#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 4.42 -1.35 0.00 2.96 -1.26 -4.25 118.68 119.19 1hf9 s LEU 2 Ca 0.00 0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1hf9 s LEU 2 Cb 0.00 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1hf9 s LEU 2 CO 0.00 0.37 0.22 0.29 -1.32 0.00 0.00 176.35 175.91 1hf9 n LYS 3 N 1.97 -2.89 -0.19 1.98 4.01 -1.26 -4.84 118.16 116.93 1hf9 n LYS 3 Ca -0.18 0.72 -0.01 0.00 -0.51 0.00 0.00 58.31 58.34 1hf9 n LYS 3 Cb 0.54 -5.41 0.22 0.00 -0.51 0.00 0.00 35.03 29.87 1hf9 n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1hf9 h LYS 4 N -0.48 0.95 -0.44 1.97 3.11 -2.01 -2.60 116.57 117.08 1hf9 h LYS 4 Ca -0.41 -0.10 0.05 0.00 -2.81 0.00 0.00 60.65 57.38 1hf9 h LYS 4 Cb 1.29 -0.19 -0.05 0.00 -1.00 0.00 0.00 32.23 32.28 1hf9 h LYS 4 CO 0.48 0.70 0.17 1.12 -2.81 0.00 0.00 179.45 179.10 1hf9 h HIS 5 N 0.96 0.30 -0.29 1.91 2.07 -1.93 -1.92 115.15 116.25 1hf9 h HIS 5 Ca 0.25 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 1hf9 h HIS 5 Cb 0.02 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 29.92 1hf9 h HIS 5 CO 0.01 0.12 0.18 0.45 -3.07 0.00 0.00 177.93 175.62 1hf9 h HIS 6 N 0.35 0.37 -0.14 6.12 3.86 -1.86 -1.40 115.15 122.44 1hf9 h HIS 6 Ca 0.21 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1hf9 h HIS 6 Cb 0.19 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1hf9 h HIS 6 CO -0.15 0.25 0.17 1.49 0.86 0.00 0.00 177.93 180.55 1hf9 h GLU 7 N 0.38 0.00 0.36 2.45 4.81 -1.16 -1.13 114.58 120.28 1hf9 h GLU 7 Ca 0.10 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1hf9 h GLU 7 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1hf9 h GLU 7 CO -0.02 0.00 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.18 1hf9 h ASN 8 N 0.00 -0.41 -0.04 1.04 4.21 -0.50 -2.40 115.58 117.48 1hf9 h ASN 8 Ca 0.07 -0.07 0.01 0.00 1.21 0.00 0.00 56.30 57.51 1hf9 h ASN 8 Cb 0.40 0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1hf9 h ASN 8 CO -0.00 0.04 0.11 -0.08 -1.29 0.00 0.00 177.43 176.21 1hf9 h GLU 9 N -1.07 0.00 0.02 0.81 4.57 -1.10 -1.75 114.58 116.06 1hf9 h GLU 9 Ca -0.05 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1hf9 h GLU 9 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1hf9 h GLU 9 CO 0.08 0.00 -0.01 0.82 -1.18 0.00 0.00 179.01 178.72 1hf9 h ILE 10 N 0.00 1.44 0.00 2.32 2.04 -1.16 -2.54 117.51 119.62 1hf9 h ILE 10 Ca 0.02 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 1hf9 h ILE 10 Cb 0.24 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1hf9 h ILE 10 CO -0.00 0.38 -0.11 0.28 0.00 0.00 0.00 178.15 178.69 1hf9 h SER 11 N -0.68 0.00 -0.11 1.72 0.02 -0.81 -1.92 113.55 111.77 1hf9 h SER 11 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1hf9 h SER 11 Cb 0.64 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1hf9 h SER 11 CO 0.00 0.11 -0.17 -0.74 -1.14 0.00 0.00 176.83 174.90 1hf9 h HIS 12 N 0.00 0.38 0.00 3.45 -0.00 -1.41 -2.73 115.15 114.85 1hf9 h HIS 12 Ca -0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.37 60.22 1hf9 h HIS 12 Cb 0.21 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1hf9 h HIS 12 CO 0.00 0.77 -0.11 0.45 -0.00 0.00 0.00 177.93 179.04 1hf9 h HIS 13 N -0.12 0.00 0.15 5.26 -0.00 -1.05 -1.93 115.15 117.46 1hf9 h HIS 13 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1hf9 h HIS 13 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1hf9 h HIS 13 CO 0.10 0.11 -0.07 0.00 -0.00 0.00 0.00 177.93 178.07 1hf9 h ALA 14 N 1.89 -0.19 0.00 2.45 0.00 -1.18 -1.74 119.26 120.48 1hf9 h ALA 14 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hf9 h ALA 14 Cb 0.25 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hf9 h ALA 14 CO 0.01 -0.46 -0.03 -0.22 0.00 0.00 0.00 179.25 178.55 1hf9 h LYS 15 N -0.49 0.00 -0.08 0.00 3.64 -1.18 -2.22 116.57 116.25 1hf9 h LYS 15 Ca -0.02 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1hf9 h LYS 15 Cb 0.38 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1hf9 h LYS 15 CO 0.03 0.03 -0.61 0.93 -2.27 0.00 0.00 179.45 177.57 1hf9 h GLU 16 N 0.00 0.55 -0.24 1.90 4.39 -0.99 -1.04 114.58 119.15 1hf9 h GLU 16 Ca -0.00 -0.49 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 1hf9 h GLU 16 Cb 0.30 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1hf9 h GLU 16 CO 0.00 1.12 -0.55 0.97 -1.16 0.00 0.00 179.01 179.39 1hf9 h ILE 17 N 0.15 1.30 0.00 3.13 2.10 -0.97 -2.06 117.51 121.15 1hf9 h ILE 17 Ca -0.05 -1.77 -0.12 0.00 1.08 0.00 0.00 64.86 63.99 1hf9 h ILE 17 Cb 1.27 1.70 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 1hf9 h ILE 17 CO 0.12 0.56 -0.58 -0.33 -1.08 0.00 0.00 178.15 176.85 1hf9 h GLU 18 N 0.55 0.00 -0.19 2.19 5.08 -1.47 -2.22 114.58 118.52 1hf9 h GLU 18 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1hf9 h GLU 18 Cb 1.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1hf9 h GLU 18 CO 0.11 0.58 -0.61 -0.09 -1.00 0.00 0.00 179.01 178.01 1hf9 h ARG 19 N 0.00 0.74 0.00 2.33 2.43 -1.06 -2.37 114.38 116.45 1hf9 h ARG 19 Ca -0.01 -0.55 -0.08 0.00 -0.81 0.00 0.00 59.98 58.54 1hf9 h ARG 19 Cb 1.04 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1hf9 h ARG 19 CO 0.08 1.17 -0.37 -0.07 -1.51 0.00 0.00 179.97 179.26 1hf9 h LEU 20 N 0.46 0.00 -0.30 3.80 -0.00 -1.33 -2.38 115.31 115.56 1hf9 h LEU 20 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.66 1hf9 h LEU 20 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1hf9 h LEU 20 CO 0.13 0.37 -0.83 -0.61 -0.00 0.00 0.00 178.44 177.49 1hf9 h GLN 21 N 0.00 0.36 -0.04 1.13 4.15 -1.33 -2.30 115.11 117.09 1hf9 h GLN 21 Ca -0.00 -0.35 -0.15 0.00 0.77 0.00 0.00 58.65 58.92 1hf9 h GLN 21 Cb 0.88 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1hf9 h GLN 21 CO 0.05 1.01 -0.63 -0.22 -1.93 0.00 0.00 178.83 177.11 1hf9 h LYS 22 N 0.23 0.15 -0.02 1.69 3.11 -1.25 -2.10 116.57 118.38 1hf9 h LYS 22 Ca -0.05 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.67 1hf9 h LYS 22 Cb 1.44 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.69 1hf9 h LYS 22 CO 0.14 0.73 -0.03 0.93 -2.81 0.00 0.00 179.45 178.42 1hf9 h GLU 23 N 0.11 0.06 0.00 1.90 4.39 -1.37 -2.69 114.58 116.99 1hf9 h GLU 23 Ca -0.01 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1hf9 h GLU 23 Cb 1.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1hf9 h GLU 23 CO 0.09 0.55 -0.17 0.97 -1.16 0.00 0.00 179.01 179.29 1hf9 h ILE 24 N -0.42 0.79 -0.12 3.13 2.10 -1.44 -2.09 117.51 119.46 1hf9 h ILE 24 Ca 0.00 -0.66 -0.01 0.00 1.08 0.00 0.00 64.86 65.27 1hf9 h ILE 24 Cb 0.54 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 1hf9 h ILE 24 CO 0.01 0.16 0.03 -0.08 -1.08 0.00 0.00 178.15 177.19 1hf9 h GLU 25 N 0.00 0.20 -0.57 2.19 4.81 -1.25 0.98 114.58 120.93 1hf9 h GLU 25 Ca -0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1hf9 h GLU 25 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1hf9 h GLU 25 CO 0.02 0.36 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.55 1hf9 h ARG 26 N -0.00 1.01 0.00 1.92 2.43 -1.14 -2.35 114.38 116.24 1hf9 h ARG 26 Ca 0.04 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1hf9 h ARG 26 Cb 0.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1hf9 h ARG 26 CO 0.00 1.00 0.00 0.45 -1.51 0.00 0.00 179.97 179.91 1hf9 h HIS 27 N 0.92 0.00 0.14 2.20 3.86 -1.27 -2.41 115.15 118.59 1hf9 h HIS 27 Ca 0.16 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.09 1hf9 h HIS 27 Cb 0.56 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.05 1hf9 h HIS 27 CO 0.04 0.00 -1.25 -0.22 0.86 0.00 0.00 177.93 177.36 1hf9 h LYS 28 N 0.00 0.38 0.00 2.45 3.11 -0.30 -2.01 116.57 120.21 1hf9 h LYS 28 Ca 0.00 -0.59 -0.14 0.00 -2.81 0.00 0.00 60.65 57.11 1hf9 h LYS 28 Cb 0.61 0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 32.03 1hf9 h LYS 28 CO 0.00 1.26 -0.68 0.37 -2.81 0.00 0.00 179.45 177.60 1hf9 h GLN 29 N 0.13 0.00 0.11 1.90 4.15 -1.30 -1.01 115.11 119.08 1hf9 h GLN 29 Ca -0.16 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.01 1hf9 h GLN 29 Cb 1.95 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.67 1hf9 h GLN 29 CO 0.22 0.68 -1.04 1.03 -1.93 0.00 0.00 178.83 177.78 1hf9 h SER 30 N 0.00 0.73 1.02 -0.69 0.87 -1.48 -1.19 113.55 112.81 1hf9 h SER 30 Ca -0.01 -0.84 -0.12 0.00 -1.23 0.00 0.00 61.79 59.60 1hf9 h SER 30 Cb 1.30 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1hf9 h SER 30 CO 0.09 1.50 -0.56 -0.29 -0.53 0.00 0.00 176.83 177.04 1hf9 h ILE 31 N 0.06 1.11 0.05 2.23 6.09 -1.40 -1.66 117.51 124.00 1hf9 h ILE 31 Ca -0.16 -2.14 -0.26 0.00 -1.37 0.00 0.00 64.86 60.93 1hf9 h ILE 31 Cb 1.75 2.26 -0.02 0.00 0.47 0.00 0.00 36.82 41.28 1hf9 h ILE 31 CO 0.20 0.55 -1.27 0.50 -3.07 0.00 0.00 178.15 175.05 1hf9 h LYS 32 N 0.00 0.12 0.01 2.19 3.64 -1.25 -2.61 116.57 118.68 1hf9 h LYS 32 Ca -0.01 -0.20 -0.20 0.00 -1.27 0.00 0.00 60.65 58.97 1hf9 h LYS 32 Cb 1.22 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1hf9 h LYS 32 CO 0.07 1.00 -0.92 -0.22 -2.27 0.00 0.00 179.45 177.12 1hf9 h LYS 33 N 0.03 0.16 -0.10 1.90 3.64 -1.19 -2.18 116.57 118.83 1hf9 h LYS 33 Ca -0.13 -0.19 -0.23 0.00 -1.27 0.00 0.00 60.65 58.83 1hf9 h LYS 33 Cb 1.90 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.80 1hf9 h LYS 33 CO 0.15 0.97 -0.84 1.25 -2.27 0.00 0.00 179.45 178.71 1hf9 h LEU 34 N 0.08 0.91 -0.71 5.20 6.46 -1.38 -1.81 115.31 124.07 1hf9 h LEU 34 Ca -0.04 -0.66 -0.13 0.00 -0.12 0.00 0.00 57.88 56.93 1hf9 h LEU 34 Cb 1.57 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1hf9 h LEU 34 CO 0.14 1.44 -0.36 0.50 -0.62 0.00 0.00 178.44 179.54 1hf9 h LYS 35 N 0.46 0.58 0.00 1.25 3.11 -1.51 -2.75 116.57 117.72 1hf9 h LYS 35 Ca -0.08 -0.28 -0.11 0.00 -2.81 0.00 0.00 60.65 57.37 1hf9 h LYS 35 Cb 1.48 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.69 1hf9 h LYS 35 CO 0.17 0.86 -0.54 0.37 -2.81 0.00 0.00 179.45 177.50 1hf9 h GLN 36 N 0.49 0.00 0.00 1.90 4.15 -1.40 -2.93 115.11 117.32 1hf9 h GLN 36 Ca 0.05 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 1hf9 h GLN 36 Cb 0.85 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1hf9 h GLN 36 CO 0.07 0.54 -0.38 0.77 -1.93 0.00 0.00 178.83 177.90 1hf9 h SER 37 N 0.00 0.00 -0.07 -0.69 0.02 -1.03 -2.58 113.55 109.19 1hf9 h SER 37 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1hf9 h SER 37 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1hf9 h SER 37 CO 0.07 0.38 0.00 -0.08 -1.14 0.00 0.00 176.83 176.07 1hf9 h GLU 38 N 0.00 0.21 0.00 3.45 4.22 -1.32 -1.12 114.58 120.02 1hf9 h GLU 38 Ca -0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.35 1hf9 h GLU 38 Cb 0.69 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1hf9 h GLU 38 CO 0.05 0.23 -0.30 0.22 -2.18 0.00 0.00 179.01 177.03 1hf9 h ASP 39 N 0.21 0.00 -3.81 1.04 3.58 -1.57 -3.49 116.42 112.38 1hf9 h ASP 39 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1hf9 h ASP 39 Cb 0.14 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1hf9 h ASP 39 CO 0.00 0.30 -0.48 -0.67 -2.88 0.00 0.00 179.24 175.51 1hf9 n ASP 40 N -3.45 -5.29 0.00 2.28 -0.08 -0.42 -5.17 116.55 104.42 1hf9 n ASP 40 Ca 0.00 0.86 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 1hf9 n ASP 40 Cb 0.47 -2.97 0.00 0.00 2.34 0.00 0.00 41.12 40.96 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65