#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 -1.41 0.00 4.32 -1.26 -5.17 117.00 113.48 1hf9 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1hf9 n LEU 2 Cb 0.00 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1hf9 n LEU 2 CO 0.00 -0.05 -0.41 0.29 -1.22 0.00 0.00 177.39 176.00 1hf9 n LYS 3 N -1.14 -3.92 -0.06 3.23 4.01 -1.26 -4.73 118.16 114.29 1hf9 n LYS 3 Ca 0.00 2.97 -0.12 0.00 -0.51 0.00 0.00 58.31 60.64 1hf9 n LYS 3 Cb 0.00 -3.47 -0.04 0.00 -0.51 0.00 0.00 35.03 31.01 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 -1.48 0.25 -0.22 1.97 2.85 -1.26 -4.24 118.16 116.02 1hf9 n LYS 4 Ca 0.00 0.11 0.02 0.00 -1.05 0.00 0.00 58.31 57.39 1hf9 n LYS 4 Cb 0.16 -0.94 0.14 0.00 -0.65 0.00 0.00 35.03 33.74 1hf9 n LYS 4 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1hf9 h HIS 5 N -0.39 0.42 0.16 5.58 2.07 -2.00 -0.08 115.15 120.92 1hf9 h HIS 5 Ca -0.29 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.25 1hf9 h HIS 5 Cb 1.27 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1hf9 h HIS 5 CO -0.03 0.08 -0.07 0.45 -3.07 0.00 0.00 177.93 175.28 1hf9 h HIS 6 N 0.41 -0.19 -0.02 6.12 3.86 -1.92 -2.24 115.15 121.16 1hf9 h HIS 6 Ca 0.35 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1hf9 h HIS 6 Cb 0.48 0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1hf9 h HIS 6 CO -0.18 0.05 0.19 0.93 0.86 0.00 0.00 177.93 179.79 1hf9 h GLU 7 N -0.42 0.00 0.33 2.45 5.08 -1.58 0.17 114.58 120.61 1hf9 h GLU 7 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1hf9 h GLU 7 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1hf9 h GLU 7 CO 0.03 0.00 -0.16 -0.91 -1.00 0.00 0.00 179.01 176.97 1hf9 h ASN 8 N 0.00 -0.38 0.50 1.42 2.35 -0.43 -0.28 115.58 118.76 1hf9 h ASN 8 Ca 0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1hf9 h ASN 8 Cb 0.39 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1hf9 h ASN 8 CO -0.00 0.05 0.00 -0.62 -1.65 0.00 0.00 177.43 175.21 1hf9 n GLU 9 N -4.97 0.08 -0.03 0.81 1.02 -0.94 -2.22 120.64 114.39 1hf9 n GLU 9 Ca -0.06 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.18 1hf9 n GLU 9 Cb 0.18 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1hf9 n GLU 9 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1hf9 n ILE 10 N -1.43 1.57 0.08 -3.67 5.41 0.55 -2.51 119.36 119.37 1hf9 n ILE 10 Ca 0.05 -0.80 -0.05 0.00 1.00 0.00 0.00 62.75 62.95 1hf9 n ILE 10 Cb 0.18 -0.94 -0.04 0.00 -0.71 0.00 0.00 39.64 38.12 1hf9 n ILE 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1hf9 h SER 11 N 0.00 0.00 0.02 4.38 0.02 -0.56 -0.53 113.55 116.88 1hf9 h SER 11 Ca -0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1hf9 h SER 11 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1hf9 h SER 11 CO 0.07 0.88 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.89 1hf9 h HIS 12 N 0.00 -0.02 0.00 3.45 -0.00 -1.59 -2.67 115.15 114.33 1hf9 h HIS 12 Ca -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1hf9 h HIS 12 Cb 1.59 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 29.00 1hf9 h HIS 12 CO 0.00 0.71 -0.15 0.45 -0.00 0.00 0.00 177.93 178.94 1hf9 h HIS 13 N -0.93 0.00 0.01 5.26 -0.00 -1.58 -2.52 115.15 115.39 1hf9 h HIS 13 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1hf9 h HIS 13 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1hf9 h HIS 13 CO 0.20 0.15 -0.01 0.00 -0.00 0.00 0.00 177.93 178.27 1hf9 h ALA 14 N 1.85 -0.02 -0.36 2.45 0.00 -1.13 -2.07 119.26 119.99 1hf9 h ALA 14 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1hf9 h ALA 14 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1hf9 h ALA 14 CO 0.02 -0.38 0.24 0.87 0.00 0.00 0.00 179.25 180.00 1hf9 h LYS 15 N -0.28 0.25 0.10 0.00 1.57 -1.10 -1.92 116.57 115.19 1hf9 h LYS 15 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hf9 h LYS 15 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1hf9 h LYS 15 CO 0.00 0.16 -0.05 0.93 -0.57 0.00 0.00 179.45 179.93 1hf9 h GLU 16 N 0.26 -0.12 0.00 3.15 5.08 -1.11 -2.20 114.58 119.64 1hf9 h GLU 16 Ca 0.16 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1hf9 h GLU 16 Cb 0.29 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1hf9 h GLU 16 CO -0.03 0.15 -0.03 -0.84 -1.00 0.00 0.00 179.01 177.26 1hf9 h ILE 17 N -0.39 0.26 0.01 3.13 -0.00 -0.75 -1.69 117.51 118.08 1hf9 h ILE 17 Ca -0.01 -0.19 -0.24 0.00 -0.00 0.00 0.00 64.86 64.41 1hf9 h ILE 17 Cb 0.33 1.14 0.01 0.00 -0.00 0.00 0.00 36.82 38.30 1hf9 h ILE 17 CO 0.02 0.03 -1.00 -0.08 -0.00 0.00 0.00 178.15 177.12 1hf9 h GLU 18 N 0.00 0.51 0.10 0.16 4.57 -1.04 -1.81 114.58 117.07 1hf9 h GLU 18 Ca -0.00 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 1hf9 h GLU 18 Cb 0.14 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1hf9 h GLU 18 CO 0.00 1.20 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.89 1hf9 h ARG 19 N 0.28 -0.13 -0.65 1.92 2.43 -0.70 -0.27 114.38 117.26 1hf9 h ARG 19 Ca -0.10 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1hf9 h ARG 19 Cb 1.65 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.20 1hf9 h ARG 19 CO 0.18 0.14 0.43 -0.07 -1.51 0.00 0.00 179.97 179.14 1hf9 h LEU 20 N -0.40 0.74 -2.04 3.80 3.38 -1.55 -0.65 115.31 118.58 1hf9 h LEU 20 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hf9 h LEU 20 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1hf9 h LEU 20 CO 0.02 0.53 -0.01 -0.61 0.09 0.00 0.00 178.44 178.46 1hf9 h GLN 21 N 0.87 0.00 -0.15 1.13 5.75 -1.20 -1.94 115.11 119.57 1hf9 h GLN 21 Ca 0.24 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1hf9 h GLN 21 Cb -0.10 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1hf9 h GLN 21 CO -0.05 0.01 0.06 -0.22 -2.65 0.00 0.00 178.83 175.98 1hf9 h LYS 22 N 0.00 0.22 -0.10 1.69 3.64 0.56 -0.48 116.57 122.09 1hf9 h LYS 22 Ca -0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1hf9 h LYS 22 Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1hf9 h LYS 22 CO 0.00 0.29 0.04 1.49 -2.27 0.00 0.00 179.45 179.00 1hf9 h GLU 23 N 0.09 0.09 0.00 1.90 4.81 -1.11 -1.04 114.58 119.32 1hf9 h GLU 23 Ca 0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1hf9 h GLU 23 Cb 0.15 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1hf9 h GLU 23 CO -0.01 0.06 -0.01 -0.84 -0.73 0.00 0.00 179.01 177.48 1hf9 h ILE 24 N 0.09 0.70 -0.25 2.32 -0.00 -1.33 -0.23 117.51 118.81 1hf9 h ILE 24 Ca 0.04 -0.05 -0.12 0.00 -0.00 0.00 0.00 64.86 64.73 1hf9 h ILE 24 Cb 0.02 1.03 -0.01 0.00 -0.00 0.00 0.00 36.82 37.86 1hf9 h ILE 24 CO -0.04 0.01 -0.37 -0.33 -0.00 0.00 0.00 178.15 177.42 1hf9 h GLU 25 N 0.00 0.55 -0.13 0.16 5.08 0.20 -0.76 114.58 119.68 1hf9 h GLU 25 Ca -0.00 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1hf9 h GLU 25 Cb 0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1hf9 h GLU 25 CO 0.00 0.83 0.07 -0.09 -1.00 0.00 0.00 179.01 178.82 1hf9 h ARG 26 N 0.46 0.19 0.00 2.33 2.43 -0.35 0.20 114.38 119.64 1hf9 h ARG 26 Ca 0.05 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1hf9 h ARG 26 Cb 0.85 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1hf9 h ARG 26 CO 0.07 0.22 -0.26 1.25 -1.51 0.00 0.00 179.97 179.75 1hf9 h HIS 27 N 0.10 0.00 0.00 2.20 2.76 -1.40 -1.36 115.15 117.45 1hf9 h HIS 27 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1hf9 h HIS 27 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1hf9 h HIS 27 CO -0.04 0.26 0.00 -0.22 -1.30 0.00 0.00 177.93 176.64 1hf9 h LYS 28 N 0.00 0.00 0.12 5.26 3.64 -0.29 -2.65 116.57 122.65 1hf9 h LYS 28 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1hf9 h LYS 28 Cb 0.50 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1hf9 h LYS 28 CO 0.03 0.00 -1.05 0.37 -2.27 0.00 0.00 179.45 176.54 1hf9 h GLN 29 N 0.00 0.50 -0.33 1.90 4.15 0.53 -1.17 115.11 120.69 1hf9 h GLN 29 Ca 0.00 -0.70 -0.17 0.00 0.77 0.00 0.00 58.65 58.55 1hf9 h GLN 29 Cb 0.82 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1hf9 h GLN 29 CO 0.00 1.31 -0.47 0.66 -1.93 0.00 0.00 178.83 178.40 1hf9 h SER 30 N 0.04 0.97 0.43 -0.69 4.64 -1.51 -0.57 113.55 116.87 1hf9 h SER 30 Ca -0.16 -0.50 -0.18 0.00 -0.47 0.00 0.00 61.79 60.47 1hf9 h SER 30 Cb 1.77 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 1hf9 h SER 30 CO 0.20 1.29 -0.76 -0.29 -0.87 0.00 0.00 176.83 176.40 1hf9 h ILE 31 N 0.69 1.43 0.00 0.95 -0.00 -1.57 -2.64 117.51 116.37 1hf9 h ILE 31 Ca 0.03 -2.30 -0.09 0.00 -0.00 0.00 0.00 64.86 62.51 1hf9 h ILE 31 Cb 1.07 2.23 -0.01 0.00 -0.00 0.00 0.00 36.82 40.11 1hf9 h ILE 31 CO 0.11 0.68 -0.41 0.07 -0.00 0.00 0.00 178.15 178.60 1hf9 h LYS 32 N 0.17 0.00 -0.13 2.19 2.10 -1.19 -2.72 116.57 116.99 1hf9 h LYS 32 Ca -0.03 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.41 1hf9 h LYS 32 Cb 1.33 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.67 1hf9 h LYS 32 CO 0.12 0.41 -0.75 0.87 -2.00 0.00 0.00 179.45 178.10 1hf9 h LYS 33 N 0.00 0.75 -0.22 0.07 1.57 -1.00 -0.18 116.57 117.55 1hf9 h LYS 33 Ca -0.00 -0.62 -0.06 0.00 -1.87 0.00 0.00 60.65 58.09 1hf9 h LYS 33 Cb 1.22 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1hf9 h LYS 33 CO 0.05 1.23 -0.11 1.25 -0.57 0.00 0.00 179.45 181.30 1hf9 h LEU 34 N 0.46 0.48 -1.10 2.94 6.46 -1.49 -2.10 115.31 120.96 1hf9 h LEU 34 Ca -0.06 -0.42 -0.07 0.00 -0.12 0.00 0.00 57.88 57.22 1hf9 h LEU 34 Cb 1.39 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 1hf9 h LEU 34 CO 0.15 0.79 -0.32 0.50 -0.62 0.00 0.00 178.44 178.94 1hf9 h LYS 35 N 0.17 0.00 -0.05 1.25 3.64 -1.54 -2.81 116.57 117.23 1hf9 h LYS 35 Ca 0.05 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1hf9 h LYS 35 Cb 0.61 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1hf9 h LYS 35 CO 0.03 0.32 -0.64 0.37 -2.27 0.00 0.00 179.45 177.26 1hf9 h GLN 36 N 0.00 0.18 0.00 1.90 4.15 -0.85 -2.89 115.11 117.60 1hf9 h GLN 36 Ca -0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1hf9 h GLN 36 Cb 0.79 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 1hf9 h GLN 36 CO 0.04 0.76 -0.14 0.77 -1.93 0.00 0.00 178.83 178.34 1hf9 h SER 37 N 0.13 0.00 1.19 -0.69 0.02 -1.11 -1.09 113.55 112.01 1hf9 h SER 37 Ca -0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1hf9 h SER 37 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1hf9 h SER 37 CO 0.10 0.14 -0.85 -0.08 -1.14 0.00 0.00 176.83 175.00 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.22 -1.56 -3.28 114.58 117.41 1hf9 h GLU 38 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 1hf9 h GLU 38 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1hf9 h GLU 38 CO 0.02 0.46 -0.63 0.22 -2.18 0.00 0.00 179.01 176.90 1hf9 h ASP 39 N 0.00 0.00 -0.29 1.04 3.58 -1.19 -3.44 116.42 116.12 1hf9 h ASP 39 Ca -0.06 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.13 1hf9 h ASP 39 Cb 1.48 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.46 1hf9 h ASP 39 CO 0.06 0.36 1.26 0.47 -2.88 0.00 0.00 179.24 178.52 1hf9 n ASP 40 N -3.08 0.29 -0.52 2.28 8.00 -0.50 -5.11 116.55 117.92 1hf9 n ASP 40 Ca -0.00 -0.77 0.06 0.00 0.71 0.00 0.00 54.79 54.79 1hf9 n ASP 40 Cb 0.69 -1.09 0.05 0.00 -0.02 0.00 0.00 41.12 40.76 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91