#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r48 n GLY 2 N 0.00 1.77 5.30 0.00 0.00 -1.26 -5.10 105.19 105.90 1r48 n GLY 2 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1r48 n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r48 n GLY 3 N 0.00 0.46 1.23 -0.02 0.00 -1.26 -3.57 105.19 102.04 1r48 n GLY 3 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.19 1r48 n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r48 n ASP 4 N 5.02 3.58 -0.06 1.61 9.92 -1.26 -4.33 116.55 131.03 1r48 n ASP 4 Ca 0.00 -2.33 0.23 0.00 -0.53 0.00 0.00 54.79 52.16 1r48 n ASP 4 Cb 0.00 -0.49 0.71 0.00 -0.64 0.00 0.00 41.12 40.70 1r48 n ASP 4 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1r48 h ASN 5 N 2.94 0.00 0.07 -2.24 -0.00 -2.00 0.78 115.58 115.12 1r48 h ASN 5 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 56.16 1r48 h ASN 5 Cb 1.13 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.46 1r48 h ASN 5 CO 0.18 0.00 -0.59 0.40 -0.00 0.00 0.00 177.43 177.41 1r48 h ILE 6 N 0.00 1.52 -0.17 2.57 5.03 -1.89 -3.05 117.51 121.51 1r48 h ILE 6 Ca 0.31 -2.30 0.05 0.00 -0.12 0.00 0.00 64.86 62.80 1r48 h ILE 6 Cb 1.28 2.98 -0.01 0.00 -3.03 0.00 0.00 36.82 38.05 1r48 h ILE 6 CO -0.00 0.65 0.26 -0.08 -0.68 0.00 0.00 178.15 178.30 1r48 h GLU 7 N -0.37 0.00 0.21 2.37 4.81 -1.18 0.40 114.58 120.81 1r48 h GLU 7 Ca -0.09 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.85 1r48 h GLU 7 Cb 1.39 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.80 1r48 h GLU 7 CO 0.11 0.00 -1.27 0.37 -0.73 0.00 0.00 179.01 177.50 1r48 h GLN 8 N 0.00 0.43 -0.58 1.92 5.75 -1.30 -3.02 115.11 118.31 1r48 h GLN 8 Ca 0.08 -0.74 -0.01 0.00 -0.15 0.00 0.00 58.65 57.83 1r48 h GLN 8 Cb 0.60 0.28 -0.03 0.00 1.07 0.00 0.00 27.48 29.40 1r48 h GLN 8 CO -0.00 1.36 0.32 0.87 -2.65 0.00 0.00 178.83 178.72 1r48 h LYS 9 N -0.06 0.80 -0.25 1.69 1.57 -0.86 -2.61 116.57 116.86 1r48 h LYS 9 Ca -0.23 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1r48 h LYS 9 Cb 1.96 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.10 1r48 h LYS 9 CO 0.22 0.59 -0.17 -0.84 -0.57 0.00 0.00 179.45 178.68 1r48 h ILE 10 N 0.81 1.31 -1.03 1.86 3.07 -1.35 -2.81 117.51 119.38 1r48 h ILE 10 Ca 0.21 -1.29 0.27 0.00 1.55 0.00 0.00 64.86 65.60 1r48 h ILE 10 Cb 0.02 1.61 -0.07 0.00 -0.27 0.00 0.00 36.82 38.11 1r48 h ILE 10 CO -0.03 0.40 0.69 -0.78 -1.05 0.00 0.00 178.15 177.38 1r48 h ASP 11 N 0.26 0.29 -0.17 2.16 3.58 -1.33 0.62 116.42 121.83 1r48 h ASP 11 Ca 0.05 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 1r48 h ASP 11 Cb 0.69 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 1r48 h ASP 11 CO 0.05 0.07 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.63 1r48 h ASP 12 N 0.27 0.36 0.01 2.28 1.82 -1.35 -2.91 116.42 116.89 1r48 h ASP 12 Ca 0.54 -0.39 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1r48 h ASP 12 Cb 1.63 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.54 1r48 h ASP 12 CO -0.18 0.67 -0.00 0.40 -1.61 0.00 0.00 179.24 178.51 1r48 h ILE 13 N 0.04 1.00 -1.10 2.25 2.04 0.24 -1.97 117.51 120.00 1r48 h ILE 13 Ca 0.04 -0.03 0.31 0.00 1.00 0.00 0.00 64.86 66.19 1r48 h ILE 13 Cb 0.53 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1r48 h ILE 13 CO 0.02 0.01 0.77 -0.78 0.00 0.00 0.00 178.15 178.17 1r48 h ASP 14 N -0.02 0.11 0.93 1.72 3.58 -0.45 1.39 116.42 123.68 1r48 h ASP 14 Ca -0.00 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 1r48 h ASP 14 Cb 0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1r48 h ASP 14 CO 0.00 0.02 -0.61 -0.74 -2.88 0.00 0.00 179.24 175.04 1r48 h HIS 15 N 0.09 0.00 0.15 0.28 2.76 -1.16 -2.94 115.15 114.32 1r48 h HIS 15 Ca 0.55 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 58.39 1r48 h HIS 15 Cb 1.99 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.95 1r48 h HIS 15 CO -0.00 0.61 -1.66 0.93 -1.30 0.00 0.00 177.93 176.50 1r48 h GLU 16 N 0.00 0.31 -0.30 5.26 5.08 0.19 -2.91 114.58 122.20 1r48 h GLU 16 Ca -0.01 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1r48 h GLU 16 Cb 1.23 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1r48 h GLU 16 CO 0.08 1.19 0.16 0.82 -1.00 0.00 0.00 179.01 180.26 1r48 h ILE 17 N 0.08 1.10 0.16 3.13 2.04 -0.08 -2.39 117.51 121.56 1r48 h ILE 17 Ca -0.30 -0.26 -0.30 0.00 1.00 0.00 0.00 64.86 65.00 1r48 h ILE 17 Cb 2.06 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1r48 h ILE 17 CO 0.16 0.11 -1.40 0.00 0.00 0.00 0.00 178.15 177.02 1r48 h ALA 18 N 1.76 0.07 -0.54 1.87 0.00 -1.62 -3.10 119.26 117.70 1r48 h ALA 18 Ca 0.11 -0.95 0.07 0.00 0.00 0.00 0.00 54.91 54.15 1r48 h ALA 18 Cb 0.02 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1r48 h ALA 18 CO -0.02 0.94 0.21 0.22 0.00 0.00 0.00 179.25 180.60 1r48 h ASP 19 N 0.09 0.22 0.07 0.00 3.58 -1.23 -0.84 116.42 118.32 1r48 h ASP 19 Ca -0.20 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 1r48 h ASP 19 Cb 2.04 0.04 0.00 0.00 1.72 0.00 0.00 39.33 43.13 1r48 h ASP 19 CO 0.21 0.15 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.62 1r48 h LEU 20 N 0.40 -0.08 -1.64 2.28 3.38 -1.60 -2.76 115.31 115.29 1r48 h LEU 20 Ca 0.26 -0.32 0.24 0.00 0.09 0.00 0.00 57.88 58.15 1r48 h LEU 20 Cb 0.28 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1r48 h LEU 20 CO -0.26 0.29 0.64 -0.61 0.09 0.00 0.00 178.44 178.59 1r48 h GLN 21 N -0.46 0.26 -0.02 1.13 4.15 -1.40 0.50 115.11 119.29 1r48 h GLN 21 Ca -0.01 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 1r48 h GLN 21 Cb 0.40 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1r48 h GLN 21 CO 0.02 0.17 -0.65 0.00 -1.93 0.00 0.00 178.83 176.44 1r48 h ALA 22 N 1.58 0.89 -0.10 3.38 0.00 -1.01 -2.95 119.26 121.05 1r48 h ALA 22 Ca 0.49 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1r48 h ALA 22 Cb 1.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1r48 h ALA 22 CO -0.15 0.79 -0.42 0.87 0.00 0.00 0.00 179.25 180.34 1r48 h LYS 23 N 0.05 0.23 -0.11 0.00 1.57 0.28 -2.40 116.57 116.19 1r48 h LYS 23 Ca -0.01 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1r48 h LYS 23 Cb 1.15 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1r48 h LYS 23 CO 0.09 0.61 -0.24 0.00 -0.57 0.00 0.00 179.45 179.34 1r48 h ARG 24 N 0.19 0.36 0.37 3.15 3.08 -1.31 -2.85 114.38 117.37 1r48 h ARG 24 Ca 0.02 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1r48 h ARG 24 Cb 0.83 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1r48 h ARG 24 CO 0.06 0.84 -0.18 1.15 -1.07 0.00 0.00 179.97 180.78 1r48 h THR 25 N -0.08 0.64 -0.65 2.04 2.02 -1.49 -1.41 112.91 113.98 1r48 h THR 25 Ca 0.00 -0.10 0.13 0.00 0.77 0.00 0.00 66.41 67.21 1r48 h THR 25 Cb 0.84 0.69 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 1r48 h THR 25 CO 0.05 0.02 0.15 0.08 0.37 0.00 0.00 175.52 176.20 1r48 h ARG 26 N -0.55 0.27 -0.67 6.66 0.11 -1.53 0.36 114.38 119.02 1r48 h ARG 26 Ca -0.05 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.02 1r48 h ARG 26 Cb 0.42 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 1r48 h ARG 26 CO 0.08 0.18 0.44 -0.07 0.10 0.00 0.00 179.97 180.70 1r48 h LEU 27 N 0.28 0.77 -0.46 0.08 4.07 -1.32 -1.80 115.31 116.94 1r48 h LEU 27 Ca 0.35 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.25 1r48 h LEU 27 Cb 0.54 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1r48 h LEU 27 CO -0.43 0.56 0.14 0.58 -1.08 0.00 0.00 178.44 178.21 1r48 h VAL 28 N 0.91 1.22 -0.73 1.22 2.07 0.74 -1.67 116.25 120.02 1r48 h VAL 28 Ca 0.25 -0.74 0.21 0.00 0.82 0.00 0.00 66.70 67.24 1r48 h VAL 28 Cb -0.10 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1r48 h VAL 28 CO -0.05 0.27 0.57 1.56 0.02 0.00 0.00 177.57 179.93 1r48 h GLN 29 N 0.60 0.00 0.00 1.57 4.20 -0.10 1.00 115.11 122.39 1r48 h GLN 29 Ca 0.15 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1r48 h GLN 29 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1r48 h GLN 29 CO -0.00 0.00 -0.86 0.37 -0.67 0.00 0.00 178.83 177.66 1r48 h GLN 30 N 0.00 0.13 -2.03 1.46 -0.00 -1.09 -3.37 115.11 110.21 1r48 h GLN 30 Ca 0.35 -0.14 -0.50 0.00 -0.00 0.00 0.00 58.65 58.36 1r48 h GLN 30 Cb 1.48 0.04 -0.40 0.00 0.00 0.00 0.00 27.48 28.60 1r48 h GLN 30 CO -0.00 0.91 -1.14 -2.39 0.00 0.00 0.00 178.83 176.20 1r48 n HIS 31 N -3.62 0.53 0.10 3.99 1.44 0.28 -4.92 115.22 113.01 1r48 n HIS 31 Ca -0.03 -3.82 -0.16 0.00 -2.01 0.00 0.00 57.72 51.70 1r48 n HIS 31 Cb 0.80 -0.42 -0.12 0.00 0.12 0.00 0.00 29.99 30.37 1r48 n HIS 31 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1r48 h PRO 32 N 3.06 0.33 0.00 -1.40 0.13 0.19 -3.45 132.00 130.87 1r48 h PRO 32 Ca 0.10 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1r48 h PRO 32 Cb 0.92 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1r48 h PRO 32 CO 0.53 1.21 0.00 2.89 -0.23 0.00 0.00 178.00 182.40