#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 5.59 0.04 0.00 1.02 -1.26 -4.89 118.68 119.18 1hf9 s LEU 2 Ca 0.00 -3.19 -0.15 0.00 0.02 0.00 0.00 54.13 50.81 1hf9 s LEU 2 Cb 0.00 -2.32 -0.07 0.00 0.02 0.00 0.00 46.19 43.82 1hf9 s LEU 2 CO 0.00 -0.58 1.24 0.50 0.02 0.00 0.00 176.35 177.53 1hf9 h LYS 3 N 7.04 -0.35 0.00 1.70 1.63 -2.09 -3.45 116.57 121.05 1hf9 h LYS 3 Ca 0.25 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1hf9 h LYS 3 Cb 0.88 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1hf9 h LYS 3 CO 1.14 -0.23 0.00 1.17 -3.45 0.00 0.00 179.45 178.08 1hf9 n LYS 4 N -3.75 0.00 -0.30 1.90 4.81 -1.26 -4.72 118.16 114.85 1hf9 n LYS 4 Ca -0.04 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.69 1hf9 n LYS 4 Cb 0.19 0.00 0.65 0.00 0.02 0.00 0.00 35.03 35.89 1hf9 n LYS 4 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1hf9 h HIS 5 N 0.00 0.26 0.48 5.64 3.86 -2.01 -0.10 115.15 123.28 1hf9 h HIS 5 Ca 0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1hf9 h HIS 5 Cb 0.00 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1hf9 h HIS 5 CO 0.00 0.02 -0.23 0.45 0.86 0.00 0.00 177.93 179.03 1hf9 h HIS 6 N 0.15 -0.60 -0.24 2.45 3.86 -1.99 -1.71 115.15 117.07 1hf9 h HIS 6 Ca 0.56 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.82 1hf9 h HIS 6 Cb 1.88 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 30.54 1hf9 h HIS 6 CO -0.00 -0.35 0.41 1.49 0.86 0.00 0.00 177.93 180.34 1hf9 h GLU 7 N -0.69 0.00 0.47 2.45 4.57 -1.42 0.92 114.58 120.89 1hf9 h GLU 7 Ca -0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1hf9 h GLU 7 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1hf9 h GLU 7 CO 0.11 0.00 -0.23 -0.97 -1.18 0.00 0.00 179.01 176.74 1hf9 h ASN 8 N 0.00 -0.54 0.48 1.04 -0.73 -1.08 -0.58 115.58 114.18 1hf9 h ASN 8 Ca 0.11 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1hf9 h ASN 8 Cb 0.94 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.67 1hf9 h ASN 8 CO -0.00 -0.16 0.00 1.21 -0.37 0.00 0.00 177.43 178.11 1hf9 n GLU 9 N -4.93 0.05 0.02 6.67 2.13 -0.76 -1.92 120.64 121.90 1hf9 n GLU 9 Ca -0.08 0.33 -0.11 0.00 0.66 0.00 0.00 57.16 57.96 1hf9 n GLU 9 Cb 0.25 -1.60 -0.14 0.00 0.27 0.00 0.00 31.44 30.23 1hf9 n GLU 9 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1hf9 h ILE 10 N 0.00 1.11 0.00 6.31 2.04 -0.78 -2.80 117.51 123.39 1hf9 h ILE 10 Ca 0.00 -2.87 -0.18 0.00 1.00 0.00 0.00 64.86 62.81 1hf9 h ILE 10 Cb 0.24 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 1hf9 h ILE 10 CO 0.00 0.71 -0.84 -1.28 0.00 0.00 0.00 178.15 176.74 1hf9 h SER 11 N 0.02 0.00 0.01 1.72 0.87 -0.40 -2.43 113.55 113.34 1hf9 h SER 11 Ca -0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1hf9 h SER 11 Cb 1.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1hf9 h SER 11 CO 0.11 0.84 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.50 1hf9 h HIS 12 N 0.00 -0.01 -0.69 2.24 -0.00 -1.54 -2.73 115.15 112.41 1hf9 h HIS 12 Ca -0.01 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 1hf9 h HIS 12 Cb 1.49 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.86 1hf9 h HIS 12 CO 0.00 0.60 0.46 0.45 -0.00 0.00 0.00 177.93 179.44 1hf9 h HIS 13 N -0.65 0.77 0.19 5.26 -0.00 -1.55 -1.81 115.15 117.36 1hf9 h HIS 13 Ca -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1hf9 h HIS 13 Cb 0.62 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1hf9 h HIS 13 CO 0.14 0.43 -0.15 0.00 -0.00 0.00 0.00 177.93 178.35 1hf9 h ALA 14 N 1.61 -0.33 0.00 2.45 0.00 -1.41 -0.35 119.26 121.24 1hf9 h ALA 14 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1hf9 h ALA 14 Cb 0.15 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hf9 h ALA 14 CO -0.09 -0.70 -0.00 -0.22 0.00 0.00 0.00 179.25 178.24 1hf9 h LYS 15 N -0.35 0.00 -0.02 0.00 3.64 -1.08 -1.46 116.57 117.29 1hf9 h LYS 15 Ca -0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1hf9 h LYS 15 Cb 0.32 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1hf9 h LYS 15 CO -0.02 0.00 -0.98 0.93 -2.27 0.00 0.00 179.45 177.11 1hf9 h GLU 16 N 0.00 0.65 -0.17 1.90 4.39 -0.28 -1.99 114.58 119.08 1hf9 h GLU 16 Ca -0.00 -0.67 -0.13 0.00 0.34 0.00 0.00 59.36 58.89 1hf9 h GLU 16 Cb 0.02 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1hf9 h GLU 16 CO 0.00 1.27 -0.46 -0.84 -1.16 0.00 0.00 179.01 177.82 1hf9 h ILE 17 N 0.38 1.32 -0.13 3.13 -0.00 -0.21 -1.31 117.51 120.70 1hf9 h ILE 17 Ca -0.11 -1.66 -0.20 0.00 -0.00 0.00 0.00 64.86 62.89 1hf9 h ILE 17 Cb 1.63 1.69 0.01 0.00 -0.00 0.00 0.00 36.82 40.15 1hf9 h ILE 17 CO 0.19 0.51 -0.70 -0.08 -0.00 0.00 0.00 178.15 178.07 1hf9 h GLU 18 N 0.35 0.71 -0.03 0.16 4.81 -1.50 -2.58 114.58 116.49 1hf9 h GLU 18 Ca 0.02 -0.58 -0.10 0.00 -0.13 0.00 0.00 59.36 58.57 1hf9 h GLU 18 Cb 0.95 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1hf9 h GLU 18 CO 0.08 1.20 -0.44 0.00 -0.73 0.00 0.00 179.01 179.12 1hf9 h ARG 19 N 0.41 0.08 -0.41 1.92 3.08 -1.32 -2.69 114.38 115.44 1hf9 h ARG 19 Ca -0.05 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 1hf9 h ARG 19 Cb 1.33 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1hf9 h ARG 19 CO 0.14 0.51 -0.34 1.25 -1.07 0.00 0.00 179.97 180.46 1hf9 h LEU 20 N 0.06 1.01 -0.29 3.04 7.12 -1.20 -2.37 115.31 122.68 1hf9 h LEU 20 Ca 0.00 -0.44 -0.01 0.00 0.13 0.00 0.00 57.88 57.57 1hf9 h LEU 20 Cb 0.81 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1hf9 h LEU 20 CO 0.06 1.24 0.16 -0.61 -0.13 0.00 0.00 178.44 179.16 1hf9 h GLN 21 N 0.79 0.41 -0.39 1.25 5.75 -1.25 -1.97 115.11 119.70 1hf9 h GLN 21 Ca 0.07 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1hf9 h GLN 21 Cb 0.93 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1hf9 h GLN 21 CO 0.09 0.36 0.21 0.87 -2.65 0.00 0.00 178.83 177.71 1hf9 h LYS 22 N 0.36 0.54 -0.56 1.69 1.57 -1.43 -2.10 116.57 116.62 1hf9 h LYS 22 Ca 0.10 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1hf9 h LYS 22 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1hf9 h LYS 22 CO -0.02 0.40 -0.06 1.49 -0.57 0.00 0.00 179.45 180.69 1hf9 h GLU 23 N 0.54 1.01 -0.80 3.15 4.81 -0.88 -2.46 114.58 119.96 1hf9 h GLU 23 Ca 0.14 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1hf9 h GLU 23 Cb 0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1hf9 h GLU 23 CO -0.02 1.03 0.39 -0.84 -0.73 0.00 0.00 179.01 178.84 1hf9 h ILE 24 N 0.91 1.25 -0.81 2.32 -0.00 -0.70 -2.38 117.51 118.10 1hf9 h ILE 24 Ca 0.15 -0.69 -0.02 0.00 -0.00 0.00 0.00 64.86 64.30 1hf9 h ILE 24 Cb 0.61 0.23 -0.04 0.00 -0.00 0.00 0.00 36.82 37.62 1hf9 h ILE 24 CO 0.04 0.29 0.42 -0.08 -0.00 0.00 0.00 178.15 178.83 1hf9 h GLU 25 N 1.13 1.15 -0.74 0.16 4.57 -1.28 -1.88 114.58 117.69 1hf9 h GLU 25 Ca 0.28 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.38 1hf9 h GLU 25 Cb 0.11 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.42 1hf9 h GLU 25 CO -0.04 0.86 0.42 0.00 -1.18 0.00 0.00 179.01 179.07 1hf9 h ARG 26 N 1.14 0.73 0.00 1.92 3.08 -0.97 0.12 114.38 120.40 1hf9 h ARG 26 Ca 0.28 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1hf9 h ARG 26 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1hf9 h ARG 26 CO -0.04 0.48 -0.29 1.25 -1.07 0.00 0.00 179.97 180.29 1hf9 h HIS 27 N 0.75 0.00 0.00 3.04 2.76 -1.10 -2.03 115.15 118.57 1hf9 h HIS 27 Ca 0.34 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.43 1hf9 h HIS 27 Cb 0.24 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1hf9 h HIS 27 CO -0.07 0.29 -0.39 -0.22 -1.30 0.00 0.00 177.93 176.25 1hf9 h LYS 28 N 0.00 0.00 0.07 5.26 3.11 -0.05 -1.98 116.57 122.99 1hf9 h LYS 28 Ca -0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.55 1hf9 h LYS 28 Cb 0.59 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.84 1hf9 h LYS 28 CO 0.04 0.39 -1.16 0.37 -2.81 0.00 0.00 179.45 176.27 1hf9 h GLN 29 N 0.00 0.62 -0.14 1.90 4.15 -0.43 -1.31 115.11 119.89 1hf9 h GLN 29 Ca -0.00 -0.77 -0.18 0.00 0.77 0.00 0.00 58.65 58.47 1hf9 h GLN 29 Cb 0.98 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1hf9 h GLN 29 CO 0.05 1.34 -0.64 0.66 -1.93 0.00 0.00 178.83 178.31 1hf9 h SER 30 N 0.31 0.60 0.59 -0.69 4.64 -1.43 -1.05 113.55 116.52 1hf9 h SER 30 Ca -0.16 -0.36 -0.20 0.00 -0.47 0.00 0.00 61.79 60.60 1hf9 h SER 30 Cb 1.83 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.73 1hf9 h SER 30 CO 0.22 1.09 -0.89 -0.29 -0.87 0.00 0.00 176.83 176.09 1hf9 h ILE 31 N 0.38 1.50 0.00 0.95 -0.00 -1.43 -2.46 117.51 116.46 1hf9 h ILE 31 Ca -0.01 -2.65 -0.14 0.00 -0.00 0.00 0.00 64.86 62.06 1hf9 h ILE 31 Cb 1.20 2.48 -0.02 0.00 -0.00 0.00 0.00 36.82 40.49 1hf9 h ILE 31 CO 0.12 0.77 -0.68 0.50 -0.00 0.00 0.00 178.15 178.86 1hf9 h LYS 32 N 0.11 0.00 0.04 2.19 3.64 -1.20 -2.57 116.57 118.77 1hf9 h LYS 32 Ca -0.05 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.09 1hf9 h LYS 32 Cb 1.52 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1hf9 h LYS 32 CO 0.14 0.68 -1.04 -0.22 -2.27 0.00 0.00 179.45 176.73 1hf9 h LYS 33 N 0.00 0.43 -0.24 1.90 1.63 -1.17 -2.29 116.57 116.83 1hf9 h LYS 33 Ca -0.01 -0.52 -0.18 0.00 -0.85 0.00 0.00 60.65 59.09 1hf9 h LYS 33 Cb 1.40 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.19 1hf9 h LYS 33 CO 0.09 1.18 -0.58 -0.07 -3.45 0.00 0.00 179.45 176.61 1hf9 h LEU 34 N 0.22 0.85 -0.69 5.20 3.38 -1.46 -2.27 115.31 120.55 1hf9 h LEU 34 Ca -0.11 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.26 1hf9 h LEU 34 Cb 1.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1hf9 h LEU 34 CO 0.18 1.24 -0.48 0.50 0.09 0.00 0.00 178.44 179.98 1hf9 h LYS 35 N 0.57 0.43 -0.09 1.13 3.64 -1.51 -2.95 116.57 117.78 1hf9 h LYS 35 Ca 0.00 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.01 1hf9 h LYS 35 Cb 1.17 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1hf9 h LYS 35 CO 0.12 0.82 -0.54 0.37 -2.27 0.00 0.00 179.45 177.95 1hf9 h GLN 36 N 0.34 0.27 0.00 1.90 5.75 -1.36 -2.92 115.11 119.09 1hf9 h GLN 36 Ca 0.02 -0.17 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 1hf9 h GLN 36 Cb 0.97 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 1hf9 h GLN 36 CO 0.08 0.74 -0.37 0.66 -2.65 0.00 0.00 178.83 177.30 1hf9 h SER 37 N 0.21 0.00 0.46 -0.69 4.64 -1.26 -2.47 113.55 114.44 1hf9 h SER 37 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1hf9 h SER 37 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1hf9 h SER 37 CO 0.09 0.37 -0.28 -0.08 -0.87 0.00 0.00 176.83 176.05 1hf9 h GLU 38 N 0.00 0.00 0.00 4.77 4.81 -1.35 -2.61 114.58 120.20 1hf9 h GLU 38 Ca -0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1hf9 h GLU 38 Cb 0.69 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1hf9 h GLU 38 CO 0.05 0.28 -1.02 0.22 -0.73 0.00 0.00 179.01 177.81 1hf9 h ASP 39 N 0.00 0.00 0.00 1.04 3.58 -1.49 -3.48 116.42 116.07 1hf9 h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1hf9 h ASP 39 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1hf9 h ASP 39 CO 0.04 0.58 0.00 0.47 -2.88 0.00 0.00 179.24 177.45 1hf9 n ASP 40 N -3.06 0.00 0.00 2.28 9.92 -0.99 -5.14 116.55 119.56 1hf9 n ASP 40 Ca -0.04 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.35 1hf9 n ASP 40 Cb 0.81 0.00 0.79 0.00 -0.64 0.00 0.00 41.12 42.07 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66