#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 -0.15 0.19 0.00 2.96 -1.26 -5.12 118.68 115.30 1hf9 s LEU 2 Ca 0.00 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1hf9 s LEU 2 Cb 0.00 0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.99 1hf9 s LEU 2 CO 0.00 -0.02 0.00 0.29 -1.32 0.00 0.00 176.35 175.30 1hf9 n LYS 3 N 3.76 -5.71 -0.44 1.98 4.01 -1.26 -4.91 118.16 115.59 1hf9 n LYS 3 Ca 0.05 4.04 0.08 0.00 -0.51 0.00 0.00 58.31 61.98 1hf9 n LYS 3 Cb 0.64 -4.46 0.26 0.00 -0.51 0.00 0.00 35.03 30.95 1hf9 n LYS 3 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1hf9 n LYS 4 N 1.95 2.99 -0.06 1.97 4.01 -1.26 -4.52 118.16 123.24 1hf9 n LYS 4 Ca 0.00 -2.79 -0.05 0.00 -0.51 0.00 0.00 58.31 54.96 1hf9 n LYS 4 Cb 0.00 -1.81 -0.02 0.00 -0.51 0.00 0.00 35.03 32.69 1hf9 n LYS 4 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1hf9 n HIS 5 N -0.38 0.63 0.31 2.13 8.25 -1.26 -3.68 115.22 121.22 1hf9 n HIS 5 Ca 0.21 0.27 0.18 0.00 -0.26 0.00 0.00 57.72 58.12 1hf9 n HIS 5 Cb 0.86 -0.64 1.02 0.00 1.12 0.00 0.00 29.99 32.36 1hf9 n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1hf9 h HIS 6 N -0.85 0.00 -0.17 4.41 3.86 -1.96 -1.45 115.15 118.99 1hf9 h HIS 6 Ca 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1hf9 h HIS 6 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1hf9 h HIS 6 CO -0.22 0.00 -0.44 1.49 0.86 0.00 0.00 177.93 179.62 1hf9 h GLU 7 N 0.00 0.60 -0.47 2.45 4.57 -1.79 -2.31 114.58 117.63 1hf9 h GLU 7 Ca 0.01 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1hf9 h GLU 7 Cb 0.08 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1hf9 h GLU 7 CO -0.00 1.04 0.30 -0.91 -1.18 0.00 0.00 179.01 178.26 1hf9 h ASN 8 N 0.26 0.55 0.05 1.04 2.35 -1.34 0.29 115.58 118.78 1hf9 h ASN 8 Ca -0.01 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1hf9 h ASN 8 Cb 1.05 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1hf9 h ASN 8 CO 0.10 0.42 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.18 1hf9 h GLU 9 N 0.64 -0.08 0.00 0.81 4.57 -1.51 -0.48 114.58 118.52 1hf9 h GLU 9 Ca 0.17 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1hf9 h GLU 9 Cb -0.05 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1hf9 h GLU 9 CO -0.04 -0.06 0.00 0.44 -1.18 0.00 0.00 179.01 178.18 1hf9 n ILE 10 N -5.13 0.94 -0.09 2.32 -5.35 -0.87 -2.07 119.36 109.10 1hf9 n ILE 10 Ca -0.07 0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.53 1hf9 n ILE 10 Cb 0.07 -1.12 -0.04 0.00 -1.74 0.00 0.00 39.64 36.80 1hf9 n ILE 10 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1hf9 h SER 11 N 0.00 0.83 -0.27 7.28 0.87 0.12 -0.50 113.55 121.88 1hf9 h SER 11 Ca 0.00 -0.49 -0.18 0.00 -1.23 0.00 0.00 61.79 59.89 1hf9 h SER 11 Cb 0.30 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1hf9 h SER 11 CO 0.00 1.16 -0.52 -0.74 -0.53 0.00 0.00 176.83 176.20 1hf9 h HIS 12 N 0.52 1.06 0.00 2.24 -0.00 -1.01 -2.80 115.15 115.16 1hf9 h HIS 12 Ca 0.04 -0.37 -0.05 0.00 -0.00 0.00 0.00 60.37 60.00 1hf9 h HIS 12 Cb 0.95 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 1hf9 h HIS 12 CO 0.07 1.19 -0.22 0.45 -0.00 0.00 0.00 177.93 179.41 1hf9 h HIS 13 N 0.66 0.00 -0.05 5.26 3.86 -1.41 -1.79 115.15 121.68 1hf9 h HIS 13 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1hf9 h HIS 13 Cb 1.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1hf9 h HIS 13 CO 0.07 0.22 -0.02 0.00 0.86 0.00 0.00 177.93 179.06 1hf9 h ALA 14 N 1.78 0.07 0.00 2.45 0.00 -0.84 -1.77 119.26 120.95 1hf9 h ALA 14 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hf9 h ALA 14 Cb 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hf9 h ALA 14 CO 0.03 -0.21 -0.02 0.87 0.00 0.00 0.00 179.25 179.93 1hf9 h LYS 15 N -0.26 0.00 0.06 0.00 1.57 -1.25 -1.69 116.57 115.00 1hf9 h LYS 15 Ca 0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 1hf9 h LYS 15 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.76 1hf9 h LYS 15 CO 0.01 0.02 -0.94 0.93 -0.57 0.00 0.00 179.45 178.90 1hf9 h GLU 16 N 0.00 0.53 0.00 3.15 4.39 -1.00 -1.32 114.58 120.32 1hf9 h GLU 16 Ca -0.00 -0.65 -0.11 0.00 0.34 0.00 0.00 59.36 58.94 1hf9 h GLU 16 Cb 0.38 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1hf9 h GLU 16 CO 0.00 1.26 -0.53 0.97 -1.16 0.00 0.00 179.01 179.56 1hf9 h ILE 17 N 0.09 0.97 0.06 3.13 -0.00 -1.12 -2.27 117.51 118.37 1hf9 h ILE 17 Ca -0.13 -2.18 -0.24 0.00 -0.00 0.00 0.00 64.86 62.30 1hf9 h ILE 17 Cb 1.64 2.35 -0.01 0.00 -0.00 0.00 0.00 36.82 40.79 1hf9 h ILE 17 CO 0.18 0.52 -1.13 -0.08 -0.00 0.00 0.00 178.15 177.64 1hf9 h GLU 18 N 0.00 0.14 -0.05 2.19 4.81 -1.37 -1.90 114.58 118.39 1hf9 h GLU 18 Ca -0.01 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1hf9 h GLU 18 Cb 1.30 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1hf9 h GLU 18 CO 0.07 1.11 -0.18 -0.09 -0.73 0.00 0.00 179.01 179.19 1hf9 h ARG 19 N 0.04 0.21 -0.53 1.92 2.43 -1.22 -2.08 114.38 115.14 1hf9 h ARG 19 Ca -0.07 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 1hf9 h ARG 19 Cb 1.87 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 1hf9 h ARG 19 CO 0.17 0.79 0.04 -0.07 -1.51 0.00 0.00 179.97 179.38 1hf9 h LEU 20 N -0.33 0.84 -1.30 3.80 -0.00 -1.51 -2.23 115.31 114.58 1hf9 h LEU 20 Ca -0.01 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 1hf9 h LEU 20 Cb 0.81 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1hf9 h LEU 20 CO 0.04 0.88 0.16 -0.61 -0.00 0.00 0.00 178.44 178.90 1hf9 h GLN 21 N 0.82 0.63 0.10 1.13 -0.00 -1.34 -2.22 115.11 114.23 1hf9 h GLN 21 Ca 0.16 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1hf9 h GLN 21 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1hf9 h GLN 21 CO 0.02 0.54 -0.05 -0.22 0.00 0.00 0.00 178.83 179.12 1hf9 h LYS 22 N 0.63 -0.13 -0.65 1.69 3.64 -0.76 -0.85 116.57 120.15 1hf9 h LYS 22 Ca 0.15 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1hf9 h LYS 22 Cb 0.16 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1hf9 h LYS 22 CO -0.01 -0.02 0.36 1.49 -2.27 0.00 0.00 179.45 179.00 1hf9 h GLU 23 N -0.20 0.65 0.00 1.90 4.81 -1.25 0.53 114.58 121.02 1hf9 h GLU 23 Ca -0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1hf9 h GLU 23 Cb 0.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1hf9 h GLU 23 CO 0.02 0.43 -0.12 -0.84 -0.73 0.00 0.00 179.01 177.77 1hf9 h ILE 24 N 0.67 1.00 -0.34 2.32 -0.00 -1.17 -1.48 117.51 118.51 1hf9 h ILE 24 Ca 0.29 -0.43 -0.10 0.00 -0.00 0.00 0.00 64.86 64.62 1hf9 h ILE 24 Cb 0.18 1.24 -0.01 0.00 -0.00 0.00 0.00 36.82 38.22 1hf9 h ILE 24 CO -0.18 0.12 -0.21 -0.08 -0.00 0.00 0.00 178.15 177.80 1hf9 h GLU 25 N 0.00 0.65 0.32 0.16 4.81 0.57 0.16 114.58 121.26 1hf9 h GLU 25 Ca -0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1hf9 h GLU 25 Cb 0.23 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1hf9 h GLU 25 CO 0.02 0.81 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.86 1hf9 h ARG 26 N 0.58 -0.42 0.00 1.92 1.12 -0.64 0.72 114.38 117.66 1hf9 h ARG 26 Ca 0.09 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.97 1hf9 h ARG 26 Cb 0.67 0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.73 1hf9 h ARG 26 CO 0.05 -0.20 -0.08 0.45 -3.11 0.00 0.00 179.97 177.08 1hf9 h HIS 27 N -0.56 0.00 0.00 2.20 3.86 -1.44 -1.26 115.15 117.95 1hf9 h HIS 27 Ca -0.04 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 1hf9 h HIS 27 Cb 0.41 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1hf9 h HIS 27 CO -0.02 0.08 -0.42 -0.22 0.86 0.00 0.00 177.93 178.21 1hf9 h LYS 28 N 0.00 0.00 -0.02 2.45 3.64 -0.28 -2.72 116.57 119.64 1hf9 h LYS 28 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1hf9 h LYS 28 Cb 0.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1hf9 h LYS 28 CO 0.01 0.42 -0.71 0.37 -2.27 0.00 0.00 179.45 177.27 1hf9 h GLN 29 N 0.00 0.51 -0.37 1.90 4.15 0.34 -1.24 115.11 120.40 1hf9 h GLN 29 Ca -0.00 -0.53 -0.06 0.00 0.77 0.00 0.00 58.65 58.83 1hf9 h GLN 29 Cb 1.21 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 1hf9 h GLN 29 CO 0.05 1.16 -0.01 0.77 -1.93 0.00 0.00 178.83 178.87 1hf9 h SER 30 N 0.07 0.65 0.27 -0.69 0.02 -1.55 -0.95 113.55 111.38 1hf9 h SER 30 Ca -0.08 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 1hf9 h SER 30 Cb 1.39 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1hf9 h SER 30 CO 0.14 0.81 -0.49 -0.29 -1.14 0.00 0.00 176.83 175.86 1hf9 h ILE 31 N 0.48 1.34 0.00 3.27 6.09 -1.56 -2.62 117.51 124.50 1hf9 h ILE 31 Ca 0.10 -1.71 0.00 0.00 -1.37 0.00 0.00 64.86 61.89 1hf9 h ILE 31 Cb 0.48 1.81 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1hf9 h ILE 31 CO 0.02 0.51 0.00 0.11 -3.07 0.00 0.00 178.15 175.72 1hf9 h LYS 32 N 0.20 0.00 0.23 2.19 1.57 -1.08 -2.13 116.57 117.55 1hf9 h LYS 32 Ca 0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 1hf9 h LYS 32 Cb 0.94 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.28 1hf9 h LYS 32 CO 0.08 0.00 -1.34 -0.22 -0.57 0.00 0.00 179.45 177.40 1hf9 h LYS 33 N 0.00 0.49 0.00 3.15 3.11 -0.82 -1.50 116.57 121.00 1hf9 h LYS 33 Ca 0.00 -0.83 -0.09 0.00 -2.81 0.00 0.00 60.65 56.92 1hf9 h LYS 33 Cb 0.81 0.31 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1hf9 h LYS 33 CO 0.00 1.40 -0.47 -0.07 -2.81 0.00 0.00 179.45 177.50 1hf9 h LEU 34 N 0.02 0.00 0.00 5.20 3.38 -1.51 -2.41 115.31 119.99 1hf9 h LEU 34 Ca -0.24 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 1hf9 h LEU 34 Cb 2.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.77 1hf9 h LEU 34 CO 0.25 0.43 -1.09 0.50 0.09 0.00 0.00 178.44 178.62 1hf9 h LYS 35 N 0.00 0.00 0.08 1.13 3.64 -1.48 -3.07 116.57 116.87 1hf9 h LYS 35 Ca -0.01 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.11 1hf9 h LYS 35 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1hf9 h LYS 35 CO 0.06 0.46 -1.27 1.96 -2.27 0.00 0.00 179.45 178.39 1hf9 h GLN 36 N 0.00 0.17 0.00 1.90 4.20 -1.28 -3.17 115.11 116.93 1hf9 h GLN 36 Ca -0.10 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.23 1hf9 h GLN 36 Cb 1.58 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 1hf9 h GLN 36 CO 0.07 1.08 -0.43 0.77 -0.67 0.00 0.00 178.83 179.65 1hf9 h SER 37 N 0.05 0.00 1.05 1.46 0.02 -1.54 0.98 113.55 115.57 1hf9 h SER 37 Ca -0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.69 1hf9 h SER 37 Cb 1.93 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.45 1hf9 h SER 37 CO 0.16 0.43 -0.60 -0.08 -1.14 0.00 0.00 176.83 175.60 1hf9 h GLU 38 N 0.00 0.00 0.00 3.45 4.81 -1.59 -3.30 114.58 117.95 1hf9 h GLU 38 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1hf9 h GLU 38 Cb 1.08 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.31 1hf9 h GLU 38 CO 0.06 0.60 -0.64 -3.47 -0.73 0.00 0.00 179.01 174.82 1hf9 n ASP 39 N -3.43 1.26 -4.70 1.04 -0.08 -1.16 -5.09 116.55 104.39 1hf9 n ASP 39 Ca 0.00 -2.78 -0.37 0.00 -1.51 0.00 0.00 54.79 50.13 1hf9 n ASP 39 Cb 0.70 -0.38 0.07 0.00 2.34 0.00 0.00 41.12 43.85 1hf9 n ASP 39 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1hf9 n ASP 40 N -0.37 1.75 0.00 1.67 -0.08 0.34 -4.98 116.55 114.88 1hf9 n ASP 40 Ca 0.11 0.81 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 1hf9 n ASP 40 Cb 0.86 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.80 1hf9 n ASP 40 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79