#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 2.64 0.00 0.00 2.34 -1.26 -4.97 118.68 117.44 1hf9 s LEU 2 Ca 0.00 -1.62 0.00 0.00 0.06 0.00 0.00 54.13 52.57 1hf9 s LEU 2 Cb 0.00 -1.01 0.00 0.00 -0.56 0.00 0.00 46.19 44.62 1hf9 s LEU 2 CO 0.00 -0.38 0.00 1.17 -1.06 0.00 0.00 176.35 176.08 1hf9 n LYS 3 N 4.74 0.00 -1.12 1.48 3.00 -1.26 -5.02 118.16 119.99 1hf9 n LYS 3 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.24 1hf9 n LYS 3 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.44 1hf9 n LYS 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1hf9 n LYS 4 N -1.54 -1.15 -0.05 1.64 5.02 -1.26 -4.84 118.16 115.99 1hf9 n LYS 4 Ca 0.00 0.52 -0.14 0.00 -2.02 0.00 0.00 58.31 56.67 1hf9 n LYS 4 Cb 0.00 -4.49 -0.14 0.00 -0.02 0.00 0.00 35.03 30.37 1hf9 n LYS 4 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1hf9 n HIS 5 N -2.45 0.68 0.24 2.13 1.44 -1.26 -4.02 115.22 111.98 1hf9 n HIS 5 Ca -0.04 0.19 0.10 0.00 -2.01 0.00 0.00 57.72 55.96 1hf9 n HIS 5 Cb 0.35 -1.11 0.63 0.00 0.12 0.00 0.00 29.99 29.98 1hf9 n HIS 5 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1hf9 h HIS 6 N 0.02 0.00 -0.29 -1.40 3.86 -2.01 -2.42 115.15 112.91 1hf9 h HIS 6 Ca -0.43 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.59 1hf9 h HIS 6 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 1hf9 h HIS 6 CO 0.03 0.17 -0.55 1.49 0.86 0.00 0.00 177.93 179.93 1hf9 h GLU 7 N 0.00 0.89 -0.34 2.45 4.22 -1.97 -2.29 114.58 117.53 1hf9 h GLU 7 Ca -0.00 -0.56 -0.01 0.00 0.08 0.00 0.00 59.36 58.86 1hf9 h GLU 7 Cb 0.39 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1hf9 h GLU 7 CO 0.02 1.20 0.16 -0.91 -2.18 0.00 0.00 179.01 177.30 1hf9 h ASN 8 N 0.68 0.44 -0.12 1.04 2.35 -1.58 0.28 115.58 118.67 1hf9 h ASN 8 Ca 0.02 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1hf9 h ASN 8 Cb 1.16 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1hf9 h ASN 8 CO 0.12 0.45 0.07 -0.33 -1.65 0.00 0.00 177.43 176.09 1hf9 h GLU 9 N 0.41 0.14 0.00 0.81 3.07 -1.49 -0.40 114.58 117.13 1hf9 h GLU 9 Ca 0.12 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1hf9 h GLU 9 Cb 0.12 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1hf9 h GLU 9 CO -0.01 0.10 0.00 0.44 -1.40 0.00 0.00 179.01 178.13 1hf9 n ILE 10 N -5.02 0.83 -0.13 3.13 -5.35 -0.87 -2.21 119.36 109.75 1hf9 n ILE 10 Ca -0.05 0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.51 1hf9 n ILE 10 Cb 0.04 -1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 36.83 1hf9 n ILE 10 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1hf9 h SER 11 N 0.00 0.87 -0.22 7.28 4.64 0.13 -0.30 113.55 125.94 1hf9 h SER 11 Ca 0.00 -0.42 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 1hf9 h SER 11 Cb 0.37 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1hf9 h SER 11 CO 0.00 1.10 -0.15 -0.74 -0.87 0.00 0.00 176.83 176.17 1hf9 h HIS 12 N 0.64 0.58 0.00 4.77 -0.00 -1.03 -2.68 115.15 117.43 1hf9 h HIS 12 Ca 0.08 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1hf9 h HIS 12 Cb 0.79 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1hf9 h HIS 12 CO 0.06 0.80 -0.02 0.45 -0.00 0.00 0.00 177.93 179.22 1hf9 h HIS 13 N 0.20 0.00 -0.13 5.26 3.86 -1.39 -1.47 115.15 121.48 1hf9 h HIS 13 Ca 0.05 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1hf9 h HIS 13 Cb 0.67 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 1hf9 h HIS 13 CO 0.07 0.02 -0.02 0.00 0.86 0.00 0.00 177.93 178.86 1hf9 h ALA 14 N 1.98 0.17 0.00 2.45 0.00 -0.72 -1.93 119.26 121.21 1hf9 h ALA 14 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hf9 h ALA 14 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hf9 h ALA 14 CO 0.00 -0.10 0.00 0.87 0.00 0.00 0.00 179.25 180.03 1hf9 h LYS 15 N -0.06 0.00 0.02 0.00 1.57 -1.09 -1.86 116.57 115.15 1hf9 h LYS 15 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1hf9 h LYS 15 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1hf9 h LYS 15 CO 0.01 0.00 -0.26 0.93 -0.57 0.00 0.00 179.45 179.56 1hf9 h GLU 16 N 0.00 0.15 0.00 3.15 4.39 -0.74 -0.76 114.58 120.77 1hf9 h GLU 16 Ca 0.00 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 1hf9 h GLU 16 Cb 0.34 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1hf9 h GLU 16 CO 0.00 0.97 -0.56 0.97 -1.16 0.00 0.00 179.01 179.23 1hf9 h ILE 17 N -0.60 1.22 0.05 3.13 2.10 -1.22 -2.24 117.51 119.96 1hf9 h ILE 17 Ca -0.04 -2.06 -0.23 0.00 1.08 0.00 0.00 64.86 63.61 1hf9 h ILE 17 Cb 1.08 2.17 -0.01 0.00 -1.09 0.00 0.00 36.82 38.96 1hf9 h ILE 17 CO 0.05 0.55 -1.07 -0.08 -1.08 0.00 0.00 178.15 176.53 1hf9 h GLU 18 N 0.00 0.13 -0.19 2.19 4.22 -1.43 -2.50 114.58 117.00 1hf9 h GLU 18 Ca -0.01 -0.20 -0.08 0.00 0.08 0.00 0.00 59.36 59.15 1hf9 h GLU 18 Cb 1.13 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1hf9 h GLU 18 CO 0.07 1.07 -0.21 -0.09 -2.18 0.00 0.00 179.01 177.68 1hf9 h ARG 19 N 0.04 0.47 -0.51 1.92 2.43 -1.02 -2.19 114.38 115.52 1hf9 h ARG 19 Ca -0.06 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 1hf9 h ARG 19 Cb 1.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.34 1hf9 h ARG 19 CO 0.16 0.83 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.34 1hf9 h LEU 20 N 0.13 0.88 -1.39 3.80 3.38 -1.49 -2.47 115.31 118.15 1hf9 h LEU 20 Ca 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1hf9 h LEU 20 Cb 0.76 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1hf9 h LEU 20 CO 0.05 0.96 0.11 -0.61 0.09 0.00 0.00 178.44 179.05 1hf9 h GLN 21 N 0.82 0.53 0.05 1.13 4.15 -1.39 -2.11 115.11 118.28 1hf9 h GLN 21 Ca 0.15 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1hf9 h GLN 21 Cb 0.55 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1hf9 h GLN 21 CO 0.03 0.47 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.15 1hf9 h LYS 22 N 0.52 -0.07 -0.77 1.69 3.64 -0.93 -1.39 116.57 119.26 1hf9 h LYS 22 Ca 0.13 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1hf9 h LYS 22 Cb 0.16 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1hf9 h LYS 22 CO -0.01 0.14 0.45 1.49 -2.27 0.00 0.00 179.45 179.25 1hf9 h GLU 23 N -0.26 0.79 -0.00 1.90 4.57 -1.24 0.39 114.58 120.72 1hf9 h GLU 23 Ca -0.01 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1hf9 h GLU 23 Cb 0.24 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1hf9 h GLU 23 CO 0.01 0.52 -0.21 -0.84 -1.18 0.00 0.00 179.01 177.32 1hf9 h ILE 24 N 0.82 1.15 -0.35 2.32 -0.00 -1.23 -2.43 117.51 117.78 1hf9 h ILE 24 Ca 0.35 -0.72 -0.00 0.00 -0.00 0.00 0.00 64.86 64.49 1hf9 h ILE 24 Cb 0.22 1.38 -0.02 0.00 -0.00 0.00 0.00 36.82 38.40 1hf9 h ILE 24 CO -0.19 0.21 0.21 -0.08 -0.00 0.00 0.00 178.15 178.29 1hf9 h GLU 25 N 0.01 0.48 -0.44 0.16 4.81 0.22 0.56 114.58 120.38 1hf9 h GLU 25 Ca -0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1hf9 h GLU 25 Cb 0.37 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1hf9 h GLU 25 CO 0.03 0.37 0.25 -0.09 -0.73 0.00 0.00 179.01 178.83 1hf9 h ARG 26 N 0.45 0.49 0.00 1.92 2.43 -1.05 -0.18 114.38 118.44 1hf9 h ARG 26 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1hf9 h ARG 26 Cb 0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1hf9 h ARG 26 CO -0.02 0.32 -0.05 0.45 -1.51 0.00 0.00 179.97 179.16 1hf9 h HIS 27 N 0.50 0.00 0.00 2.20 3.86 -1.22 -2.05 115.15 118.44 1hf9 h HIS 27 Ca 0.18 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 1hf9 h HIS 27 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1hf9 h HIS 27 CO -0.08 0.05 -0.67 1.57 0.86 0.00 0.00 177.93 179.66 1hf9 h LYS 28 N 0.00 0.00 -0.09 2.45 5.09 0.84 -2.75 116.57 122.11 1hf9 h LYS 28 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.58 1hf9 h LYS 28 Cb 0.37 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.71 1hf9 h LYS 28 CO 0.01 0.57 -0.56 0.37 -2.09 0.00 0.00 179.45 177.74 1hf9 h GLN 29 N 0.00 0.54 -0.05 0.07 4.15 -0.53 -0.18 115.11 119.12 1hf9 h GLN 29 Ca -0.02 -0.46 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 1hf9 h GLN 29 Cb 1.47 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.26 1hf9 h GLN 29 CO 0.07 1.09 -0.00 0.66 -1.93 0.00 0.00 178.83 178.72 1hf9 h SER 30 N 0.14 0.08 0.50 -0.69 4.64 -1.58 -1.07 113.55 115.58 1hf9 h SER 30 Ca -0.04 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 1hf9 h SER 30 Cb 1.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1hf9 h SER 30 CO 0.12 0.37 -0.29 -0.29 -0.87 0.00 0.00 176.83 175.87 1hf9 h ILE 31 N -0.21 0.95 0.00 0.95 6.09 -1.57 -2.28 117.51 121.44 1hf9 h ILE 31 Ca 0.01 -1.10 -0.02 0.00 -1.37 0.00 0.00 64.86 62.38 1hf9 h ILE 31 Cb 0.33 1.64 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 1hf9 h ILE 31 CO 0.00 0.29 -0.11 0.50 -3.07 0.00 0.00 178.15 175.76 1hf9 h LYS 32 N 0.00 0.00 0.19 2.19 3.64 -0.85 -2.26 116.57 119.47 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 0.62 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1hf9 h LYS 32 CO 0.04 0.11 -1.50 -0.22 -2.27 0.00 0.00 179.45 175.61 1hf9 h LYS 33 N 0.00 0.40 0.00 1.90 3.64 -0.63 -1.45 116.57 120.44 1hf9 h LYS 33 Ca -0.00 -0.69 -0.16 0.00 -1.27 0.00 0.00 60.65 58.53 1hf9 h LYS 33 Cb 1.04 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1hf9 h LYS 33 CO 0.01 1.31 -0.81 -0.07 -2.27 0.00 0.00 179.45 177.63 1hf9 h LEU 34 N 0.11 0.00 0.00 5.20 3.38 -1.54 -1.98 115.31 120.48 1hf9 h LEU 34 Ca -0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1hf9 h LEU 34 Cb 2.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 1hf9 h LEU 34 CO 0.22 0.70 -1.10 0.07 0.09 0.00 0.00 178.44 178.42 1hf9 h LYS 35 N 0.00 0.00 0.00 1.13 5.09 -1.51 -2.70 116.57 118.58 1hf9 h LYS 35 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.55 1hf9 h LYS 35 Cb 1.56 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.87 1hf9 h LYS 35 CO 0.09 0.38 -1.12 0.37 -2.09 0.00 0.00 179.45 177.08 1hf9 h GLN 36 N 0.00 0.00 0.02 0.07 5.75 -1.31 -2.29 115.11 117.36 1hf9 h GLN 36 Ca -0.10 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.13 1hf9 h GLN 36 Cb 1.52 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.04 1hf9 h GLN 36 CO 0.05 0.43 -1.41 1.03 -2.65 0.00 0.00 178.83 176.29 1hf9 h SER 37 N 0.00 0.08 1.00 -0.69 0.87 -1.46 0.08 113.55 113.43 1hf9 h SER 37 Ca -0.11 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.20 1hf9 h SER 37 Cb 1.57 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 1hf9 h SER 37 CO 0.06 1.09 -1.06 -0.08 -0.53 0.00 0.00 176.83 176.31 1hf9 h GLU 38 N 0.01 0.00 0.00 2.24 4.22 -1.59 -3.34 114.58 116.12 1hf9 h GLU 38 Ca -0.17 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.14 1hf9 h GLU 38 Cb 1.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1hf9 h GLU 38 CO 0.11 0.35 -1.94 -3.47 -2.18 0.00 0.00 179.01 171.88 1hf9 n ASP 39 N -3.00 0.19 -2.57 1.04 2.03 -0.86 -5.07 116.55 108.30 1hf9 n ASP 39 Ca -0.05 0.08 -0.03 0.00 0.52 0.00 0.00 54.79 55.31 1hf9 n ASP 39 Cb 0.79 1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 42.50 1hf9 n ASP 39 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hf9 n ASP 40 N -2.51 -3.47 0.00 1.67 8.00 0.01 -5.03 116.55 115.21 1hf9 n ASP 40 Ca -0.12 1.42 0.00 0.00 0.71 0.00 0.00 54.79 56.80 1hf9 n ASP 40 Cb 0.77 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14