#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 1.45 5.24 0.00 0.00 -1.26 -4.66 105.19 105.96 1r48 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.13 0.23 0.67 -0.02 0.00 -1.26 0.21 105.19 103.90 1r48 n GLY 3 Ca 0.00 0.59 0.07 0.00 0.00 0.00 0.00 46.02 46.69 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 2.79 3.31 -0.15 1.61 8.00 -1.26 -4.63 116.55 126.22 1r48 n ASP 4 Ca 0.00 -2.63 0.24 0.00 0.71 0.00 0.00 54.79 53.11 1r48 n ASP 4 Cb 0.00 -0.40 0.66 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.58 0.10 0.14 -2.24 -0.00 -0.51 0.79 115.58 115.45 1r48 h ASN 5 Ca 0.00 0.01 -0.23 0.00 -0.00 0.00 0.00 56.30 56.08 1r48 h ASN 5 Cb 1.11 -0.01 0.01 0.00 -0.00 0.00 0.00 38.32 39.44 1r48 h ASN 5 CO 0.12 0.04 -1.11 0.40 -0.00 0.00 0.00 177.43 176.88 1r48 h ILE 6 N 0.10 1.29 -0.37 2.57 5.03 -1.82 -3.27 117.51 121.05 1r48 h ILE 6 Ca 0.39 -2.49 0.11 0.00 -0.12 0.00 0.00 64.86 62.75 1r48 h ILE 6 Cb 1.40 2.98 -0.01 0.00 -3.03 0.00 0.00 36.82 38.16 1r48 h ILE 6 CO -0.05 0.71 0.40 -0.08 -0.68 0.00 0.00 178.15 178.46 1r48 h GLU 7 N -0.32 0.00 -0.02 2.37 4.81 -1.22 0.14 114.58 120.35 1r48 h GLU 7 Ca -0.22 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 1r48 h GLU 7 Cb 1.72 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.11 1r48 h GLU 7 CO 0.12 0.00 -0.70 0.37 -0.73 0.00 0.00 179.01 178.07 1r48 h GLN 8 N 0.00 0.50 -0.59 1.92 5.75 -1.21 -2.20 115.11 119.28 1r48 h GLN 8 Ca 0.17 -0.52 -0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1r48 h GLN 8 Cb 0.98 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 1r48 h GLN 8 CO -0.00 1.15 0.37 -0.22 -2.65 0.00 0.00 178.83 177.48 1r48 h LYS 9 N 0.05 0.79 -0.44 1.69 3.64 -0.81 -2.69 116.57 118.79 1r48 h LYS 9 Ca -0.08 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1r48 h LYS 9 Cb 1.39 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1r48 h LYS 9 CO 0.14 0.55 -0.03 -0.84 -2.27 0.00 0.00 179.45 177.00 1r48 h ILE 10 N 0.79 1.27 -1.12 2.00 3.07 -1.37 -2.63 117.51 119.52 1r48 h ILE 10 Ca 0.21 -1.10 0.31 0.00 1.55 0.00 0.00 64.86 65.83 1r48 h ILE 10 Cb -0.04 1.09 -0.09 0.00 -0.27 0.00 0.00 36.82 37.50 1r48 h ILE 10 CO -0.04 0.38 0.73 -0.78 -1.05 0.00 0.00 178.15 177.39 1r48 h ASP 11 N 0.64 0.33 -0.09 2.16 1.82 -1.06 0.70 116.42 120.92 1r48 h ASP 11 Ca 0.12 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1r48 h ASP 11 Cb 0.54 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 1r48 h ASP 11 CO 0.03 0.03 -0.01 0.44 -1.61 0.00 0.00 179.24 178.12 1r48 h ASP 12 N 0.27 0.16 -0.29 2.28 3.32 -1.30 -2.89 116.42 117.97 1r48 h ASP 12 Ca 0.63 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1r48 h ASP 12 Cb 1.82 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 1r48 h ASP 12 CO -0.26 0.46 0.19 0.40 -1.72 0.00 0.00 179.24 178.30 1r48 h ILE 13 N -0.15 1.08 -1.10 0.35 2.04 0.24 -1.80 117.51 118.16 1r48 h ILE 13 Ca 0.02 -0.16 0.31 0.00 1.00 0.00 0.00 64.86 66.04 1r48 h ILE 13 Cb 0.38 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1r48 h ILE 13 CO 0.01 0.08 0.77 -0.78 0.00 0.00 0.00 178.15 178.22 1r48 h ASP 14 N 0.39 0.14 0.90 1.72 1.82 -0.12 1.32 116.42 122.59 1r48 h ASP 14 Ca 0.11 0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.63 1r48 h ASP 14 Cb -0.03 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 -0.69 -0.74 -1.61 0.00 0.00 179.24 176.20 1r48 h HIS 15 N 0.12 0.00 0.07 0.28 2.76 -1.12 -2.93 115.15 114.33 1r48 h HIS 15 Ca 0.56 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.44 1r48 h HIS 15 Cb 1.96 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.90 1r48 h HIS 15 CO -0.00 0.69 -1.51 0.93 -1.30 0.00 0.00 177.93 176.73 1r48 h GLU 16 N 0.00 0.15 -0.24 5.26 4.39 0.16 -2.95 114.58 121.35 1r48 h GLU 16 Ca -0.01 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 1r48 h GLU 16 Cb 1.32 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.05 1r48 h GLU 16 CO 0.09 0.95 -0.12 0.82 -1.16 0.00 0.00 179.01 179.59 1r48 h ILE 17 N 0.04 1.21 0.17 3.13 2.04 0.08 -2.86 117.51 121.32 1r48 h ILE 17 Ca -0.22 -0.94 -0.30 0.00 1.00 0.00 0.00 64.86 64.40 1r48 h ILE 17 Cb 1.97 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1r48 h ILE 17 CO 0.13 0.30 -1.34 0.00 0.00 0.00 0.00 178.15 177.24 1r48 h ALA 18 N 1.50 0.03 -0.78 1.87 0.00 -1.62 -3.10 119.26 117.17 1r48 h ALA 18 Ca 0.07 -0.90 0.12 0.00 0.00 0.00 0.00 54.91 54.20 1r48 h ALA 18 Cb 0.45 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1r48 h ALA 18 CO 0.03 0.91 0.39 0.22 0.00 0.00 0.00 179.25 180.79 1r48 h ASP 19 N 0.10 0.48 0.01 0.00 1.82 -1.32 0.31 116.42 117.81 1r48 h ASP 19 Ca -0.18 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1r48 h ASP 19 Cb 2.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.05 1r48 h ASP 19 CO 0.22 0.23 -0.00 -0.07 -1.61 0.00 0.00 179.24 178.01 1r48 h LEU 20 N 0.60 -0.01 -1.50 2.28 3.38 -1.62 -2.83 115.31 115.61 1r48 h LEU 20 Ca 0.41 -0.51 0.19 0.00 0.09 0.00 0.00 57.88 58.06 1r48 h LEU 20 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1r48 h LEU 20 CO -0.32 0.51 0.58 -0.61 0.09 0.00 0.00 178.44 178.68 1r48 h GLN 21 N -0.53 0.42 -0.10 1.13 4.15 -1.34 0.24 115.11 119.08 1r48 h GLN 21 Ca -0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 1r48 h GLN 21 Cb 0.52 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1r48 h GLN 21 CO 0.00 0.28 -0.53 0.00 -1.93 0.00 0.00 178.83 176.65 1r48 h ALA 22 N 1.62 0.91 -0.35 3.38 0.00 -0.90 -2.93 119.26 120.99 1r48 h ALA 22 Ca 0.45 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1r48 h ALA 22 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1r48 h ALA 22 CO -0.17 0.68 -0.22 0.87 0.00 0.00 0.00 179.25 180.41 1r48 h LYS 23 N 0.22 0.67 -0.20 0.00 6.56 -0.30 -2.13 116.57 121.39 1r48 h LYS 23 Ca 0.00 -0.26 -0.03 0.00 -1.06 0.00 0.00 60.65 59.31 1r48 h LYS 23 Cb 1.01 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.62 1r48 h LYS 23 CO 0.08 0.83 0.01 0.00 -2.06 0.00 0.00 179.45 178.32 1r48 h ARG 24 N 0.59 0.35 0.51 3.15 3.08 -1.27 -2.34 114.38 118.44 1r48 h ARG 24 Ca 0.09 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1r48 h ARG 24 Cb 0.69 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1r48 h ARG 24 CO 0.05 0.53 -0.24 1.15 -1.07 0.00 0.00 179.97 180.39 1r48 h THR 25 N 0.12 0.48 -0.83 2.04 2.02 -1.46 -1.38 112.91 113.91 1r48 h THR 25 Ca 0.06 -0.17 0.18 0.00 0.77 0.00 0.00 66.41 67.25 1r48 h THR 25 Cb 0.36 0.56 -0.11 0.00 -1.74 0.00 0.00 68.15 67.22 1r48 h THR 25 CO 0.01 0.03 0.34 0.08 0.37 0.00 0.00 175.52 176.35 1r48 h ARG 26 N -0.79 0.41 -0.74 6.66 0.11 -1.44 0.51 114.38 119.11 1r48 h ARG 26 Ca -0.07 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 1r48 h ARG 26 Cb 0.57 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 1r48 h ARG 26 CO 0.11 0.27 0.36 -0.07 0.10 0.00 0.00 179.97 180.74 1r48 h LEU 27 N 0.43 0.96 -0.52 0.08 -0.00 -1.24 -2.29 115.31 112.72 1r48 h LEU 27 Ca 0.49 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 58.23 1r48 h LEU 27 Cb 0.84 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1r48 h LEU 27 CO -0.47 0.81 0.22 0.58 -0.00 0.00 0.00 178.44 179.58 1r48 h VAL 28 N 1.05 1.21 -0.81 1.22 2.07 0.11 -1.55 116.25 119.55 1r48 h VAL 28 Ca 0.26 -0.64 0.22 0.00 0.82 0.00 0.00 66.70 67.36 1r48 h VAL 28 Cb 0.10 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1r48 h VAL 28 CO -0.03 0.24 0.57 1.56 0.02 0.00 0.00 177.57 179.94 1r48 h GLN 29 N 0.69 0.07 -0.02 1.57 7.50 -0.35 0.90 115.11 125.46 1r48 h GLN 29 Ca 0.17 -0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.17 1r48 h GLN 29 Cb 0.18 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 1r48 h GLN 29 CO -0.02 0.05 -0.68 1.96 -1.50 0.00 0.00 178.83 178.64 1r48 h GLN 30 N 0.07 0.12 -2.03 1.46 1.08 -1.07 -3.36 115.11 111.38 1r48 h GLN 30 Ca 0.39 -0.10 -0.54 0.00 -1.45 0.00 0.00 58.65 56.96 1r48 h GLN 30 Cb 1.45 0.02 -0.40 0.00 -0.05 0.00 0.00 27.48 28.50 1r48 h GLN 30 CO -0.03 0.76 -1.07 -2.39 -0.95 0.00 0.00 178.83 175.14 1r48 n HIS 31 N -3.78 0.39 0.08 2.96 1.44 0.28 -4.91 115.22 111.68 1r48 n HIS 31 Ca -0.02 -3.72 -0.00 0.00 -2.01 0.00 0.00 57.72 51.97 1r48 n HIS 31 Cb 0.67 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 30.34 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 3.60 0.00 -0.00 -1.40 0.13 -0.64 -3.45 132.00 130.24 1r48 h PRO 32 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1r48 h PRO 32 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1r48 h PRO 32 CO 0.52 0.48 0.00 0.54 -0.23 0.00 0.00 178.00 179.31