#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 -0.05 0.00 0.00 0.00 -1.26 -5.13 107.32 100.88 1r48 s GLY 2 Ca 0.00 2.79 0.00 0.00 0.00 0.00 0.00 44.72 47.51 1r48 s GLY 2 CO 0.00 1.73 0.00 0.61 0.00 0.00 0.00 173.10 175.44 1r48 n GLY 3 N 1.83 0.38 1.04 0.20 0.00 -1.26 -4.97 105.19 102.42 1r48 n GLY 3 Ca -0.11 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.46 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 3.01 -0.02 1.61 9.92 -1.26 -4.29 116.55 125.53 1r48 n ASP 4 Ca 0.00 -2.18 0.23 0.00 -0.53 0.00 0.00 54.79 52.31 1r48 n ASP 4 Cb 0.00 -0.41 0.72 0.00 -0.64 0.00 0.00 41.12 40.79 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 2.74 0.00 0.14 -2.24 -0.00 -2.00 0.13 115.58 114.35 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 0.89 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.23 1r48 h ASN 5 CO 0.10 0.00 -0.80 0.40 -0.00 0.00 0.00 177.43 177.13 1r48 h ILE 6 N 0.00 1.52 -0.29 2.57 2.04 -2.00 -2.74 117.51 118.62 1r48 h ILE 6 Ca 0.28 -2.52 0.08 0.00 1.00 0.00 0.00 64.86 63.70 1r48 h ILE 6 Cb 1.27 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 40.53 1r48 h ILE 6 CO -0.00 0.71 0.22 -0.08 0.00 0.00 0.00 178.15 179.00 1r48 h GLU 7 N -0.37 0.00 0.19 2.37 4.22 -1.08 -0.12 114.58 119.79 1r48 h GLU 7 Ca -0.14 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.03 1r48 h GLU 7 Cb 1.63 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.90 1r48 h GLU 7 CO 0.15 0.00 -1.21 0.37 -2.18 0.00 0.00 179.01 176.14 1r48 h GLN 8 N 0.00 0.41 -0.46 1.92 5.75 -1.27 -3.00 115.11 118.46 1r48 h GLN 8 Ca 0.14 -0.69 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 1r48 h GLN 8 Cb 0.58 0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 1r48 h GLN 8 CO -0.00 1.33 0.29 -0.22 -2.65 0.00 0.00 178.83 177.58 1r48 h LYS 9 N -0.12 0.61 -0.17 1.69 3.64 -0.91 -2.47 116.57 118.85 1r48 h LYS 9 Ca -0.22 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1r48 h LYS 9 Cb 1.91 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1r48 h LYS 9 CO 0.20 0.42 -0.39 -0.84 -2.27 0.00 0.00 179.45 176.56 1r48 h ILE 10 N 0.63 1.34 -1.07 2.00 3.07 -1.15 -3.00 117.51 119.33 1r48 h ILE 10 Ca 0.17 -1.65 0.29 0.00 1.55 0.00 0.00 64.86 65.22 1r48 h ILE 10 Cb -0.05 1.96 -0.08 0.00 -0.27 0.00 0.00 36.82 38.38 1r48 h ILE 10 CO -0.03 0.50 0.71 -0.78 -1.05 0.00 0.00 178.15 177.50 1r48 h ASP 11 N 0.21 0.32 -0.04 2.16 1.82 -1.29 0.53 116.42 120.13 1r48 h ASP 11 Ca -0.00 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1r48 h ASP 11 Cb 1.00 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.02 1r48 h ASP 11 CO 0.09 0.05 -0.01 0.44 -1.61 0.00 0.00 179.24 178.20 1r48 h ASP 12 N 0.28 0.07 -0.29 2.28 3.32 -1.39 -2.93 116.42 117.75 1r48 h ASP 12 Ca 0.59 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1r48 h ASP 12 Cb 1.72 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 1r48 h ASP 12 CO -0.22 0.40 0.18 0.40 -1.72 0.00 0.00 179.24 178.28 1r48 h ILE 13 N -0.27 1.05 -1.11 0.35 2.04 -0.07 -1.80 117.51 117.70 1r48 h ILE 13 Ca 0.01 -0.13 0.31 0.00 1.00 0.00 0.00 64.86 66.05 1r48 h ILE 13 Cb 0.37 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1r48 h ILE 13 CO 0.00 0.07 0.76 -0.78 0.00 0.00 0.00 178.15 178.20 1r48 h ASP 14 N 0.37 0.19 0.91 1.72 3.58 -0.23 1.33 116.42 124.28 1r48 h ASP 14 Ca 0.11 0.04 -0.14 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 41.02 1r48 h ASP 14 CO -0.04 0.03 -0.66 -0.74 -2.88 0.00 0.00 179.24 174.95 1r48 h HIS 15 N 0.17 0.00 0.08 0.28 2.76 -1.15 -2.95 115.15 114.34 1r48 h HIS 15 Ca 0.58 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.46 1r48 h HIS 15 Cb 1.93 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.87 1r48 h HIS 15 CO -0.00 0.66 -1.47 0.93 -1.30 0.00 0.00 177.93 176.74 1r48 h GLU 16 N 0.00 0.16 -0.29 5.26 5.08 0.17 -2.98 114.58 121.99 1r48 h GLU 16 Ca -0.01 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1r48 h GLU 16 Cb 1.29 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1r48 h GLU 16 CO 0.09 0.99 -0.05 0.82 -1.00 0.00 0.00 179.01 179.86 1r48 h ILE 17 N 0.04 1.20 0.15 3.13 2.04 0.07 -2.81 117.51 121.33 1r48 h ILE 17 Ca -0.21 -0.82 -0.29 0.00 1.00 0.00 0.00 64.86 64.54 1r48 h ILE 17 Cb 1.97 1.04 0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1r48 h ILE 17 CO 0.14 0.27 -1.29 0.00 0.00 0.00 0.00 178.15 177.28 1r48 h ALA 18 N 1.52 0.03 -0.73 1.87 0.00 -1.61 -3.11 119.26 117.23 1r48 h ALA 18 Ca 0.09 -0.85 0.10 0.00 0.00 0.00 0.00 54.91 54.26 1r48 h ALA 18 Cb 0.37 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1r48 h ALA 18 CO 0.02 0.84 0.35 -0.44 0.00 0.00 0.00 179.25 180.02 1r48 h ASP 19 N 0.13 0.44 0.04 0.00 5.19 -1.33 -0.89 116.42 120.00 1r48 h ASP 19 Ca -0.17 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1r48 h ASP 19 Cb 1.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.50 1r48 h ASP 19 CO 0.23 0.24 -0.02 -0.07 -3.12 0.00 0.00 179.24 176.49 1r48 h LEU 20 N 0.58 -0.05 -1.54 1.55 3.38 -1.62 -2.80 115.31 114.82 1r48 h LEU 20 Ca 0.37 -0.42 0.22 0.00 0.09 0.00 0.00 57.88 58.15 1r48 h LEU 20 Cb 0.43 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1r48 h LEU 20 CO -0.30 0.40 0.62 -0.61 0.09 0.00 0.00 178.44 178.65 1r48 h GLN 21 N -0.51 0.35 -0.04 1.13 -0.00 -1.38 0.36 115.11 115.03 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 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 1r48 h GLN 21 CO 0.01 0.23 -0.63 0.00 0.00 0.00 0.00 178.83 178.44 1r48 h ALA 22 N 1.60 0.88 -0.10 3.38 0.00 -1.09 -2.94 119.26 120.99 1r48 h ALA 22 Ca 0.49 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1r48 h ALA 22 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1r48 h ALA 22 CO -0.18 0.76 -0.44 0.87 0.00 0.00 0.00 179.25 180.26 1r48 h LYS 23 N 0.10 0.24 -0.09 0.00 1.57 -0.03 -2.32 116.57 116.05 1r48 h LYS 23 Ca -0.01 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1r48 h LYS 23 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1r48 h LYS 23 CO 0.09 0.64 -0.15 0.00 -0.57 0.00 0.00 179.45 179.46 1r48 h ARG 24 N 0.20 0.26 0.52 3.15 3.08 -1.28 -2.81 114.38 117.50 1r48 h ARG 24 Ca 0.01 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1r48 h ARG 24 Cb 0.86 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.94 1r48 h ARG 24 CO 0.07 0.74 -0.25 1.15 -1.07 0.00 0.00 179.97 180.61 1r48 h THR 25 N -0.19 0.46 -0.85 2.04 2.02 -1.51 -1.39 112.91 113.49 1r48 h THR 25 Ca 0.01 -0.17 0.19 0.00 0.77 0.00 0.00 66.41 67.21 1r48 h THR 25 Cb 0.73 0.54 -0.12 0.00 -1.74 0.00 0.00 68.15 67.56 1r48 h THR 25 CO 0.03 0.03 0.34 0.08 0.37 0.00 0.00 175.52 176.38 1r48 h ARG 26 N -0.81 0.39 -0.75 6.66 -0.00 -1.53 0.55 114.38 118.90 1r48 h ARG 26 Ca -0.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.85 1r48 h ARG 26 Cb 0.58 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.97 30.43 1r48 h ARG 26 CO 0.12 0.26 0.32 -0.07 -0.00 0.00 0.00 179.97 180.60 1r48 h LEU 27 N 0.41 1.00 -0.44 0.08 3.38 -1.31 -2.49 115.31 115.93 1r48 h LEU 27 Ca 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1r48 h LEU 27 Cb 0.90 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1r48 h LEU 27 CO -0.49 0.87 0.22 0.58 0.09 0.00 0.00 178.44 179.71 1r48 h VAL 28 N 1.08 1.17 -0.82 1.22 2.07 0.11 -1.39 116.25 119.69 1r48 h VAL 28 Ca 0.25 -0.47 0.23 0.00 0.82 0.00 0.00 66.70 67.53 1r48 h VAL 28 Cb 0.17 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1r48 h VAL 28 CO -0.03 0.19 0.58 1.56 0.02 0.00 0.00 177.57 179.89 1r48 h GLN 29 N 0.57 0.08 -0.06 1.57 4.20 -0.52 0.87 115.11 121.81 1r48 h GLN 29 Ca 0.15 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 1r48 h GLN 29 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1r48 h GLN 29 CO -0.02 0.05 -0.58 0.37 -0.67 0.00 0.00 178.83 177.98 1r48 h GLN 30 N 0.08 0.19 -2.06 1.46 4.15 -1.04 -3.36 115.11 114.53 1r48 h GLN 30 Ca 0.40 -0.12 -0.57 0.00 0.77 0.00 0.00 58.65 59.13 1r48 h GLN 30 Cb 1.47 0.02 -0.40 0.00 0.21 0.00 0.00 27.48 28.78 1r48 h GLN 30 CO -0.04 0.71 -0.99 -2.39 -1.93 0.00 0.00 178.83 174.19 1r48 n HIS 31 N -3.88 0.49 0.09 3.99 1.44 0.28 -4.93 115.22 112.70 1r48 n HIS 31 Ca -0.02 -3.69 -0.05 0.00 -2.01 0.00 0.00 57.72 51.95 1r48 n HIS 31 Cb 0.60 -0.38 -0.01 0.00 0.12 0.00 0.00 29.99 30.31 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 4.08 0.01 0.00 -1.40 0.13 -1.21 -3.45 132.00 130.17 1r48 h PRO 32 Ca 0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1r48 h PRO 32 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1r48 h PRO 32 CO 0.54 0.86 0.00 2.89 -0.23 0.00 0.00 178.00 182.06