#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 0.07 -0.21 1.24 -0.00 -2.05 0.21 116.97 116.22 1ovr h TYR 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.59 1ovr h TYR 2 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 36.71 1ovr h TYR 2 CO 0.00 0.03 -0.43 -0.07 -0.00 0.00 0.00 178.16 177.69 1ovr h LEU 3 N 0.06 0.75 -1.41 0.10 3.38 -2.01 -1.83 115.31 114.35 1ovr h LEU 3 Ca 0.19 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1ovr h LEU 3 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ovr h LEU 3 CO -0.01 1.16 0.15 0.03 0.09 0.00 0.00 178.44 179.85 1ovr h ARG 4 N 0.37 0.55 -0.19 1.13 3.08 -1.37 -1.77 114.38 116.17 1ovr h ARG 4 Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1ovr h ARG 4 Cb 1.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1ovr h ARG 4 CO 0.10 0.46 -0.01 0.93 -1.07 0.00 0.00 179.97 180.37 1ovr h GLU 5 N 0.55 0.34 -0.45 0.04 4.39 -0.20 0.38 114.58 119.63 1ovr h GLU 5 Ca 0.13 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1ovr h GLU 5 Cb 0.12 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1ovr h GLU 5 CO -0.01 0.56 0.19 -0.07 -1.16 0.00 0.00 179.01 178.52 1ovr h LEU 6 N 0.08 0.25 -0.05 1.33 3.38 -1.06 0.30 115.31 119.53 1ovr h LEU 6 Ca 0.05 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ovr h LEU 6 Cb 0.42 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1ovr h LEU 6 CO 0.01 0.18 -0.41 0.25 0.09 0.00 0.00 178.44 178.56 1ovr h LEU 7 N 0.39 -1.28 -1.94 1.67 5.85 -0.78 0.22 115.31 119.44 1ovr h LEU 7 Ca 0.20 0.15 0.24 0.00 0.84 0.00 0.00 57.88 59.31 1ovr h LEU 7 Cb 0.15 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1ovr h LEU 7 CO -0.17 -0.38 0.66 0.50 -0.34 0.00 0.00 178.44 178.70 1ovr h LYS 8 N -0.47 0.00 0.00 1.25 1.63 0.33 0.39 116.57 119.69 1ovr h LYS 8 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ovr h LYS 8 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1ovr h LYS 8 CO -0.30 0.00 -0.22 -0.11 -3.45 0.00 0.00 179.45 175.37 1ovr n LEU 9 N -4.05 0.61 -0.07 5.20 7.94 0.99 -3.13 117.00 124.49 1ovr n LEU 9 Ca 0.17 0.42 -0.15 0.00 -1.11 0.00 0.00 56.01 55.34 1ovr n LEU 9 Cb 0.95 -0.31 -0.14 0.00 0.53 0.00 0.00 43.42 44.45 1ovr n LEU 9 CO 0.35 -0.09 -0.99 -0.62 -1.11 0.00 0.00 177.39 174.93 1ovr n GLU 10 N -2.02 0.68 -0.20 1.96 -0.58 0.13 -3.56 120.64 117.05 1ovr n GLU 10 Ca 0.05 0.17 -0.07 0.00 -0.42 0.00 0.00 57.16 56.88 1ovr n GLU 10 Cb 0.41 -1.62 0.07 0.00 -0.57 0.00 0.00 31.44 29.72 1ovr n GLU 10 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ovr h LEU 11 N 0.02 0.99 -0.90 -4.62 3.38 -1.38 0.26 115.31 113.07 1ovr h LEU 11 Ca -0.47 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.14 1ovr h LEU 11 Cb 2.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1ovr h LEU 11 CO 0.02 1.01 -0.41 1.56 0.09 0.00 0.00 178.44 180.72 1ovr h GLN 12 N 0.95 0.29 -0.48 1.13 4.20 -1.70 -2.95 115.11 116.55 1ovr h GLN 12 Ca 0.18 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1ovr h GLN 12 Cb 0.48 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1ovr h GLN 12 CO 0.02 0.66 -0.23 1.25 -0.67 0.00 0.00 178.83 179.86 1ovr h LEU 13 N 0.25 1.03 -1.09 1.46 5.85 -1.45 -3.31 115.31 118.05 1ovr h LEU 13 Ca 0.02 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1ovr h LEU 13 Cb 0.83 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1ovr h LEU 13 CO 0.07 1.20 0.31 -0.29 -0.34 0.00 0.00 178.44 179.39 1ovr h ILE 14 N 0.86 1.22 0.00 4.05 2.10 -0.32 -2.68 117.51 122.73 1ovr h ILE 14 Ca 0.11 -0.63 -0.07 0.00 1.08 0.00 0.00 64.86 65.35 1ovr h ILE 14 Cb 0.81 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1ovr h ILE 14 CO 0.07 0.26 -0.34 0.50 -1.08 0.00 0.00 178.15 177.57 1ovr h LYS 15 N 0.95 0.00 0.17 2.19 3.64 -1.63 -0.80 116.57 121.09 1ovr h LYS 15 Ca 0.23 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.27 1ovr h LYS 15 Cb 0.12 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1ovr h LYS 15 CO -0.03 0.34 -1.69 1.96 -2.27 0.00 0.00 179.45 177.76 1ovr h GLN 16 N 0.00 0.36 -0.82 1.90 1.08 -1.59 0.15 115.11 116.20 1ovr h GLN 16 Ca -0.00 -0.62 -0.04 0.00 -1.45 0.00 0.00 58.65 56.53 1ovr h GLN 16 Cb 0.78 0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 28.40 1ovr h GLN 16 CO 0.04 1.27 0.35 1.88 -0.95 0.00 0.00 178.83 181.43 1ovr h TYR 17 N 0.10 1.22 -0.19 2.96 -1.99 -1.19 -2.77 116.97 115.12 1ovr h TYR 17 Ca -0.32 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.32 1ovr h TYR 17 Cb 2.08 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 40.44 1ovr h TYR 17 CO 0.09 0.91 0.06 0.00 -0.00 0.00 0.00 178.16 179.22 1ovr h ARG 18 N 1.18 0.29 0.00 4.88 3.08 -1.15 0.54 114.38 123.21 1ovr h ARG 18 Ca 0.28 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ovr h ARG 18 Cb 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ovr h ARG 18 CO -0.03 0.38 0.00 1.49 -1.07 0.00 0.00 179.97 180.75 1ovr h GLU 19 N 0.13 0.00 0.04 0.04 4.81 -0.57 -1.29 114.58 117.74 1ovr h GLU 19 Ca 0.06 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 1ovr h GLU 19 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1ovr h GLU 19 CO -0.00 0.00 -1.01 0.00 -0.73 0.00 0.00 179.01 177.27 1ovr h ALA 20 N 2.09 0.17 0.00 2.92 0.00 -1.13 -3.33 119.26 120.00 1ovr h ALA 20 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1ovr h ALA 20 Cb 0.15 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ovr h ALA 20 CO 0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1ovr n LEU 21 N -4.30 0.00 -0.00 0.00 4.77 0.13 -0.42 117.00 117.18 1ovr n LEU 21 Ca -0.24 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.52 1ovr n LEU 21 Cb 0.71 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.66 1ovr n LEU 21 CO 0.30 0.00 -0.66 -0.33 -1.33 0.00 0.00 177.39 175.37 1ovr h GLU 22 N 0.00 0.24 0.00 3.23 5.08 -1.61 -3.39 114.58 118.13 1ovr h GLU 22 Ca 0.00 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1ovr h GLU 22 Cb 0.00 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1ovr h GLU 22 CO 0.00 1.20 -2.03 0.66 -1.00 0.00 0.00 179.01 177.83 1ovr n TYR 23 N -3.72 0.00 -4.46 4.33 4.02 0.45 -4.95 117.16 112.82 1ovr n TYR 23 Ca -0.30 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.37 1ovr n TYR 23 Cb 0.97 -0.55 -0.16 0.00 -0.02 0.00 0.00 39.34 39.58 1ovr n TYR 23 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ovr s VAL 24 N -3.40 0.91 -0.68 -0.72 1.01 -0.13 -5.06 120.40 112.33 1ovr s VAL 24 Ca -0.08 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1ovr s VAL 24 Cb 0.13 -0.83 0.34 0.00 0.00 0.00 0.00 36.38 36.03 1ovr s VAL 24 CO 0.90 0.29 1.19 0.29 0.00 0.00 0.00 175.10 177.77 1ovr n LYS 25 N 3.52 3.76 -2.99 2.72 5.02 -1.26 -3.94 118.16 124.99 1ovr n LYS 25 Ca -0.21 -4.76 -0.40 0.00 -2.02 0.00 0.00 58.31 50.92 1ovr n LYS 25 Cb 0.53 -2.29 -0.04 0.00 -0.02 0.00 0.00 35.03 33.20 1ovr n LYS 25 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1ovr s LEU 26 N -3.70 4.29 0.24 -0.35 0.05 -1.26 -4.98 118.68 112.98 1ovr s LEU 26 Ca 0.47 1.22 -0.14 0.00 0.05 0.00 0.00 54.13 55.73 1ovr s LEU 26 Cb 0.27 -3.15 0.32 0.00 -2.05 0.00 0.00 46.19 41.58 1ovr s LEU 26 CO -0.15 -0.18 1.53 -2.65 -0.55 0.00 0.00 176.35 174.35 1ovr n PRO 27 N 4.07 -0.18 -0.33 1.48 -0.02 -1.26 -2.07 135.00 136.70 1ovr n PRO 27 Ca 0.00 1.52 0.03 0.00 -2.02 0.00 0.00 63.50 63.03 1ovr n PRO 27 Cb 0.51 -2.26 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 1ovr n PRO 27 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1ovr h VAL 28 N 0.00 1.00 0.55 -1.45 3.04 -1.99 -1.32 116.25 116.09 1ovr h VAL 28 Ca 0.39 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 1ovr h VAL 28 Cb 0.64 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1ovr h VAL 28 CO -0.99 0.18 -0.31 -0.07 -1.01 0.00 0.00 177.57 175.37 1ovr h LEU 29 N 0.98 -0.77 -1.51 3.16 3.38 -1.83 0.70 115.31 119.42 1ovr h LEU 29 Ca 0.41 0.04 0.36 0.00 0.09 0.00 0.00 57.88 58.78 1ovr h LEU 29 Cb 0.26 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1ovr h LEU 29 CO -0.20 -0.50 0.81 0.00 0.09 0.00 0.00 178.44 178.63 1ovr h ALA 30 N -0.39 2.65 -0.11 1.53 0.00 -1.34 0.12 119.26 121.72 1ovr h ALA 30 Ca -0.07 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ovr h ALA 30 Cb 0.64 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ovr h ALA 30 CO 0.09 -1.15 -0.20 0.87 0.00 0.00 0.00 179.25 178.86 1ovr h LYS 31 N 0.19 0.32 -0.09 0.00 1.57 -0.10 -3.08 116.57 115.37 1ovr h LYS 31 Ca 0.70 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 59.22 1ovr h LYS 31 Cb 2.17 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.49 1ovr h LYS 31 CO -0.29 0.79 -0.22 0.82 -0.57 0.00 0.00 179.45 179.98 1ovr h ILE 32 N -0.12 1.20 -0.82 1.86 2.04 0.14 -2.71 117.51 119.11 1ovr h ILE 32 Ca 0.01 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1ovr h ILE 32 Cb 0.78 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1ovr h ILE 32 CO 0.04 0.28 0.46 -0.07 0.00 0.00 0.00 178.15 178.86 1ovr h LEU 33 N 0.14 1.02 -0.75 1.44 3.38 -1.11 -2.31 115.31 117.12 1ovr h LEU 33 Ca 0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1ovr h LEU 33 Cb 0.48 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ovr h LEU 33 CO 0.03 0.82 0.16 -0.08 0.09 0.00 0.00 178.44 179.47 1ovr h GLU 34 N 1.14 1.11 0.17 1.13 4.81 -1.40 0.96 114.58 122.51 1ovr h GLU 34 Ca 0.29 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ovr h GLU 34 Cb 0.02 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1ovr h GLU 34 CO -0.05 0.98 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.69 1ovr h ASP 35 N 1.05 -0.20 -0.27 1.04 3.32 -1.36 -1.57 116.42 118.44 1ovr h ASP 35 Ca 0.22 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.20 1ovr h ASP 35 Cb 0.38 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.90 1ovr h ASP 35 CO 0.00 0.01 -0.36 -0.33 -1.72 0.00 0.00 179.24 176.84 1ovr h GLU 36 N -0.40 -0.35 -0.48 3.56 4.39 -0.99 1.22 114.58 121.53 1ovr h GLU 36 Ca -0.02 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1ovr h GLU 36 Cb 0.31 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.94 1ovr h GLU 36 CO 0.04 -0.23 -0.41 0.93 -1.16 0.00 0.00 179.01 178.18 1ovr h GLU 37 N -0.36 -0.26 -0.40 2.33 5.08 -0.81 0.21 114.58 120.37 1ovr h GLU 37 Ca 0.12 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1ovr h GLU 37 Cb 0.57 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 1ovr h GLU 37 CO -0.46 -0.17 -0.39 0.87 -1.00 0.00 0.00 179.01 177.86 1ovr h LYS 38 N -0.27 -0.29 -0.24 2.33 1.57 0.02 -1.44 116.57 118.25 1ovr h LYS 38 Ca 0.17 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 1ovr h LYS 38 Cb 0.57 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1ovr h LYS 38 CO -0.62 -0.19 0.22 0.45 -0.57 0.00 0.00 179.45 178.74 1ovr h HIS 39 N -0.30 0.00 0.00 -1.35 3.86 0.34 -0.77 115.15 116.94 1ovr h HIS 39 Ca 0.15 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.15 1ovr h HIS 39 Cb 0.57 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1ovr h HIS 39 CO -0.59 0.00 -1.14 0.82 0.86 0.00 0.00 177.93 177.88 1ovr h ILE 40 N 0.00 1.24 -0.17 2.45 2.04 0.35 -2.95 117.51 120.46 1ovr h ILE 40 Ca 0.12 -2.91 -0.05 0.00 1.00 0.00 0.00 64.86 63.02 1ovr h ILE 40 Cb 0.56 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1ovr h ILE 40 CO -0.00 0.71 -0.07 -0.33 0.00 0.00 0.00 178.15 178.46 1ovr h GLU 41 N 0.00 0.35 -0.39 2.37 5.08 -0.43 -1.34 114.58 120.22 1ovr h GLU 41 Ca -0.09 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1ovr h GLU 41 Cb 1.75 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 1ovr h GLU 41 CO 0.10 0.65 0.23 -1.49 -1.00 0.00 0.00 179.01 177.49 1ovr h TRP 42 N 0.04 0.43 -0.41 4.33 6.55 -1.54 -0.91 115.95 124.44 1ovr h TRP 42 Ca 0.04 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 1ovr h TRP 42 Cb 0.53 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 1ovr h TRP 42 CO 0.06 0.25 0.24 -0.07 -1.05 0.00 0.00 178.44 177.87 1ovr h LEU 43 N 0.47 0.49 0.52 -4.49 3.38 -1.47 -1.11 115.31 113.09 1ovr h LEU 43 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ovr h LEU 43 Cb 0.01 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ovr h LEU 43 CO -0.07 0.39 -0.25 -0.33 0.09 0.00 0.00 178.44 178.27 1ovr h GLU 44 N 0.57 -0.67 -0.91 1.13 5.08 -0.52 -1.55 114.58 117.71 1ovr h GLU 44 Ca 0.15 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1ovr h GLU 44 Cb -0.01 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.28 1ovr h GLU 44 CO -0.03 -0.45 -0.53 2.41 -1.00 0.00 0.00 179.01 179.42 1ovr n THR 45 N -4.55 -0.61 -0.35 1.13 -1.04 -0.41 -0.88 114.28 107.57 1ovr n THR 45 Ca -0.09 2.21 0.09 0.00 -2.04 0.00 0.00 64.05 64.22 1ovr n THR 45 Cb 0.27 -2.74 0.28 0.00 -1.82 0.00 0.00 70.33 66.32 1ovr n THR 45 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ovr h ILE 46 N 0.00 0.86 -2.17 12.58 2.04 -1.23 -3.38 117.51 126.20 1ovr h ILE 46 Ca 0.16 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 1ovr h ILE 46 Cb 0.39 -0.12 0.06 0.00 -0.74 0.00 0.00 36.82 36.41 1ovr h ILE 46 CO -0.86 0.16 0.05 0.18 0.00 0.00 0.00 178.15 177.69 1ovr n LEU 47 N -4.64 0.00 0.00 1.44 4.77 -0.05 -5.10 117.00 113.41 1ovr n LEU 47 Ca 0.20 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1ovr n LEU 47 Cb 0.42 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ovr n LEU 47 CO 0.26 -1.27 0.00 0.61 -1.33 0.00 0.00 177.39 175.67