#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 -0.03 -0.12 0.00 2.34 -1.26 -5.11 118.68 114.50 1hf9 s LEU 2 Ca 0.00 0.04 -0.06 0.00 0.06 0.00 0.00 54.13 54.17 1hf9 s LEU 2 Cb 0.00 1.07 0.02 0.00 -0.56 0.00 0.00 46.19 46.72 1hf9 s LEU 2 CO 0.00 -0.02 0.13 1.17 -1.06 0.00 0.00 176.35 176.57 1hf9 n LYS 3 N 0.97 -2.56 -0.51 1.48 4.81 -1.26 -4.97 118.16 116.13 1hf9 n LYS 3 Ca -0.04 2.15 0.04 0.00 -0.87 0.00 0.00 58.31 59.59 1hf9 n LYS 3 Cb 0.58 -3.35 0.21 0.00 0.02 0.00 0.00 35.03 32.50 1hf9 n LYS 3 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1hf9 n LYS 4 N 0.90 2.12 0.10 1.64 5.02 -1.26 -4.62 118.16 122.06 1hf9 n LYS 4 Ca -0.22 -2.95 -0.21 0.00 -2.02 0.00 0.00 58.31 52.91 1hf9 n LYS 4 Cb 0.33 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.46 1hf9 n LYS 4 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hf9 h HIS 5 N 1.11 0.90 0.48 2.13 3.86 -2.00 -3.21 115.15 118.41 1hf9 h HIS 5 Ca 0.08 -0.59 -0.02 0.00 -1.16 0.00 0.00 60.37 58.67 1hf9 h HIS 5 Cb 1.40 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1hf9 h HIS 5 CO 0.61 1.44 -0.23 0.45 0.86 0.00 0.00 177.93 181.06 1hf9 h HIS 6 N 0.22 -0.60 -0.30 2.45 3.86 -1.99 -1.84 115.15 116.95 1hf9 h HIS 6 Ca -0.19 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.10 1hf9 h HIS 6 Cb 1.95 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 30.61 1hf9 h HIS 6 CO 0.11 -0.34 0.44 1.49 0.86 0.00 0.00 177.93 180.49 1hf9 h GLU 7 N -0.71 0.00 0.48 2.45 4.81 -1.88 0.14 114.58 119.88 1hf9 h GLU 7 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1hf9 h GLU 7 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1hf9 h GLU 7 CO 0.11 0.00 -0.23 -0.97 -0.73 0.00 0.00 179.01 177.19 1hf9 h ASN 8 N 0.00 -0.55 0.46 1.04 -1.24 -1.34 0.13 115.58 114.07 1hf9 h ASN 8 Ca 0.14 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1hf9 h ASN 8 Cb 1.02 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1hf9 h ASN 8 CO -0.00 -0.19 0.00 -0.62 -1.29 0.00 0.00 177.43 175.33 1hf9 n GLU 9 N -4.89 0.04 0.01 6.67 1.02 -0.75 -1.92 120.64 120.81 1hf9 n GLU 9 Ca -0.08 0.24 -0.03 0.00 -0.02 0.00 0.00 57.16 57.26 1hf9 n GLU 9 Cb 0.26 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.46 1.35 0.06 -3.67 5.41 0.43 -2.43 119.36 119.05 1hf9 n ILE 10 Ca 0.04 -0.73 -0.08 0.00 1.00 0.00 0.00 62.75 62.98 1hf9 n ILE 10 Cb 0.16 -0.85 -0.12 0.00 -0.71 0.00 0.00 39.64 38.12 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 0.05 0.01 4.38 4.64 -0.26 -1.47 113.55 120.89 1hf9 h SER 11 Ca -0.21 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1hf9 h SER 11 Cb 1.75 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1hf9 h SER 11 CO 0.06 1.04 -0.07 -0.74 -0.87 0.00 0.00 176.83 176.25 1hf9 h HIS 12 N 0.01 0.06 0.00 4.77 -0.00 -1.59 -2.68 115.15 115.71 1hf9 h HIS 12 Ca -0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 1hf9 h HIS 12 Cb 1.80 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.20 1hf9 h HIS 12 CO 0.01 0.92 -0.19 0.45 -0.00 0.00 0.00 177.93 179.12 1hf9 h HIS 13 N -0.83 0.00 -0.12 5.26 -0.00 -1.59 -1.65 115.15 116.23 1hf9 h HIS 13 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1hf9 h HIS 13 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.35 1hf9 h HIS 13 CO 0.23 0.19 -0.05 0.00 -0.00 0.00 0.00 177.93 178.30 1hf9 h ALA 14 N 1.81 0.17 0.00 2.45 0.00 -1.29 -1.30 119.26 121.10 1hf9 h ALA 14 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1hf9 h ALA 14 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hf9 h ALA 14 CO 0.02 -0.06 0.00 -0.22 0.00 0.00 0.00 179.25 179.00 1hf9 h LYS 15 N -0.09 0.00 0.09 0.00 3.64 -1.18 -2.14 116.57 116.89 1hf9 h LYS 15 Ca 0.03 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.12 1hf9 h LYS 15 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1hf9 h LYS 15 CO 0.02 0.00 -1.42 0.93 -2.27 0.00 0.00 179.45 176.71 1hf9 h GLU 16 N 0.00 0.20 0.03 1.90 4.39 -1.00 -1.26 114.58 118.84 1hf9 h GLU 16 Ca 0.00 -0.34 -0.23 0.00 0.34 0.00 0.00 59.36 59.13 1hf9 h GLU 16 Cb 0.48 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1hf9 h GLU 16 CO 0.00 1.07 -1.10 0.97 -1.16 0.00 0.00 179.01 178.79 1hf9 h ILE 17 N 0.05 1.61 0.15 3.13 -0.00 -1.06 -1.04 117.51 120.35 1hf9 h ILE 17 Ca -0.19 -3.30 -0.30 0.00 -0.00 0.00 0.00 64.86 61.07 1hf9 h ILE 17 Cb 1.97 2.84 0.01 0.00 -0.00 0.00 0.00 36.82 41.64 1hf9 h ILE 17 CO 0.16 0.93 -1.43 -0.08 -0.00 0.00 0.00 178.15 177.73 1hf9 h GLU 18 N 0.02 0.32 0.00 2.19 4.81 -1.51 -2.48 114.58 117.93 1hf9 h GLU 18 Ca -0.06 -0.54 -0.19 0.00 -0.13 0.00 0.00 59.36 58.44 1hf9 h GLU 18 Cb 1.83 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1hf9 h GLU 18 CO 0.14 1.22 -0.85 -0.09 -0.73 0.00 0.00 179.01 178.71 1hf9 h ARG 19 N 0.09 0.13 -0.21 1.92 9.65 -1.31 -2.68 114.38 121.97 1hf9 h ARG 19 Ca -0.21 -0.14 -0.21 0.00 -1.10 0.00 0.00 59.98 58.32 1hf9 h ARG 19 Cb 2.03 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 30.66 1hf9 h ARG 19 CO 0.20 0.90 -0.69 -0.07 2.80 0.00 0.00 179.97 183.11 1hf9 h LEU 20 N 0.07 0.96 -0.61 3.80 3.38 -1.27 -2.52 115.31 119.11 1hf9 h LEU 20 Ca -0.03 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 1hf9 h LEU 20 Cb 1.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1hf9 h LEU 20 CO 0.12 1.39 0.27 -0.61 0.09 0.00 0.00 178.44 179.70 1hf9 h GLN 21 N 0.59 0.90 -0.62 1.13 4.15 -1.44 -1.94 115.11 117.88 1hf9 h GLN 21 Ca -0.03 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1hf9 h GLN 21 Cb 1.31 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 1hf9 h GLN 21 CO 0.15 0.75 0.16 -0.22 -1.93 0.00 0.00 178.83 177.73 1hf9 h LYS 22 N 0.85 0.97 -0.69 1.69 3.64 -1.47 -2.52 116.57 119.03 1hf9 h LYS 22 Ca 0.21 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1hf9 h LYS 22 Cb 0.16 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1hf9 h LYS 22 CO -0.02 0.85 0.18 1.49 -2.27 0.00 0.00 179.45 179.68 1hf9 h GLU 23 N 0.93 1.09 -0.69 1.90 4.57 -1.07 -2.59 114.58 118.72 1hf9 h GLU 23 Ca 0.20 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1hf9 h GLU 23 Cb 0.32 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1hf9 h GLU 23 CO -0.00 0.96 0.21 -0.84 -1.18 0.00 0.00 179.01 178.16 1hf9 h ILE 24 N 1.04 1.25 -0.61 2.32 -0.00 -1.04 -2.69 117.51 117.78 1hf9 h ILE 24 Ca 0.22 -0.88 0.01 0.00 -0.00 0.00 0.00 64.86 64.21 1hf9 h ILE 24 Cb 0.35 0.49 -0.03 0.00 -0.00 0.00 0.00 36.82 37.63 1hf9 h ILE 24 CO -0.00 0.34 0.40 -0.33 -0.00 0.00 0.00 178.15 178.57 1hf9 h GLU 25 N 1.03 0.80 -0.20 0.16 5.08 -1.13 -0.39 114.58 119.93 1hf9 h GLU 25 Ca 0.23 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1hf9 h GLU 25 Cb 0.30 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1hf9 h GLU 25 CO -0.01 0.53 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.39 1hf9 h ARG 26 N 0.82 0.00 0.00 2.33 2.43 -1.16 0.43 114.38 119.24 1hf9 h ARG 26 Ca 0.22 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1hf9 h ARG 26 Cb -0.09 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1hf9 h ARG 26 CO -0.05 0.00 -0.10 0.45 -1.51 0.00 0.00 179.97 178.76 1hf9 h HIS 27 N 0.00 0.00 0.00 2.20 3.86 -1.21 -1.64 115.15 118.36 1hf9 h HIS 27 Ca 0.10 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.20 1hf9 h HIS 27 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1hf9 h HIS 27 CO -0.22 0.10 -0.48 -0.22 0.86 0.00 0.00 177.93 177.97 1hf9 h LYS 28 N 0.00 0.00 0.12 2.45 3.11 0.75 -2.55 116.57 120.45 1hf9 h LYS 28 Ca -0.00 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.54 1hf9 h LYS 28 Cb 0.33 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.59 1hf9 h LYS 28 CO 0.01 0.48 -1.25 0.37 -2.81 0.00 0.00 179.45 176.26 1hf9 h GLN 29 N 0.00 0.60 -0.24 1.90 4.15 -0.10 -1.79 115.11 119.63 1hf9 h GLN 29 Ca -0.00 -0.81 -0.17 0.00 0.77 0.00 0.00 58.65 58.44 1hf9 h GLN 29 Cb 1.27 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 29.23 1hf9 h GLN 29 CO 0.06 1.37 -0.53 0.66 -1.93 0.00 0.00 178.83 178.46 1hf9 h SER 30 N 0.26 0.78 0.91 -0.69 4.64 -1.52 -1.95 113.55 115.98 1hf9 h SER 30 Ca -0.18 -0.41 -0.14 0.00 -0.47 0.00 0.00 61.79 60.59 1hf9 h SER 30 Cb 1.92 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.76 1hf9 h SER 30 CO 0.24 1.16 -0.65 -0.29 -0.87 0.00 0.00 176.83 176.42 1hf9 h ILE 31 N 0.55 1.30 0.00 0.95 6.09 -1.53 -2.52 117.51 122.34 1hf9 h ILE 31 Ca 0.02 -2.36 -0.15 0.00 -1.37 0.00 0.00 64.86 61.00 1hf9 h ILE 31 Cb 1.10 2.33 -0.02 0.00 0.47 0.00 0.00 36.82 40.70 1hf9 h ILE 31 CO 0.11 0.64 -0.72 0.50 -3.07 0.00 0.00 178.15 175.61 1hf9 h LYS 32 N 0.00 0.00 0.10 2.19 3.64 -1.23 -2.27 116.57 119.00 1hf9 h LYS 32 Ca -0.01 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1hf9 h LYS 32 Cb 1.28 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1hf9 h LYS 32 CO 0.08 0.72 -1.17 0.87 -2.27 0.00 0.00 179.45 177.68 1hf9 h LYS 33 N 0.00 0.43 -0.02 1.90 1.57 -1.28 -2.42 116.57 116.74 1hf9 h LYS 33 Ca -0.01 -0.59 -0.15 0.00 -1.87 0.00 0.00 60.65 58.03 1hf9 h LYS 33 Cb 1.38 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 1hf9 h LYS 33 CO 0.09 1.24 -0.68 -0.07 -0.57 0.00 0.00 179.45 179.47 1hf9 h LEU 34 N 0.18 0.13 -0.13 2.94 3.38 -1.47 -2.15 115.31 118.19 1hf9 h LEU 34 Ca -0.14 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.51 1hf9 h LEU 34 Cb 1.85 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.57 1hf9 h LEU 34 CO 0.21 0.77 -0.97 0.50 0.09 0.00 0.00 178.44 179.04 1hf9 h LYS 35 N 0.07 0.51 0.00 1.13 3.64 -1.45 -2.95 116.57 117.52 1hf9 h LYS 35 Ca -0.01 -0.54 -0.13 0.00 -1.27 0.00 0.00 60.65 58.70 1hf9 h LYS 35 Cb 1.21 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1hf9 h LYS 35 CO 0.10 1.18 -0.60 0.37 -2.27 0.00 0.00 179.45 178.22 1hf9 h GLN 36 N 0.29 0.00 0.00 1.90 -0.00 -1.41 -2.98 115.11 112.91 1hf9 h GLN 36 Ca -0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.44 1hf9 h GLN 36 Cb 1.60 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.07 1hf9 h GLN 36 CO 0.18 0.60 -0.56 1.03 0.00 0.00 0.00 178.83 180.07 1hf9 h SER 37 N 0.00 0.00 0.73 -0.69 0.87 -1.39 -2.31 113.55 110.77 1hf9 h SER 37 Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1hf9 h SER 37 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1hf9 h SER 37 CO 0.08 0.56 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.58 1hf9 h GLU 38 N 0.00 0.00 -0.21 2.24 4.81 -1.36 -2.91 114.58 117.15 1hf9 h GLU 38 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1hf9 h GLU 38 Cb 1.06 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1hf9 h GLU 38 CO 0.07 0.28 -0.10 -3.47 -0.73 0.00 0.00 179.01 175.06 1hf9 n ASP 39 N -3.56 2.72 -0.02 1.04 2.03 -1.10 -4.72 116.55 112.93 1hf9 n ASP 39 Ca -0.01 -3.47 -0.03 0.00 0.52 0.00 0.00 54.79 51.80 1hf9 n ASP 39 Cb 0.42 -0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 1hf9 n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hf9 n ASP 40 N -1.02 0.86 0.00 1.67 -0.08 -0.89 -5.05 116.55 112.05 1hf9 n ASP 40 Ca 0.25 0.14 0.09 0.00 -1.51 0.00 0.00 54.79 53.76 1hf9 n ASP 40 Cb 0.88 -0.47 0.54 0.00 2.34 0.00 0.00 41.12 44.40 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79