#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r48 h GLY 2 N 0.00 0.00 -7.19 0.00 0.00 -2.02 -3.44 103.07 90.43 1r48 h GLY 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1r48 h GLY 2 CO 0.00 0.00 1.43 0.61 0.00 0.00 0.00 176.54 178.58 1r48 n GLY 3 N 1.87 -0.30 0.03 4.60 0.00 -1.26 -3.41 105.19 106.72 1r48 n GLY 3 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1r48 n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r48 n ASP 4 N 11.69 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 125.59 1r48 n ASP 4 Ca 0.57 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1r48 n ASP 4 Cb 0.25 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1r48 n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1r48 n ASN 5 N -0.99 0.00 0.03 1.67 4.05 -1.26 -4.81 115.26 113.95 1r48 n ASN 5 Ca 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.90 1r48 n ASN 5 Cb 0.00 0.08 -0.08 0.00 1.23 0.00 0.00 39.78 41.00 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 1.12 -0.43 -1.44 2.04 -1.95 -1.00 117.51 115.86 1r48 h ILE 6 Ca 0.00 -0.51 0.12 0.00 1.00 0.00 0.00 64.86 65.47 1r48 h ILE 6 Cb 0.00 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1r48 h ILE 6 CO 0.00 0.13 0.30 -0.08 0.00 0.00 0.00 178.15 178.50 1r48 h GLU 7 N -0.28 0.04 0.10 2.37 4.81 -1.90 -0.49 114.58 119.23 1r48 h GLU 7 Ca -0.01 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1r48 h GLU 7 Cb 0.25 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.64 1r48 h GLU 7 CO 0.01 0.03 -1.18 0.37 -0.73 0.00 0.00 179.01 177.50 1r48 h GLN 8 N 0.04 0.47 -0.91 1.92 4.15 -1.73 -3.05 115.11 115.99 1r48 h GLN 8 Ca 0.20 -0.64 0.03 0.00 0.77 0.00 0.00 58.65 59.02 1r48 h GLN 8 Cb 0.76 0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.61 1r48 h GLN 8 CO -0.01 1.27 0.60 -0.22 -1.93 0.00 0.00 178.83 178.53 1r48 h LYS 9 N 0.20 1.13 -0.34 1.69 3.64 0.26 -2.51 116.57 120.64 1r48 h LYS 9 Ca -0.15 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 1r48 h LYS 9 Cb 1.86 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.42 1r48 h LYS 9 CO 0.21 0.75 -0.15 -0.84 -2.27 0.00 0.00 179.45 177.16 1r48 h ILE 10 N 1.17 1.29 -1.06 2.00 3.07 -1.49 -2.81 117.51 119.67 1r48 h ILE 10 Ca 0.36 -1.25 0.28 0.00 1.55 0.00 0.00 64.86 65.80 1r48 h ILE 10 Cb -0.03 1.37 -0.08 0.00 -0.27 0.00 0.00 36.82 37.81 1r48 h ILE 10 CO -0.11 0.41 0.71 -0.78 -1.05 0.00 0.00 178.15 177.33 1r48 h ASP 11 N 0.49 0.32 -0.08 2.16 1.82 -1.33 0.53 116.42 120.32 1r48 h ASP 11 Ca 0.08 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1r48 h ASP 11 Cb 0.68 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1r48 h ASP 11 CO 0.05 0.06 -0.01 -0.78 -1.61 0.00 0.00 179.24 176.94 1r48 h ASP 12 N 0.28 0.15 -0.33 2.28 1.82 -1.32 -2.91 116.42 116.39 1r48 h ASP 12 Ca 0.58 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1r48 h ASP 12 Cb 1.69 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.64 1r48 h ASP 12 CO -0.21 0.46 0.22 0.40 -1.61 0.00 0.00 179.24 178.49 1r48 h ILE 13 N -0.16 1.09 -1.12 2.25 2.04 -0.08 -1.76 117.51 119.76 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 0.39 0.60 -0.06 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 0.00 178.15 178.24 1r48 h ASP 14 N 0.45 0.15 0.84 1.72 3.58 -0.17 1.33 116.42 124.31 1r48 h ASP 14 Ca 0.12 0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.45 1r48 h ASP 14 Cb -0.05 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1r48 h ASP 14 CO -0.03 0.02 -0.73 -0.74 -2.88 0.00 0.00 179.24 174.89 1r48 h HIS 15 N 0.13 0.00 0.06 0.28 2.76 -1.13 -2.93 115.15 114.32 1r48 h HIS 15 Ca 0.57 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.45 1r48 h HIS 15 Cb 1.99 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.92 1r48 h HIS 15 CO -0.00 0.73 -1.47 0.93 -1.30 0.00 0.00 177.93 176.81 1r48 h GLU 16 N 0.00 0.13 -0.22 5.26 5.08 0.16 -2.99 114.58 122.01 1r48 h GLU 16 Ca -0.01 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1r48 h GLU 16 Cb 1.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1r48 h GLU 16 CO 0.09 0.94 -0.17 0.82 -1.00 0.00 0.00 179.01 179.70 1r48 h ILE 17 N 0.04 1.22 0.17 3.13 2.04 0.11 -2.91 117.51 121.32 1r48 h ILE 17 Ca -0.21 -1.01 -0.30 0.00 1.00 0.00 0.00 64.86 64.35 1r48 h ILE 17 Cb 1.96 1.24 0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1r48 h ILE 17 CO 0.13 0.32 -1.33 0.00 0.00 0.00 0.00 178.15 177.27 1r48 h ALA 18 N 1.49 -0.00 -0.72 1.87 0.00 -1.62 -3.08 119.26 117.20 1r48 h ALA 18 Ca 0.06 -0.87 0.12 0.00 0.00 0.00 0.00 54.91 54.22 1r48 h ALA 18 Cb 0.50 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1r48 h ALA 18 CO 0.03 0.86 0.32 0.22 0.00 0.00 0.00 179.25 180.68 1r48 h ASP 19 N 0.11 0.36 -0.04 0.00 3.58 -1.35 -0.07 116.42 119.01 1r48 h ASP 19 Ca -0.18 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1r48 h ASP 19 Cb 2.04 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 43.12 1r48 h ASP 19 CO 0.23 0.18 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.67 1r48 h LEU 20 N 0.51 0.10 -1.39 2.28 3.38 -1.63 -2.99 115.31 115.57 1r48 h LEU 20 Ca 0.38 -0.46 0.19 0.00 0.09 0.00 0.00 57.88 58.07 1r48 h LEU 20 Cb 0.49 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 1r48 h LEU 20 CO -0.33 0.54 0.60 -0.61 0.09 0.00 0.00 178.44 178.72 1r48 h GLN 21 N -0.34 0.50 -0.55 1.13 4.15 -1.31 0.39 115.11 119.08 1r48 h GLN 21 Ca 0.01 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1r48 h GLN 21 Cb 0.51 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1r48 h GLN 21 CO 0.01 0.33 0.04 0.00 -1.93 0.00 0.00 178.83 177.27 1r48 h ALA 22 N 1.61 0.74 -0.18 3.38 0.00 -0.95 -1.92 119.26 121.94 1r48 h ALA 22 Ca 0.48 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1r48 h ALA 22 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1r48 h ALA 22 CO -0.21 0.54 -0.16 0.87 0.00 0.00 0.00 179.25 180.28 1r48 h LYS 23 N 0.84 0.30 -0.21 0.00 1.57 -0.81 -1.77 116.57 116.49 1r48 h LYS 23 Ca 0.16 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1r48 h LYS 23 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1r48 h LYS 23 CO 0.02 0.47 -0.57 -0.09 -0.57 0.00 0.00 179.45 178.71 1r48 h ARG 24 N 0.28 0.77 0.48 3.15 2.43 -1.05 -2.96 114.38 117.48 1r48 h ARG 24 Ca 0.05 -0.54 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1r48 h ARG 24 Cb 0.46 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1r48 h ARG 24 CO 0.03 1.16 -0.23 1.15 -1.51 0.00 0.00 179.97 180.57 1r48 h THR 25 N 0.50 0.40 -1.03 0.20 2.02 -1.12 -2.08 112.91 111.80 1r48 h THR 25 Ca -0.01 -0.44 0.26 0.00 0.77 0.00 0.00 66.41 66.99 1r48 h THR 25 Cb 1.19 0.55 -0.10 0.00 -1.74 0.00 0.00 68.15 68.05 1r48 h THR 25 CO 0.12 0.06 0.65 0.08 0.37 0.00 0.00 175.52 176.81 1r48 h ARG 26 N -0.95 0.43 -0.52 6.66 -0.00 -1.44 0.82 114.38 119.39 1r48 h ARG 26 Ca -0.07 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.98 59.78 1r48 h ARG 26 Cb 0.59 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.45 1r48 h ARG 26 CO 0.11 0.29 -0.09 -0.07 -0.00 0.00 0.00 179.97 180.20 1r48 h LEU 27 N 0.45 0.94 -0.42 0.08 3.38 -1.42 -2.81 115.31 115.51 1r48 h LEU 27 Ca 0.60 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1r48 h LEU 27 Cb 1.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1r48 h LEU 27 CO -0.33 1.05 0.11 0.58 0.09 0.00 0.00 178.44 179.95 1r48 h VAL 28 N 0.85 1.23 -0.66 1.22 2.07 0.13 -1.91 116.25 119.17 1r48 h VAL 28 Ca 0.14 -0.78 0.19 0.00 0.82 0.00 0.00 66.70 67.07 1r48 h VAL 28 Cb 0.63 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1r48 h VAL 28 CO 0.04 0.27 0.49 1.56 0.02 0.00 0.00 177.57 179.95 1r48 h GLN 29 N 0.54 0.00 0.00 1.57 7.50 -0.57 0.96 115.11 125.11 1r48 h GLN 29 Ca 0.13 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.12 1r48 h GLN 29 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 1r48 h GLN 29 CO -0.00 0.00 -0.78 1.96 -1.50 0.00 0.00 178.83 178.51 1r48 h GLN 30 N 0.00 0.00 -1.89 1.46 4.20 -1.11 -3.37 115.11 114.40 1r48 h GLN 30 Ca 0.31 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.55 1r48 h GLN 30 Cb 1.28 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 28.68 1r48 h GLN 30 CO -0.00 0.78 -1.15 -2.39 -0.67 0.00 0.00 178.83 175.40 1r48 n HIS 31 N -3.59 -0.05 0.08 2.96 1.44 0.22 -4.93 115.22 111.34 1r48 n HIS 31 Ca -0.01 -3.70 -0.07 0.00 -2.01 0.00 0.00 57.72 51.93 1r48 n HIS 31 Cb 0.76 -0.30 -0.06 0.00 0.12 0.00 0.00 29.99 30.51 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 3.11 0.06 -0.02 -1.40 0.13 0.42 -3.45 132.00 130.84 1r48 h PRO 32 Ca 0.09 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1r48 h PRO 32 Cb 0.97 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1r48 h PRO 32 CO 0.48 0.96 0.00 0.54 -0.23 0.00 0.00 178.00 179.75