#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 0.03 -3.57 0.00 7.94 -1.26 -5.07 117.00 115.07 1hf9 n LEU 2 Ca 0.00 0.21 -0.25 0.00 -1.11 0.00 0.00 56.01 54.86 1hf9 n LEU 2 Cb 0.00 0.13 0.05 0.00 0.53 0.00 0.00 43.42 44.13 1hf9 n LEU 2 CO 0.00 -0.64 -0.05 0.29 -1.11 0.00 0.00 177.39 175.89 1hf9 n LYS 3 N -2.97 -2.32 0.07 1.96 5.02 -1.26 -4.90 118.16 113.76 1hf9 n LYS 3 Ca 0.00 0.60 -0.07 0.00 -2.02 0.00 0.00 58.31 56.82 1hf9 n LYS 3 Cb 0.00 -4.82 0.07 0.00 -0.02 0.00 0.00 35.03 30.26 1hf9 n LYS 3 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1hf9 h LYS 4 N -1.67 0.28 -0.08 1.97 3.64 -2.02 -3.05 116.57 115.64 1hf9 h LYS 4 Ca -0.64 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 58.55 1hf9 h LYS 4 Cb 1.35 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1hf9 h LYS 4 CO 0.49 0.86 0.06 1.12 -2.27 0.00 0.00 179.45 179.70 1hf9 h HIS 5 N 0.19 0.00 -0.71 1.91 2.07 -2.01 -1.46 115.15 115.14 1hf9 h HIS 5 Ca -0.02 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.50 1hf9 h HIS 5 Cb 1.23 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.17 1hf9 h HIS 5 CO 0.03 0.00 0.43 0.45 -3.07 0.00 0.00 177.93 175.77 1hf9 h HIS 6 N 0.00 0.93 0.00 6.12 3.86 -1.91 -0.96 115.15 123.19 1hf9 h HIS 6 Ca 0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1hf9 h HIS 6 Cb 0.15 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1hf9 h HIS 6 CO 0.00 0.62 -0.14 0.93 0.86 0.00 0.00 177.93 180.20 1hf9 h GLU 7 N 0.97 0.00 0.23 2.45 5.08 -1.41 -1.06 114.58 120.85 1hf9 h GLU 7 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1hf9 h GLU 7 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1hf9 h GLU 7 CO -0.05 0.14 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.02 1hf9 h ASN 8 N 0.00 -0.26 0.08 1.42 -1.24 -1.21 -2.20 115.58 112.17 1hf9 h ASN 8 Ca -0.00 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 56.77 1hf9 h ASN 8 Cb 0.34 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 1hf9 h ASN 8 CO 0.02 0.25 -0.02 -0.08 -1.29 0.00 0.00 177.43 176.31 1hf9 h GLU 9 N -0.95 0.00 -0.03 6.67 4.57 -1.37 -2.02 114.58 121.46 1hf9 h GLU 9 Ca -0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1hf9 h GLU 9 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1hf9 h GLU 9 CO 0.05 0.02 -0.07 0.82 -1.18 0.00 0.00 179.01 178.65 1hf9 h ILE 10 N 0.00 1.45 0.00 2.32 2.04 -1.17 -2.58 117.51 119.57 1hf9 h ILE 10 Ca -0.00 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 1hf9 h ILE 10 Cb 0.07 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1hf9 h ILE 10 CO 0.00 0.39 -0.13 -1.28 0.00 0.00 0.00 178.15 177.13 1hf9 h SER 11 N -0.45 0.00 -0.16 1.72 0.87 -0.79 -2.35 113.55 112.39 1hf9 h SER 11 Ca -0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1hf9 h SER 11 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1hf9 h SER 11 CO 0.02 0.13 -0.33 -0.74 -0.53 0.00 0.00 176.83 175.37 1hf9 h HIS 12 N 0.00 0.65 -0.01 2.24 -0.00 -1.33 -2.72 115.15 113.98 1hf9 h HIS 12 Ca -0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 60.37 60.09 1hf9 h HIS 12 Cb 0.29 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1hf9 h HIS 12 CO 0.00 0.96 -0.19 0.45 -0.00 0.00 0.00 177.93 179.15 1hf9 h HIS 13 N 0.15 0.02 0.14 5.26 -0.00 -1.04 -1.77 115.15 117.91 1hf9 h HIS 13 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1hf9 h HIS 13 Cb 0.93 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1hf9 h HIS 13 CO 0.10 0.21 -0.07 0.00 -0.00 0.00 0.00 177.93 178.17 1hf9 h ALA 14 N 1.79 -0.19 0.00 2.45 0.00 -1.31 -1.38 119.26 120.62 1hf9 h ALA 14 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1hf9 h ALA 14 Cb 0.35 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hf9 h ALA 14 CO 0.03 -0.49 -0.03 0.87 0.00 0.00 0.00 179.25 179.62 1hf9 h LYS 15 N -0.43 0.00 0.05 0.00 1.57 -1.22 -2.18 116.57 114.37 1hf9 h LYS 15 Ca -0.02 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 1hf9 h LYS 15 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1hf9 h LYS 15 CO 0.03 0.03 -1.07 0.93 -0.57 0.00 0.00 179.45 178.80 1hf9 h GLU 16 N 0.00 0.39 -0.11 3.15 4.39 -0.86 -1.86 114.58 119.67 1hf9 h GLU 16 Ca -0.00 -0.49 -0.17 0.00 0.34 0.00 0.00 59.36 59.03 1hf9 h GLU 16 Cb 0.26 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1hf9 h GLU 16 CO 0.00 1.17 -0.66 -0.84 -1.16 0.00 0.00 179.01 177.52 1hf9 h ILE 17 N 0.19 1.36 -0.04 3.13 -0.00 -0.64 -1.54 117.51 119.97 1hf9 h ILE 17 Ca -0.11 -2.00 -0.25 0.00 -0.00 0.00 0.00 64.86 62.50 1hf9 h ILE 17 Cb 1.73 1.99 0.01 0.00 -0.00 0.00 0.00 36.82 40.56 1hf9 h ILE 17 CO 0.18 0.61 -0.96 -0.33 -0.00 0.00 0.00 178.15 177.66 1hf9 h GLU 18 N 0.32 0.66 -0.19 0.16 5.08 -1.53 -2.67 114.58 116.41 1hf9 h GLU 18 Ca -0.02 -0.66 -0.11 0.00 -1.00 0.00 0.00 59.36 57.57 1hf9 h GLU 18 Cb 1.22 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1hf9 h GLU 18 CO 0.12 1.26 -0.37 0.00 -1.00 0.00 0.00 179.01 179.02 1hf9 h ARG 19 N 0.39 0.42 -0.30 2.33 2.47 -1.34 -2.67 114.38 115.68 1hf9 h ARG 19 Ca -0.10 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.37 1hf9 h ARG 19 Cb 1.60 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.90 1hf9 h ARG 19 CO 0.18 0.73 -0.02 1.25 0.56 0.00 0.00 179.97 182.67 1hf9 h LEU 20 N 0.36 0.55 -0.61 3.04 6.46 -1.28 -2.45 115.31 121.37 1hf9 h LEU 20 Ca 0.04 -0.33 0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1hf9 h LEU 20 Cb 0.81 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1hf9 h LEU 20 CO 0.07 0.74 0.32 -0.61 -0.62 0.00 0.00 178.44 178.33 1hf9 h GLN 21 N 0.34 0.57 -0.51 1.25 4.15 -1.34 -1.09 115.11 118.48 1hf9 h GLN 21 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1hf9 h GLN 21 Cb 0.48 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1hf9 h GLN 21 CO 0.02 0.38 0.25 -0.22 -1.93 0.00 0.00 178.83 177.33 1hf9 h LYS 22 N 0.59 0.71 -0.59 1.69 3.64 -1.36 -2.30 116.57 118.96 1hf9 h LYS 22 Ca 0.27 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1hf9 h LYS 22 Cb 0.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1hf9 h LYS 22 CO -0.19 0.55 0.00 1.49 -2.27 0.00 0.00 179.45 179.04 1hf9 h GLU 23 N 0.71 1.02 -0.75 1.90 4.81 -0.74 -2.53 114.58 119.00 1hf9 h GLU 23 Ca 0.18 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1hf9 h GLU 23 Cb 0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1hf9 h GLU 23 CO -0.02 0.99 0.32 -0.84 -0.73 0.00 0.00 179.01 178.73 1hf9 h ILE 24 N 0.93 1.25 -0.83 2.32 -0.00 -0.80 -2.47 117.51 117.92 1hf9 h ILE 24 Ca 0.17 -0.75 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 1hf9 h ILE 24 Cb 0.53 0.35 -0.04 0.00 -0.00 0.00 0.00 36.82 37.66 1hf9 h ILE 24 CO 0.03 0.31 0.53 -0.33 -0.00 0.00 0.00 178.15 178.69 1hf9 h GLU 25 N 1.07 1.11 -0.61 0.16 3.07 -1.25 -1.50 114.58 116.64 1hf9 h GLU 25 Ca 0.25 -0.08 0.07 0.00 -0.50 0.00 0.00 59.36 59.10 1hf9 h GLU 25 Cb 0.18 -0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 27.79 1hf9 h GLU 25 CO -0.03 0.75 0.30 0.00 -1.40 0.00 0.00 179.01 178.64 1hf9 h ARG 26 N 1.13 0.54 0.00 2.33 2.47 -1.03 0.13 114.38 119.95 1hf9 h ARG 26 Ca 0.30 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1hf9 h ARG 26 Cb -0.10 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.10 1hf9 h ARG 26 CO -0.06 0.35 -0.23 1.25 0.56 0.00 0.00 179.97 181.84 1hf9 h HIS 27 N 0.55 0.00 0.00 3.04 2.76 -1.09 -1.59 115.15 118.82 1hf9 h HIS 27 Ca 0.28 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.40 1hf9 h HIS 27 Cb 0.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1hf9 h HIS 27 CO -0.11 0.23 -0.25 -0.22 -1.30 0.00 0.00 177.93 176.28 1hf9 h LYS 28 N 0.00 0.00 0.11 5.26 3.64 0.19 -2.00 116.57 123.77 1hf9 h LYS 28 Ca -0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1hf9 h LYS 28 Cb 0.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1hf9 h LYS 28 CO 0.03 0.25 -1.27 0.37 -2.27 0.00 0.00 179.45 176.57 1hf9 h GLN 29 N 0.00 0.23 0.04 1.90 4.15 -0.13 -1.28 115.11 120.02 1hf9 h GLN 29 Ca -0.00 -0.40 -0.25 0.00 0.77 0.00 0.00 58.65 58.77 1hf9 h GLN 29 Cb 0.94 0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.78 1hf9 h GLN 29 CO 0.03 1.17 -1.04 0.77 -1.93 0.00 0.00 178.83 177.83 1hf9 h SER 30 N 0.06 0.58 0.59 -0.69 0.02 -1.41 -1.04 113.55 111.67 1hf9 h SER 30 Ca -0.14 -0.50 -0.23 0.00 -0.84 0.00 0.00 61.79 60.08 1hf9 h SER 30 Cb 1.96 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.31 1hf9 h SER 30 CO 0.19 1.32 -1.03 -0.29 -1.14 0.00 0.00 176.83 175.87 1hf9 h ILE 31 N 0.22 1.50 0.00 3.27 -0.00 -1.46 -2.44 117.51 118.60 1hf9 h ILE 31 Ca -0.11 -2.82 -0.18 0.00 -0.00 0.00 0.00 64.86 61.75 1hf9 h ILE 31 Cb 1.70 2.66 -0.03 0.00 -0.00 0.00 0.00 36.82 41.16 1hf9 h ILE 31 CO 0.18 0.82 -0.84 0.07 -0.00 0.00 0.00 178.15 178.39 1hf9 h LYS 32 N 0.11 0.00 -0.08 2.19 5.09 -1.28 -2.70 116.57 119.90 1hf9 h LYS 32 Ca -0.08 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.45 1hf9 h LYS 32 Cb 1.71 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.04 1hf9 h LYS 32 CO 0.16 0.84 -0.81 -0.22 -2.09 0.00 0.00 179.45 177.34 1hf9 h LYS 33 N 0.00 0.55 -0.38 0.07 3.64 -1.21 -2.60 116.57 116.64 1hf9 h LYS 33 Ca -0.01 -0.48 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1hf9 h LYS 33 Cb 1.51 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.42 1hf9 h LYS 33 CO 0.11 1.11 -0.07 -0.07 -2.27 0.00 0.00 179.45 178.26 1hf9 h LEU 34 N 0.36 0.72 -0.71 5.20 3.38 -1.44 -1.86 115.31 120.96 1hf9 h LEU 34 Ca -0.05 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1hf9 h LEU 34 Cb 1.42 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1hf9 h LEU 34 CO 0.15 0.91 0.41 0.11 0.09 0.00 0.00 178.44 180.11 1hf9 h LYS 35 N 0.53 0.98 -0.29 1.13 1.79 -1.50 -2.17 116.57 117.04 1hf9 h LYS 35 Ca 0.10 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1hf9 h LYS 35 Cb 0.58 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1hf9 h LYS 35 CO 0.03 0.71 -0.10 0.37 -1.08 0.00 0.00 179.45 179.38 1hf9 h GLN 36 N 0.97 0.48 0.00 3.15 4.15 -1.34 -2.29 115.11 120.24 1hf9 h GLN 36 Ca 0.25 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1hf9 h GLN 36 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1hf9 h GLN 36 CO -0.04 0.59 -0.31 1.03 -1.93 0.00 0.00 178.83 178.17 1hf9 h SER 37 N 0.45 0.00 0.39 -0.69 0.87 -0.74 -2.66 113.55 111.17 1hf9 h SER 37 Ca 0.09 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1hf9 h SER 37 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1hf9 h SER 37 CO 0.03 0.31 -0.47 -0.33 -0.53 0.00 0.00 176.83 175.84 1hf9 h GLU 38 N 0.00 0.10 0.00 2.24 5.08 -0.84 -2.72 114.58 118.45 1hf9 h GLU 38 Ca -0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1hf9 h GLU 38 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1hf9 h GLU 38 CO 0.04 0.55 -0.27 -0.44 -1.00 0.00 0.00 179.01 177.89 1hf9 h ASP 39 N 0.08 0.00 -2.48 1.42 5.19 -1.42 -3.44 116.42 115.77 1hf9 h ASP 39 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1hf9 h ASP 39 Cb 0.86 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.38 1hf9 h ASP 39 CO 0.07 0.27 0.02 0.47 -3.12 0.00 0.00 179.24 176.95 1hf9 n ASP 40 N -3.58 0.03 -0.20 6.45 8.00 -1.02 -5.15 116.55 121.07 1hf9 n ASP 40 Ca -0.01 -1.05 0.15 0.00 0.71 0.00 0.00 54.79 54.60 1hf9 n ASP 40 Cb 0.41 -0.07 0.77 0.00 -0.02 0.00 0.00 41.12 42.21 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28