#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 0.60 0.00 0.00 0.00 -1.26 -5.16 105.19 99.38 1r48 n GLY 2 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.15 0.94 -0.02 0.00 -1.26 -4.93 105.19 100.07 1r48 n GLY 3 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 3.65 -0.10 1.61 8.00 -1.26 -4.58 116.55 123.88 1r48 n ASP 4 Ca 0.00 -2.43 0.25 0.00 0.71 0.00 0.00 54.79 53.32 1r48 n ASP 4 Cb 0.00 -0.41 0.72 0.00 -0.02 0.00 0.00 41.12 41.40 1r48 n ASP 4 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1r48 h ASN 5 N 2.42 0.00 0.14 -2.24 -0.00 -2.01 0.10 115.58 114.00 1r48 h ASN 5 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 56.06 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 0.12 0.00 -1.13 0.40 -0.00 0.00 0.00 177.43 176.82 1r48 h ILE 6 N 0.00 1.28 -0.27 2.57 2.04 -1.98 -3.25 117.51 117.90 1r48 h ILE 6 Ca 0.35 -2.49 0.08 0.00 1.00 0.00 0.00 64.86 63.80 1r48 h ILE 6 Cb 1.46 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 40.51 1r48 h ILE 6 CO -0.00 0.72 0.29 -0.08 0.00 0.00 0.00 178.15 179.07 1r48 h GLU 7 N -0.30 0.00 -0.01 2.37 4.81 -1.16 -0.15 114.58 120.13 1r48 h GLU 7 Ca -0.22 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.86 1r48 h GLU 7 Cb 1.74 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.13 1r48 h GLU 7 CO 0.12 0.00 -0.55 0.37 -0.73 0.00 0.00 179.01 178.22 1r48 h GLN 8 N 0.00 0.40 -0.61 1.92 4.15 -1.25 -2.10 115.11 117.62 1r48 h GLN 8 Ca 0.13 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1r48 h GLN 8 Cb 0.71 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1r48 h GLN 8 CO -0.00 1.07 0.39 -0.22 -1.93 0.00 0.00 178.83 178.14 1r48 h LYS 9 N -0.12 0.81 -0.40 1.69 3.64 -1.10 -2.73 116.57 118.36 1r48 h LYS 9 Ca -0.06 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 1r48 h LYS 9 Cb 1.25 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1r48 h LYS 9 CO 0.11 0.55 -0.09 -0.84 -2.27 0.00 0.00 179.45 176.92 1r48 h ILE 10 N 0.82 1.27 -1.12 2.00 3.07 -1.36 -2.75 117.51 119.44 1r48 h ILE 10 Ca 0.22 -1.17 0.31 0.00 1.55 0.00 0.00 64.86 65.77 1r48 h ILE 10 Cb -0.06 1.21 -0.10 0.00 -0.27 0.00 0.00 36.82 37.60 1r48 h ILE 10 CO -0.04 0.39 0.73 -0.78 -1.05 0.00 0.00 178.15 177.40 1r48 h ASP 11 N 0.58 0.35 -0.08 2.16 3.58 -1.07 0.73 116.42 122.67 1r48 h ASP 11 Ca 0.10 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1r48 h ASP 11 Cb 0.60 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1r48 h ASP 11 CO 0.04 0.02 -0.01 0.44 -2.88 0.00 0.00 179.24 176.85 1r48 h ASP 12 N 0.28 0.14 -0.31 2.28 3.32 -1.33 -2.93 116.42 117.88 1r48 h ASP 12 Ca 0.64 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1r48 h ASP 12 Cb 1.82 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.32 1r48 h ASP 12 CO -0.29 0.44 0.20 0.40 -1.72 0.00 0.00 179.24 178.27 1r48 h ILE 13 N -0.16 1.08 -1.13 0.35 2.04 0.29 -1.89 117.51 118.09 1r48 h ILE 13 Ca 0.02 -0.15 0.32 0.00 1.00 0.00 0.00 64.86 66.05 1r48 h ILE 13 Cb 0.37 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1r48 h ILE 13 CO 0.01 0.08 0.78 -0.78 0.00 0.00 0.00 178.15 178.23 1r48 h ASP 14 N 0.42 0.19 0.84 1.72 1.82 -0.07 1.36 116.42 122.69 1r48 h ASP 14 Ca 0.11 0.04 -0.15 0.00 -0.39 0.00 0.00 57.03 56.64 1r48 h ASP 14 Cb -0.04 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1r48 h ASP 14 CO -0.02 0.02 -0.71 -0.74 -1.61 0.00 0.00 179.24 176.18 1r48 h HIS 15 N 0.16 0.00 0.07 0.28 2.76 -1.16 -2.92 115.15 114.34 1r48 h HIS 15 Ca 0.59 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.47 1r48 h HIS 15 Cb 1.98 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.92 1r48 h HIS 15 CO -0.00 0.71 -1.47 0.93 -1.30 0.00 0.00 177.93 176.79 1r48 h GLU 16 N 0.00 0.16 -0.21 5.26 5.08 0.17 -3.01 114.58 122.02 1r48 h GLU 16 Ca -0.01 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1r48 h GLU 16 Cb 1.32 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1r48 h GLU 16 CO 0.09 0.98 -0.13 0.82 -1.00 0.00 0.00 179.01 179.77 1r48 h ILE 17 N 0.04 1.20 0.19 3.13 2.04 0.19 -2.87 117.51 121.43 1r48 h ILE 17 Ca -0.21 -0.89 -0.31 0.00 1.00 0.00 0.00 64.86 64.45 1r48 h ILE 17 Cb 1.97 1.19 0.02 0.00 -0.74 0.00 0.00 36.82 39.26 1r48 h ILE 17 CO 0.14 0.28 -1.35 0.00 0.00 0.00 0.00 178.15 177.22 1r48 h ALA 18 N 1.55 -0.03 -0.67 1.87 0.00 -1.61 -3.08 119.26 117.29 1r48 h ALA 18 Ca 0.06 -0.86 0.11 0.00 0.00 0.00 0.00 54.91 54.22 1r48 h ALA 18 Cb 0.43 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1r48 h ALA 18 CO 0.02 0.81 0.27 0.22 0.00 0.00 0.00 179.25 180.57 1r48 h ASP 19 N 0.13 0.28 -0.01 0.00 3.58 -1.36 -0.87 116.42 118.17 1r48 h ASP 19 Ca -0.20 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1r48 h ASP 19 Cb 2.05 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 43.16 1r48 h ASP 19 CO 0.24 0.15 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.68 1r48 h LEU 20 N 0.45 0.02 -1.27 2.28 3.38 -1.63 -2.90 115.31 115.64 1r48 h LEU 20 Ca 0.34 -0.41 0.22 0.00 0.09 0.00 0.00 57.88 58.12 1r48 h LEU 20 Cb 0.44 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1r48 h LEU 20 CO -0.33 0.43 0.63 -0.61 0.09 0.00 0.00 178.44 178.65 1r48 h GLN 21 N -0.39 0.52 -0.24 1.13 4.15 -1.34 0.28 115.11 119.22 1r48 h GLN 21 Ca 0.00 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 1r48 h GLN 21 Cb 0.42 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1r48 h GLN 21 CO 0.00 0.35 -0.32 0.00 -1.93 0.00 0.00 178.83 176.92 1r48 h ALA 22 N 1.63 0.99 -0.21 3.38 0.00 -1.09 -2.57 119.26 121.40 1r48 h ALA 22 Ca 0.55 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1r48 h ALA 22 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1r48 h ALA 22 CO -0.29 0.60 -0.16 0.87 0.00 0.00 0.00 179.25 180.27 1r48 h LYS 23 N 0.43 0.35 -0.05 0.00 1.57 -0.26 -2.19 116.57 116.42 1r48 h LYS 23 Ca 0.05 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1r48 h LYS 23 Cb 0.77 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1r48 h LYS 23 CO 0.06 0.51 -0.24 0.00 -0.57 0.00 0.00 179.45 179.21 1r48 h ARG 24 N 0.32 0.25 0.14 3.15 3.08 -1.18 -3.03 114.38 117.12 1r48 h ARG 24 Ca 0.06 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1r48 h ARG 24 Cb 0.47 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1r48 h ARG 24 CO 0.03 0.85 -0.12 1.15 -1.07 0.00 0.00 179.97 180.81 1r48 h THR 25 N -0.29 0.74 -0.56 2.04 2.02 -1.37 -0.95 112.91 114.54 1r48 h THR 25 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1r48 h THR 25 Cb 0.89 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 1r48 h THR 25 CO 0.05 0.00 0.07 0.08 0.37 0.00 0.00 175.52 176.09 1r48 h ARG 26 N -0.27 0.19 -0.48 6.66 0.11 -1.51 0.29 114.38 119.36 1r48 h ARG 26 Ca -0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1r48 h ARG 26 Cb 0.25 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 1r48 h ARG 26 CO -0.02 0.12 0.28 -0.07 0.10 0.00 0.00 179.97 180.38 1r48 h LEU 27 N 0.19 0.58 -0.38 0.08 4.07 -1.36 -2.02 115.31 116.48 1r48 h LEU 27 Ca 0.29 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 1r48 h LEU 27 Cb 0.43 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1r48 h LEU 27 CO -0.41 0.46 0.01 0.58 -1.08 0.00 0.00 178.44 178.00 1r48 h VAL 28 N 0.67 1.26 -0.90 1.22 2.07 0.84 -2.21 116.25 119.20 1r48 h VAL 28 Ca 0.17 -0.98 0.26 0.00 0.82 0.00 0.00 66.70 66.97 1r48 h VAL 28 Cb 0.00 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1r48 h VAL 28 CO -0.03 0.33 0.64 1.56 0.02 0.00 0.00 177.57 180.09 1r48 h GLN 29 N 0.49 0.02 -0.00 1.57 1.08 -0.08 1.03 115.11 119.21 1r48 h GLN 29 Ca 0.11 -0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.11 1r48 h GLN 29 Cb 0.45 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1r48 h GLN 29 CO 0.02 0.01 -0.86 1.96 -0.95 0.00 0.00 178.83 179.01 1r48 h GLN 30 N 0.02 0.21 -2.03 1.46 4.20 -1.22 -3.37 115.11 114.38 1r48 h GLN 30 Ca 0.43 -0.22 -0.50 0.00 0.06 0.00 0.00 58.65 58.42 1r48 h GLN 30 Cb 1.69 0.06 -0.40 0.00 0.30 0.00 0.00 27.48 29.13 1r48 h GLN 30 CO -0.01 0.94 -1.13 -2.39 -0.67 0.00 0.00 178.83 175.57 1r48 n HIS 31 N -3.68 0.49 0.11 2.96 1.44 0.28 -4.92 115.22 111.90 1r48 n HIS 31 Ca -0.04 -3.80 -0.04 0.00 -2.01 0.00 0.00 57.72 51.83 1r48 n HIS 31 Cb 0.79 -0.42 0.09 0.00 0.12 0.00 0.00 29.99 30.58 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 3.17 0.09 0.00 -1.40 0.13 0.44 -3.45 132.00 130.98 1r48 h PRO 32 Ca 0.10 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1r48 h PRO 32 Cb 0.91 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1r48 h PRO 32 CO 0.53 0.76 0.00 0.54 -0.23 0.00 0.00 178.00 179.59