#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovr h TYR 2 N 0.00 0.79 -0.06 1.24 -0.00 -2.06 0.36 116.97 117.23 1ovr h TYR 2 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 58.73 58.59 1ovr h TYR 2 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 36.73 36.46 1ovr h TYR 2 CO 0.00 0.46 -0.67 -0.07 -0.00 0.00 0.00 178.16 177.87 1ovr h LEU 3 N 0.81 0.31 -0.29 0.10 3.38 -2.01 -2.44 115.31 115.18 1ovr h LEU 3 Ca 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ovr h LEU 3 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ovr h LEU 3 CO -0.08 0.89 0.03 0.03 0.09 0.00 0.00 178.44 179.40 1ovr h ARG 4 N 0.19 0.50 -0.84 1.13 3.08 -1.29 -2.18 114.38 114.96 1ovr h ARG 4 Ca -0.02 -0.14 0.14 0.00 0.07 0.00 0.00 59.98 60.03 1ovr h ARG 4 Cb 1.21 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 1ovr h ARG 4 CO 0.11 0.62 0.55 1.49 -1.07 0.00 0.00 179.97 181.67 1ovr h GLU 5 N 0.31 0.61 -0.00 0.04 4.57 0.04 0.19 114.58 120.34 1ovr h GLU 5 Ca 0.09 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1ovr h GLU 5 Cb 0.38 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1ovr h GLU 5 CO 0.01 0.40 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.91 1ovr h LEU 6 N 0.63 0.23 -1.81 1.64 3.38 -1.35 -1.02 115.31 117.01 1ovr h LEU 6 Ca 0.42 -0.77 0.22 0.00 0.09 0.00 0.00 57.88 57.84 1ovr h LEU 6 Cb 0.71 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1ovr h LEU 6 CO -0.17 0.97 0.71 0.25 0.09 0.00 0.00 178.44 180.29 1ovr h LEU 7 N -0.48 0.00 0.12 1.67 5.85 -0.89 0.14 115.31 121.71 1ovr h LEU 7 Ca -0.03 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.48 1ovr h LEU 7 Cb 1.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.05 1ovr h LEU 7 CO 0.05 0.00 -0.99 0.50 -0.34 0.00 0.00 178.44 177.66 1ovr h LYS 8 N 0.00 0.26 -0.61 1.25 3.64 0.03 -2.76 116.57 118.37 1ovr h LYS 8 Ca 0.36 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1ovr h LYS 8 Cb 1.78 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.74 1ovr h LYS 8 CO -0.00 1.21 0.25 -0.07 -2.27 0.00 0.00 179.45 178.57 1ovr h LEU 9 N -0.40 0.83 -0.41 5.20 3.38 -0.44 -1.27 115.31 122.20 1ovr h LEU 9 Ca -0.20 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1ovr h LEU 9 Cb 1.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1ovr h LEU 9 CO 0.10 0.77 0.26 -0.33 0.09 0.00 0.00 178.44 179.33 1ovr h GLU 10 N 0.85 0.52 -0.34 1.13 4.39 -0.84 0.41 114.58 120.70 1ovr h GLU 10 Ca 0.20 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1ovr h GLU 10 Cb 0.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1ovr h GLU 10 CO -0.02 0.35 0.09 -0.07 -1.16 0.00 0.00 179.01 178.19 1ovr h LEU 11 N 0.54 0.44 -0.54 1.33 3.38 -1.30 0.10 115.31 119.26 1ovr h LEU 11 Ca 0.16 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1ovr h LEU 11 Cb -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ovr h LEU 11 CO -0.05 0.45 -0.49 1.56 0.09 0.00 0.00 178.44 180.00 1ovr h GLN 12 N 0.48 0.61 0.86 1.13 4.20 0.02 -3.30 115.11 119.11 1ovr h GLN 12 Ca 0.11 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1ovr h GLN 12 Cb 0.18 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1ovr h GLN 12 CO -0.00 0.96 -0.41 1.25 -0.67 0.00 0.00 178.83 179.95 1ovr h LEU 13 N 0.48 -0.98 -1.41 1.46 5.85 0.21 -3.06 115.31 117.86 1ovr h LEU 13 Ca 0.02 0.03 0.33 0.00 0.84 0.00 0.00 57.88 59.11 1ovr h LEU 13 Cb 1.03 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.21 1ovr h LEU 13 CO 0.10 -0.67 0.74 0.16 -0.34 0.00 0.00 178.44 178.43 1ovr h ILE 14 N -1.21 0.37 -0.49 4.05 3.07 -1.16 -1.23 117.51 120.91 1ovr h ILE 14 Ca -0.12 -0.09 -0.06 0.00 1.55 0.00 0.00 64.86 66.14 1ovr h ILE 14 Cb 0.88 0.09 -0.02 0.00 -0.27 0.00 0.00 36.82 37.50 1ovr h ILE 14 CO 0.19 0.05 0.06 0.50 -1.05 0.00 0.00 178.15 177.90 1ovr h LYS 15 N 0.26 0.83 -0.40 0.16 3.64 -1.61 0.91 116.57 120.36 1ovr h LYS 15 Ca 0.68 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1ovr h LYS 15 Cb 1.94 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 1ovr h LYS 15 CO -0.33 0.84 -0.28 0.37 -2.27 0.00 0.00 179.45 177.78 1ovr h GLN 16 N 0.70 0.85 -0.23 1.90 5.75 -1.29 0.27 115.11 123.06 1ovr h GLN 16 Ca 0.15 -0.38 0.04 0.00 -0.15 0.00 0.00 58.65 58.31 1ovr h GLN 16 Cb 0.43 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 1ovr h GLN 16 CO 0.01 1.02 -0.04 1.88 -2.65 0.00 0.00 178.83 179.06 1ovr h TYR 17 N 0.72 -0.08 -0.15 3.99 -1.99 -0.59 -2.69 116.97 116.18 1ovr h TYR 17 Ca 0.08 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 1ovr h TYR 17 Cb 0.83 0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1ovr h TYR 17 CO 0.05 -0.08 -0.29 0.00 -0.00 0.00 0.00 178.16 177.84 1ovr h ARG 18 N 0.02 0.28 -0.94 4.88 3.08 0.13 -1.76 114.38 120.08 1ovr h ARG 18 Ca 0.11 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1ovr h ARG 18 Cb 0.16 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1ovr h ARG 18 CO -0.22 0.55 0.61 1.49 -1.07 0.00 0.00 179.97 181.33 1ovr h GLU 19 N 0.25 1.09 -0.16 0.04 4.81 -0.17 -1.43 114.58 119.00 1ovr h GLU 19 Ca 0.04 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 1ovr h GLU 19 Cb 0.64 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ovr h GLU 19 CO 0.05 0.72 -0.73 0.00 -0.73 0.00 0.00 179.01 178.32 1ovr h ALA 20 N 1.47 0.40 0.00 2.92 0.00 -1.10 -2.36 119.26 120.59 1ovr h ALA 20 Ca 0.39 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ovr h ALA 20 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ovr h ALA 20 CO -0.14 0.70 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1ovr n LEU 21 N -3.93 0.01 0.24 0.00 4.77 -0.63 -0.93 117.00 116.54 1ovr n LEU 21 Ca -0.06 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1ovr n LEU 21 Cb 0.72 -0.50 0.61 0.00 -2.33 0.00 0.00 43.42 41.92 1ovr n LEU 21 CO 0.52 -0.27 0.90 -0.33 -1.33 0.00 0.00 177.39 176.88 1ovr h GLU 22 N 0.00 0.00 0.00 3.23 5.08 -0.75 -3.37 114.58 118.77 1ovr h GLU 22 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1ovr h GLU 22 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1ovr h GLU 22 CO 0.00 0.18 -1.74 0.66 -1.00 0.00 0.00 179.01 177.11 1ovr n TYR 23 N -3.74 0.00 -4.81 4.33 4.02 -0.24 -5.01 117.16 111.71 1ovr n TYR 23 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 1ovr n TYR 23 Cb 0.29 -0.51 -0.16 0.00 -0.02 0.00 0.00 39.34 38.94 1ovr n TYR 23 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ovr s VAL 24 N -2.26 1.43 -1.21 -0.72 -7.23 -0.10 -5.05 120.40 105.26 1ovr s VAL 24 Ca -0.14 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 1ovr s VAL 24 Cb 0.04 -1.25 0.19 0.00 0.56 0.00 0.00 36.38 35.92 1ovr s VAL 24 CO 0.34 0.42 1.47 0.29 -0.31 0.00 0.00 175.10 177.31 1ovr n LYS 25 N 3.44 3.48 -3.71 4.82 4.01 -1.26 -4.43 118.16 124.51 1ovr n LYS 25 Ca -0.20 -3.91 -0.37 0.00 -0.51 0.00 0.00 58.31 53.32 1ovr n LYS 25 Cb 0.53 -2.93 -0.10 0.00 -0.51 0.00 0.00 35.03 32.01 1ovr n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ovr s LEU 26 N 0.71 5.33 0.52 -0.35 1.43 -1.26 -4.99 118.68 120.07 1ovr s LEU 26 Ca 0.40 -2.52 0.38 0.00 -1.03 0.00 0.00 54.13 51.36 1ovr s LEU 26 Cb -0.01 -1.87 1.55 0.00 0.03 0.00 0.00 46.19 45.88 1ovr s LEU 26 CO -0.00 -0.46 1.71 -0.65 0.23 0.00 0.00 176.35 177.18 1ovr h PRO 27 N 7.49 0.05 -0.07 1.29 0.11 -1.99 0.12 132.00 139.00 1ovr h PRO 27 Ca -0.06 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.86 1ovr h PRO 27 Cb 0.99 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1ovr h PRO 27 CO 0.72 0.03 -0.73 -0.24 -0.21 0.00 0.00 178.00 177.57 1ovr h VAL 28 N 0.05 1.39 -0.33 3.15 3.04 -1.98 -0.61 116.25 120.96 1ovr h VAL 28 Ca 0.71 -2.17 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 1ovr h VAL 28 Cb 2.67 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 34.07 1ovr h VAL 28 CO -0.09 0.65 0.17 -0.07 -1.01 0.00 0.00 177.57 177.21 1ovr h LEU 29 N 0.25 0.42 -1.94 3.16 3.38 -1.20 -1.70 115.31 117.69 1ovr h LEU 29 Ca -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1ovr h LEU 29 Cb 1.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ovr h LEU 29 CO 0.12 0.41 -0.08 0.00 0.09 0.00 0.00 178.44 178.99 1ovr h ALA 30 N 1.03 1.15 0.06 1.53 0.00 -1.03 -2.28 119.26 119.73 1ovr h ALA 30 Ca 0.11 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1ovr h ALA 30 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ovr h ALA 30 CO -0.02 0.10 -1.34 -0.22 0.00 0.00 0.00 179.25 177.77 1ovr h LYS 31 N 0.00 0.13 0.28 0.00 1.63 -0.72 -2.75 116.57 115.15 1ovr h LYS 31 Ca -0.00 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1ovr h LYS 31 Cb 0.35 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1ovr h LYS 31 CO 0.01 0.99 -0.14 0.82 -3.45 0.00 0.00 179.45 177.69 1ovr h ILE 32 N 0.04 0.75 -0.92 2.00 2.04 -1.10 -3.01 117.51 117.30 1ovr h ILE 32 Ca -0.16 -0.29 0.14 0.00 1.00 0.00 0.00 64.86 65.55 1ovr h ILE 32 Cb 1.93 0.92 -0.15 0.00 -0.74 0.00 0.00 36.82 38.78 1ovr h ILE 32 CO 0.14 0.06 -0.37 -0.11 0.00 0.00 0.00 178.15 177.87 1ovr n LEU 33 N -5.19 -0.63 -0.30 1.44 -0.00 -0.88 -0.15 117.00 111.30 1ovr n LEU 33 Ca -0.10 1.61 0.01 0.00 -0.00 0.00 0.00 56.01 57.53 1ovr n LEU 33 Cb 0.22 -0.36 0.15 0.00 -0.00 0.00 0.00 43.42 43.43 1ovr n LEU 33 CO 0.34 -1.43 1.17 -0.08 -0.00 0.00 0.00 177.39 177.39 1ovr h GLU 34 N 0.00 0.88 -0.18 1.96 4.81 -1.39 -0.39 114.58 120.27 1ovr h GLU 34 Ca 0.31 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ovr h GLU 34 Cb 0.54 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ovr h GLU 34 CO -0.91 0.58 0.06 -0.44 -0.73 0.00 0.00 179.01 177.57 1ovr h ASP 35 N 0.90 0.26 -0.84 1.04 3.32 -0.42 -2.04 116.42 118.64 1ovr h ASP 35 Ca 0.38 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1ovr h ASP 35 Cb 0.23 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1ovr h ASP 35 CO -0.19 0.38 0.52 -0.33 -1.72 0.00 0.00 179.24 177.90 1ovr h GLU 36 N 0.12 0.93 -0.80 3.56 4.39 -0.62 1.17 114.58 123.34 1ovr h GLU 36 Ca 0.06 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1ovr h GLU 36 Cb 0.21 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1ovr h GLU 36 CO -0.00 0.62 0.50 0.93 -1.16 0.00 0.00 179.01 179.89 1ovr h GLU 37 N 0.96 0.90 0.39 2.33 5.08 -0.84 0.59 114.58 123.98 1ovr h GLU 37 Ca 0.36 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1ovr h GLU 37 Cb 0.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ovr h GLU 37 CO -0.17 0.60 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.04 1ovr h LYS 38 N 0.93 -0.50 -1.25 2.33 3.64 -0.53 -2.47 116.57 118.71 1ovr h LYS 38 Ca 0.34 0.03 0.36 0.00 -1.27 0.00 0.00 60.65 60.11 1ovr h LYS 38 Cb 0.11 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1ovr h LYS 38 CO -0.15 -0.31 0.88 0.45 -2.27 0.00 0.00 179.45 178.05 1ovr h HIS 39 N -0.56 0.15 0.00 1.91 3.86 0.37 -0.63 115.15 120.25 1ovr h HIS 39 Ca -0.05 0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.89 1ovr h HIS 39 Cb 0.42 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 1ovr h HIS 39 CO -0.04 -0.01 -1.60 0.82 0.86 0.00 0.00 177.93 177.96 1ovr h ILE 40 N 0.08 0.95 -0.25 2.45 2.04 0.32 -3.09 117.51 120.00 1ovr h ILE 40 Ca 0.63 -2.78 -0.16 0.00 1.00 0.00 0.00 64.86 63.56 1ovr h ILE 40 Cb 2.31 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 40.85 1ovr h ILE 40 CO -0.09 0.54 -0.47 -0.08 0.00 0.00 0.00 178.15 178.05 1ovr h GLU 41 N 0.00 0.67 -0.57 2.37 4.81 -0.68 -1.79 114.58 119.39 1ovr h GLU 41 Ca -0.24 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.54 1ovr h GLU 41 Cb 1.97 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.35 1ovr h GLU 41 CO 0.08 1.00 0.12 -1.49 -0.73 0.00 0.00 179.01 177.99 1ovr h TRP 42 N 0.53 0.99 -0.44 0.92 6.55 -1.48 0.13 115.95 123.15 1ovr h TRP 42 Ca 0.03 -0.13 0.04 0.00 0.95 0.00 0.00 58.89 59.78 1ovr h TRP 42 Cb 1.02 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 29.01 1ovr h TRP 42 CO 0.05 0.85 0.21 -0.07 -1.05 0.00 0.00 178.44 178.43 1ovr h LEU 43 N 0.83 0.30 -0.48 -4.49 3.38 -1.43 0.88 115.31 114.30 1ovr h LEU 43 Ca 0.18 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1ovr h LEU 43 Cb 0.38 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ovr h LEU 43 CO 0.01 0.21 0.05 -0.33 0.09 0.00 0.00 178.44 178.47 1ovr h GLU 44 N 0.43 0.81 -0.17 1.13 5.08 -0.85 0.31 114.58 121.31 1ovr h GLU 44 Ca 0.20 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ovr h GLU 44 Cb 0.12 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1ovr h GLU 44 CO -0.15 0.83 -0.06 1.15 -1.00 0.00 0.00 179.01 179.78 1ovr h THR 45 N 0.67 0.79 0.00 1.13 2.02 -0.26 -1.29 112.91 115.98 1ovr h THR 45 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1ovr h THR 45 Cb 0.43 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ovr h THR 45 CO 0.01 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.20 1ovr n ILE 46 N -5.20 0.56 0.59 3.11 -5.35 0.26 -1.39 119.36 111.95 1ovr n ILE 46 Ca -0.03 -0.03 0.13 0.00 -0.27 0.00 0.00 62.75 62.55 1ovr n ILE 46 Cb 0.13 -0.75 0.36 0.00 -1.74 0.00 0.00 39.64 37.63 1ovr n ILE 46 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1ovr h LEU 47 N 0.00 0.00 0.00 7.28 3.38 0.43 -3.51 115.31 122.90 1ovr h LEU 47 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ovr h LEU 47 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ovr h LEU 47 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15