#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 -0.68 0.00 0.00 0.00 -1.26 -5.11 105.19 98.14 1r48 n GLY 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.14 1.88 1.13 -0.02 0.00 -1.26 -4.97 105.19 101.81 1r48 n GLY 3 Ca -0.02 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 3.28 -0.04 1.61 8.00 -1.26 -4.32 116.55 123.83 1r48 n ASP 4 Ca 0.00 -2.26 0.23 0.00 0.71 0.00 0.00 54.79 53.48 1r48 n ASP 4 Cb 0.00 -0.45 0.72 0.00 -0.02 0.00 0.00 41.12 41.37 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 2.81 0.00 0.14 -2.24 -0.00 -1.99 0.11 115.58 114.42 1r48 h ASN 5 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.11 1r48 h ASN 5 Cb 1.01 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.35 1r48 h ASN 5 CO 0.14 0.00 -0.84 0.40 -0.00 0.00 0.00 177.43 177.12 1r48 h ILE 6 N 0.00 1.49 -0.15 2.57 2.04 -2.00 -2.97 117.51 118.49 1r48 h ILE 6 Ca 0.30 -2.54 0.04 0.00 1.00 0.00 0.00 64.86 63.66 1r48 h ILE 6 Cb 1.29 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 40.56 1r48 h ILE 6 CO -0.00 0.72 0.14 -0.08 0.00 0.00 0.00 178.15 178.93 1r48 h GLU 7 N -0.36 0.00 0.17 2.37 4.81 -1.13 -1.05 114.58 119.38 1r48 h GLU 7 Ca -0.15 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.86 1r48 h GLU 7 Cb 1.66 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.06 1r48 h GLU 7 CO 0.15 0.00 -0.98 0.37 -0.73 0.00 0.00 179.01 177.82 1r48 h GLN 8 N 0.00 0.37 -0.63 1.92 4.15 -1.21 -2.95 115.11 116.76 1r48 h GLN 8 Ca 0.07 -0.62 0.01 0.00 0.77 0.00 0.00 58.65 58.88 1r48 h GLN 8 Cb 0.36 0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1r48 h GLN 8 CO -0.00 1.30 0.42 -0.22 -1.93 0.00 0.00 178.83 178.39 1r48 h LYS 9 N -0.23 0.82 -0.24 1.69 3.64 -1.09 -2.45 116.57 118.71 1r48 h LYS 9 Ca -0.17 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1r48 h LYS 9 Cb 1.77 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1r48 h LYS 9 CO 0.18 0.54 -0.32 -0.84 -2.27 0.00 0.00 179.45 176.75 1r48 h ILE 10 N 0.85 1.32 -1.05 2.00 3.07 -1.32 -2.93 117.51 119.44 1r48 h ILE 10 Ca 0.23 -1.51 0.28 0.00 1.55 0.00 0.00 64.86 65.41 1r48 h ILE 10 Cb -0.09 1.73 -0.08 0.00 -0.27 0.00 0.00 36.82 38.12 1r48 h ILE 10 CO -0.05 0.47 0.70 -0.78 -1.05 0.00 0.00 178.15 177.44 1r48 h ASP 11 N 0.33 0.31 -0.12 2.16 3.58 -1.25 0.59 116.42 122.01 1r48 h ASP 11 Ca 0.03 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1r48 h ASP 11 Cb 0.90 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1r48 h ASP 11 CO 0.07 0.06 -0.03 0.44 -2.88 0.00 0.00 179.24 176.91 1r48 h ASP 12 N 0.28 0.24 -0.23 2.28 3.32 -1.37 -2.93 116.42 118.01 1r48 h ASP 12 Ca 0.57 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1r48 h ASP 12 Cb 1.67 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1r48 h ASP 12 CO -0.20 0.54 0.14 0.40 -1.72 0.00 0.00 179.24 178.40 1r48 h ILE 13 N -0.07 1.09 -1.13 0.35 2.04 0.04 -2.06 117.51 117.78 1r48 h ILE 13 Ca 0.03 -0.22 0.32 0.00 1.00 0.00 0.00 64.86 65.99 1r48 h ILE 13 Cb 0.44 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1r48 h ILE 13 CO 0.01 0.09 0.78 -0.78 0.00 0.00 0.00 178.15 178.25 1r48 h ASP 14 N 0.28 0.18 0.90 1.72 3.58 -0.20 1.29 116.42 124.16 1r48 h ASP 14 Ca 0.08 0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 1r48 h ASP 14 Cb 0.02 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1r48 h ASP 14 CO -0.02 0.02 -0.71 -0.74 -2.88 0.00 0.00 179.24 174.92 1r48 h HIS 15 N 0.15 0.00 0.08 0.28 2.76 -1.19 -2.95 115.15 114.28 1r48 h HIS 15 Ca 0.58 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.47 1r48 h HIS 15 Cb 1.98 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.92 1r48 h HIS 15 CO -0.00 0.71 -1.46 0.93 -1.30 0.00 0.00 177.93 176.80 1r48 h GLU 16 N 0.00 0.16 -0.28 5.26 4.39 0.16 -2.98 114.58 121.28 1r48 h GLU 16 Ca -0.01 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1r48 h GLU 16 Cb 1.35 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 1r48 h GLU 16 CO 0.09 0.99 -0.07 0.82 -1.16 0.00 0.00 179.01 179.69 1r48 h ILE 17 N 0.04 1.20 0.13 3.13 2.04 0.10 -2.81 117.51 121.35 1r48 h ILE 17 Ca -0.21 -0.87 -0.28 0.00 1.00 0.00 0.00 64.86 64.51 1r48 h ILE 17 Cb 1.97 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1r48 h ILE 17 CO 0.14 0.29 -1.23 0.00 0.00 0.00 0.00 178.15 177.34 1r48 h ALA 18 N 1.50 0.08 -0.70 1.87 0.00 -1.61 -3.09 119.26 117.31 1r48 h ALA 18 Ca 0.09 -0.84 0.10 0.00 0.00 0.00 0.00 54.91 54.26 1r48 h ALA 18 Cb 0.40 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1r48 h ALA 18 CO 0.02 0.86 0.33 0.22 0.00 0.00 0.00 179.25 180.68 1r48 h ASP 19 N 0.14 0.40 0.02 0.00 3.58 -1.34 -1.03 116.42 118.18 1r48 h ASP 19 Ca -0.15 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1r48 h ASP 19 Cb 1.93 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.99 1r48 h ASP 19 CO 0.21 0.22 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.72 1r48 h LEU 20 N 0.55 -0.02 -1.63 2.28 3.38 -1.61 -2.85 115.31 115.41 1r48 h LEU 20 Ca 0.35 -0.43 0.22 0.00 0.09 0.00 0.00 57.88 58.11 1r48 h LEU 20 Cb 0.40 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1r48 h LEU 20 CO -0.29 0.42 0.61 -0.61 0.09 0.00 0.00 178.44 178.66 1r48 h GLN 21 N -0.47 0.29 -0.07 1.13 -0.00 -1.37 0.27 115.11 114.89 1r48 h GLN 21 Ca -0.00 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.65 58.47 1r48 h GLN 21 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 1r48 h GLN 21 CO 0.00 0.19 -0.66 0.00 0.00 0.00 0.00 178.83 178.36 1r48 h ALA 22 N 1.60 0.74 -0.09 3.38 0.00 -1.11 -2.71 119.26 121.07 1r48 h ALA 22 Ca 0.46 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1r48 h ALA 22 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1r48 h ALA 22 CO -0.14 0.76 -0.53 0.87 0.00 0.00 0.00 179.25 180.20 1r48 h LYS 23 N 0.21 0.26 -0.17 0.00 1.57 -0.27 -2.50 116.57 115.67 1r48 h LYS 23 Ca -0.01 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.46 1r48 h LYS 23 Cb 1.20 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1r48 h LYS 23 CO 0.11 0.73 -0.48 -0.09 -0.57 0.00 0.00 179.45 179.15 1r48 h ARG 24 N 0.20 0.62 0.38 3.15 2.43 -1.24 -3.02 114.38 116.91 1r48 h ARG 24 Ca 0.00 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1r48 h ARG 24 Cb 1.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1r48 h ARG 24 CO 0.08 1.06 -0.18 1.15 -1.51 0.00 0.00 179.97 180.57 1r48 h THR 25 N 0.29 0.62 -0.86 0.20 2.02 -1.47 -1.85 112.91 111.86 1r48 h THR 25 Ca -0.01 -0.29 0.20 0.00 0.77 0.00 0.00 66.41 67.08 1r48 h THR 25 Cb 1.09 0.77 -0.12 0.00 -1.74 0.00 0.00 68.15 68.16 1r48 h THR 25 CO 0.10 0.06 0.36 0.08 0.37 0.00 0.00 175.52 176.49 1r48 h ARG 26 N -0.68 0.40 -0.66 6.66 0.11 -1.55 0.54 114.38 119.21 1r48 h ARG 26 Ca -0.05 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.95 1r48 h ARG 26 Cb 0.48 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.45 1r48 h ARG 26 CO 0.09 0.26 0.20 -0.07 0.10 0.00 0.00 179.97 180.55 1r48 h LEU 27 N 0.41 0.94 -0.47 0.08 4.07 -1.38 -2.60 115.31 116.35 1r48 h LEU 27 Ca 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.31 1r48 h LEU 27 Cb 0.95 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 1r48 h LEU 27 CO -0.50 0.88 0.26 0.58 -1.08 0.00 0.00 178.44 178.57 1r48 h VAL 28 N 0.97 1.16 -0.87 1.22 2.07 0.87 -1.38 116.25 120.29 1r48 h VAL 28 Ca 0.21 -0.42 0.21 0.00 0.82 0.00 0.00 66.70 67.53 1r48 h VAL 28 Cb 0.28 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1r48 h VAL 28 CO -0.01 0.17 0.59 1.56 0.02 0.00 0.00 177.57 179.91 1r48 h GLN 29 N 0.62 0.29 -0.09 1.57 7.50 -0.66 0.84 115.11 125.18 1r48 h GLN 29 Ca 0.17 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.21 1r48 h GLN 29 Cb 0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.50 1r48 h GLN 29 CO -0.03 0.19 -0.36 0.37 -1.50 0.00 0.00 178.83 177.50 1r48 h GLN 30 N 0.30 0.19 -2.47 1.46 4.15 -1.06 -3.36 115.11 114.32 1r48 h GLN 30 Ca 0.44 -0.08 -0.59 0.00 0.77 0.00 0.00 58.65 59.19 1r48 h GLN 30 Cb 1.26 -0.01 -0.39 0.00 0.21 0.00 0.00 27.48 28.56 1r48 h GLN 30 CO -0.13 0.54 -0.92 -3.38 -1.93 0.00 0.00 178.83 173.00 1r48 s HIS 31 N -4.23 1.31 0.96 3.99 -3.43 0.28 -5.13 115.29 109.04 1r48 s HIS 31 Ca -0.04 -2.36 -0.12 0.00 -0.80 0.00 0.00 55.06 51.74 1r48 s HIS 31 Cb 0.14 -1.11 0.16 0.00 -1.43 0.00 0.00 32.58 30.34 1r48 s HIS 31 CO 0.76 -0.80 1.09 -1.25 -2.00 0.00 0.00 174.74 172.54 1r48 s PRO 32 N 0.02 0.77 0.00 -0.38 0.04 -0.69 -4.77 135.00 129.99 1r48 s PRO 32 Ca 0.30 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1r48 s PRO 32 Cb -0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1r48 s PRO 32 CO -0.17 -2.56 0.00 0.54 0.04 0.00 0.00 177.00 174.85