#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 1.27 0.41 0.00 0.00 -1.26 -4.10 105.19 101.51 1r48 n GLY 2 Ca 0.00 -1.18 0.22 0.00 0.00 0.00 0.00 46.02 45.06 1r48 n GLY 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r48 h GLY 3 N 0.00 0.00 -0.38 -0.02 0.00 -1.94 -1.82 103.07 98.91 1r48 h GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r48 h GLY 3 CO 0.00 0.00 -0.19 1.22 0.00 0.00 0.00 176.54 177.57 1r48 n ASP 4 N -3.69 0.27 -0.71 0.19 9.92 -1.26 -4.97 116.55 116.30 1r48 n ASP 4 Ca 0.10 -1.57 -0.08 0.00 -0.53 0.00 0.00 54.79 52.71 1r48 n ASP 4 Cb 0.77 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 41.12 1r48 n ASP 4 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1r48 n ASN 5 N -0.11 -3.80 0.00 -2.24 4.05 -0.68 -4.74 115.26 107.73 1r48 n ASN 5 Ca 0.01 0.16 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1r48 n ASN 5 Cb 0.57 -2.25 0.00 0.00 1.23 0.00 0.00 39.78 39.32 1r48 n ASN 5 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1r48 n ILE 6 N -3.01 0.00 -0.07 -1.44 5.41 -1.26 -4.75 119.36 114.24 1r48 n ILE 6 Ca -0.09 0.00 0.25 0.00 1.00 0.00 0.00 62.75 63.92 1r48 n ILE 6 Cb 0.34 -0.45 0.69 0.00 -0.71 0.00 0.00 39.64 39.51 1r48 n ILE 6 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1r48 h GLU 7 N 0.00 0.00 0.12 0.38 4.81 -1.88 0.58 114.58 118.58 1r48 h GLU 7 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1r48 h GLU 7 Cb 0.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 1r48 h GLU 7 CO 0.00 0.00 -1.18 0.37 -0.73 0.00 0.00 179.01 177.47 1r48 h GLN 8 N 0.00 0.59 -0.95 1.92 -0.00 -1.87 -2.80 115.11 112.00 1r48 h GLN 8 Ca 0.34 -0.79 0.01 0.00 -0.00 0.00 0.00 58.65 58.20 1r48 h GLN 8 Cb 1.69 0.26 -0.05 0.00 0.00 0.00 0.00 27.48 29.38 1r48 h GLN 8 CO -0.00 1.36 0.63 0.87 0.00 0.00 0.00 178.83 181.68 1r48 h LYS 9 N 0.20 1.26 -0.28 1.69 1.79 -0.18 -2.60 116.57 118.47 1r48 h LYS 9 Ca -0.18 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.10 1r48 h LYS 9 Cb 1.87 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 32.23 1r48 h LYS 9 CO 0.23 0.84 -0.26 -0.84 -1.08 0.00 0.00 179.45 178.34 1r48 h ILE 10 N 1.30 1.30 -1.04 1.86 3.07 -1.38 -2.90 117.51 119.72 1r48 h ILE 10 Ca 0.35 -1.42 0.27 0.00 1.55 0.00 0.00 64.86 65.62 1r48 h ILE 10 Cb -0.14 1.59 -0.07 0.00 -0.27 0.00 0.00 36.82 37.93 1r48 h ILE 10 CO -0.07 0.45 0.70 0.44 -1.05 0.00 0.00 178.15 178.61 1r48 h ASP 11 N 0.40 0.30 -0.12 2.16 3.32 -1.18 0.54 116.42 121.84 1r48 h ASP 11 Ca 0.05 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1r48 h ASP 11 Cb 0.82 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1r48 h ASP 11 CO 0.06 0.07 -0.03 0.44 -1.72 0.00 0.00 179.24 178.06 1r48 h ASP 12 N 0.27 0.23 -0.30 6.45 5.19 -1.32 -2.93 116.42 124.01 1r48 h ASP 12 Ca 0.55 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1r48 h ASP 12 Cb 1.64 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 41.08 1r48 h ASP 12 CO -0.19 0.54 0.19 0.40 -3.12 0.00 0.00 179.24 177.07 1r48 h ILE 13 N -0.09 1.07 -1.10 0.35 2.04 -0.04 -1.73 117.51 118.01 1r48 h ILE 13 Ca 0.03 -0.14 0.31 0.00 1.00 0.00 0.00 64.86 66.06 1r48 h ILE 13 Cb 0.44 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1r48 h ILE 13 CO 0.01 0.07 0.76 -0.78 0.00 0.00 0.00 178.15 178.22 1r48 h ASP 14 N 0.39 0.16 0.86 1.72 3.58 -0.27 1.32 116.42 124.19 1r48 h ASP 14 Ca 0.11 0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 1r48 h ASP 14 Cb -0.04 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1r48 h ASP 14 CO -0.03 0.03 -0.68 -0.74 -2.88 0.00 0.00 179.24 174.94 1r48 h HIS 15 N 0.14 0.00 0.08 0.28 2.76 -1.13 -2.93 115.15 114.35 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 1.93 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.88 1r48 h HIS 15 CO -0.00 0.68 -1.51 0.93 -1.30 0.00 0.00 177.93 176.73 1r48 h GLU 16 N 0.00 0.17 -0.21 5.26 5.08 0.16 -2.98 114.58 122.07 1r48 h GLU 16 Ca -0.01 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1r48 h GLU 16 Cb 1.29 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1r48 h GLU 16 CO 0.09 0.99 -0.13 0.82 -1.00 0.00 0.00 179.01 179.78 1r48 h ILE 17 N 0.05 1.20 0.17 3.13 2.04 0.07 -2.84 117.51 121.33 1r48 h ILE 17 Ca -0.23 -0.88 -0.30 0.00 1.00 0.00 0.00 64.86 64.45 1r48 h ILE 17 Cb 1.98 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 -1.36 0.00 0.00 0.00 0.00 178.15 177.21 1r48 h ALA 18 N 1.56 0.02 -0.60 1.87 0.00 -1.62 -3.09 119.26 117.41 1r48 h ALA 18 Ca 0.06 -0.90 0.09 0.00 0.00 0.00 0.00 54.91 54.16 1r48 h ALA 18 Cb 0.42 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1r48 h ALA 18 CO 0.02 0.90 0.23 0.22 0.00 0.00 0.00 179.25 180.62 1r48 h ASP 19 N 0.10 0.24 0.02 0.00 3.58 -1.34 -0.56 116.42 118.45 1r48 h ASP 19 Ca -0.19 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1r48 h ASP 19 Cb 2.05 0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.15 1r48 h ASP 19 CO 0.22 0.14 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.65 1r48 h LEU 20 N 0.42 -0.02 -1.66 2.28 3.38 -1.63 -2.88 115.31 115.20 1r48 h LEU 20 Ca 0.30 -0.37 0.22 0.00 0.09 0.00 0.00 57.88 58.12 1r48 h LEU 20 Cb 0.36 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1r48 h LEU 20 CO -0.29 0.36 0.60 -0.61 0.09 0.00 0.00 178.44 178.59 1r48 h GLN 21 N -0.40 0.26 -0.17 1.13 -0.00 -1.36 0.25 115.11 114.82 1r48 h GLN 21 Ca -0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.48 1r48 h GLN 21 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 1r48 h GLN 21 CO 0.00 0.17 -0.52 0.00 0.00 0.00 0.00 178.83 178.49 1r48 h ALA 22 N 1.60 0.79 -0.24 3.38 0.00 -0.97 -2.68 119.26 121.15 1r48 h ALA 22 Ca 0.45 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1r48 h ALA 22 Cb 1.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1r48 h ALA 22 CO -0.13 0.68 -0.19 0.87 0.00 0.00 0.00 179.25 180.48 1r48 h LYS 23 N 0.37 0.42 -0.14 0.00 1.57 -0.31 -2.13 116.57 116.34 1r48 h LYS 23 Ca 0.01 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1r48 h LYS 23 Cb 1.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1r48 h LYS 23 CO 0.09 0.59 -0.32 0.00 -0.57 0.00 0.00 179.45 179.25 1r48 h ARG 24 N 0.38 0.46 0.61 3.15 3.08 -1.30 -2.81 114.38 117.95 1r48 h ARG 24 Ca 0.07 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1r48 h ARG 24 Cb 0.55 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.65 1r48 h ARG 24 CO 0.04 0.92 -0.29 1.15 -1.07 0.00 0.00 179.97 180.71 1r48 h THR 25 N 0.06 0.39 -0.96 2.04 2.02 -1.37 -0.43 112.91 114.67 1r48 h THR 25 Ca -0.00 -0.05 0.19 0.00 0.77 0.00 0.00 66.41 67.32 1r48 h THR 25 Cb 0.92 0.41 -0.11 0.00 -1.74 0.00 0.00 68.15 67.63 1r48 h THR 25 CO 0.07 0.01 0.54 0.08 0.37 0.00 0.00 175.52 176.59 1r48 h ARG 26 N -0.85 0.65 -0.58 6.66 0.11 -1.49 0.47 114.38 119.35 1r48 h ARG 26 Ca -0.08 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.89 1r48 h ARG 26 Cb 0.64 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 1r48 h ARG 26 CO 0.14 0.43 0.08 -0.07 0.10 0.00 0.00 179.97 180.65 1r48 h LEU 27 N 0.67 0.89 -0.34 0.08 3.38 -1.21 -2.70 115.31 116.07 1r48 h LEU 27 Ca 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1r48 h LEU 27 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1r48 h LEU 27 CO -0.41 0.90 0.11 0.58 0.09 0.00 0.00 178.44 179.71 1r48 h VAL 28 N 0.88 1.20 -0.85 1.22 2.07 0.15 -1.81 116.25 119.11 1r48 h VAL 28 Ca 0.18 -0.65 0.25 0.00 0.82 0.00 0.00 66.70 67.29 1r48 h VAL 28 Cb 0.40 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1r48 h VAL 28 CO 0.01 0.22 0.61 1.56 0.02 0.00 0.00 177.57 180.00 1r48 h GLN 29 N 0.40 0.00 -0.06 1.57 4.20 -0.54 0.97 115.11 121.64 1r48 h GLN 29 Ca 0.11 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 1r48 h GLN 29 Cb 0.24 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1r48 h GLN 29 CO -0.00 0.00 -0.68 0.37 -0.67 0.00 0.00 178.83 177.84 1r48 h GLN 30 N 0.00 0.28 -2.01 1.46 -0.00 -1.11 -3.37 115.11 110.36 1r48 h GLN 30 Ca 0.40 -0.22 -0.53 0.00 -0.00 0.00 0.00 58.65 58.31 1r48 h GLN 30 Cb 1.62 0.04 -0.40 0.00 0.00 0.00 0.00 27.48 28.74 1r48 h GLN 30 CO -0.01 0.86 -1.12 -2.39 0.00 0.00 0.00 178.83 176.17 1r48 n HIS 31 N -3.83 0.05 0.09 3.99 1.44 0.29 -4.94 115.22 112.32 1r48 n HIS 31 Ca -0.03 -3.69 -0.05 0.00 -2.01 0.00 0.00 57.72 51.94 1r48 n HIS 31 Cb 0.67 -0.39 0.02 0.00 0.12 0.00 0.00 29.99 30.41 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 3.59 0.06 0.00 -1.40 0.13 -0.36 -3.45 132.00 130.57 1r48 h PRO 32 Ca 0.09 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1r48 h PRO 32 Cb 0.90 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1r48 h PRO 32 CO 0.49 0.85 0.00 2.89 -0.23 0.00 0.00 178.00 182.00