#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf9 s LEU 2 N 0.00 2.78 -0.38 0.00 2.96 -1.26 -5.09 118.68 117.69 1hf9 s LEU 2 Ca 0.00 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.36 1hf9 s LEU 2 Cb 0.00 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1hf9 s LEU 2 CO 0.00 0.07 0.50 -0.54 -1.32 0.00 0.00 176.35 175.06 1hf9 s LYS 3 N 0.94 3.43 -0.12 1.98 3.01 -1.26 -4.89 119.74 122.83 1hf9 s LYS 3 Ca -0.02 -0.37 -0.06 0.00 -1.01 0.00 0.00 55.97 54.51 1hf9 s LYS 3 Cb -0.15 -3.87 -0.05 0.00 -1.01 0.00 0.00 37.83 32.75 1hf9 s LYS 3 CO -0.00 -0.74 -0.15 1.17 0.51 0.00 0.00 175.35 176.13 1hf9 n LYS 4 N 5.76 0.25 0.23 1.68 4.81 -1.26 -4.41 118.16 125.22 1hf9 n LYS 4 Ca -0.05 0.11 0.12 0.00 -0.87 0.00 0.00 58.31 57.61 1hf9 n LYS 4 Cb 0.48 -0.93 0.72 0.00 0.02 0.00 0.00 35.03 35.32 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1hf9 h HIS 5 N -0.42 0.00 -0.27 5.64 2.07 -2.00 -1.79 115.15 118.37 1hf9 h HIS 5 Ca -0.30 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.10 1hf9 h HIS 5 Cb 1.27 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.24 1hf9 h HIS 5 CO -0.04 0.00 -0.27 0.45 -3.07 0.00 0.00 177.93 175.00 1hf9 h HIS 6 N 0.00 0.79 -0.04 6.12 3.86 -1.97 -2.43 115.15 121.49 1hf9 h HIS 6 Ca 0.04 -0.24 -0.06 0.00 -1.16 0.00 0.00 60.37 58.95 1hf9 h HIS 6 Cb 0.17 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1hf9 h HIS 6 CO 0.00 0.97 -0.28 0.93 0.86 0.00 0.00 177.93 180.41 1hf9 h GLU 7 N 0.39 0.06 -0.17 2.45 4.39 -1.55 -2.26 114.58 117.89 1hf9 h GLU 7 Ca 0.04 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1hf9 h GLU 7 Cb 0.83 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1hf9 h GLU 7 CO 0.07 0.34 -0.13 -0.97 -1.16 0.00 0.00 179.01 177.16 1hf9 h ASN 8 N 0.06 0.41 -0.55 1.42 -1.24 -1.31 -1.08 115.58 113.29 1hf9 h ASN 8 Ca 0.01 -0.45 0.01 0.00 0.71 0.00 0.00 56.30 56.58 1hf9 h ASN 8 Cb 0.53 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 1hf9 h ASN 8 CO 0.04 0.78 0.35 -0.08 -1.29 0.00 0.00 177.43 177.23 1hf9 h GLU 9 N 0.05 0.69 0.00 6.67 4.81 -1.21 -0.83 114.58 124.76 1hf9 h GLU 9 Ca 0.03 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1hf9 h GLU 9 Cb 0.65 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1hf9 h GLU 9 CO 0.04 0.45 -0.09 -0.84 -0.73 0.00 0.00 179.01 177.84 1hf9 h ILE 10 N 0.71 0.25 -0.62 2.32 3.07 -1.39 -2.38 117.51 119.47 1hf9 h ILE 10 Ca 0.21 -0.74 -0.09 0.00 1.55 0.00 0.00 64.86 65.79 1hf9 h ILE 10 Cb -0.04 1.59 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 1hf9 h ILE 10 CO -0.06 0.09 0.04 -1.28 -1.05 0.00 0.00 178.15 175.89 1hf9 h SER 11 N 0.00 1.03 0.32 2.16 0.87 0.20 -1.29 113.55 116.84 1hf9 h SER 11 Ca -0.00 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.12 1hf9 h SER 11 Cb 0.58 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1hf9 h SER 11 CO 0.01 1.06 -0.63 -0.74 -0.53 0.00 0.00 176.83 176.01 1hf9 h HIS 12 N 0.97 0.38 -0.11 2.24 -0.00 -1.07 -2.87 115.15 114.69 1hf9 h HIS 12 Ca 0.18 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.32 1hf9 h HIS 12 Cb 0.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1hf9 h HIS 12 CO 0.04 0.84 -0.28 0.45 -0.00 0.00 0.00 177.93 178.97 1hf9 h HIS 13 N 0.21 0.23 0.17 5.26 3.86 -1.04 -0.39 115.15 123.46 1hf9 h HIS 13 Ca -0.01 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1hf9 h HIS 13 Cb 1.15 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1hf9 h HIS 13 CO 0.03 0.48 -0.08 0.00 0.86 0.00 0.00 177.93 179.21 1hf9 h ALA 14 N 1.52 -0.23 0.00 2.45 0.00 -1.09 -1.26 119.26 120.65 1hf9 h ALA 14 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1hf9 h ALA 14 Cb 0.60 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1hf9 h ALA 14 CO 0.04 -0.40 0.00 0.87 0.00 0.00 0.00 179.25 179.77 1hf9 h LYS 15 N -0.69 0.00 0.17 0.00 1.79 -1.44 -2.20 116.57 114.20 1hf9 h LYS 15 Ca -0.02 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.12 1hf9 h LYS 15 Cb 0.49 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1hf9 h LYS 15 CO 0.04 0.00 -1.53 1.49 -1.08 0.00 0.00 179.45 178.36 1hf9 h GLU 16 N 0.00 0.37 -0.13 3.15 4.57 -0.77 -2.03 114.58 119.74 1hf9 h GLU 16 Ca 0.00 -0.62 -0.20 0.00 -1.18 0.00 0.00 59.36 57.35 1hf9 h GLU 16 Cb 0.22 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1hf9 h GLU 16 CO 0.00 1.27 -0.74 -0.84 -1.18 0.00 0.00 179.01 177.52 1hf9 h ILE 17 N 0.10 1.32 -0.03 2.32 -0.00 -0.66 -1.37 117.51 119.19 1hf9 h ILE 17 Ca -0.26 -2.03 -0.22 0.00 -0.00 0.00 0.00 64.86 62.36 1hf9 h ILE 17 Cb 2.07 2.01 0.00 0.00 -0.00 0.00 0.00 36.82 40.91 1hf9 h ILE 17 CO 0.20 0.63 -0.88 -0.08 -0.00 0.00 0.00 178.15 178.03 1hf9 h GLU 18 N 0.43 0.45 -0.09 0.16 4.81 -1.54 -2.63 114.58 116.17 1hf9 h GLU 18 Ca -0.04 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 1hf9 h GLU 18 Cb 1.34 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1hf9 h GLU 18 CO 0.14 1.09 -0.56 0.00 -0.73 0.00 0.00 179.01 178.95 1hf9 h ARG 19 N 0.27 0.27 -0.33 1.92 2.47 -1.37 -2.70 114.38 114.92 1hf9 h ARG 19 Ca -0.07 -0.17 -0.16 0.00 -1.26 0.00 0.00 59.98 58.32 1hf9 h ARG 19 Cb 1.49 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.83 1hf9 h ARG 19 CO 0.15 0.75 -0.44 -0.07 0.56 0.00 0.00 179.97 180.93 1hf9 h LEU 20 N 0.20 0.91 -0.41 3.04 3.38 -1.23 -2.44 115.31 118.76 1hf9 h LEU 20 Ca 0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1hf9 h LEU 20 Cb 1.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1hf9 h LEU 20 CO 0.09 1.21 0.20 1.56 0.09 0.00 0.00 178.44 181.59 1hf9 h GLN 21 N 0.68 0.59 -0.32 1.13 1.08 -1.36 -1.77 115.11 115.14 1hf9 h GLN 21 Ca 0.04 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1hf9 h GLN 21 Cb 1.02 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 1hf9 h GLN 21 CO 0.10 0.51 -0.00 1.57 -0.95 0.00 0.00 178.83 180.06 1hf9 h LYS 22 N 0.53 0.50 -0.43 1.46 2.10 -1.45 -2.46 116.57 116.81 1hf9 h LYS 22 Ca 0.14 -0.10 -0.11 0.00 -2.00 0.00 0.00 60.65 58.58 1hf9 h LYS 22 Cb 0.11 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1hf9 h LYS 22 CO -0.02 0.53 -0.17 1.49 -2.00 0.00 0.00 179.45 179.28 1hf9 h GLU 23 N 0.48 0.83 -0.68 0.07 4.81 -1.00 -2.54 114.58 116.54 1hf9 h GLU 23 Ca 0.10 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1hf9 h GLU 23 Cb 0.32 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1hf9 h GLU 23 CO 0.01 0.94 0.16 -0.84 -0.73 0.00 0.00 179.01 178.55 1hf9 h ILE 24 N 0.73 1.26 -0.80 2.32 -0.00 -0.89 -2.67 117.51 117.47 1hf9 h ILE 24 Ca 0.11 -0.96 -0.01 0.00 -0.00 0.00 0.00 64.86 64.00 1hf9 h ILE 24 Cb 0.68 0.58 -0.04 0.00 -0.00 0.00 0.00 36.82 38.04 1hf9 h ILE 24 CO 0.05 0.37 0.47 -0.08 -0.00 0.00 0.00 178.15 178.95 1hf9 h GLU 25 N 1.02 1.09 -0.64 0.16 4.81 -1.29 -0.47 114.58 119.26 1hf9 h GLU 25 Ca 0.21 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1hf9 h GLU 25 Cb 0.37 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1hf9 h GLU 25 CO 0.00 0.78 0.37 -0.09 -0.73 0.00 0.00 179.01 179.35 1hf9 h ARG 26 N 1.10 0.68 0.00 1.92 2.43 -1.15 0.12 114.38 119.48 1hf9 h ARG 26 Ca 0.28 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1hf9 h ARG 26 Cb -0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1hf9 h ARG 26 CO -0.05 0.45 -0.22 0.45 -1.51 0.00 0.00 179.97 179.09 1hf9 h HIS 27 N 0.70 0.00 0.00 2.20 3.86 -1.10 -2.30 115.15 118.52 1hf9 h HIS 27 Ca 0.28 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.39 1hf9 h HIS 27 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1hf9 h HIS 27 CO -0.07 0.22 -0.45 -0.22 0.86 0.00 0.00 177.93 178.27 1hf9 h LYS 28 N 0.00 0.00 0.05 2.45 3.64 0.83 -2.04 116.57 121.50 1hf9 h LYS 28 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1hf9 h LYS 28 Cb 0.62 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1hf9 h LYS 28 CO 0.03 0.45 -0.88 0.37 -2.27 0.00 0.00 179.45 177.15 1hf9 h GLN 29 N 0.00 0.50 -0.53 1.90 4.15 -0.64 -1.80 115.11 118.70 1hf9 h GLN 29 Ca -0.00 -0.61 -0.11 0.00 0.77 0.00 0.00 58.65 58.70 1hf9 h GLN 29 Cb 1.00 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1hf9 h GLN 29 CO 0.06 1.24 -0.09 0.77 -1.93 0.00 0.00 178.83 178.88 1hf9 h SER 30 N 0.04 0.99 0.08 -0.69 0.02 -1.48 -1.14 113.55 111.37 1hf9 h SER 30 Ca -0.12 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.32 1hf9 h SER 30 Cb 1.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1hf9 h SER 30 CO 0.17 1.10 -0.56 -0.29 -1.14 0.00 0.00 176.83 176.11 1hf9 h ILE 31 N 0.86 1.33 0.00 3.27 6.09 -1.45 -2.60 117.51 125.00 1hf9 h ILE 31 Ca 0.14 -1.83 -0.01 0.00 -1.37 0.00 0.00 64.86 61.79 1hf9 h ILE 31 Cb 0.65 1.81 -0.00 0.00 0.47 0.00 0.00 36.82 39.75 1hf9 h ILE 31 CO 0.04 0.56 -0.05 0.50 -3.07 0.00 0.00 178.15 176.14 1hf9 h LYS 32 N 0.38 0.00 0.20 2.19 3.64 -1.20 -2.18 116.57 119.60 1hf9 h LYS 32 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1hf9 h LYS 32 Cb 1.10 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1hf9 h LYS 32 CO 0.10 0.05 -1.49 -0.22 -2.27 0.00 0.00 179.45 175.62 1hf9 h LYS 33 N 0.00 0.42 0.00 1.90 3.64 -1.00 -2.00 116.57 119.54 1hf9 h LYS 33 Ca -0.00 -0.72 -0.09 0.00 -1.27 0.00 0.00 60.65 58.56 1hf9 h LYS 33 Cb 0.77 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1hf9 h LYS 33 CO 0.01 1.33 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.96 1hf9 h LEU 34 N 0.12 0.00 0.00 5.20 3.38 -1.46 -2.30 115.31 120.25 1hf9 h LEU 34 Ca -0.25 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.47 1hf9 h LEU 34 Cb 2.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.81 1hf9 h LEU 34 CO 0.23 0.44 -1.35 0.07 0.09 0.00 0.00 178.44 177.92 1hf9 h LYS 35 N 0.00 0.01 0.04 1.13 5.09 -1.49 -3.02 116.57 118.33 1hf9 h LYS 35 Ca -0.01 -0.02 -0.23 0.00 0.09 0.00 0.00 60.65 60.48 1hf9 h LYS 35 Cb 1.34 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.66 1hf9 h LYS 35 CO 0.06 0.77 -1.07 1.96 -2.09 0.00 0.00 179.45 179.07 1hf9 h GLN 36 N 0.00 0.08 0.00 0.07 4.20 -1.40 -3.19 115.11 114.88 1hf9 h GLN 36 Ca -0.15 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.32 1hf9 h GLN 36 Cb 1.89 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.71 1hf9 h GLN 36 CO 0.11 1.07 -0.52 1.03 -0.67 0.00 0.00 178.83 179.84 1hf9 h SER 37 N 0.02 0.00 0.94 1.46 0.87 -1.52 -3.08 113.55 112.25 1hf9 h SER 37 Ca -0.05 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1hf9 h SER 37 Cb 1.83 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 1hf9 h SER 37 CO 0.15 0.52 -0.48 -0.33 -0.53 0.00 0.00 176.83 176.16 1hf9 h GLU 38 N 0.00 0.00 0.00 2.24 4.39 -1.55 -3.01 114.58 116.64 1hf9 h GLU 38 Ca -0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1hf9 h GLU 38 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1hf9 h GLU 38 CO 0.07 0.48 -0.49 0.22 -1.16 0.00 0.00 179.01 178.13 1hf9 h ASP 39 N 0.00 0.00 -3.75 1.42 3.58 -1.52 -3.50 116.42 112.65 1hf9 h ASP 39 Ca -0.00 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.67 1hf9 h ASP 39 Cb 1.08 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.01 1hf9 h ASP 39 CO 0.06 0.49 -0.79 0.47 -2.88 0.00 0.00 179.24 176.58 1hf9 n ASP 40 N -3.30 -5.12 0.00 2.28 8.00 -1.14 -5.13 116.55 112.13 1hf9 n ASP 40 Ca 0.01 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.42 1hf9 n ASP 40 Cb 0.68 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28