#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 5.44 -0.79 0.00 1.02 -1.26 -4.97 118.68 118.12 1hf9 s LEU 2 Ca 0.00 -2.00 -0.02 0.00 0.02 0.00 0.00 54.13 52.13 1hf9 s LEU 2 Cb 0.00 -1.90 0.31 0.00 0.02 0.00 0.00 46.19 44.62 1hf9 s LEU 2 CO 0.00 -0.60 2.13 0.29 0.02 0.00 0.00 176.35 178.19 1hf9 n LYS 3 N 4.70 2.70 -0.79 1.70 4.01 -1.26 -4.61 118.16 124.60 1hf9 n LYS 3 Ca -0.04 -3.35 -0.06 0.00 -0.51 0.00 0.00 58.31 54.34 1hf9 n LYS 3 Cb 0.41 -2.25 0.22 0.00 -0.51 0.00 0.00 35.03 32.90 1hf9 n LYS 3 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1hf9 n LYS 4 N -0.35 2.91 0.01 1.97 2.85 -1.26 -4.15 118.16 120.14 1hf9 n LYS 4 Ca 0.53 -2.29 -0.14 0.00 -1.05 0.00 0.00 58.31 55.37 1hf9 n LYS 4 Cb 0.28 -1.97 -0.14 0.00 -0.65 0.00 0.00 35.03 32.54 1hf9 n LYS 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1hf9 h HIS 5 N 1.85 0.22 -0.78 5.58 -0.00 -2.02 -3.35 115.15 116.65 1hf9 h HIS 5 Ca 0.24 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 1hf9 h HIS 5 Cb 2.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 29.37 1hf9 h HIS 5 CO 1.00 1.29 0.33 0.45 -0.00 0.00 0.00 177.93 181.01 1hf9 h HIS 6 N 0.03 1.17 0.00 2.45 3.86 -1.98 -1.49 115.15 119.19 1hf9 h HIS 6 Ca -0.30 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 58.82 1hf9 h HIS 6 Cb 2.01 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 1hf9 h HIS 6 CO 0.03 0.87 -0.05 0.93 0.86 0.00 0.00 177.93 180.58 1hf9 h GLU 7 N 1.13 0.00 0.21 2.45 5.08 -1.84 0.16 114.58 121.77 1hf9 h GLU 7 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1hf9 h GLU 7 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1hf9 h GLU 7 CO -0.03 0.05 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.02 1hf9 h ASN 8 N 0.00 -0.24 0.41 1.42 4.21 -1.41 -1.76 115.58 118.21 1hf9 h ASN 8 Ca -0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1hf9 h ASN 8 Cb 0.22 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1hf9 h ASN 8 CO 0.01 0.22 0.00 1.21 -1.29 0.00 0.00 177.43 177.57 1hf9 n GLU 9 N -4.96 0.16 0.06 0.81 4.07 -1.04 -2.11 120.64 117.63 1hf9 n GLU 9 Ca -0.04 0.50 -0.21 0.00 -0.06 0.00 0.00 57.16 57.35 1hf9 n GLU 9 Cb 0.11 -1.88 -0.15 0.00 -0.06 0.00 0.00 31.44 29.47 1hf9 n GLU 9 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1hf9 h ILE 10 N 0.00 1.33 0.00 6.31 2.04 -0.71 -2.72 117.51 123.76 1hf9 h ILE 10 Ca 0.00 -2.53 -0.06 0.00 1.00 0.00 0.00 64.86 63.27 1hf9 h ILE 10 Cb 0.21 3.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 1hf9 h ILE 10 CO 0.00 0.74 -0.28 -1.28 0.00 0.00 0.00 178.15 177.33 1hf9 h SER 11 N -0.24 0.00 -0.04 1.72 0.87 -0.76 -2.16 113.55 112.94 1hf9 h SER 11 Ca -0.21 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 1hf9 h SER 11 Cb 1.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1hf9 h SER 11 CO 0.15 0.28 -0.13 -0.74 -0.53 0.00 0.00 176.83 175.87 1hf9 h HIS 12 N 0.00 0.20 -0.01 2.24 -0.00 -1.53 -2.80 115.15 113.25 1hf9 h HIS 12 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1hf9 h HIS 12 Cb 0.52 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1hf9 h HIS 12 CO 0.00 0.75 0.01 0.45 -0.00 0.00 0.00 177.93 179.14 1hf9 h HIS 13 N -0.40 0.00 0.38 5.26 -0.00 -1.28 0.28 115.15 119.39 1hf9 h HIS 13 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1hf9 h HIS 13 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1hf9 h HIS 13 CO 0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 177.93 177.88 1hf9 h ALA 14 N 1.99 -0.51 0.00 2.45 0.00 -1.32 -1.24 119.26 120.63 1hf9 h ALA 14 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1hf9 h ALA 14 Cb 0.02 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1hf9 h ALA 14 CO -0.00 -0.61 0.00 0.36 0.00 0.00 0.00 179.25 179.00 1hf9 n LYS 15 N -5.17 0.15 0.07 0.00 -0.00 -1.00 -2.31 118.16 109.90 1hf9 n LYS 15 Ca -0.10 0.44 -0.16 0.00 -0.00 0.00 0.00 58.31 58.49 1hf9 n LYS 15 Cb 0.28 -1.82 -0.14 0.00 -0.00 0.00 0.00 35.03 33.35 1hf9 n LYS 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1hf9 h GLU 16 N 0.00 0.24 0.01 -1.58 4.39 -0.69 -1.73 114.58 115.22 1hf9 h GLU 16 Ca 0.00 -0.42 -0.22 0.00 0.34 0.00 0.00 59.36 59.06 1hf9 h GLU 16 Cb 0.27 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1hf9 h GLU 16 CO 0.00 1.12 -0.94 0.97 -1.16 0.00 0.00 179.01 179.00 1hf9 h ILE 17 N 0.07 1.43 0.09 3.13 -0.00 -0.81 -0.62 117.51 120.79 1hf9 h ILE 17 Ca -0.21 -2.53 -0.29 0.00 -0.00 0.00 0.00 64.86 61.84 1hf9 h ILE 17 Cb 2.00 2.46 0.02 0.00 -0.00 0.00 0.00 36.82 41.30 1hf9 h ILE 17 CO 0.17 0.75 -1.18 -0.08 -0.00 0.00 0.00 178.15 177.80 1hf9 h GLU 18 N 0.19 0.60 0.00 2.19 4.81 -1.59 -2.63 114.58 118.16 1hf9 h GLU 18 Ca -0.07 -0.77 -0.11 0.00 -0.13 0.00 0.00 59.36 58.29 1hf9 h GLU 18 Cb 1.58 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 1hf9 h GLU 18 CO 0.16 1.34 -0.50 0.00 -0.73 0.00 0.00 179.01 179.27 1hf9 h ARG 19 N 0.28 0.00 -0.20 1.92 2.47 -1.36 -2.78 114.38 114.71 1hf9 h ARG 19 Ca -0.17 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.36 1hf9 h ARG 19 Cb 1.85 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.18 1hf9 h ARG 19 CO 0.22 0.50 -0.62 -0.07 0.56 0.00 0.00 179.97 180.57 1hf9 h LEU 20 N 0.00 0.89 -0.22 3.04 4.07 -1.13 -2.11 115.31 119.85 1hf9 h LEU 20 Ca -0.01 -0.59 -0.00 0.00 0.08 0.00 0.00 57.88 57.36 1hf9 h LEU 20 Cb 1.06 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1hf9 h LEU 20 CO 0.07 1.32 0.12 -0.61 -1.08 0.00 0.00 178.44 178.25 1hf9 h GLN 21 N 0.50 0.31 -0.15 1.13 4.15 -1.39 -1.50 115.11 118.16 1hf9 h GLN 21 Ca -0.02 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1hf9 h GLN 21 Cb 1.24 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1hf9 h GLN 21 CO 0.13 0.29 -0.10 -0.22 -1.93 0.00 0.00 178.83 177.01 1hf9 h LYS 22 N 0.24 0.22 -0.25 1.69 3.64 -1.52 -2.22 116.57 118.38 1hf9 h LYS 22 Ca 0.08 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1hf9 h LYS 22 Cb 0.07 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1hf9 h LYS 22 CO -0.01 0.33 -0.35 1.49 -2.27 0.00 0.00 179.45 178.64 1hf9 h GLU 23 N 0.21 0.54 -0.48 1.90 4.22 -0.84 -2.66 114.58 117.47 1hf9 h GLU 23 Ca 0.05 -0.25 -0.09 0.00 0.08 0.00 0.00 59.36 59.15 1hf9 h GLU 23 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1hf9 h GLU 23 CO 0.02 0.81 -0.05 -0.84 -2.18 0.00 0.00 179.01 176.77 1hf9 h ILE 24 N 0.46 1.27 -0.63 2.32 -0.00 -0.68 -2.75 117.51 117.50 1hf9 h ILE 24 Ca 0.05 -1.15 0.02 0.00 -0.00 0.00 0.00 64.86 63.78 1hf9 h ILE 24 Cb 0.82 1.04 -0.03 0.00 -0.00 0.00 0.00 36.82 38.64 1hf9 h ILE 24 CO 0.07 0.40 0.40 -0.08 -0.00 0.00 0.00 178.15 178.94 1hf9 h GLU 25 N 0.73 0.79 -0.29 0.16 4.81 -1.35 -1.54 114.58 117.89 1hf9 h GLU 25 Ca 0.13 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1hf9 h GLU 25 Cb 0.58 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1hf9 h GLU 25 CO 0.03 0.52 0.02 -0.09 -0.73 0.00 0.00 179.01 178.76 1hf9 h ARG 26 N 0.81 0.10 0.00 1.92 2.43 -1.32 0.44 114.38 118.76 1hf9 h ARG 26 Ca 0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1hf9 h ARG 26 Cb -0.05 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1hf9 h ARG 26 CO -0.07 0.07 -0.07 0.45 -1.51 0.00 0.00 179.97 178.84 1hf9 h HIS 27 N 0.11 0.00 -0.04 2.20 3.86 -1.16 -1.51 115.15 118.60 1hf9 h HIS 27 Ca 0.14 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1hf9 h HIS 27 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1hf9 h HIS 27 CO -0.20 0.07 -0.73 -0.22 0.86 0.00 0.00 177.93 177.70 1hf9 h LYS 28 N 0.00 0.27 -0.05 2.45 3.64 0.06 -2.15 116.57 120.79 1hf9 h LYS 28 Ca -0.00 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 58.99 1hf9 h LYS 28 Cb 0.17 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1hf9 h LYS 28 CO 0.01 0.89 -0.69 0.37 -2.27 0.00 0.00 179.45 177.75 1hf9 h GLN 29 N 0.18 0.24 -0.05 1.90 5.75 -0.23 -0.82 115.11 122.07 1hf9 h GLN 29 Ca -0.03 -0.19 -0.24 0.00 -0.15 0.00 0.00 58.65 58.05 1hf9 h GLN 29 Cb 1.30 0.04 0.02 0.00 1.07 0.00 0.00 27.48 29.91 1hf9 h GLN 29 CO 0.12 0.84 -0.90 0.77 -2.65 0.00 0.00 178.83 177.00 1hf9 h SER 30 N 0.16 0.87 1.30 -0.69 0.02 -1.41 -1.72 113.55 112.09 1hf9 h SER 30 Ca -0.02 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.14 1hf9 h SER 30 Cb 1.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1hf9 h SER 30 CO 0.11 1.46 -0.38 -0.29 -1.14 0.00 0.00 176.83 176.58 1hf9 h ILE 31 N 0.37 0.73 0.05 3.27 -0.00 -1.41 -2.09 117.51 118.43 1hf9 h ILE 31 Ca -0.10 -1.78 -0.24 0.00 -0.00 0.00 0.00 64.86 62.74 1hf9 h ILE 31 Cb 1.55 2.17 -0.02 0.00 -0.00 0.00 0.00 36.82 40.52 1hf9 h ILE 31 CO 0.18 0.38 -1.16 0.11 -0.00 0.00 0.00 178.15 177.66 1hf9 h LYS 32 N 0.00 0.10 0.03 2.19 1.79 -1.16 -2.34 116.57 117.18 1hf9 h LYS 32 Ca -0.00 -0.17 -0.22 0.00 -2.18 0.00 0.00 60.65 58.08 1hf9 h LYS 32 Cb 1.14 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1hf9 h LYS 32 CO 0.05 1.04 -1.01 -0.22 -1.08 0.00 0.00 179.45 178.23 1hf9 h LYS 33 N 0.03 0.10 0.04 3.15 3.64 -1.28 -2.33 116.57 119.92 1hf9 h LYS 33 Ca -0.08 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 58.92 1hf9 h LYS 33 Cb 1.86 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1hf9 h LYS 33 CO 0.15 1.02 -1.02 -0.07 -2.27 0.00 0.00 179.45 177.27 1hf9 h LEU 34 N 0.04 0.35 -0.32 5.20 3.38 -1.45 -1.48 115.31 121.02 1hf9 h LEU 34 Ca -0.04 -0.32 -0.20 0.00 0.09 0.00 0.00 57.88 57.41 1hf9 h LEU 34 Cb 1.73 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1hf9 h LEU 34 CO 0.15 1.17 -0.83 0.50 0.09 0.00 0.00 178.44 179.51 1hf9 h LYS 35 N 0.12 0.29 0.00 1.13 3.64 -1.47 -1.55 116.57 118.73 1hf9 h LYS 35 Ca -0.08 -0.29 -0.14 0.00 -1.27 0.00 0.00 60.65 58.88 1hf9 h LYS 35 Cb 1.69 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.56 1hf9 h LYS 35 CO 0.16 0.97 -0.70 1.96 -2.27 0.00 0.00 179.45 179.58 1hf9 h GLN 36 N 0.18 0.00 0.00 1.90 1.08 -1.46 -3.02 115.11 113.79 1hf9 h GLN 36 Ca -0.05 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 1hf9 h GLN 36 Cb 1.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.85 1hf9 h GLN 36 CO 0.13 0.61 -0.88 0.77 -0.95 0.00 0.00 178.83 178.51 1hf9 h SER 37 N 0.00 0.00 1.34 1.46 0.02 -1.24 -3.25 113.55 111.88 1hf9 h SER 37 Ca -0.02 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1hf9 h SER 37 Cb 1.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.02 1hf9 h SER 37 CO 0.08 0.68 -0.53 -0.08 -1.14 0.00 0.00 176.83 175.84 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.22 -1.31 -2.70 114.58 118.23 1hf9 h GLU 38 Ca -0.05 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 1hf9 h GLU 38 Cb 1.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1hf9 h GLU 38 CO 0.08 0.53 -0.45 0.22 -2.18 0.00 0.00 179.01 177.21 1hf9 h ASP 39 N 0.00 0.00 -0.86 1.04 1.82 -1.57 -3.42 116.42 113.43 1hf9 h ASP 39 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1hf9 h ASP 39 Cb 1.34 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.16 1hf9 h ASP 39 CO 0.07 0.45 -0.37 1.51 -1.61 0.00 0.00 179.24 179.29 1hf9 s ASP 40 N -6.45 -1.33 0.00 2.28 -4.77 -1.20 -5.12 116.67 100.08 1hf9 s ASP 40 Ca 0.02 -0.52 0.00 0.00 -3.30 0.00 0.00 52.55 48.75 1hf9 s ASP 40 Cb 0.10 1.72 0.00 0.00 -1.09 0.00 0.00 42.92 43.65 1hf9 s ASP 40 CO 0.71 -0.17 0.29 0.47 0.70 0.00 0.00 175.17 177.18