#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 -4.58 0.00 4.32 -1.26 -5.13 117.00 110.35 1hf9 n LEU 2 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 1hf9 n LEU 2 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1hf9 n LEU 2 CO 0.00 0.00 0.51 0.29 -1.22 0.00 0.00 177.39 176.97 1hf9 n LYS 3 N 0.00 1.25 0.02 3.23 5.02 -1.26 -4.91 118.16 121.52 1hf9 n LYS 3 Ca 0.00 0.44 0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1hf9 n LYS 3 Cb 0.00 -1.87 -0.09 0.00 -0.02 0.00 0.00 35.03 33.05 1hf9 n LYS 3 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hf9 n LYS 4 N 0.51 0.63 0.11 1.97 4.76 -1.26 -3.23 118.16 121.65 1hf9 n LYS 4 Ca 0.10 0.15 -0.22 0.00 -2.87 0.00 0.00 58.31 55.47 1hf9 n LYS 4 Cb 0.35 -1.76 -0.14 0.00 -1.84 0.00 0.00 35.03 31.65 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 0.00 0.91 -0.14 2.13 2.07 -1.99 -2.63 115.15 115.49 1hf9 h HIS 5 Ca -0.17 -0.61 -0.18 0.00 -2.85 0.00 0.00 60.37 56.56 1hf9 h HIS 5 Cb 1.53 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 31.45 1hf9 h HIS 5 CO 0.00 1.46 -0.65 0.45 -3.07 0.00 0.00 177.93 176.12 1hf9 h HIS 6 N 0.20 0.70 -0.22 6.12 3.86 -1.97 -2.70 115.15 121.14 1hf9 h HIS 6 Ca -0.20 -0.28 -0.13 0.00 -1.16 0.00 0.00 60.37 58.60 1hf9 h HIS 6 Cb 2.00 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 30.34 1hf9 h HIS 6 CO 0.11 1.04 -0.42 1.05 0.86 0.00 0.00 177.93 180.57 1hf9 h GLU 7 N 0.39 0.53 -0.34 2.45 4.11 -1.63 -2.37 114.58 117.72 1hf9 h GLU 7 Ca -0.02 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.11 1hf9 h GLU 7 Cb 1.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1hf9 h GLU 7 CO 0.12 0.86 0.11 -0.97 0.07 0.00 0.00 179.01 179.19 1hf9 h ASN 8 N 0.44 0.50 0.07 3.06 -1.24 -1.41 0.16 115.58 117.16 1hf9 h ASN 8 Ca 0.04 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 1hf9 h ASN 8 Cb 0.92 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.83 1hf9 h ASN 8 CO 0.08 0.58 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.67 1hf9 h GLU 9 N 0.40 -0.11 0.00 6.67 4.57 -1.39 -0.65 114.58 124.08 1hf9 h GLU 9 Ca 0.11 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1hf9 h GLU 9 Cb 0.25 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1hf9 h GLU 9 CO -0.00 -0.07 0.00 0.44 -1.18 0.00 0.00 179.01 178.20 1hf9 n ILE 10 N -5.15 0.94 -0.03 2.32 -5.35 -0.90 -2.03 119.36 109.17 1hf9 n ILE 10 Ca -0.08 0.24 -0.15 0.00 -0.27 0.00 0.00 62.75 62.50 1hf9 n ILE 10 Cb 0.08 -1.06 -0.04 0.00 -1.74 0.00 0.00 39.64 36.88 1hf9 n ILE 10 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1hf9 h SER 11 N 0.00 0.88 -0.15 7.28 0.02 0.89 -1.24 113.55 121.23 1hf9 h SER 11 Ca 0.00 -0.53 -0.19 0.00 -0.84 0.00 0.00 61.79 60.22 1hf9 h SER 11 Cb 0.29 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1hf9 h SER 11 CO 0.00 1.32 -0.67 -0.74 -1.14 0.00 0.00 176.83 175.60 1hf9 h HIS 12 N 0.55 0.95 -0.20 3.45 -0.00 -0.96 -2.86 115.15 116.07 1hf9 h HIS 12 Ca -0.02 -0.41 -0.02 0.00 -0.00 0.00 0.00 60.37 59.91 1hf9 h HIS 12 Cb 1.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 1hf9 h HIS 12 CO 0.07 1.23 0.01 0.45 -0.00 0.00 0.00 177.93 179.70 1hf9 h HIS 13 N 0.41 0.28 0.35 5.26 3.86 -1.43 -1.75 115.15 122.13 1hf9 h HIS 13 Ca -0.04 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1hf9 h HIS 13 Cb 1.30 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1hf9 h HIS 13 CO 0.10 0.29 -0.17 0.00 0.86 0.00 0.00 177.93 179.01 1hf9 h ALA 14 N 1.74 -0.47 -0.02 2.45 0.00 -1.13 -1.46 119.26 120.37 1hf9 h ALA 14 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1hf9 h ALA 14 Cb 0.17 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hf9 h ALA 14 CO 0.00 -0.63 0.06 0.87 0.00 0.00 0.00 179.25 179.55 1hf9 h LYS 15 N -0.73 0.00 0.04 0.00 1.57 -1.27 -1.46 116.57 114.72 1hf9 h LYS 15 Ca -0.05 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1hf9 h LYS 15 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 1hf9 h LYS 15 CO 0.08 0.00 -0.82 1.49 -0.57 0.00 0.00 179.45 179.63 1hf9 h GLU 16 N 0.00 0.49 0.00 3.15 4.57 -0.82 -2.43 114.58 119.54 1hf9 h GLU 16 Ca 0.01 -0.57 -0.09 0.00 -1.18 0.00 0.00 59.36 57.52 1hf9 h GLU 16 Cb 0.13 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1hf9 h GLU 16 CO -0.00 1.21 -0.43 -0.84 -1.18 0.00 0.00 179.01 177.77 1hf9 h ILE 17 N 0.02 1.10 -0.03 2.32 -0.00 -0.27 -2.24 117.51 118.41 1hf9 h ILE 17 Ca -0.11 -1.59 -0.25 0.00 -0.00 0.00 0.00 64.86 62.91 1hf9 h ILE 17 Cb 1.53 1.91 0.02 0.00 -0.00 0.00 0.00 36.82 40.27 1hf9 h ILE 17 CO 0.16 0.42 -0.97 -0.08 -0.00 0.00 0.00 178.15 177.68 1hf9 h GLU 18 N 0.00 0.67 -0.37 0.16 4.22 -1.41 -2.30 114.58 115.55 1hf9 h GLU 18 Ca -0.00 -0.68 -0.06 0.00 0.08 0.00 0.00 59.36 58.70 1hf9 h GLU 18 Cb 0.87 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1hf9 h GLU 18 CO 0.06 1.27 0.01 -0.09 -2.18 0.00 0.00 179.01 178.08 1hf9 h ARG 19 N 0.40 0.65 -0.53 1.92 2.43 -1.31 -1.47 114.38 116.48 1hf9 h ARG 19 Ca -0.11 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1hf9 h ARG 19 Cb 1.62 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 1hf9 h ARG 19 CO 0.19 0.75 0.10 1.25 -1.51 0.00 0.00 179.97 180.75 1hf9 h LEU 20 N 0.48 0.77 -1.29 3.80 7.12 -1.46 -1.80 115.31 122.93 1hf9 h LEU 20 Ca 0.11 -0.15 -0.07 0.00 0.13 0.00 0.00 57.88 57.90 1hf9 h LEU 20 Cb 0.45 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1hf9 h LEU 20 CO 0.02 0.77 -0.35 1.56 -0.13 0.00 0.00 178.44 180.31 1hf9 h GLN 21 N 0.79 0.00 -0.24 1.25 4.20 -1.17 -2.73 115.11 117.21 1hf9 h GLN 21 Ca 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1hf9 h GLN 21 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1hf9 h GLN 21 CO 0.00 0.35 0.02 -0.22 -0.67 0.00 0.00 178.83 178.31 1hf9 h LYS 22 N 0.00 0.42 -0.32 1.46 1.63 -0.40 -1.79 116.57 117.56 1hf9 h LYS 22 Ca -0.00 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1hf9 h LYS 22 Cb 0.64 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1hf9 h LYS 22 CO 0.05 0.57 0.20 1.49 -3.45 0.00 0.00 179.45 178.31 1hf9 h GLU 23 N 0.20 0.40 -0.79 1.90 4.57 -1.28 -1.71 114.58 117.87 1hf9 h GLU 23 Ca 0.07 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1hf9 h GLU 23 Cb 0.37 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 1hf9 h GLU 23 CO 0.01 0.27 0.52 -0.84 -1.18 0.00 0.00 179.01 177.79 1hf9 h ILE 24 N 0.41 1.11 -0.94 2.32 -0.00 -1.42 -1.08 117.51 117.92 1hf9 h ILE 24 Ca 0.12 -0.33 -0.00 0.00 -0.00 0.00 0.00 64.86 64.65 1hf9 h ILE 24 Cb -0.03 0.07 -0.05 0.00 -0.00 0.00 0.00 36.82 36.82 1hf9 h ILE 24 CO -0.04 0.17 0.57 -0.33 -0.00 0.00 0.00 178.15 178.53 1hf9 h GLU 25 N 0.95 1.28 -0.40 0.16 5.08 -0.47 -0.65 114.58 120.53 1hf9 h GLU 25 Ca 0.32 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1hf9 h GLU 25 Cb 0.09 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1hf9 h GLU 25 CO -0.10 0.89 0.14 -0.09 -1.00 0.00 0.00 179.01 178.85 1hf9 h ARG 26 N 1.30 0.29 0.00 2.33 1.12 -0.40 0.19 114.38 119.21 1hf9 h ARG 26 Ca 0.34 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.15 1hf9 h ARG 26 Cb -0.06 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.82 1hf9 h ARG 26 CO -0.06 0.19 -0.19 1.25 -3.11 0.00 0.00 179.97 178.05 1hf9 h HIS 27 N 0.30 0.00 0.00 2.20 2.76 -1.17 -1.72 115.15 117.53 1hf9 h HIS 27 Ca 0.18 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1hf9 h HIS 27 Cb 0.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1hf9 h HIS 27 CO -0.15 0.19 -0.41 -0.22 -1.30 0.00 0.00 177.93 176.04 1hf9 h LYS 28 N 0.00 0.00 -0.03 5.26 3.64 0.84 -2.20 116.57 124.08 1hf9 h LYS 28 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1hf9 h LYS 28 Cb 0.46 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1hf9 h LYS 28 CO 0.02 0.41 -0.54 0.37 -2.27 0.00 0.00 179.45 177.44 1hf9 h GLN 29 N 0.00 0.42 -0.49 1.90 4.15 -0.11 -1.24 115.11 119.75 1hf9 h GLN 29 Ca -0.00 -0.41 -0.07 0.00 0.77 0.00 0.00 58.65 58.93 1hf9 h GLN 29 Cb 0.93 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1hf9 h GLN 29 CO 0.05 1.07 0.03 0.66 -1.93 0.00 0.00 178.83 178.71 1hf9 h SER 30 N -0.07 0.83 0.35 -0.69 4.64 -1.47 -1.25 113.55 115.89 1hf9 h SER 30 Ca -0.06 -0.29 -0.14 0.00 -0.47 0.00 0.00 61.79 60.83 1hf9 h SER 30 Cb 1.24 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1hf9 h SER 30 CO 0.11 0.92 -0.56 -0.29 -0.87 0.00 0.00 176.83 176.14 1hf9 h ILE 31 N 0.72 1.37 0.00 0.95 6.09 -1.47 -2.62 117.51 122.55 1hf9 h ILE 31 Ca 0.14 -1.89 -0.01 0.00 -1.37 0.00 0.00 64.86 61.74 1hf9 h ILE 31 Cb 0.48 1.94 -0.00 0.00 0.47 0.00 0.00 36.82 39.70 1hf9 h ILE 31 CO 0.02 0.56 -0.05 0.11 -3.07 0.00 0.00 178.15 175.72 1hf9 h LYS 32 N 0.17 0.00 0.18 2.19 1.79 -1.04 -1.41 116.57 118.45 1hf9 h LYS 32 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1hf9 h LYS 32 Cb 1.04 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1hf9 h LYS 32 CO 0.09 0.05 -1.59 -0.22 -1.08 0.00 0.00 179.45 176.69 1hf9 h LYS 33 N 0.00 0.37 0.00 3.15 3.64 -0.99 -1.61 116.57 121.13 1hf9 h LYS 33 Ca -0.00 -0.64 -0.05 0.00 -1.27 0.00 0.00 60.65 58.69 1hf9 h LYS 33 Cb 0.84 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1hf9 h LYS 33 CO 0.01 1.28 -0.64 1.25 -2.27 0.00 0.00 179.45 179.07 1hf9 h LEU 34 N 0.10 0.00 0.00 5.20 5.85 -1.50 -2.35 115.31 122.61 1hf9 h LEU 34 Ca -0.28 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.24 1hf9 h LEU 34 Cb 2.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 1hf9 h LEU 34 CO 0.20 0.22 -1.44 0.50 -0.34 0.00 0.00 178.44 177.58 1hf9 h LYS 35 N 0.00 0.00 0.05 1.25 3.64 -1.37 -3.12 116.57 117.02 1hf9 h LYS 35 Ca -0.03 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.09 1hf9 h LYS 35 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1hf9 h LYS 35 CO 0.02 0.39 -1.31 0.37 -2.27 0.00 0.00 179.45 176.65 1hf9 h GLN 36 N 0.00 0.10 0.00 1.90 4.15 -1.36 -3.23 115.11 116.68 1hf9 h GLN 36 Ca -0.19 -0.18 -0.09 0.00 0.77 0.00 0.00 58.65 58.97 1hf9 h GLN 36 Cb 1.71 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.46 1hf9 h GLN 36 CO 0.06 0.96 -0.43 0.66 -1.93 0.00 0.00 178.83 178.15 1hf9 h SER 37 N 0.03 0.00 0.73 -0.69 4.64 -1.55 1.20 113.55 117.90 1hf9 h SER 37 Ca -0.14 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1hf9 h SER 37 Cb 1.91 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.98 1hf9 h SER 37 CO 0.14 0.43 -0.68 -0.08 -0.87 0.00 0.00 176.83 175.77 1hf9 h GLU 38 N 0.00 0.00 -0.51 4.77 4.81 -1.61 -3.35 114.58 118.69 1hf9 h GLU 38 Ca -0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1hf9 h GLU 38 Cb 1.12 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.16 1hf9 h GLU 38 CO 0.06 0.68 -0.95 -3.47 -0.73 0.00 0.00 179.01 174.60 1hf9 n ASP 39 N -3.68 0.73 -4.57 1.04 2.03 -1.17 -5.11 116.55 105.82 1hf9 n ASP 39 Ca -0.01 -2.32 -0.42 0.00 0.52 0.00 0.00 54.79 52.56 1hf9 n ASP 39 Cb 0.68 -0.17 0.01 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.56 0.75 -0.92 1.67 2.03 0.41 -4.93 116.55 115.02 1hf9 n ASP 40 Ca 0.03 1.03 0.12 0.00 0.52 0.00 0.00 54.79 56.49 1hf9 n ASP 40 Cb 0.82 -1.28 0.14 0.00 -0.72 0.00 0.00 41.12 40.08 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75