#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r48 s GLY 2 N 0.00 -0.19 -1.55 0.00 0.00 -1.26 -5.04 107.32 99.27 1r48 s GLY 2 Ca 0.00 1.97 -0.09 0.00 0.00 0.00 0.00 44.72 46.60 1r48 s GLY 2 CO 0.00 0.74 2.79 0.61 0.00 0.00 0.00 173.10 177.24 1r48 n GLY 3 N 0.16 4.45 2.63 0.20 0.00 -1.26 -4.50 105.19 106.87 1r48 n GLY 3 Ca -0.01 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 3.44 -5.31 0.04 1.61 9.92 -1.26 -4.82 116.55 120.16 1r48 n ASP 4 Ca 0.73 0.32 0.20 0.00 -0.53 0.00 0.00 54.79 55.52 1r48 n ASP 4 Cb 0.25 -3.97 0.72 0.00 -0.64 0.00 0.00 41.12 37.49 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 0.00 0.00 0.11 -2.24 -0.00 -1.98 -0.09 115.58 111.37 1r48 h ASN 5 Ca -0.27 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 55.88 1r48 h ASN 5 Cb 1.10 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.43 1r48 h ASN 5 CO 0.39 0.00 -0.67 0.40 -0.00 0.00 0.00 177.43 177.55 1r48 h ILE 6 N 0.00 1.55 -0.41 2.57 2.04 -1.92 -3.11 117.51 118.22 1r48 h ILE 6 Ca 0.23 -2.49 0.12 0.00 1.00 0.00 0.00 64.86 63.72 1r48 h ILE 6 Cb 1.01 3.21 -0.02 0.00 -0.74 0.00 0.00 36.82 40.29 1r48 h ILE 6 CO -0.00 0.69 0.33 -0.08 0.00 0.00 0.00 178.15 179.09 1r48 h GLU 7 N -0.52 0.00 0.02 2.37 4.81 -1.44 0.01 114.58 119.83 1r48 h GLU 7 Ca -0.12 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 1r48 h GLU 7 Cb 1.50 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.90 1r48 h GLU 7 CO 0.11 0.00 -0.84 0.37 -0.73 0.00 0.00 179.01 177.92 1r48 h GLN 8 N 0.00 0.54 -0.77 1.92 5.75 -1.30 -2.40 115.11 118.85 1r48 h GLN 8 Ca 0.19 -0.61 -0.03 0.00 -0.15 0.00 0.00 58.65 58.06 1r48 h GLN 8 Cb 0.86 0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 1r48 h GLN 8 CO -0.00 1.22 0.36 0.87 -2.65 0.00 0.00 178.83 178.63 1r48 h LYS 9 N 0.11 1.12 -0.34 1.69 1.57 -0.98 -2.85 116.57 116.89 1r48 h LYS 9 Ca -0.11 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 1r48 h LYS 9 Cb 1.53 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1r48 h LYS 9 CO 0.17 0.88 -0.20 -0.84 -0.57 0.00 0.00 179.45 178.89 1r48 h ILE 10 N 1.10 1.29 -0.99 1.86 3.07 -1.24 -2.82 117.51 119.78 1r48 h ILE 10 Ca 0.26 -1.33 0.25 0.00 1.55 0.00 0.00 64.86 65.59 1r48 h ILE 10 Cb 0.14 1.42 -0.07 0.00 -0.27 0.00 0.00 36.82 38.04 1r48 h ILE 10 CO -0.03 0.43 0.65 -0.78 -1.05 0.00 0.00 178.15 177.38 1r48 h ASP 11 N 0.50 0.36 -0.22 2.16 3.58 -1.20 0.59 116.42 122.18 1r48 h ASP 11 Ca 0.07 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1r48 h ASP 11 Cb 0.75 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1r48 h ASP 11 CO 0.06 0.11 0.02 -0.78 -2.88 0.00 0.00 179.24 175.76 1r48 h ASP 12 N 0.34 0.37 -0.41 2.28 3.58 -1.32 -2.92 116.42 118.34 1r48 h ASP 12 Ca 0.53 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1r48 h ASP 12 Cb 1.45 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.38 1r48 h ASP 12 CO -0.20 0.56 0.23 0.40 -2.88 0.00 0.00 179.24 177.35 1r48 h ILE 13 N 0.17 1.14 -1.17 2.25 2.04 0.06 -2.05 117.51 119.95 1r48 h ILE 13 Ca 0.07 -0.35 0.33 0.00 1.00 0.00 0.00 64.86 65.91 1r48 h ILE 13 Cb 0.36 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1r48 h ILE 13 CO 0.01 0.15 0.80 -0.78 0.00 0.00 0.00 178.15 178.33 1r48 h ASP 14 N 0.53 0.20 0.80 1.72 1.82 -0.15 1.38 116.42 122.72 1r48 h ASP 14 Ca 0.15 0.05 -0.17 0.00 -0.39 0.00 0.00 57.03 56.66 1r48 h ASP 14 Cb 0.03 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1r48 h ASP 14 CO -0.03 0.01 -0.81 -0.74 -1.61 0.00 0.00 179.24 176.07 1r48 h HIS 15 N 0.16 0.01 0.03 0.28 2.76 -1.21 -2.96 115.15 114.22 1r48 h HIS 15 Ca 0.62 -0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.52 1r48 h HIS 15 Cb 2.06 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.99 1r48 h HIS 15 CO -0.00 0.81 -1.35 0.93 -1.30 0.00 0.00 177.93 177.02 1r48 h GLU 16 N 0.00 0.06 -0.31 5.26 4.39 0.17 -3.01 114.58 121.14 1r48 h GLU 16 Ca -0.01 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 1r48 h GLU 16 Cb 1.43 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 1r48 h GLU 16 CO 0.11 0.87 -0.17 0.82 -1.16 0.00 0.00 179.01 179.47 1r48 h ILE 17 N 0.02 1.25 0.07 3.13 2.04 0.31 -2.99 117.51 121.33 1r48 h ILE 17 Ca -0.15 -1.15 -0.27 0.00 1.00 0.00 0.00 64.86 64.29 1r48 h ILE 17 Cb 1.91 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1r48 h ILE 17 CO 0.12 0.38 -1.12 0.00 0.00 0.00 0.00 178.15 177.53 1r48 h ALA 18 N 1.32 0.16 -0.64 1.87 0.00 -1.61 -3.10 119.26 117.26 1r48 h ALA 18 Ca 0.08 -0.77 0.10 0.00 0.00 0.00 0.00 54.91 54.33 1r48 h ALA 18 Cb 0.58 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1r48 h ALA 18 CO 0.04 0.79 0.26 0.22 0.00 0.00 0.00 179.25 180.56 1r48 h ASP 19 N 0.23 0.29 0.08 0.00 3.58 -1.38 -1.29 116.42 117.93 1r48 h ASP 19 Ca -0.13 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1r48 h ASP 19 Cb 1.79 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.88 1r48 h ASP 19 CO 0.20 0.16 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.62 1r48 h LEU 20 N 0.46 -0.09 -1.58 2.28 3.38 -1.61 -2.89 115.31 115.26 1r48 h LEU 20 Ca 0.32 -0.29 0.24 0.00 0.09 0.00 0.00 57.88 58.25 1r48 h LEU 20 Cb 0.39 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1r48 h LEU 20 CO -0.30 0.25 0.64 -0.61 0.09 0.00 0.00 178.44 178.50 1r48 h GLN 21 N -0.43 0.30 -0.19 1.13 -0.00 -1.37 0.31 115.11 114.86 1r48 h GLN 21 Ca -0.01 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.48 1r48 h GLN 21 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 1r48 h GLN 21 CO 0.02 0.20 -0.46 0.00 0.00 0.00 0.00 178.83 178.59 1r48 h ALA 22 N 1.59 0.85 -0.35 3.38 0.00 -1.10 -2.84 119.26 120.79 1r48 h ALA 22 Ca 0.50 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1r48 h ALA 22 Cb 1.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1r48 h ALA 22 CO -0.17 0.66 -0.12 0.87 0.00 0.00 0.00 179.25 180.49 1r48 h LYS 23 N 0.39 0.62 -0.26 0.00 6.56 -0.20 -2.26 116.57 121.42 1r48 h LYS 23 Ca 0.02 -0.19 -0.08 0.00 -1.06 0.00 0.00 60.65 59.34 1r48 h LYS 23 Cb 0.96 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 1r48 h LYS 23 CO 0.08 0.72 -0.16 0.00 -2.06 0.00 0.00 179.45 178.04 1r48 h ARG 24 N 0.57 0.58 0.48 3.15 3.08 -1.30 -2.83 114.38 118.10 1r48 h ARG 24 Ca 0.10 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1r48 h ARG 24 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1r48 h ARG 24 CO 0.03 0.84 -0.23 1.15 -1.07 0.00 0.00 179.97 180.69 1r48 h THR 25 N 0.30 0.50 -0.87 2.04 2.02 -1.39 -1.51 112.91 114.00 1r48 h THR 25 Ca 0.05 -0.22 0.19 0.00 0.77 0.00 0.00 66.41 67.21 1r48 h THR 25 Cb 0.69 0.60 -0.11 0.00 -1.74 0.00 0.00 68.15 67.58 1r48 h THR 25 CO 0.05 0.04 0.40 0.08 0.37 0.00 0.00 175.52 176.45 1r48 h ARG 26 N -0.78 0.46 -0.57 6.66 0.11 -1.49 0.46 114.38 119.23 1r48 h ARG 26 Ca -0.07 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1r48 h ARG 26 Cb 0.56 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.51 1r48 h ARG 26 CO 0.11 0.31 0.11 -0.07 0.10 0.00 0.00 179.97 180.52 1r48 h LEU 27 N 0.48 0.84 -0.40 0.08 4.07 -1.35 -2.66 115.31 116.37 1r48 h LEU 27 Ca 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 58.30 1r48 h LEU 27 Cb 0.90 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1r48 h LEU 27 CO -0.47 0.84 0.21 0.58 -1.08 0.00 0.00 178.44 178.53 1r48 h VAL 28 N 0.85 1.16 -0.83 1.22 2.07 0.92 -1.34 116.25 120.31 1r48 h VAL 28 Ca 0.18 -0.43 0.21 0.00 0.82 0.00 0.00 66.70 67.49 1r48 h VAL 28 Cb 0.35 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1r48 h VAL 28 CO 0.00 0.17 0.57 1.56 0.02 0.00 0.00 177.57 179.90 1r48 h GLN 29 N 0.51 0.17 -0.03 1.57 7.50 -0.72 0.88 115.11 124.99 1r48 h GLN 29 Ca 0.14 -0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.17 1r48 h GLN 29 Cb 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 1r48 h GLN 29 CO -0.02 0.11 -0.51 0.37 -1.50 0.00 0.00 178.83 177.28 1r48 h GLN 30 N 0.17 0.08 -2.09 1.46 5.75 -1.06 -3.36 115.11 116.06 1r48 h GLN 30 Ca 0.41 -0.04 -0.57 0.00 -0.15 0.00 0.00 58.65 58.30 1r48 h GLN 30 Cb 1.34 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.51 1r48 h GLN 30 CO -0.08 0.57 -1.05 -2.39 -2.65 0.00 0.00 178.83 173.24 1r48 n HIS 31 N -3.93 -0.20 0.13 3.99 1.44 0.29 -4.95 115.22 111.99 1r48 n HIS 31 Ca -0.02 -3.56 -0.01 0.00 -2.01 0.00 0.00 57.72 52.13 1r48 n HIS 31 Cb 0.53 -0.25 0.13 0.00 0.12 0.00 0.00 29.99 30.53 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 4.34 0.00 0.00 -1.40 0.13 -1.21 -3.45 132.00 130.42 1r48 h PRO 32 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 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 0.47 0.65 0.00 2.89 -0.23 0.00 0.00 178.00 181.78