#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 0.64 4.07 0.00 0.00 -1.26 -4.97 105.19 103.67 1r48 n GLY 2 Ca 0.00 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.38 0.00 -0.02 0.00 -1.26 -4.82 105.19 98.71 1r48 n GLY 3 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.80 0.00 0.00 1.61 8.00 -1.26 -5.06 116.55 117.04 1r48 n ASP 4 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1r48 n ASP 4 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1r48 n ASP 4 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r48 n ASN 5 N -0.59 0.00 0.00 -2.24 4.05 -1.26 -4.82 115.26 110.40 1r48 n ASN 5 Ca 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 54.91 1r48 n ASN 5 Cb 0.00 0.06 -0.07 0.00 1.23 0.00 0.00 39.78 40.99 1r48 n ASN 5 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1r48 h ILE 6 N 0.00 1.15 -0.88 -1.44 2.04 -1.98 -1.21 117.51 115.20 1r48 h ILE 6 Ca 0.00 -0.45 0.17 0.00 1.00 0.00 0.00 64.86 65.58 1r48 h ILE 6 Cb 0.00 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1r48 h ILE 6 CO 0.00 0.12 0.57 -0.08 0.00 0.00 0.00 178.15 178.77 1r48 h GLU 7 N -0.11 0.53 -0.02 2.37 4.57 -1.91 0.53 114.58 120.55 1r48 h GLU 7 Ca 0.01 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 57.95 1r48 h GLU 7 Cb 0.19 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1r48 h GLU 7 CO -0.00 0.35 -0.87 0.37 -1.18 0.00 0.00 179.01 177.68 1r48 h GLN 8 N 0.54 0.37 -0.89 1.92 4.15 -1.79 -2.92 115.11 116.49 1r48 h GLN 8 Ca 0.45 -0.37 0.03 0.00 0.77 0.00 0.00 58.65 59.53 1r48 h GLN 8 Cb 0.92 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 1r48 h GLN 8 CO -0.19 1.04 0.58 0.87 -1.93 0.00 0.00 178.83 179.20 1r48 h LYS 9 N 0.22 1.10 -0.24 1.69 1.57 0.32 -2.63 116.57 118.61 1r48 h LYS 9 Ca -0.06 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1r48 h LYS 9 Cb 1.49 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1r48 h LYS 9 CO 0.15 0.73 -0.37 -0.84 -0.57 0.00 0.00 179.45 178.55 1r48 h ILE 10 N 1.13 1.31 -1.13 1.86 3.07 -1.42 -2.99 117.51 119.36 1r48 h ILE 10 Ca 0.35 -1.57 0.31 0.00 1.55 0.00 0.00 64.86 65.50 1r48 h ILE 10 Cb -0.03 1.74 -0.09 0.00 -0.27 0.00 0.00 36.82 38.17 1r48 h ILE 10 CO -0.11 0.49 0.75 0.44 -1.05 0.00 0.00 178.15 178.68 1r48 h ASP 11 N 0.39 0.30 0.02 2.16 5.19 -1.27 0.53 116.42 123.74 1r48 h ASP 11 Ca 0.02 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1r48 h ASP 11 Cb 0.96 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1r48 h ASP 11 CO 0.08 0.02 -0.01 0.44 -3.12 0.00 0.00 179.24 176.66 1r48 h ASP 12 N 0.25 -0.02 -0.21 6.45 5.19 -1.37 -2.97 116.42 123.74 1r48 h ASP 12 Ca 0.62 -0.42 0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1r48 h ASP 12 Cb 1.87 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.37 1r48 h ASP 12 CO -0.24 0.41 0.09 0.40 -3.12 0.00 0.00 179.24 176.78 1r48 h ILE 13 N -0.45 0.97 -1.11 0.35 2.04 -0.18 -1.79 117.51 117.34 1r48 h ILE 13 Ca -0.00 -0.07 0.31 0.00 1.00 0.00 0.00 64.86 66.10 1r48 h ILE 13 Cb 0.43 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 1r48 h ILE 13 CO 0.00 0.04 0.75 -0.78 0.00 0.00 0.00 178.15 178.16 1r48 h ASP 14 N 0.19 0.24 0.84 1.72 3.58 -0.19 1.29 116.42 124.09 1r48 h ASP 14 Ca 0.09 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 1r48 h ASP 14 Cb 0.04 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1r48 h ASP 14 CO -0.07 0.03 -0.61 -0.74 -2.88 0.00 0.00 179.24 174.97 1r48 h HIS 15 N 0.21 0.00 0.09 0.28 2.76 -1.16 -2.92 115.15 114.40 1r48 h HIS 15 Ca 0.59 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.46 1r48 h HIS 15 Cb 1.88 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.82 1r48 h HIS 15 CO -0.00 0.61 -1.56 0.93 -1.30 0.00 0.00 177.93 176.61 1r48 h GLU 16 N 0.00 0.19 -0.14 5.26 5.08 0.16 -3.03 114.58 122.09 1r48 h GLU 16 Ca -0.01 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1r48 h GLU 16 Cb 1.19 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1r48 h GLU 16 CO 0.08 1.01 -0.10 0.82 -1.00 0.00 0.00 179.01 179.81 1r48 h ILE 17 N 0.05 1.16 0.24 3.13 2.04 0.16 -2.79 117.51 121.49 1r48 h ILE 17 Ca -0.25 -0.67 -0.33 0.00 1.00 0.00 0.00 64.86 64.61 1r48 h ILE 17 Cb 2.00 1.16 0.03 0.00 -0.74 0.00 0.00 36.82 39.27 1r48 h ILE 17 CO 0.14 0.21 -1.49 0.00 0.00 0.00 0.00 178.15 177.01 1r48 h ALA 18 N 1.70 -0.10 -0.76 1.87 0.00 -1.61 -3.08 119.26 117.27 1r48 h ALA 18 Ca 0.04 -0.89 0.11 0.00 0.00 0.00 0.00 54.91 54.17 1r48 h ALA 18 Cb 0.31 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1r48 h ALA 18 CO 0.02 0.76 0.38 0.22 0.00 0.00 0.00 179.25 180.63 1r48 h ASP 19 N 0.14 0.47 0.23 0.00 3.58 -1.37 0.04 116.42 119.51 1r48 h ASP 19 Ca -0.25 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1r48 h ASP 19 Cb 2.15 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.20 1r48 h ASP 19 CO 0.26 0.24 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.68 1r48 h LEU 20 N 0.60 -0.26 -1.56 2.28 3.38 -1.62 -2.76 115.31 115.38 1r48 h LEU 20 Ca 0.39 -0.26 0.22 0.00 0.09 0.00 0.00 57.88 58.31 1r48 h LEU 20 Cb 0.47 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1r48 h LEU 20 CO -0.31 0.19 0.61 -0.61 0.09 0.00 0.00 178.44 178.41 1r48 h GLN 21 N -0.78 0.35 -0.01 1.13 4.15 -1.39 0.34 115.11 118.89 1r48 h GLN 21 Ca -0.03 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1r48 h GLN 21 Cb 0.51 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1r48 h GLN 21 CO 0.05 0.23 -0.61 0.00 -1.93 0.00 0.00 178.83 176.57 1r48 h ALA 22 N 1.60 0.97 -0.16 3.38 0.00 -0.97 -2.87 119.26 121.22 1r48 h ALA 22 Ca 0.48 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1r48 h ALA 22 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1r48 h ALA 22 CO -0.17 0.75 -0.59 0.87 0.00 0.00 0.00 179.25 180.12 1r48 h LYS 23 N 0.03 0.53 -0.20 0.00 6.56 -0.05 -2.69 116.57 120.74 1r48 h LYS 23 Ca -0.01 -0.35 -0.06 0.00 -1.06 0.00 0.00 60.65 59.17 1r48 h LYS 23 Cb 1.08 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 1r48 h LYS 23 CO 0.08 0.97 -0.11 0.00 -2.06 0.00 0.00 179.45 178.33 1r48 h ARG 24 N 0.40 0.43 0.54 3.15 3.08 -1.31 -2.78 114.38 117.90 1r48 h ARG 24 Ca -0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1r48 h ARG 24 Cb 1.14 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.18 1r48 h ARG 24 CO 0.11 0.72 -0.26 1.15 -1.07 0.00 0.00 179.97 180.62 1r48 h THR 25 N 0.12 0.46 -0.88 2.04 2.02 -1.54 -0.73 112.91 114.40 1r48 h THR 25 Ca 0.04 -0.04 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1r48 h THR 25 Cb 0.60 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 67.37 1r48 h THR 25 CO 0.03 0.01 0.41 0.08 0.37 0.00 0.00 175.52 176.42 1r48 h ARG 26 N -0.76 0.46 -0.64 6.66 0.11 -1.55 0.43 114.38 119.10 1r48 h ARG 26 Ca -0.07 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 1r48 h ARG 26 Cb 0.57 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 1r48 h ARG 26 CO 0.12 0.31 0.11 -0.07 0.10 0.00 0.00 179.97 180.54 1r48 h LEU 27 N 0.48 0.99 -0.22 0.08 4.07 -1.21 -2.90 115.31 116.60 1r48 h LEU 27 Ca 0.53 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 58.26 1r48 h LEU 27 Cb 0.93 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1r48 h LEU 27 CO -0.47 0.99 0.11 0.58 -1.08 0.00 0.00 178.44 178.57 1r48 h VAL 28 N 0.98 1.12 -0.95 1.22 2.07 0.13 -1.89 116.25 118.93 1r48 h VAL 28 Ca 0.20 -0.33 0.24 0.00 0.82 0.00 0.00 66.70 67.63 1r48 h VAL 28 Cb 0.42 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1r48 h VAL 28 CO 0.01 0.12 0.64 1.56 0.02 0.00 0.00 177.57 179.92 1r48 h GLN 29 N 0.24 0.26 -0.02 1.57 4.20 -0.78 0.95 115.11 121.52 1r48 h GLN 29 Ca 0.08 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1r48 h GLN 29 Cb 0.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1r48 h GLN 29 CO -0.01 0.17 -0.52 0.37 -0.67 0.00 0.00 178.83 178.17 1r48 h GLN 30 N 0.26 0.06 -1.99 1.46 -0.00 -1.17 -3.36 115.11 110.37 1r48 h GLN 30 Ca 0.49 -0.04 -0.55 0.00 -0.00 0.00 0.00 58.65 58.56 1r48 h GLN 30 Cb 1.47 0.00 -0.37 0.00 0.00 0.00 0.00 27.48 28.57 1r48 h GLN 30 CO -0.14 0.57 -1.04 -2.39 0.00 0.00 0.00 178.83 175.83 1r48 n HIS 31 N -3.92 -0.69 0.23 3.99 1.44 0.30 -4.96 115.22 111.62 1r48 n HIS 31 Ca -0.02 -3.39 0.09 0.00 -2.01 0.00 0.00 57.72 52.39 1r48 n HIS 31 Cb 0.54 -0.09 0.56 0.00 0.12 0.00 0.00 29.99 31.12 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 4.42 0.00 0.00 -1.40 0.13 -1.00 -3.44 132.00 130.71 1r48 h PRO 32 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1r48 h PRO 32 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1r48 h PRO 32 CO 0.43 0.22 0.00 0.54 -0.23 0.00 0.00 178.00 178.95