#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hf9 n LEU 2 N 0.00 0.00 -4.91 0.00 0.00 -1.26 -5.17 117.00 105.66 1hf9 n LEU 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.74 1hf9 n LEU 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 1hf9 n LEU 2 CO 0.00 0.00 0.34 -0.54 0.00 0.00 0.00 177.39 177.19 1hf9 s LYS 3 N 0.00 3.57 -0.18 1.96 3.01 -1.26 -5.04 119.74 121.80 1hf9 s LYS 3 Ca 0.00 0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 54.92 1hf9 s LYS 3 Cb 0.00 -2.49 -0.08 0.00 -1.01 0.00 0.00 37.83 34.25 1hf9 s LYS 3 CO 0.00 -0.03 -0.27 1.63 0.51 0.00 0.00 175.35 177.19 1hf9 n LYS 4 N -1.80 0.44 -0.35 1.68 4.76 -1.26 -4.21 118.16 117.42 1hf9 n LYS 4 Ca -0.01 0.19 0.14 0.00 -2.87 0.00 0.00 58.31 55.76 1hf9 n LYS 4 Cb 0.55 -1.24 0.34 0.00 -1.84 0.00 0.00 35.03 32.84 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1hf9 h HIS 5 N -0.76 1.03 0.40 2.13 2.07 -2.00 -1.33 115.15 116.69 1hf9 h HIS 5 Ca -0.38 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.16 1hf9 h HIS 5 Cb 1.26 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1hf9 h HIS 5 CO -0.15 0.22 -0.19 0.45 -3.07 0.00 0.00 177.93 175.19 1hf9 h HIS 6 N 0.72 -0.49 -0.19 6.12 3.86 -2.00 -1.98 115.15 121.20 1hf9 h HIS 6 Ca 0.58 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.83 1hf9 h HIS 6 Cb 0.95 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 1hf9 h HIS 6 CO -0.00 -0.25 0.36 1.49 0.86 0.00 0.00 177.93 180.38 1hf9 h GLU 7 N -0.63 0.00 0.45 2.45 4.57 -1.44 0.16 114.58 120.15 1hf9 h GLU 7 Ca -0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1hf9 h GLU 7 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1hf9 h GLU 7 CO 0.09 0.00 -0.22 -0.91 -1.18 0.00 0.00 179.01 176.79 1hf9 h ASN 8 N 0.00 -0.51 0.45 1.04 4.21 -0.61 -0.28 115.58 119.88 1hf9 h ASN 8 Ca 0.09 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1hf9 h ASN 8 Cb 0.81 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 1hf9 h ASN 8 CO -0.00 -0.10 0.00 -0.62 -1.29 0.00 0.00 177.43 175.42 1hf9 n GLU 9 N -5.10 0.10 -0.02 0.81 4.71 -0.81 -2.16 120.64 118.17 1hf9 n GLU 9 Ca -0.08 0.18 -0.07 0.00 -0.01 0.00 0.00 57.16 57.19 1hf9 n GLU 9 Cb 0.24 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.04 1hf9 n GLU 9 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1hf9 n ILE 10 N -1.41 1.50 0.07 -3.67 5.41 0.50 -2.43 119.36 119.33 1hf9 n ILE 10 Ca 0.06 -0.78 -0.06 0.00 1.00 0.00 0.00 62.75 62.97 1hf9 n ILE 10 Cb 0.17 -0.93 -0.10 0.00 -0.71 0.00 0.00 39.64 38.07 1hf9 n ILE 10 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1hf9 h SER 11 N 0.00 0.00 0.03 4.38 4.64 -0.52 -1.71 113.55 120.36 1hf9 h SER 11 Ca -0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1hf9 h SER 11 Cb 1.94 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.04 1hf9 h SER 11 CO 0.07 0.92 -0.21 -0.74 -0.87 0.00 0.00 176.83 175.99 1hf9 h HIS 12 N 0.00 0.16 0.00 4.77 -0.00 -1.58 -2.73 115.15 115.76 1hf9 h HIS 12 Ca -0.03 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 60.19 1hf9 h HIS 12 Cb 1.72 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 29.11 1hf9 h HIS 12 CO 0.00 1.04 -0.24 0.45 -0.00 0.00 0.00 177.93 179.18 1hf9 h HIS 13 N -0.77 0.00 -0.02 5.26 -0.00 -1.59 -1.90 115.15 116.14 1hf9 h HIS 13 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1hf9 h HIS 13 Cb 1.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1hf9 h HIS 13 CO 0.24 0.24 -0.01 0.00 -0.00 0.00 0.00 177.93 178.41 1hf9 h ALA 14 N 1.76 0.02 0.00 2.45 0.00 -1.36 -1.40 119.26 120.74 1hf9 h ALA 14 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1hf9 h ALA 14 Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1hf9 h ALA 14 CO 0.03 -0.27 -0.07 0.87 0.00 0.00 0.00 179.25 179.81 1hf9 h LYS 15 N -0.35 0.00 0.01 0.00 1.79 -1.29 -2.17 116.57 114.57 1hf9 h LYS 15 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1hf9 h LYS 15 Cb 0.40 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1hf9 h LYS 15 CO 0.00 0.07 -1.04 0.93 -1.08 0.00 0.00 179.45 178.34 1hf9 h GLU 16 N 0.00 0.63 -0.14 3.15 4.39 -1.04 -1.45 114.58 120.11 1hf9 h GLU 16 Ca -0.00 -0.69 -0.19 0.00 0.34 0.00 0.00 59.36 58.82 1hf9 h GLU 16 Cb 0.36 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1hf9 h GLU 16 CO 0.01 1.28 -0.68 -0.84 -1.16 0.00 0.00 179.01 177.62 1hf9 h ILE 17 N 0.35 1.33 0.00 3.13 -0.00 -0.83 -2.22 117.51 119.27 1hf9 h ILE 17 Ca -0.12 -1.98 -0.11 0.00 -0.00 0.00 0.00 64.86 62.65 1hf9 h ILE 17 Cb 1.69 1.96 -0.02 0.00 -0.00 0.00 0.00 36.82 40.45 1hf9 h ILE 17 CO 0.20 0.61 -0.52 -0.08 -0.00 0.00 0.00 178.15 178.36 1hf9 h GLU 18 N 0.41 0.00 -0.09 0.16 4.81 -1.47 -2.52 114.58 115.87 1hf9 h GLU 18 Ca -0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1hf9 h GLU 18 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1hf9 h GLU 18 CO 0.13 0.52 -0.29 -0.09 -0.73 0.00 0.00 179.01 178.55 1hf9 h ARG 19 N 0.00 0.36 -0.47 1.92 2.43 -1.16 -2.35 114.38 115.11 1hf9 h ARG 19 Ca -0.01 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 1hf9 h ARG 19 Cb 1.18 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1hf9 h ARG 19 CO 0.07 0.89 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.29 1hf9 h LEU 20 N -0.10 0.80 -0.96 3.80 3.38 -1.43 -2.62 115.31 118.18 1hf9 h LEU 20 Ca -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1hf9 h LEU 20 Cb 0.92 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1hf9 h LEU 20 CO 0.06 0.90 0.29 -0.61 0.09 0.00 0.00 178.44 179.17 1hf9 h GLN 21 N 0.75 1.04 -0.11 1.13 4.15 -1.46 -2.53 115.11 118.08 1hf9 h GLN 21 Ca 0.13 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1hf9 h GLN 21 Cb 0.54 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1hf9 h GLN 21 CO 0.03 0.84 0.07 -0.22 -1.93 0.00 0.00 178.83 177.62 1hf9 h LYS 22 N 1.02 0.14 -0.65 1.69 3.64 -1.06 -1.60 116.57 119.75 1hf9 h LYS 22 Ca 0.24 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 1hf9 h LYS 22 Cb 0.19 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1hf9 h LYS 22 CO -0.02 0.09 0.29 1.49 -2.27 0.00 0.00 179.45 179.04 1hf9 h GLU 23 N 0.15 0.50 -0.23 1.90 4.81 -1.23 0.11 114.58 120.60 1hf9 h GLU 23 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1hf9 h GLU 23 Cb -0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1hf9 h GLU 23 CO -0.01 0.33 0.07 -0.84 -0.73 0.00 0.00 179.01 177.83 1hf9 h ILE 24 N 0.51 1.11 -0.55 2.32 -0.00 -1.07 -1.94 117.51 117.89 1hf9 h ILE 24 Ca 0.32 -0.36 0.02 0.00 -0.00 0.00 0.00 64.86 64.84 1hf9 h ILE 24 Cb 0.35 0.86 -0.03 0.00 -0.00 0.00 0.00 36.82 38.00 1hf9 h ILE 24 CO -0.27 0.13 0.35 -0.08 -0.00 0.00 0.00 178.15 178.28 1hf9 h GLU 25 N 0.32 0.68 -0.76 0.16 4.81 0.20 0.09 114.58 120.08 1hf9 h GLU 25 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1hf9 h GLU 25 Cb 0.11 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1hf9 h GLU 25 CO -0.01 0.45 0.45 -0.09 -0.73 0.00 0.00 179.01 179.08 1hf9 h ARG 26 N 0.70 1.03 0.00 1.92 2.43 -0.91 -0.45 114.38 119.10 1hf9 h ARG 26 Ca 0.21 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1hf9 h ARG 26 Cb -0.03 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1hf9 h ARG 26 CO -0.07 0.72 -0.18 0.45 -1.51 0.00 0.00 179.97 179.38 1hf9 h HIS 27 N 1.04 0.00 0.00 2.20 3.86 -1.00 -2.63 115.15 118.63 1hf9 h HIS 27 Ca 0.27 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.33 1hf9 h HIS 27 Cb -0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1hf9 h HIS 27 CO 0.00 0.18 -0.71 1.57 0.86 0.00 0.00 177.93 179.84 1hf9 h LYS 28 N 0.00 0.00 -0.13 2.45 5.09 0.62 -2.46 116.57 122.14 1hf9 h LYS 28 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.60 1hf9 h LYS 28 Cb 0.69 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.02 1hf9 h LYS 28 CO 0.02 0.71 -0.44 0.37 -2.09 0.00 0.00 179.45 178.02 1hf9 h GLN 29 N 0.00 0.53 -0.14 0.07 4.15 -1.01 0.21 115.11 118.92 1hf9 h GLN 29 Ca -0.01 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 58.99 1hf9 h GLN 29 Cb 1.46 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.21 1hf9 h GLN 29 CO 0.09 1.02 -0.00 0.66 -1.93 0.00 0.00 178.83 178.67 1hf9 h SER 30 N 0.14 0.25 0.75 -0.69 4.64 -1.55 -1.32 113.55 115.77 1hf9 h SER 30 Ca -0.02 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1hf9 h SER 30 Cb 1.07 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1hf9 h SER 30 CO 0.09 0.50 -0.23 -0.29 -0.87 0.00 0.00 176.83 176.04 1hf9 h ILE 31 N -0.02 0.62 0.00 0.95 6.09 -1.51 -2.56 117.51 121.09 1hf9 h ILE 31 Ca 0.04 -1.04 -0.11 0.00 -1.37 0.00 0.00 64.86 62.38 1hf9 h ILE 31 Cb 0.38 1.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.34 1hf9 h ILE 31 CO 0.01 0.22 -0.53 0.50 -3.07 0.00 0.00 178.15 175.28 1hf9 h LYS 32 N 0.00 0.00 0.05 2.19 3.64 -0.73 -2.42 116.57 119.30 1hf9 h LYS 32 Ca -0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1hf9 h LYS 32 Cb 0.66 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1hf9 h LYS 32 CO 0.03 0.53 -0.80 0.87 -2.27 0.00 0.00 179.45 177.81 1hf9 h LYS 33 N 0.00 0.46 -0.20 1.90 1.57 -0.85 -1.52 116.57 117.93 1hf9 h LYS 33 Ca -0.01 -0.56 -0.13 0.00 -1.87 0.00 0.00 60.65 58.09 1hf9 h LYS 33 Cb 1.36 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1hf9 h LYS 33 CO 0.07 1.20 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.64 1hf9 h LEU 34 N -0.04 0.52 -0.31 2.94 3.38 -1.55 -2.05 115.31 118.20 1hf9 h LEU 34 Ca -0.11 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.42 1hf9 h LEU 34 Cb 1.52 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1hf9 h LEU 34 CO 0.15 0.89 -0.79 0.11 0.09 0.00 0.00 178.44 178.90 1hf9 h LYS 35 N 0.39 0.48 0.00 1.13 1.57 -1.50 -3.10 116.57 115.55 1hf9 h LYS 35 Ca 0.03 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.30 1hf9 h LYS 35 Cb 0.93 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1hf9 h LYS 35 CO 0.08 1.06 -0.42 0.37 -0.57 0.00 0.00 179.45 179.97 1hf9 h GLN 36 N 0.32 0.00 0.00 3.15 4.15 -1.16 -2.60 115.11 118.96 1hf9 h GLN 36 Ca -0.05 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1hf9 h GLN 36 Cb 1.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 1hf9 h GLN 36 CO 0.14 0.42 -0.29 0.77 -1.93 0.00 0.00 178.83 177.94 1hf9 h SER 37 N 0.00 0.00 1.15 -0.69 0.02 -1.30 -1.10 113.55 111.63 1hf9 h SER 37 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1hf9 h SER 37 Cb 0.81 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1hf9 h SER 37 CO 0.05 0.29 -0.90 -0.08 -1.14 0.00 0.00 176.83 175.06 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.81 -1.45 -3.29 114.58 118.09 1hf9 h GLU 38 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1hf9 h GLU 38 Cb 0.70 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1hf9 h GLU 38 CO 0.04 0.46 -0.91 -0.44 -0.73 0.00 0.00 179.01 177.42 1hf9 h ASP 39 N 0.00 0.00 -0.80 1.04 5.19 -1.25 -3.45 116.42 117.15 1hf9 h ASP 39 Ca -0.07 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.85 1hf9 h ASP 39 Cb 1.49 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.96 1hf9 h ASP 39 CO 0.06 0.37 1.68 -0.67 -3.12 0.00 0.00 179.24 177.57 1hf9 n ASP 40 N -2.96 1.32 0.00 6.45 2.03 -0.45 -5.10 116.55 117.84 1hf9 n ASP 40 Ca -0.03 -0.13 0.09 0.00 0.52 0.00 0.00 54.79 55.24 1hf9 n ASP 40 Cb 0.71 -1.25 0.53 0.00 -0.72 0.00 0.00 41.12 40.39 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75