#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 0.25 -4.51 0.00 4.32 -1.26 -4.79 117.00 111.01 1hf9 n LEU 2 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1hf9 n LEU 2 Cb 0.00 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 41.63 1hf9 n LEU 2 CO 0.00 0.00 2.05 1.17 -1.22 0.00 0.00 177.39 179.39 1hf9 n LYS 3 N -0.17 0.12 -0.86 3.23 3.00 -1.26 -4.70 118.16 117.51 1hf9 n LYS 3 Ca 0.00 -0.08 0.07 0.00 -0.00 0.00 0.00 58.31 58.30 1hf9 n LYS 3 Cb 0.00 -1.59 0.40 0.00 0.00 0.00 0.00 35.03 33.84 1hf9 n LYS 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1hf9 n LYS 4 N 7.05 4.74 -0.10 1.64 -0.00 -1.26 -4.23 118.16 126.00 1hf9 n LYS 4 Ca 0.63 -3.14 -0.12 0.00 -0.00 0.00 0.00 58.31 55.69 1hf9 n LYS 4 Cb 0.16 -2.23 -0.15 0.00 -0.00 0.00 0.00 35.03 32.81 1hf9 n LYS 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1hf9 n HIS 5 N 0.58 0.00 -0.00 5.58 -0.00 -1.26 -3.95 115.22 116.17 1hf9 n HIS 5 Ca 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.83 1hf9 n HIS 5 Cb 1.17 -0.97 -0.06 0.00 -0.00 0.00 0.00 29.99 30.13 1hf9 n HIS 5 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1hf9 h HIS 6 N 0.00 0.98 -0.13 4.41 3.86 -1.98 -2.64 115.15 119.65 1hf9 h HIS 6 Ca -0.54 -0.45 -0.11 0.00 -1.16 0.00 0.00 60.37 58.12 1hf9 h HIS 6 Cb 2.14 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 30.45 1hf9 h HIS 6 CO 0.01 1.27 -0.39 0.93 0.86 0.00 0.00 177.93 180.61 1hf9 h GLU 7 N 0.48 0.29 -0.28 2.45 5.08 -1.78 -2.28 114.58 118.54 1hf9 h GLU 7 Ca -0.06 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1hf9 h GLU 7 Cb 1.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1hf9 h GLU 7 CO 0.16 0.64 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.72 1hf9 h ASN 8 N 0.24 0.64 -0.35 1.42 2.35 -1.67 -0.77 115.58 117.44 1hf9 h ASN 8 Ca 0.02 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1hf9 h ASN 8 Cb 0.79 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1hf9 h ASN 8 CO 0.06 0.93 0.21 -0.08 -1.65 0.00 0.00 177.43 176.90 1hf9 h GLU 9 N 0.35 0.47 0.00 0.81 4.81 -1.33 -1.75 114.58 117.94 1hf9 h GLU 9 Ca 0.06 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1hf9 h GLU 9 Cb 0.71 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1hf9 h GLU 9 CO 0.05 0.36 -0.29 -0.84 -0.73 0.00 0.00 179.01 177.56 1hf9 h ILE 10 N 0.45 0.91 -0.70 2.32 3.07 -1.39 -2.46 117.51 119.71 1hf9 h ILE 10 Ca 0.12 -1.11 0.02 0.00 1.55 0.00 0.00 64.86 65.45 1hf9 h ILE 10 Cb 0.01 1.65 -0.04 0.00 -0.27 0.00 0.00 36.82 38.18 1hf9 h ILE 10 CO -0.02 0.28 0.45 -1.28 -1.05 0.00 0.00 178.15 176.53 1hf9 h SER 11 N 0.00 0.76 -0.42 2.16 0.87 -0.25 -0.11 113.55 116.57 1hf9 h SER 11 Ca -0.00 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 1hf9 h SER 11 Cb 0.63 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1hf9 h SER 11 CO 0.04 0.54 -0.24 -0.74 -0.53 0.00 0.00 176.83 175.90 1hf9 h HIS 12 N 0.90 1.07 0.00 2.24 -0.00 -1.05 -2.43 115.15 115.89 1hf9 h HIS 12 Ca 0.27 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1hf9 h HIS 12 Cb -0.04 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1hf9 h HIS 12 CO -0.03 1.07 -0.06 0.45 -0.00 0.00 0.00 177.93 179.36 1hf9 h HIS 13 N 0.80 0.00 0.19 5.26 3.86 -0.90 0.13 115.15 124.49 1hf9 h HIS 13 Ca 0.10 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1hf9 h HIS 13 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1hf9 h HIS 13 CO 0.05 0.06 -0.09 0.00 0.86 0.00 0.00 177.93 178.80 1hf9 h ALA 14 N 1.94 -0.26 0.00 2.45 0.00 -0.56 -1.52 119.26 121.32 1hf9 h ALA 14 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hf9 h ALA 14 Cb 0.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hf9 h ALA 14 CO 0.01 -0.37 0.00 1.63 0.00 0.00 0.00 179.25 180.52 1hf9 n LYS 15 N -4.98 0.03 0.06 0.00 5.02 -1.00 -2.39 118.16 114.90 1hf9 n LYS 15 Ca -0.08 0.29 -0.20 0.00 -2.02 0.00 0.00 58.31 56.31 1hf9 n LYS 15 Cb 0.26 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 1hf9 n LYS 15 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1hf9 h GLU 16 N 0.00 0.30 -0.02 1.97 4.39 -0.57 -2.30 114.58 118.35 1hf9 h GLU 16 Ca 0.00 -0.51 -0.19 0.00 0.34 0.00 0.00 59.36 59.00 1hf9 h GLU 16 Cb 0.26 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1hf9 h GLU 16 CO 0.00 1.18 -0.81 0.97 -1.16 0.00 0.00 179.01 179.19 1hf9 h ILE 17 N 0.08 1.46 0.07 3.13 2.10 -0.99 -0.50 117.51 122.86 1hf9 h ILE 17 Ca -0.31 -2.43 -0.26 0.00 1.08 0.00 0.00 64.86 62.93 1hf9 h ILE 17 Cb 2.06 2.33 0.02 0.00 -1.09 0.00 0.00 36.82 40.14 1hf9 h ILE 17 CO 0.16 0.71 -1.08 -0.33 -1.08 0.00 0.00 178.15 176.53 1hf9 h GLU 18 N 0.14 0.60 0.00 2.19 5.08 -1.61 -2.57 114.58 118.42 1hf9 h GLU 18 Ca -0.04 -0.75 -0.08 0.00 -1.00 0.00 0.00 59.36 57.49 1hf9 h GLU 18 Cb 1.41 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1hf9 h GLU 18 CO 0.13 1.32 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.97 1hf9 h ARG 19 N 0.22 0.00 -0.10 2.33 2.43 -1.45 -2.76 114.38 115.05 1hf9 h ARG 19 Ca -0.16 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.78 1hf9 h ARG 19 Cb 1.76 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.32 1hf9 h ARG 19 CO 0.21 0.40 -0.86 -0.07 -1.51 0.00 0.00 179.97 178.13 1hf9 h LEU 20 N 0.00 0.89 -0.20 3.80 -0.00 -1.11 -2.02 115.31 116.67 1hf9 h LEU 20 Ca -0.00 -0.63 -0.01 0.00 -0.00 0.00 0.00 57.88 57.23 1hf9 h LEU 20 Cb 0.99 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.37 1hf9 h LEU 20 CO 0.05 1.43 0.08 1.56 -0.00 0.00 0.00 178.44 181.55 1hf9 h GLN 21 N 0.47 0.30 -0.07 1.13 4.20 -1.37 -1.63 115.11 118.14 1hf9 h GLN 21 Ca -0.08 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1hf9 h GLN 21 Cb 1.50 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1hf9 h GLN 21 CO 0.17 0.38 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.30 1hf9 h LYS 22 N 0.17 0.10 -0.36 1.46 3.11 -1.54 -2.38 116.57 117.13 1hf9 h LYS 22 Ca 0.07 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.76 1hf9 h LYS 22 Cb 0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1hf9 h LYS 22 CO -0.00 0.30 -0.27 1.49 -2.81 0.00 0.00 179.45 178.16 1hf9 h GLU 23 N 0.10 0.74 -0.55 1.90 4.81 -0.93 -2.63 114.58 118.02 1hf9 h GLU 23 Ca 0.02 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1hf9 h GLU 23 Cb 0.41 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1hf9 h GLU 23 CO 0.03 0.93 0.07 -0.84 -0.73 0.00 0.00 179.01 178.47 1hf9 h ILE 24 N 0.64 1.26 -0.64 2.32 -0.00 -0.80 -2.76 117.51 117.53 1hf9 h ILE 24 Ca 0.08 -0.99 0.03 0.00 -0.00 0.00 0.00 64.86 63.98 1hf9 h ILE 24 Cb 0.78 0.83 -0.04 0.00 -0.00 0.00 0.00 36.82 38.39 1hf9 h ILE 24 CO 0.06 0.36 0.39 -0.08 -0.00 0.00 0.00 178.15 178.88 1hf9 h GLU 25 N 0.81 0.73 -0.21 0.16 4.57 -1.34 -0.67 114.58 118.63 1hf9 h GLU 25 Ca 0.16 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1hf9 h GLU 25 Cb 0.43 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1hf9 h GLU 25 CO 0.01 0.48 -0.07 0.00 -1.18 0.00 0.00 179.01 178.26 1hf9 h ARG 26 N 0.75 -0.02 0.00 1.92 2.47 -1.25 0.90 114.38 119.15 1hf9 h ARG 26 Ca 0.26 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1hf9 h ARG 26 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1hf9 h ARG 26 CO -0.12 -0.01 -0.08 0.45 0.56 0.00 0.00 179.97 180.77 1hf9 h HIS 27 N -0.02 0.00 0.00 3.04 3.86 -1.17 -1.15 115.15 119.71 1hf9 h HIS 27 Ca 0.10 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 1hf9 h HIS 27 Cb 0.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1hf9 h HIS 27 CO -0.23 0.08 -0.55 -0.22 0.86 0.00 0.00 177.93 177.86 1hf9 h LYS 28 N 0.00 0.00 0.04 2.45 3.64 0.67 -2.16 116.57 121.21 1hf9 h LYS 28 Ca -0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1hf9 h LYS 28 Cb 0.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1hf9 h LYS 28 CO 0.01 0.55 -1.03 0.37 -2.27 0.00 0.00 179.45 177.08 1hf9 h GLN 29 N 0.00 0.40 -0.18 1.90 5.75 0.08 -1.25 115.11 121.81 1hf9 h GLN 29 Ca -0.01 -0.48 -0.20 0.00 -0.15 0.00 0.00 58.65 57.81 1hf9 h GLN 29 Cb 1.14 0.15 0.01 0.00 1.07 0.00 0.00 27.48 29.84 1hf9 h GLN 29 CO 0.07 1.16 -0.68 1.03 -2.65 0.00 0.00 178.83 177.76 1hf9 h SER 30 N 0.20 0.91 0.64 -0.69 0.87 -1.44 -0.38 113.55 113.66 1hf9 h SER 30 Ca -0.10 -0.61 -0.17 0.00 -1.23 0.00 0.00 61.79 59.68 1hf9 h SER 30 Cb 1.69 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.37 1hf9 h SER 30 CO 0.18 1.36 -0.77 -0.29 -0.53 0.00 0.00 176.83 176.78 1hf9 h ILE 31 N 0.51 1.50 0.00 2.23 6.09 -1.46 -2.04 117.51 124.35 1hf9 h ILE 31 Ca -0.03 -2.50 -0.08 0.00 -1.37 0.00 0.00 64.86 60.87 1hf9 h ILE 31 Cb 1.30 2.36 -0.01 0.00 0.47 0.00 0.00 36.82 40.94 1hf9 h ILE 31 CO 0.14 0.72 -0.58 0.50 -3.07 0.00 0.00 178.15 175.87 1hf9 h LYS 32 N 0.06 0.00 0.04 2.19 1.63 -1.23 -2.13 116.57 117.12 1hf9 h LYS 32 Ca -0.02 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.52 1hf9 h LYS 32 Cb 1.35 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 1hf9 h LYS 32 CO 0.11 0.32 -1.37 -0.22 -3.45 0.00 0.00 179.45 174.83 1hf9 h LYS 33 N 0.00 0.08 0.00 1.90 3.64 -1.01 -1.93 116.57 119.24 1hf9 h LYS 33 Ca -0.03 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.04 1hf9 h LYS 33 Cb 1.30 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 1hf9 h LYS 33 CO 0.04 0.88 -1.24 -0.07 -2.27 0.00 0.00 179.45 176.79 1hf9 h LEU 34 N 0.02 0.00 0.00 5.20 3.38 -1.45 -2.01 115.31 120.45 1hf9 h LEU 34 Ca -0.16 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 1hf9 h LEU 34 Cb 1.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 1hf9 h LEU 34 CO 0.12 0.71 -1.19 0.50 0.09 0.00 0.00 178.44 178.68 1hf9 h LYS 35 N 0.00 0.00 0.01 1.13 3.11 -1.49 -1.37 116.57 117.95 1hf9 h LYS 35 Ca -0.14 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.44 1hf9 h LYS 35 Cb 1.66 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.85 1hf9 h LYS 35 CO 0.07 0.74 -1.43 0.37 -2.81 0.00 0.00 179.45 176.39 1hf9 h GLN 36 N 0.00 0.01 0.00 1.90 5.75 -1.45 -2.46 115.11 118.86 1hf9 h GLN 36 Ca -0.10 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.25 1hf9 h GLN 36 Cb 1.79 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 30.32 1hf9 h GLN 36 CO 0.10 0.71 -1.02 0.77 -2.65 0.00 0.00 178.83 176.74 1hf9 h SER 37 N 0.00 0.00 0.94 -0.69 0.02 -1.46 -2.64 113.55 109.73 1hf9 h SER 37 Ca -0.18 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 1hf9 h SER 37 Cb 1.92 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.44 1hf9 h SER 37 CO 0.10 0.52 -1.13 -0.08 -1.14 0.00 0.00 176.83 175.10 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.22 -1.35 -1.38 114.58 119.51 1hf9 h GLU 38 Ca -0.09 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.20 1hf9 h GLU 38 Cb 1.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 1hf9 h GLU 38 CO 0.05 0.27 -1.26 0.22 -2.18 0.00 0.00 179.01 176.11 1hf9 h ASP 39 N 0.00 0.00 -1.15 1.04 1.82 -1.53 -3.39 116.42 113.21 1hf9 h ASP 39 Ca -0.10 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.17 1hf9 h ASP 39 Cb 1.42 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.06 1hf9 h ASP 39 CO 0.04 0.55 -1.11 -0.67 -1.61 0.00 0.00 179.24 176.44 1hf9 n ASP 40 N -2.94 0.91 0.00 2.28 -0.08 -0.99 -5.07 116.55 110.66 1hf9 n ASP 40 Ca -0.07 -2.80 0.08 0.00 -1.51 0.00 0.00 54.79 50.49 1hf9 n ASP 40 Cb 0.81 -0.36 0.50 0.00 2.34 0.00 0.00 41.12 44.42 1hf9 n ASP 40 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65