#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 3.83 -0.30 0.00 1.02 -1.26 -4.98 118.68 116.98 1hf9 s LEU 2 Ca 0.00 1.35 0.10 0.00 0.02 0.00 0.00 54.13 55.60 1hf9 s LEU 2 Cb 0.00 -4.23 0.65 0.00 0.02 0.00 0.00 46.19 42.63 1hf9 s LEU 2 CO 0.00 -0.41 1.67 0.29 0.02 0.00 0.00 176.35 177.92 1hf9 n LYS 3 N -1.12 3.04 0.10 1.70 4.01 -1.26 -4.46 118.16 120.17 1hf9 n LYS 3 Ca 0.04 -3.06 -0.16 0.00 -0.51 0.00 0.00 58.31 54.63 1hf9 n LYS 3 Cb 0.54 -2.06 -0.14 0.00 -0.51 0.00 0.00 35.03 32.86 1hf9 n LYS 3 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1hf9 h LYS 4 N 1.99 0.27 -0.09 1.97 1.57 -2.02 -3.24 116.57 117.03 1hf9 h LYS 4 Ca 0.24 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1hf9 h LYS 4 Cb 2.08 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 34.56 1hf9 h LYS 4 CO 0.60 1.21 0.14 1.12 -0.57 0.00 0.00 179.45 181.96 1hf9 h HIS 5 N 0.07 0.00 0.32 -1.35 2.07 -2.01 -2.34 115.15 111.92 1hf9 h HIS 5 Ca -0.14 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.37 1hf9 h HIS 5 Cb 1.97 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.96 1hf9 h HIS 5 CO 0.06 0.00 -0.15 0.45 -3.07 0.00 0.00 177.93 175.22 1hf9 h HIS 6 N 0.00 -0.40 0.00 6.12 3.86 -1.89 -2.17 115.15 120.67 1hf9 h HIS 6 Ca 0.04 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1hf9 h HIS 6 Cb 0.32 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1hf9 h HIS 6 CO 0.00 -0.06 -0.00 1.49 0.86 0.00 0.00 177.93 180.21 1hf9 h GLU 7 N -0.78 0.00 -0.07 2.45 4.22 -1.58 -2.04 114.58 116.78 1hf9 h GLU 7 Ca -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.35 1hf9 h GLU 7 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1hf9 h GLU 7 CO 0.07 0.00 -0.14 -0.97 -2.18 0.00 0.00 179.01 175.79 1hf9 h ASN 8 N 0.00 0.25 -0.78 1.04 -0.73 -1.33 -1.35 115.58 112.67 1hf9 h ASN 8 Ca -0.00 -0.56 -0.00 0.00 1.87 0.00 0.00 56.30 57.61 1hf9 h ASN 8 Cb 0.01 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.49 1hf9 h ASN 8 CO 0.00 0.76 0.49 -0.08 -0.37 0.00 0.00 177.43 178.23 1hf9 h GLU 9 N -0.26 1.05 0.00 6.67 4.57 -0.73 -1.30 114.58 124.58 1hf9 h GLU 9 Ca 0.00 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1hf9 h GLU 9 Cb 0.72 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1hf9 h GLU 9 CO 0.03 0.73 -0.26 -0.84 -1.18 0.00 0.00 179.01 177.48 1hf9 h ILE 10 N 1.07 0.67 -0.66 2.32 3.07 -1.43 -2.43 117.51 120.12 1hf9 h ILE 10 Ca 0.28 -1.18 -0.07 0.00 1.55 0.00 0.00 64.86 65.44 1hf9 h ILE 10 Cb -0.07 1.77 -0.03 0.00 -0.27 0.00 0.00 36.82 38.22 1hf9 h ILE 10 CO -0.06 0.26 0.14 -1.28 -1.05 0.00 0.00 178.15 176.17 1hf9 h SER 11 N 0.00 1.02 0.31 2.16 0.87 -0.07 -1.09 113.55 116.76 1hf9 h SER 11 Ca -0.00 -0.24 -0.15 0.00 -1.23 0.00 0.00 61.79 60.16 1hf9 h SER 11 Cb 0.75 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1hf9 h SER 11 CO 0.03 1.00 -0.62 -0.74 -0.53 0.00 0.00 176.83 175.97 1hf9 h HIS 12 N 1.00 0.38 -0.02 2.24 -0.00 -1.19 -2.86 115.15 114.70 1hf9 h HIS 12 Ca 0.21 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.34 1hf9 h HIS 12 Cb 0.39 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1hf9 h HIS 12 CO 0.03 0.84 -0.39 0.45 -0.00 0.00 0.00 177.93 178.86 1hf9 h HIS 13 N 0.22 0.05 0.18 5.26 3.86 -1.03 -1.11 115.15 122.58 1hf9 h HIS 13 Ca -0.01 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1hf9 h HIS 13 Cb 1.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1hf9 h HIS 13 CO 0.03 0.42 -0.09 0.00 0.86 0.00 0.00 177.93 179.15 1hf9 h ALA 14 N 1.58 -0.24 0.00 2.45 0.00 -1.03 -1.51 119.26 120.50 1hf9 h ALA 14 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1hf9 h ALA 14 Cb 0.70 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1hf9 h ALA 14 CO 0.05 -0.40 -0.03 0.87 0.00 0.00 0.00 179.25 179.74 1hf9 h LYS 15 N -0.71 0.00 -0.05 0.00 1.57 -1.47 -2.19 116.57 113.72 1hf9 h LYS 15 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1hf9 h LYS 15 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1hf9 h LYS 15 CO 0.04 0.03 -0.71 0.93 -0.57 0.00 0.00 179.45 179.17 1hf9 h GLU 16 N 0.00 0.57 -0.47 3.15 4.39 -0.99 -1.60 114.58 119.63 1hf9 h GLU 16 Ca -0.00 -0.54 -0.12 0.00 0.34 0.00 0.00 59.36 59.04 1hf9 h GLU 16 Cb 0.20 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1hf9 h GLU 16 CO 0.00 1.17 -0.16 -0.84 -1.16 0.00 0.00 179.01 178.02 1hf9 h ILE 17 N 0.17 1.27 0.00 3.13 -0.00 -0.69 -1.72 117.51 119.67 1hf9 h ILE 17 Ca -0.07 -1.31 -0.08 0.00 -0.00 0.00 0.00 64.86 63.40 1hf9 h ILE 17 Cb 1.37 1.13 -0.01 0.00 -0.00 0.00 0.00 36.82 39.31 1hf9 h ILE 17 CO 0.14 0.45 -0.36 -0.33 -0.00 0.00 0.00 178.15 178.05 1hf9 h GLU 18 N 0.78 0.00 0.00 0.16 5.08 -1.49 -2.62 114.58 116.50 1hf9 h GLU 18 Ca 0.11 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 1hf9 h GLU 18 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1hf9 h GLU 18 CO 0.06 0.36 -0.92 0.00 -1.00 0.00 0.00 179.01 177.51 1hf9 h ARG 19 N 0.00 0.35 -0.20 2.33 3.08 -1.00 -2.57 114.38 116.36 1hf9 h ARG 19 Ca -0.00 -0.38 -0.16 0.00 0.07 0.00 0.00 59.98 59.51 1hf9 h ARG 19 Cb 0.81 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1hf9 h ARG 19 CO 0.05 1.06 -0.52 -0.07 -1.07 0.00 0.00 179.97 179.42 1hf9 h LEU 20 N 0.20 0.64 -0.23 3.04 -0.00 -1.15 -2.23 115.31 115.58 1hf9 h LEU 20 Ca -0.07 -0.33 -0.05 0.00 -0.00 0.00 0.00 57.88 57.44 1hf9 h LEU 20 Cb 1.55 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.02 1hf9 h LEU 20 CO 0.15 1.04 -0.04 -0.61 -0.00 0.00 0.00 178.44 178.98 1hf9 h GLN 21 N 0.45 0.43 -0.22 1.13 -0.00 -1.49 -2.40 115.11 113.02 1hf9 h GLN 21 Ca 0.02 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 1hf9 h GLN 21 Cb 1.06 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.50 1hf9 h GLN 21 CO 0.10 0.66 0.04 0.87 0.00 0.00 0.00 178.83 180.50 1hf9 h LYS 22 N 0.18 0.30 -0.07 1.69 6.56 -1.43 -2.00 116.57 121.80 1hf9 h LYS 22 Ca 0.06 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1hf9 h LYS 22 Cb 0.49 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1hf9 h LYS 22 CO 0.02 0.30 0.01 1.49 -2.06 0.00 0.00 179.45 179.20 1hf9 h GLU 23 N 0.30 0.11 0.00 3.15 4.57 -1.16 -2.49 114.58 119.07 1hf9 h GLU 23 Ca 0.07 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1hf9 h GLU 23 Cb 0.14 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1hf9 h GLU 23 CO -0.00 0.36 -0.06 0.97 -1.18 0.00 0.00 179.01 179.10 1hf9 h ILE 24 N -0.15 0.35 -0.06 2.32 2.10 -1.07 -2.06 117.51 118.94 1hf9 h ILE 24 Ca 0.02 -0.35 -0.01 0.00 1.08 0.00 0.00 64.86 65.59 1hf9 h ILE 24 Cb 0.30 1.25 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1hf9 h ILE 24 CO 0.00 0.06 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.03 1hf9 h GLU 25 N 0.00 0.12 -0.43 2.19 4.22 -0.94 0.12 114.58 119.86 1hf9 h GLU 25 Ca -0.00 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 1hf9 h GLU 25 Cb 0.25 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1hf9 h GLU 25 CO 0.01 0.48 -0.08 0.00 -2.18 0.00 0.00 179.01 177.24 1hf9 h ARG 26 N -0.26 0.75 0.00 1.92 -0.00 -1.11 -1.97 114.38 113.71 1hf9 h ARG 26 Ca 0.01 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.98 59.23 1hf9 h ARG 26 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.34 1hf9 h ARG 26 CO 0.01 0.81 -0.16 1.25 0.00 0.00 0.00 179.97 181.88 1hf9 h HIS 27 N 0.68 0.00 0.00 3.04 2.76 -1.33 -2.82 115.15 117.49 1hf9 h HIS 27 Ca 0.12 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.10 1hf9 h HIS 27 Cb 0.54 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1hf9 h HIS 27 CO 0.03 0.16 -0.87 -0.22 -1.30 0.00 0.00 177.93 175.72 1hf9 h LYS 28 N 0.00 0.17 -0.18 5.26 3.64 -0.02 -2.05 116.57 123.40 1hf9 h LYS 28 Ca -0.00 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 59.01 1hf9 h LYS 28 Cb 0.80 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1hf9 h LYS 28 CO 0.02 0.94 -0.60 0.37 -2.27 0.00 0.00 179.45 177.91 1hf9 h GLN 29 N 0.09 0.72 -0.37 1.90 5.75 -1.24 -0.81 115.11 121.15 1hf9 h GLN 29 Ca -0.04 -0.53 -0.11 0.00 -0.15 0.00 0.00 58.65 57.81 1hf9 h GLN 29 Cb 1.50 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.13 1hf9 h GLN 29 CO 0.13 1.15 -0.20 0.77 -2.65 0.00 0.00 178.83 178.03 1hf9 h SER 30 N 0.42 0.83 0.81 -0.69 0.02 -1.54 -1.49 113.55 111.92 1hf9 h SER 30 Ca -0.02 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 1hf9 h SER 30 Cb 1.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1hf9 h SER 30 CO 0.13 1.06 -0.49 -0.29 -1.14 0.00 0.00 176.83 176.09 1hf9 h ILE 31 N 0.59 1.11 0.00 3.27 6.09 -1.41 -2.65 117.51 124.52 1hf9 h ILE 31 Ca 0.08 -1.85 -0.06 0.00 -1.37 0.00 0.00 64.86 61.66 1hf9 h ILE 31 Cb 0.76 2.07 -0.01 0.00 0.47 0.00 0.00 36.82 40.11 1hf9 h ILE 31 CO 0.06 0.48 -0.29 0.11 -3.07 0.00 0.00 178.15 175.44 1hf9 h LYS 32 N 0.00 0.00 0.24 2.19 1.57 -1.02 -1.99 116.57 117.55 1hf9 h LYS 32 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1hf9 h LYS 32 Cb 1.03 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.38 1hf9 h LYS 32 CO 0.06 0.27 -1.45 0.87 -0.57 0.00 0.00 179.45 178.63 1hf9 h LYS 33 N 0.00 0.51 0.00 3.15 1.79 -1.07 -1.61 116.57 119.34 1hf9 h LYS 33 Ca -0.00 -0.86 -0.11 0.00 -2.18 0.00 0.00 60.65 57.49 1hf9 h LYS 33 Cb 1.21 0.32 -0.02 0.00 -1.58 0.00 0.00 32.23 32.17 1hf9 h LYS 33 CO 0.04 1.41 -0.62 -0.07 -1.08 0.00 0.00 179.45 179.13 1hf9 h LEU 34 N 0.09 0.00 0.00 2.94 3.38 -1.56 -2.42 115.31 117.74 1hf9 h LEU 34 Ca -0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1hf9 h LEU 34 Cb 2.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.84 1hf9 h LEU 34 CO 0.25 0.48 -1.02 0.50 0.09 0.00 0.00 178.44 178.75 1hf9 h LYS 35 N 0.00 0.00 0.09 1.13 3.64 -1.46 -2.80 116.57 117.17 1hf9 h LYS 35 Ca -0.03 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 1hf9 h LYS 35 Cb 1.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1hf9 h LYS 35 CO 0.06 0.56 -1.30 1.96 -2.27 0.00 0.00 179.45 178.46 1hf9 h GLN 36 N 0.00 0.19 0.00 1.90 4.20 -1.32 -3.05 115.11 117.03 1hf9 h GLN 36 Ca -0.08 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.14 1hf9 h GLN 36 Cb 1.61 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.49 1hf9 h GLN 36 CO 0.08 1.10 -0.73 1.03 -0.67 0.00 0.00 178.83 179.65 1hf9 h SER 37 N 0.05 0.00 0.84 1.46 0.87 -1.53 -3.14 113.55 112.11 1hf9 h SER 37 Ca -0.15 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 1hf9 h SER 37 Cb 1.95 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.89 1hf9 h SER 37 CO 0.17 0.73 -0.66 -0.08 -0.53 0.00 0.00 176.83 176.45 1hf9 h GLU 38 N 0.00 0.00 0.00 2.24 4.22 -1.57 -3.07 114.58 116.40 1hf9 h GLU 38 Ca -0.01 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.35 1hf9 h GLU 38 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1hf9 h GLU 38 CO 0.09 0.66 -0.42 0.22 -2.18 0.00 0.00 179.01 177.39 1hf9 h ASP 39 N 0.00 0.00 -3.60 1.04 1.82 -1.49 -3.49 116.42 110.70 1hf9 h ASP 39 Ca -0.01 0.00 0.22 0.00 -0.39 0.00 0.00 57.03 56.86 1hf9 h ASP 39 Cb 1.27 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.21 1hf9 h ASP 39 CO 0.09 0.42 -0.33 0.47 -1.61 0.00 0.00 179.24 178.27 1hf9 n ASP 40 N -3.65 -4.95 0.00 2.28 9.92 -1.16 -5.12 116.55 113.86 1hf9 n ASP 40 Ca -0.01 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1hf9 n ASP 40 Cb 0.51 -2.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.45 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80