#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 4.21 0.00 0.00 0.00 -1.26 -5.08 105.19 103.06 1r48 n GLY 2 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.19 -0.27 0.99 -0.02 0.00 -1.26 -4.79 105.19 98.65 1r48 n GLY 3 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 2.86 -0.03 1.61 9.92 -1.26 -4.28 116.55 125.36 1r48 n ASP 4 Ca 0.00 -2.16 0.23 0.00 -0.53 0.00 0.00 54.79 52.34 1r48 n ASP 4 Cb 0.00 -0.39 0.72 0.00 -0.64 0.00 0.00 41.12 40.81 1r48 n ASP 4 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1r48 h ASN 5 N 2.63 0.00 0.13 -2.24 -0.00 -1.99 0.17 115.58 114.28 1r48 h ASN 5 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 1r48 h ASN 5 Cb 0.83 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.17 1r48 h ASN 5 CO 0.08 0.00 -0.79 0.40 -0.00 0.00 0.00 177.43 177.12 1r48 h ILE 6 N 0.00 1.52 -0.22 2.57 2.04 -1.93 -2.62 117.51 118.87 1r48 h ILE 6 Ca 0.30 -2.52 0.07 0.00 1.00 0.00 0.00 64.86 63.71 1r48 h ILE 6 Cb 1.32 3.18 -0.01 0.00 -0.74 0.00 0.00 36.82 40.57 1r48 h ILE 6 CO -0.00 0.71 0.17 -0.08 0.00 0.00 0.00 178.15 178.95 1r48 h GLU 7 N -0.37 0.00 0.22 2.37 4.81 -1.03 0.20 114.58 120.77 1r48 h GLU 7 Ca -0.14 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.77 1r48 h GLU 7 Cb 1.62 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.03 1r48 h GLU 7 CO 0.15 0.00 -1.47 0.37 -0.73 0.00 0.00 179.01 177.33 1r48 h GLN 8 N 0.00 0.47 -0.34 1.92 5.75 -1.19 -3.03 115.11 118.68 1r48 h GLN 8 Ca 0.11 -0.80 -0.02 0.00 -0.15 0.00 0.00 58.65 57.78 1r48 h GLN 8 Cb 0.45 0.30 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 1r48 h GLN 8 CO -0.00 1.38 0.11 -0.22 -2.65 0.00 0.00 178.83 177.45 1r48 h LYS 9 N 0.06 0.49 -0.16 1.69 3.64 -0.85 -2.67 116.57 118.76 1r48 h LYS 9 Ca -0.27 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 58.91 1r48 h LYS 9 Cb 2.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1r48 h LYS 9 CO 0.23 0.43 -0.41 -0.84 -2.27 0.00 0.00 179.45 176.59 1r48 h ILE 10 N 0.48 1.34 -0.96 2.00 3.07 -1.08 -3.00 117.51 119.36 1r48 h ILE 10 Ca 0.12 -1.67 0.24 0.00 1.55 0.00 0.00 64.86 65.09 1r48 h ILE 10 Cb 0.14 1.98 -0.07 0.00 -0.27 0.00 0.00 36.82 38.61 1r48 h ILE 10 CO -0.01 0.51 0.64 -0.78 -1.05 0.00 0.00 178.15 177.46 1r48 h ASP 11 N 0.21 0.35 -0.17 2.16 3.58 -1.35 0.48 116.42 121.68 1r48 h ASP 11 Ca -0.01 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1r48 h ASP 11 Cb 1.02 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1r48 h ASP 11 CO 0.09 0.11 -0.01 0.44 -2.88 0.00 0.00 179.24 176.99 1r48 h ASP 12 N 0.33 0.31 -0.34 2.28 5.19 -1.41 -2.95 116.42 119.83 1r48 h ASP 12 Ca 0.51 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1r48 h ASP 12 Cb 1.40 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1r48 h ASP 12 CO -0.18 0.57 0.20 0.40 -3.12 0.00 0.00 179.24 177.11 1r48 h ILE 13 N 0.05 1.11 -1.14 0.35 2.04 -0.15 -2.02 117.51 117.76 1r48 h ILE 13 Ca 0.05 -0.27 0.32 0.00 1.00 0.00 0.00 64.86 65.96 1r48 h ILE 13 Cb 0.42 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1r48 h ILE 13 CO 0.01 0.11 0.78 -0.78 0.00 0.00 0.00 178.15 178.27 1r48 h ASP 14 N 0.44 0.20 0.88 1.72 3.58 -0.24 1.32 116.42 124.33 1r48 h ASP 14 Ca 0.12 0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.46 1r48 h ASP 14 Cb 0.01 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1r48 h ASP 14 CO -0.02 0.02 -0.72 -0.74 -2.88 0.00 0.00 179.24 174.90 1r48 h HIS 15 N 0.17 0.00 0.07 0.28 2.76 -1.20 -2.95 115.15 114.27 1r48 h HIS 15 Ca 0.60 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.49 1r48 h HIS 15 Cb 1.97 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.91 1r48 h HIS 15 CO -0.00 0.72 -1.43 0.93 -1.30 0.00 0.00 177.93 176.85 1r48 h GLU 16 N 0.00 0.14 -0.33 5.26 5.08 0.16 -2.99 114.58 121.90 1r48 h GLU 16 Ca -0.01 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1r48 h GLU 16 Cb 1.36 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1r48 h GLU 16 CO 0.09 0.98 -0.06 0.82 -1.00 0.00 0.00 179.01 179.85 1r48 h ILE 17 N 0.04 1.21 0.10 3.13 2.04 0.15 -2.84 117.51 121.35 1r48 h ILE 17 Ca -0.19 -0.90 -0.27 0.00 1.00 0.00 0.00 64.86 64.50 1r48 h ILE 17 Cb 1.95 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1r48 h ILE 17 CO 0.14 0.30 -1.17 0.00 0.00 0.00 0.00 178.15 177.43 1r48 h ALA 18 N 1.44 0.15 -0.32 1.87 0.00 -1.61 -3.11 119.26 117.67 1r48 h ALA 18 Ca 0.10 -0.81 0.05 0.00 0.00 0.00 0.00 54.91 54.25 1r48 h ALA 18 Cb 0.41 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1r48 h ALA 18 CO 0.02 0.86 0.03 0.22 0.00 0.00 0.00 179.25 180.37 1r48 h ASP 19 N 0.16 -0.07 0.19 0.00 3.58 -1.35 -1.85 116.42 117.08 1r48 h ASP 19 Ca -0.14 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1r48 h ASP 19 Cb 1.85 0.11 0.00 0.00 1.72 0.00 0.00 39.33 43.01 1r48 h ASP 19 CO 0.20 -0.00 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.40 1r48 h LEU 20 N 0.13 -0.22 -1.97 2.28 3.38 -1.62 -2.56 115.31 114.74 1r48 h LEU 20 Ca 0.16 -0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.33 1r48 h LEU 20 Cb 0.20 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1r48 h LEU 20 CO -0.24 -0.04 0.74 -0.61 0.09 0.00 0.00 178.44 178.39 1r48 h GLN 21 N -0.39 0.02 -0.09 1.13 4.15 -1.42 0.52 115.11 119.03 1r48 h GLN 21 Ca -0.03 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 1r48 h GLN 21 Cb 0.30 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1r48 h GLN 21 CO 0.04 0.01 -0.69 0.00 -1.93 0.00 0.00 178.83 176.26 1r48 h ALA 22 N 1.49 0.64 -0.20 3.38 0.00 -0.93 -2.88 119.26 120.76 1r48 h ALA 22 Ca 0.50 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1r48 h ALA 22 Cb 1.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1r48 h ALA 22 CO -0.02 0.75 -0.26 0.87 0.00 0.00 0.00 179.25 180.59 1r48 h LYS 23 N 0.27 0.37 -0.08 0.00 1.79 0.23 -2.40 116.57 116.74 1r48 h LYS 23 Ca -0.02 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.26 1r48 h LYS 23 Cb 1.26 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1r48 h LYS 23 CO 0.12 0.61 -0.17 0.00 -1.08 0.00 0.00 179.45 178.92 1r48 h ARG 24 N 0.33 0.26 0.25 3.15 3.08 -1.40 -2.95 114.38 117.09 1r48 h ARG 24 Ca 0.05 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1r48 h ARG 24 Cb 0.64 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1r48 h ARG 24 CO 0.05 0.77 -0.16 1.15 -1.07 0.00 0.00 179.97 180.70 1r48 h THR 25 N -0.22 0.65 -0.76 2.04 2.02 -1.46 -0.69 112.91 114.49 1r48 h THR 25 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1r48 h THR 25 Cb 0.76 0.65 -0.10 0.00 -1.74 0.00 0.00 68.15 67.73 1r48 h THR 25 CO 0.04 0.00 0.30 0.08 0.37 0.00 0.00 175.52 176.30 1r48 h ARG 26 N -0.41 0.41 -0.35 6.66 0.11 -1.53 0.28 114.38 119.55 1r48 h ARG 26 Ca -0.02 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 59.96 1r48 h ARG 26 Cb 0.34 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1r48 h ARG 26 CO 0.02 0.27 -0.08 -0.07 0.10 0.00 0.00 179.97 180.21 1r48 h LEU 27 N 0.43 0.57 -0.24 0.08 4.07 -1.30 -2.82 115.31 116.09 1r48 h LEU 27 Ca 0.42 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.23 1r48 h LEU 27 Cb 0.66 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1r48 h LEU 27 CO -0.42 0.69 0.09 0.58 -1.08 0.00 0.00 178.44 178.30 1r48 h VAL 28 N 0.55 1.18 -0.89 1.22 2.07 0.10 -2.05 116.25 118.43 1r48 h VAL 28 Ca 0.11 -0.56 0.22 0.00 0.82 0.00 0.00 66.70 67.28 1r48 h VAL 28 Cb 0.47 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1r48 h VAL 28 CO 0.03 0.18 0.60 1.56 0.02 0.00 0.00 177.57 179.96 1r48 h GLN 29 N 0.24 0.28 -0.08 1.57 4.20 -0.80 0.92 115.11 121.42 1r48 h GLN 29 Ca 0.08 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1r48 h GLN 29 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1r48 h GLN 29 CO -0.00 0.18 -0.40 0.37 -0.67 0.00 0.00 178.83 178.31 1r48 h GLN 30 N 0.29 0.18 -1.93 1.46 -0.00 -1.21 -3.36 115.11 110.54 1r48 h GLN 30 Ca 0.46 -0.08 -0.51 0.00 -0.00 0.00 0.00 58.65 58.51 1r48 h GLN 30 Cb 1.32 -0.00 -0.35 0.00 0.00 0.00 0.00 27.48 28.45 1r48 h GLN 30 CO -0.13 0.56 -0.95 -2.39 0.00 0.00 0.00 178.83 175.91 1r48 n HIS 31 N -4.04 -1.15 -0.83 3.99 1.44 0.29 -5.13 115.22 109.79 1r48 n HIS 31 Ca -0.01 -3.12 -0.16 0.00 -2.01 0.00 0.00 57.72 52.42 1r48 n HIS 31 Cb 0.46 0.23 0.13 0.00 0.12 0.00 0.00 29.99 30.93 1r48 n HIS 31 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1r48 n PRO 32 N 2.21 -2.04 -0.07 -1.40 -0.04 0.32 -4.77 135.00 129.21 1r48 n PRO 32 Ca 0.24 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1r48 n PRO 32 Cb 0.52 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1r48 n PRO 32 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35