#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 0.35 3.52 0.00 0.00 -1.26 -5.06 105.19 102.74 1r48 n GLY 2 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.30 0.00 -0.02 0.00 -1.26 -3.44 105.19 100.16 1r48 n GLY 3 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 11.77 0.00 0.00 1.61 8.00 -1.26 -5.03 116.55 131.65 1r48 n ASP 4 Ca 0.57 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1r48 n ASP 4 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1r48 n ASP 4 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r48 n ASN 5 N -0.92 0.00 0.07 -2.24 4.05 -1.26 -4.81 115.26 110.15 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 0.05 -0.09 0.00 1.23 0.00 0.00 39.78 40.98 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 1.04 -0.72 -1.44 2.04 -1.97 0.66 117.51 117.11 1r48 h ILE 6 Ca 0.00 -0.67 0.16 0.00 1.00 0.00 0.00 64.86 65.35 1r48 h ILE 6 Cb 0.00 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1r48 h ILE 6 CO 0.00 0.16 0.49 -0.08 0.00 0.00 0.00 178.15 178.72 1r48 h GLU 7 N -0.48 0.28 0.16 2.37 4.81 -1.91 0.39 114.58 120.21 1r48 h GLU 7 Ca -0.02 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.90 1r48 h GLU 7 Cb 0.39 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.72 1r48 h GLU 7 CO 0.03 0.18 -1.31 0.37 -0.73 0.00 0.00 179.01 177.55 1r48 h GLN 8 N 0.28 0.36 -0.62 1.92 5.75 -1.77 -3.06 115.11 117.98 1r48 h GLN 8 Ca 0.35 -0.61 -0.02 0.00 -0.15 0.00 0.00 58.65 58.22 1r48 h GLN 8 Cb 0.97 0.23 -0.03 0.00 1.07 0.00 0.00 27.48 29.72 1r48 h GLN 8 CO -0.09 1.29 0.31 0.87 -2.65 0.00 0.00 178.83 178.56 1r48 h LYS 9 N 0.10 0.87 -0.22 1.69 1.57 0.12 -2.71 116.57 118.00 1r48 h LYS 9 Ca -0.17 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1r48 h LYS 9 Cb 2.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 1r48 h LYS 9 CO 0.23 0.67 -0.35 -0.84 -0.57 0.00 0.00 179.45 178.58 1r48 h ILE 10 N 0.87 1.32 -0.99 1.86 3.07 -1.23 -2.96 117.51 119.47 1r48 h ILE 10 Ca 0.22 -1.57 0.25 0.00 1.55 0.00 0.00 64.86 65.31 1r48 h ILE 10 Cb 0.07 1.80 -0.07 0.00 -0.27 0.00 0.00 36.82 38.36 1r48 h ILE 10 CO -0.03 0.49 0.66 -0.78 -1.05 0.00 0.00 178.15 177.44 1r48 h ASP 11 N 0.31 0.33 -0.22 2.16 3.58 -1.37 0.60 116.42 121.81 1r48 h ASP 11 Ca 0.02 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1r48 h ASP 11 Cb 0.94 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1r48 h ASP 11 CO 0.08 0.10 -0.02 -0.78 -2.88 0.00 0.00 179.24 175.74 1r48 h ASP 12 N 0.31 0.40 -0.35 2.28 3.58 -1.36 -2.93 116.42 118.35 1r48 h ASP 12 Ca 0.52 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1r48 h ASP 12 Cb 1.48 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.41 1r48 h ASP 12 CO -0.19 0.63 0.21 0.40 -2.88 0.00 0.00 179.24 177.41 1r48 h ILE 13 N 0.15 1.12 -1.12 2.25 2.04 0.11 -1.95 117.51 120.11 1r48 h ILE 13 Ca 0.06 -0.29 0.31 0.00 1.00 0.00 0.00 64.86 65.94 1r48 h ILE 13 Cb 0.44 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1r48 h ILE 13 CO 0.02 0.12 0.77 -0.78 0.00 0.00 0.00 178.15 178.28 1r48 h ASP 14 N 0.45 0.18 0.81 1.72 3.58 -0.24 1.29 116.42 124.22 1r48 h ASP 14 Ca 0.12 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.46 1r48 h ASP 14 Cb 0.02 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1r48 h ASP 14 CO -0.02 0.03 -0.74 -0.74 -2.88 0.00 0.00 179.24 174.88 1r48 h HIS 15 N 0.15 0.00 0.08 0.28 2.76 -1.18 -2.95 115.15 114.29 1r48 h HIS 15 Ca 0.58 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.47 1r48 h HIS 15 Cb 1.96 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.90 1r48 h HIS 15 CO -0.00 0.74 -1.43 0.93 -1.30 0.00 0.00 177.93 176.87 1r48 h GLU 16 N 0.00 0.17 -0.30 5.26 5.08 0.15 -2.98 114.58 121.96 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 1.35 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1r48 h GLU 16 CO 0.10 1.02 -0.06 0.82 -1.00 0.00 0.00 179.01 179.89 1r48 h ILE 17 N 0.05 1.21 0.11 3.13 2.04 0.08 -2.81 117.51 121.32 1r48 h ILE 17 Ca -0.20 -0.86 -0.27 0.00 1.00 0.00 0.00 64.86 64.53 1r48 h ILE 17 Cb 1.96 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1r48 h ILE 17 CO 0.15 0.29 -1.20 0.00 0.00 0.00 0.00 178.15 177.38 1r48 h ALA 18 N 1.49 0.12 -0.67 1.87 0.00 -1.61 -3.10 119.26 117.35 1r48 h ALA 18 Ca 0.09 -0.82 0.09 0.00 0.00 0.00 0.00 54.91 54.27 1r48 h ALA 18 Cb 0.39 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1r48 h ALA 18 CO 0.02 0.86 0.32 0.22 0.00 0.00 0.00 179.25 180.67 1r48 h ASP 19 N 0.14 0.41 0.14 0.00 3.58 -1.34 -1.27 116.42 118.09 1r48 h ASP 19 Ca -0.14 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1r48 h ASP 19 Cb 1.89 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.94 1r48 h ASP 19 CO 0.21 0.24 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.67 1r48 h LEU 20 N 0.56 -0.16 -1.91 2.28 3.38 -1.61 -2.78 115.31 115.06 1r48 h LEU 20 Ca 0.33 -0.30 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1r48 h LEU 20 Cb 0.34 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1r48 h LEU 20 CO -0.26 0.23 0.66 -0.61 0.09 0.00 0.00 178.44 178.55 1r48 h GLN 21 N -0.58 0.06 -0.00 1.13 4.15 -1.40 0.51 115.11 118.98 1r48 h GLN 21 Ca -0.02 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 1r48 h GLN 21 Cb 0.45 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1r48 h GLN 21 CO 0.03 0.04 -0.81 0.00 -1.93 0.00 0.00 178.83 176.16 1r48 h ALA 22 N 1.55 0.63 -0.12 3.38 0.00 -1.10 -2.94 119.26 120.66 1r48 h ALA 22 Ca 0.45 -0.70 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1r48 h ALA 22 Cb 1.69 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1r48 h ALA 22 CO -0.04 0.92 -0.69 0.87 0.00 0.00 0.00 179.25 180.31 1r48 h LYS 23 N 0.07 0.52 -0.35 0.00 6.56 0.26 -2.57 116.57 121.07 1r48 h LYS 23 Ca -0.03 -0.40 -0.07 0.00 -1.06 0.00 0.00 60.65 59.09 1r48 h LYS 23 Cb 1.41 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 33.14 1r48 h LYS 23 CO 0.12 1.02 -0.07 -0.09 -2.06 0.00 0.00 179.45 178.37 1r48 h ARG 24 N 0.37 0.66 0.42 3.15 2.43 -1.28 -2.71 114.38 117.42 1r48 h ARG 24 Ca -0.02 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1r48 h ARG 24 Cb 1.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1r48 h ARG 24 CO 0.13 0.82 -0.20 1.15 -1.51 0.00 0.00 179.97 180.36 1r48 h THR 25 N 0.45 0.56 -0.92 0.20 2.02 -1.55 -1.89 112.91 111.79 1r48 h THR 25 Ca 0.09 -0.34 0.22 0.00 0.77 0.00 0.00 66.41 67.15 1r48 h THR 25 Cb 0.57 0.72 -0.12 0.00 -1.74 0.00 0.00 68.15 67.58 1r48 h THR 25 CO 0.03 0.06 0.45 0.08 0.37 0.00 0.00 175.52 176.51 1r48 h ARG 26 N -0.77 0.45 -0.63 6.66 0.11 -1.51 0.60 114.38 119.29 1r48 h ARG 26 Ca -0.06 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.93 1r48 h ARG 26 Cb 0.53 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 1r48 h ARG 26 CO 0.09 0.30 0.12 -0.07 0.10 0.00 0.00 179.97 180.51 1r48 h LEU 27 N 0.46 0.96 -0.27 0.08 -0.00 -1.35 -2.80 115.31 112.39 1r48 h LEU 27 Ca 0.57 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 58.24 1r48 h LEU 27 Cb 1.07 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1r48 h LEU 27 CO -0.50 0.94 0.13 0.58 -0.00 0.00 0.00 178.44 179.59 1r48 h VAL 28 N 0.95 1.15 -0.80 1.22 2.07 0.94 -1.69 116.25 120.09 1r48 h VAL 28 Ca 0.20 -0.43 0.22 0.00 0.82 0.00 0.00 66.70 67.51 1r48 h VAL 28 Cb 0.39 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1r48 h VAL 28 CO 0.01 0.15 0.57 1.56 0.02 0.00 0.00 177.57 179.87 1r48 h GLN 29 N 0.30 0.06 -0.01 1.57 1.08 -0.71 0.88 115.11 118.27 1r48 h GLN 29 Ca 0.09 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 1r48 h GLN 29 Cb 0.12 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1r48 h GLN 29 CO -0.01 0.04 -0.61 1.96 -0.95 0.00 0.00 178.83 179.26 1r48 h GLN 30 N 0.06 0.03 -2.02 1.46 4.20 -1.08 -3.36 115.11 114.40 1r48 h GLN 30 Ca 0.38 -0.02 -0.56 0.00 0.06 0.00 0.00 58.65 58.51 1r48 h GLN 30 Cb 1.44 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.83 1r48 h GLN 30 CO -0.03 0.63 -1.07 -2.39 -0.67 0.00 0.00 178.83 175.30 1r48 n HIS 31 N -3.82 -0.09 -0.52 2.96 1.44 0.29 -5.13 115.22 110.35 1r48 n HIS 31 Ca -0.01 -3.60 0.00 0.00 -2.01 0.00 0.00 57.72 52.10 1r48 n HIS 31 Cb 0.61 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.37 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 1.40 -0.39 -0.52 -1.40 -0.04 -0.06 -4.81 135.00 129.18 1r48 n PRO 32 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1r48 n PRO 32 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1r48 n PRO 32 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00