 0.00 0.00 59.36 59.99 1ovv h GLU 34 Cb 0.44 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 1ovv h GLU 34 CO -0.58 0.84 0.54 -0.44 -1.16 0.00 0.00 179.01 178.21 1ovv h ASP 35 N 1.11 0.56 0.05 1.42 3.32 -1.07 0.22 116.42 122.03 1ovv h ASP 35 Ca 0.28 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1ovv h ASP 35 Cb 0.05 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ovv h ASP 35 CO -0.04 0.29 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.41 1ovv h GLU 36 N 0.59 -0.06 -0.68 3.56 4.39 0.10 0.17 114.58 122.65 1ovv h GLU 36 Ca 0.41 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.33 1ovv h GLU 36 Cb 0.74 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.28 1ovv h GLU 36 CO -0.17 0.50 0.10 0.39 -1.16 0.00 0.00 179.01 178.68 1ovv n GLU 37 N -4.75 -0.05 -0.02 2.33 1.02 0.21 -1.07 120.64 118.31 1ovv n GLU 37 Ca -0.07 1.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.95 1ovv n GLU 37 Cb 0.29 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 1ovv n GLU 37 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ovv h LYS 38 N 0.00 -0.02 -0.69 3.49 3.64 -0.04 -2.50 116.57 120.45 1ovv h LYS 38 Ca 0.46 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.94 1ovv h LYS 38 Cb 1.02 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.73 1ovv h LYS 38 CO -0.62 0.54 -0.42 0.45 -2.27 0.00 0.00 179.45 177.14 1ovv h HIS 39 N -0.60 -1.23 0.54 1.91 3.86 0.79 0.22 115.15 120.63 1ovv h HIS 39 Ca -0.00 0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1ovv h HIS 39 Cb 0.58 0.63 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1ovv h HIS 39 CO 0.12 -0.41 -0.41 0.82 0.86 0.00 0.00 177.93 178.92 1ovv h ILE 40 N -0.16 0.18 -0.46 2.45 2.04 -1.00 -0.12 117.51 120.44 1ovv h ILE 40 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 1ovv h ILE 40 Cb 0.56 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1ovv h ILE 40 CO -0.76 0.00 0.32 -0.08 0.00 0.00 0.00 178.15 177.63 1ovv h GLU 41 N -0.92 0.27 0.79 2.37 4.57 -0.96 0.76 114.58 121.47 1ovv h GLU 41 Ca -0.06 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1ovv h GLU 41 Cb 0.78 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1ovv h GLU 41 CO 0.01 0.18 -0.38 -1.49 -1.18 0.00 0.00 179.01 176.15 1ovv h TRP 42 N 0.28 -0.99 -0.25 0.92 6.55 -0.06 0.95 115.95 123.35 1ovv h TRP 42 Ca 0.21 -0.02 0.06 0.00 0.95 0.00 0.00 58.89 60.09 1ovv h TRP 42 Cb 0.47 0.33 -0.07 0.00 -0.86 0.00 0.00 29.16 29.03 1ovv h TRP 42 CO -0.00 -0.61 -0.29 -0.07 -1.05 0.00 0.00 178.44 176.42 1ovv h LEU 43 N -1.20 -0.92 -1.45 -4.49 3.38 0.17 1.03 115.31 111.84 1ovv h LEU 43 Ca -0.11 0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.25 1ovv h LEU 43 Cb 0.82 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1ovv h LEU 43 CO 0.18 -0.31 0.64 -0.33 0.09 0.00 0.00 178.44 178.71 1ovv h GLU 44 N -0.29 0.39 -0.60 1.13 5.08 0.31 0.08 114.58 120.67 1ovv h GLU 44 Ca 0.13 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1ovv h GLU 44 Cb 0.51 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ovv h GLU 44 CO -0.42 0.26 0.00 1.15 -1.00 0.00 0.00 179.01 179.00 1ovv h THR 45 N 0.40 1.26 0.00 1.13 2.02 0.37 -0.68 112.91 117.41 1ovv h THR 45 Ca 0.53 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1ovv h THR 45 Cb 1.36 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1ovv h THR 45 CO -0.23 0.41 -0.49 0.16 0.37 0.00 0.00 175.52 175.75 1ovv h ILE 46 N 0.95 0.00 0.00 3.11 3.07 -0.99 -2.00 117.51 121.66 1ovv h ILE 46 Ca 0.17 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.78 1ovv h ILE 46 Cb 0.55 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1ovv h ILE 46 CO 0.03 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.31 1ovv n LEU 47 N -2.60 0.68 0.00 0.16 4.77 -0.10 -5.13 117.00 114.77 1ovv n LEU 47 Ca 0.03 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1ovv n LEU 47 Cb 0.50 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ovv n LEU 47 CO 0.36 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.56