#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 1.26 0.00 0.00 0.00 -1.26 -4.91 107.32 102.42 1r48 s GLY 2 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1r48 s GLY 2 CO 0.00 3.51 0.00 0.61 0.00 0.00 0.00 173.10 177.22 1r48 n GLY 3 N 4.77 -0.14 1.38 0.20 0.00 -1.26 -4.73 105.19 105.42 1r48 n GLY 3 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.67 4.47 -0.08 1.61 8.00 -1.26 -4.50 116.55 123.12 1r48 n ASP 4 Ca 0.00 -2.50 0.24 0.00 0.71 0.00 0.00 54.79 53.24 1r48 n ASP 4 Cb 0.00 -0.54 0.71 0.00 -0.02 0.00 0.00 41.12 41.28 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 3.49 0.00 0.13 -2.24 -0.00 -1.96 0.71 115.58 115.71 1r48 h ASN 5 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.09 1r48 h ASN 5 Cb 1.39 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.72 1r48 h ASN 5 CO 0.22 0.00 -1.00 0.40 -0.00 0.00 0.00 177.43 177.05 1r48 h ILE 6 N 0.00 1.35 -0.31 2.57 2.04 -1.93 -3.21 117.51 118.01 1r48 h ILE 6 Ca 0.33 -2.48 0.09 0.00 1.00 0.00 0.00 64.86 63.80 1r48 h ILE 6 Cb 1.36 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 40.45 1r48 h ILE 6 CO -0.00 0.70 0.32 -0.08 0.00 0.00 0.00 178.15 179.08 1r48 h GLU 7 N -0.39 0.00 0.01 2.37 4.57 -1.22 0.36 114.58 120.28 1r48 h GLU 7 Ca -0.20 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.81 1r48 h GLU 7 Cb 1.65 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.26 1r48 h GLU 7 CO 0.11 0.00 -0.68 0.37 -1.18 0.00 0.00 179.01 177.63 1r48 h GLN 8 N 0.00 0.44 -0.65 1.92 4.15 -1.21 -2.31 115.11 117.44 1r48 h GLN 8 Ca 0.15 -0.49 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 1r48 h GLN 8 Cb 0.78 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 1r48 h GLN 8 CO -0.00 1.14 0.40 -0.22 -1.93 0.00 0.00 178.83 178.22 1r48 h LYS 9 N -0.05 0.89 -0.42 1.69 3.64 -0.98 -2.72 116.57 118.61 1r48 h LYS 9 Ca -0.09 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1r48 h LYS 9 Cb 1.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1r48 h LYS 9 CO 0.13 0.63 -0.08 -0.84 -2.27 0.00 0.00 179.45 177.03 1r48 h ILE 10 N 0.89 1.27 -1.09 2.00 3.07 -1.31 -2.69 117.51 119.64 1r48 h ILE 10 Ca 0.23 -1.16 0.30 0.00 1.55 0.00 0.00 64.86 65.78 1r48 h ILE 10 Cb -0.03 1.17 -0.09 0.00 -0.27 0.00 0.00 36.82 37.60 1r48 h ILE 10 CO -0.04 0.39 0.72 -0.78 -1.05 0.00 0.00 178.15 177.39 1r48 h ASP 11 N 0.61 0.34 -0.17 2.16 1.82 -1.10 0.74 116.42 120.82 1r48 h ASP 11 Ca 0.11 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 1r48 h ASP 11 Cb 0.60 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1r48 h ASP 11 CO 0.04 0.04 -0.02 0.44 -1.61 0.00 0.00 179.24 178.13 1r48 h ASP 12 N 0.29 0.31 -0.21 2.28 5.19 -1.31 -2.92 116.42 120.05 1r48 h ASP 12 Ca 0.61 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1r48 h ASP 12 Cb 1.74 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 1r48 h ASP 12 CO -0.26 0.57 0.12 0.40 -3.12 0.00 0.00 179.24 176.95 1r48 h ILE 13 N 0.04 1.10 -1.17 0.35 2.04 0.33 -2.07 117.51 118.14 1r48 h ILE 13 Ca 0.05 -0.26 0.33 0.00 1.00 0.00 0.00 64.86 65.98 1r48 h ILE 13 Cb 0.42 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1r48 h ILE 13 CO 0.01 0.10 0.82 -0.78 0.00 0.00 0.00 178.15 178.30 1r48 h ASP 14 N 0.24 0.12 0.91 1.72 1.82 -0.15 1.34 116.42 122.42 1r48 h ASP 14 Ca 0.07 0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.58 1r48 h ASP 14 Cb 0.05 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 1r48 h ASP 14 CO -0.01 0.01 -0.78 -0.74 -1.61 0.00 0.00 179.24 176.11 1r48 h HIS 15 N 0.10 0.00 0.07 0.28 2.76 -1.18 -2.97 115.15 114.20 1r48 h HIS 15 Ca 0.59 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.48 1r48 h HIS 15 Cb 2.12 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 31.06 1r48 h HIS 15 CO -0.00 0.78 -1.45 0.93 -1.30 0.00 0.00 177.93 176.89 1r48 h GLU 16 N 0.00 0.14 -0.45 5.26 4.39 0.17 -2.94 114.58 121.15 1r48 h GLU 16 Ca -0.01 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 1r48 h GLU 16 Cb 1.45 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 1r48 h GLU 16 CO 0.10 0.96 0.01 0.82 -1.16 0.00 0.00 179.01 179.75 1r48 h ILE 17 N 0.04 1.23 0.07 3.13 2.04 0.08 -2.83 117.51 121.27 1r48 h ILE 17 Ca -0.20 -0.93 -0.25 0.00 1.00 0.00 0.00 64.86 64.49 1r48 h ILE 17 Cb 1.96 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1r48 h ILE 17 CO 0.14 0.33 -1.09 0.00 0.00 0.00 0.00 178.15 177.52 1r48 h ALA 18 N 1.33 0.25 -0.41 1.87 0.00 -1.62 -3.11 119.26 117.57 1r48 h ALA 18 Ca 0.14 -0.80 0.06 0.00 0.00 0.00 0.00 54.91 54.31 1r48 h ALA 18 Cb 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1r48 h ALA 18 CO 0.01 0.91 0.08 0.22 0.00 0.00 0.00 179.25 180.48 1r48 h ASP 19 N 0.13 0.01 0.14 0.00 3.58 -1.31 -1.73 116.42 117.23 1r48 h ASP 19 Ca -0.10 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1r48 h ASP 19 Cb 1.77 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1r48 h ASP 19 CO 0.18 0.04 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.45 1r48 h LEU 20 N 0.21 -0.16 -1.96 2.28 3.38 -1.61 -2.63 115.31 114.83 1r48 h LEU 20 Ca 0.20 -0.16 0.32 0.00 0.09 0.00 0.00 57.88 58.32 1r48 h LEU 20 Cb 0.24 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1r48 h LEU 20 CO -0.26 0.07 0.78 -0.61 0.09 0.00 0.00 178.44 178.52 1r48 h GLN 21 N -0.38 0.02 -0.13 1.13 4.15 -1.41 0.54 115.11 119.02 1r48 h GLN 21 Ca -0.02 -0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.21 1r48 h GLN 21 Cb 0.31 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1r48 h GLN 21 CO 0.03 0.01 -0.70 0.00 -1.93 0.00 0.00 178.83 176.25 1r48 h ALA 22 N 1.46 0.53 -0.18 3.38 0.00 -0.96 -2.75 119.26 120.75 1r48 h ALA 22 Ca 0.53 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1r48 h ALA 22 Cb 2.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1r48 h ALA 22 CO -0.02 0.72 -0.28 0.87 0.00 0.00 0.00 179.25 180.54 1r48 h LYS 23 N 0.40 0.34 -0.19 0.00 1.79 0.25 -2.14 116.57 117.02 1r48 h LYS 23 Ca -0.03 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1r48 h LYS 23 Cb 1.28 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1r48 h LYS 23 CO 0.13 0.59 -0.40 -0.09 -1.08 0.00 0.00 179.45 178.60 1r48 h ARG 24 N 0.30 0.60 0.39 3.15 2.43 -1.34 -2.93 114.38 116.99 1r48 h ARG 24 Ca 0.04 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1r48 h ARG 24 Cb 0.65 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1r48 h ARG 24 CO 0.05 1.02 -0.19 1.15 -1.51 0.00 0.00 179.97 180.49 1r48 h THR 25 N 0.27 0.61 -0.77 0.20 2.02 -1.38 -1.97 112.91 111.89 1r48 h THR 25 Ca 0.00 -0.33 0.17 0.00 0.77 0.00 0.00 66.41 67.03 1r48 h THR 25 Cb 1.01 0.77 -0.11 0.00 -1.74 0.00 0.00 68.15 68.07 1r48 h THR 25 CO 0.09 0.06 0.23 0.08 0.37 0.00 0.00 175.52 176.35 1r48 h ARG 26 N -0.72 0.31 -0.78 6.66 0.11 -1.49 0.53 114.38 119.00 1r48 h ARG 26 Ca -0.05 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 1r48 h ARG 26 Cb 0.50 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 1r48 h ARG 26 CO 0.09 0.20 0.47 -0.07 0.10 0.00 0.00 179.97 180.76 1r48 h LEU 27 N 0.32 0.94 -0.41 0.08 4.07 -1.41 -2.14 115.31 116.76 1r48 h LEU 27 Ca 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.33 1r48 h LEU 27 Cb 0.77 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1r48 h LEU 27 CO -0.50 0.73 0.17 0.58 -1.08 0.00 0.00 178.44 178.33 1r48 h VAL 28 N 1.08 1.19 -0.58 1.22 2.07 0.76 -1.50 116.25 120.49 1r48 h VAL 28 Ca 0.28 -0.59 0.17 0.00 0.82 0.00 0.00 66.70 67.38 1r48 h VAL 28 Cb -0.04 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1r48 h VAL 28 CO -0.05 0.22 0.51 1.56 0.02 0.00 0.00 177.57 179.82 1r48 h GLN 29 N 0.51 0.00 0.00 1.57 1.08 -0.28 0.93 115.11 118.93 1r48 h GLN 29 Ca 0.14 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.15 1r48 h GLN 29 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1r48 h GLN 29 CO -0.01 0.00 -0.86 0.37 -0.95 0.00 0.00 178.83 177.38 1r48 h GLN 30 N 0.00 0.05 -2.02 1.46 4.15 -1.02 -3.37 115.11 114.36 1r48 h GLN 30 Ca 0.28 -0.06 -0.49 0.00 0.77 0.00 0.00 58.65 59.15 1r48 h GLN 30 Cb 1.28 0.02 -0.40 0.00 0.21 0.00 0.00 27.48 28.59 1r48 h GLN 30 CO -0.00 0.88 -1.15 -2.39 -1.93 0.00 0.00 178.83 174.23 1r48 n HIS 31 N -3.56 0.51 0.06 3.99 1.44 0.27 -4.91 115.22 113.02 1r48 n HIS 31 Ca -0.01 -3.83 -0.09 0.00 -2.01 0.00 0.00 57.72 51.78 1r48 n HIS 31 Cb 0.81 -0.43 -0.12 0.00 0.12 0.00 0.00 29.99 30.37 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 3.00 0.04 -0.01 -1.40 0.13 -0.18 -3.45 132.00 130.13 1r48 h PRO 32 Ca 0.10 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1r48 h PRO 32 Cb 0.93 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1r48 h PRO 32 CO 0.53 1.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.85