#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aha h ASP 36 N 0.00 0.00 -0.13 -3.46 3.32 -2.05 -0.76 116.42 113.34 3aha h ASP 36 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3aha h ASP 36 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3aha h ASP 36 CO 0.00 0.36 -0.17 0.40 -1.72 0.00 0.00 179.24 178.11 3aha h ILE 37 N 0.00 1.36 -0.85 0.35 2.04 -2.05 -1.75 117.51 116.62 3aha h ILE 37 Ca -0.00 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 3aha h ILE 37 Cb 0.95 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 3aha h ILE 37 CO 0.05 0.40 0.52 0.58 0.00 0.00 0.00 178.15 179.70 3aha h VAL 38 N -0.05 1.23 -0.66 1.67 2.07 -1.96 -0.92 116.25 117.63 3aha h VAL 38 Ca 0.02 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3aha h VAL 38 Cb 0.73 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3aha h VAL 38 CO 0.04 0.24 0.42 -0.61 0.02 0.00 0.00 177.57 177.68 3aha h GLN 39 N 1.16 0.80 -0.62 1.57 5.75 -1.13 -0.78 115.11 121.86 3aha h GLN 39 Ca 0.30 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.69 3aha h GLN 39 Cb -0.06 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 3aha h GLN 39 CO -0.06 0.53 0.14 0.37 -2.65 0.00 0.00 178.83 177.16 3aha h GLN 40 N 0.82 0.98 -0.90 1.69 5.75 -0.61 -1.17 115.11 121.67 3aha h GLN 40 Ca 0.26 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3aha h GLN 40 Cb 0.00 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 3aha h GLN 40 CO -0.10 0.88 0.50 1.96 -2.65 0.00 0.00 178.83 179.42 3aha h GLN 41 N 0.93 1.25 -0.38 1.69 4.20 -0.64 -0.79 115.11 121.37 3aha h GLN 41 Ca 0.20 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.81 3aha h GLN 41 Cb 0.35 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3aha h GLN 41 CO 0.00 0.91 0.14 -0.97 -0.67 0.00 0.00 178.83 178.25 3aha h ASN 42 N 1.26 0.16 -0.09 1.46 -0.73 -0.63 -0.65 115.58 116.36 3aha h ASN 42 Ca 0.32 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.56 3aha h ASN 42 Cb 0.02 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 3aha h ASN 42 CO -0.05 0.13 -0.13 0.78 -0.37 0.00 0.00 177.43 177.79 3aha h ASN 43 N 0.30 -0.39 -0.23 1.15 2.35 -0.76 -1.00 115.58 117.01 3aha h ASN 43 Ca 0.17 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 3aha h ASN 43 Cb 0.14 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3aha h ASN 43 CO -0.17 -0.17 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.10 3aha h LEU 44 N -0.17 0.74 -0.54 1.61 3.38 -0.91 -1.26 115.31 118.16 3aha h LEU 44 Ca 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3aha h LEU 44 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3aha h LEU 44 CO -0.19 0.97 0.20 0.25 0.09 0.00 0.00 178.44 179.76 3aha h LEU 45 N 0.62 0.75 -1.01 1.67 5.85 -0.93 -0.40 115.31 121.87 3aha h LEU 45 Ca 0.08 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3aha h LEU 45 Cb 0.77 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3aha h LEU 45 CO 0.06 0.73 0.66 0.03 -0.34 0.00 0.00 178.44 179.58 3aha h ARG 46 N 0.74 1.25 -0.34 1.25 3.08 -0.90 -0.19 114.38 119.26 3aha h ARG 46 Ca 0.18 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3aha h ARG 46 Cb 0.22 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3aha h ARG 46 CO -0.01 0.83 0.10 0.00 -1.07 0.00 0.00 179.97 179.81 3aha h ALA 47 N 1.41 0.45 -0.70 0.04 0.00 -0.77 -1.41 119.26 118.27 3aha h ALA 47 Ca 0.40 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3aha h ALA 47 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3aha h ALA 47 CO -0.12 0.09 0.46 0.82 0.00 0.00 0.00 179.25 180.51 3aha h ILE 48 N 0.40 1.17 -0.43 0.00 2.04 -0.68 -0.19 117.51 119.82 3aha h ILE 48 Ca 0.11 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3aha h ILE 48 Cb 0.27 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3aha h ILE 48 CO -0.00 0.17 0.20 -0.33 0.00 0.00 0.00 178.15 178.19 3aha h GLU 49 N 0.94 0.62 -0.64 2.37 5.08 -0.82 0.28 114.58 122.41 3aha h GLU 49 Ca 0.26 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3aha h GLU 49 Cb -0.10 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3aha h GLU 49 CO -0.06 0.54 0.20 0.00 -1.00 0.00 0.00 179.01 178.69 3aha h ALA 50 N 1.04 0.84 -0.36 3.43 0.00 -0.99 -2.38 119.26 120.83 3aha h ALA 50 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3aha h ALA 50 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3aha h ALA 50 CO -0.02 0.51 0.03 1.96 0.00 0.00 0.00 179.25 181.74 3aha h GLN 51 N 0.92 0.55 -0.73 0.00 4.20 -0.75 -2.09 115.11 117.21 3aha h GLN 51 Ca 0.21 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3aha h GLN 51 Cb 0.30 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3aha h GLN 51 CO -0.01 0.55 0.24 0.37 -0.67 0.00 0.00 178.83 179.32 3aha h GLN 52 N 0.53 1.11 -0.56 1.46 5.75 -0.50 0.23 115.11 123.13 3aha h GLN 52 Ca 0.12 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3aha h GLN 52 Cb 0.29 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3aha h GLN 52 CO 0.01 0.93 0.36 0.45 -2.65 0.00 0.00 178.83 177.93 3aha h HIS 53 N 1.07 0.69 -0.49 3.99 3.86 -0.97 -0.17 115.15 123.13 3aha h HIS 53 Ca 0.24 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3aha h HIS 53 Cb 0.28 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3aha h HIS 53 CO 0.02 0.42 0.30 -0.07 0.86 0.00 0.00 177.93 179.46 3aha h LEU 54 N 0.73 0.59 -0.31 2.43 3.38 -0.96 -1.59 115.31 119.57 3aha h LEU 54 Ca 0.21 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3aha h LEU 54 Cb -0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3aha h LEU 54 CO -0.06 0.47 0.16 -0.07 0.09 0.00 0.00 178.44 179.02 3aha h LEU 55 N 0.66 0.23 -0.94 1.67 3.38 -0.70 -0.62 115.31 118.99 3aha h LEU 55 Ca 0.18 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3aha h LEU 55 Cb -0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3aha h LEU 55 CO -0.03 0.17 0.60 1.56 0.09 0.00 0.00 178.44 180.83 3aha h GLN 56 N 0.33 1.08 -0.51 1.13 1.08 -0.85 -0.49 115.11 116.88 3aha h GLN 56 Ca 0.13 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3aha h GLN 56 Cb 0.04 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3aha h GLN 56 CO -0.09 0.71 0.32 -0.07 -0.95 0.00 0.00 178.83 178.75 3aha h LEU 57 N 1.11 0.60 -0.79 1.46 3.38 -0.76 -1.08 115.31 119.23 3aha h LEU 57 Ca 0.40 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.24 3aha h LEU 57 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3aha h LEU 57 CO -0.16 0.46 -0.10 0.71 0.09 0.00 0.00 178.44 179.44 3aha h THR 58 N 0.68 1.26 -0.23 0.22 1.35 -0.46 -1.41 112.91 114.32 3aha h THR 58 Ca 0.18 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3aha h THR 58 Cb -0.04 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3aha h THR 58 CO -0.04 0.40 0.13 0.58 -0.25 0.00 0.00 175.52 176.34 3aha h VAL 59 N 0.74 1.11 -0.46 6.82 2.07 -0.90 -1.09 116.25 124.54 3aha h VAL 59 Ca 0.13 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.43 3aha h VAL 59 Cb 0.59 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3aha h VAL 59 CO 0.04 0.11 0.08 -0.25 0.02 0.00 0.00 177.57 177.56 3aha h TRP 60 N 0.26 0.13 -0.44 1.57 7.01 -0.97 -1.24 115.95 122.27 3aha h TRP 60 Ca 0.08 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3aha h TRP 60 Cb 0.06 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 3aha h TRP 60 CO -0.04 -0.01 0.23 0.78 -2.79 0.00 0.00 178.44 176.62 3aha h GLY 61 N 0.21 0.65 1.02 2.65 0.00 -1.01 -1.40 103.07 105.19 3aha h GLY 61 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3aha h GLY 61 CO -0.31 0.29 0.17 -2.22 0.00 0.00 0.00 176.54 174.48 3aha h ILE 62 N 0.57 1.25 -0.80 2.60 2.04 -0.93 -2.04 117.51 120.20 3aha h ILE 62 Ca 0.15 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3aha h ILE 62 Cb 0.06 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3aha h ILE 62 CO -0.02 0.33 0.42 0.11 0.00 0.00 0.00 178.15 178.99 3aha h LYS 63 N 0.90 1.12 -0.34 2.37 1.57 -0.86 0.21 116.57 121.54 3aha h LYS 63 Ca 0.20 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3aha h LYS 63 Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3aha h LYS 63 CO -0.00 0.83 0.03 1.96 -0.57 0.00 0.00 179.45 181.70 3aha h GLN 64 N 1.12 0.58 -0.52 3.15 1.08 -1.05 -1.51 115.11 117.96 3aha h GLN 64 Ca 0.28 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 3aha h GLN 64 Cb 0.05 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3aha h GLN 64 CO -0.04 0.68 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.39 3aha h LEU 65 N 0.40 0.95 -0.55 1.46 3.38 -1.02 -2.85 115.31 117.08 3aha h LEU 65 Ca 0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3aha h LEU 65 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3aha h LEU 65 CO 0.01 1.05 0.36 -0.61 0.09 0.00 0.00 178.44 179.35 3aha h GLN 66 N 0.82 0.71 -0.55 1.13 4.15 -0.51 -0.11 115.11 120.75 3aha h GLN 66 Ca 0.14 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.57 3aha h GLN 66 Cb 0.60 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3aha h GLN 66 CO 0.04 0.47 0.37 0.00 -1.93 0.00 0.00 178.83 177.78 3aha h ALA 67 N 1.20 1.81 0.13 3.38 0.00 -1.15 -3.08 119.26 121.55 3aha h ALA 67 Ca 0.20 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.82 3aha h ALA 67 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3aha h ALA 67 CO -0.05 0.11 -1.35 0.00 0.00 0.00 0.00 179.25 177.96 3aha h ARG 68 N 0.56 0.28 -0.00 0.00 3.08 -1.19 -3.52 114.38 113.59 3aha h ARG 68 Ca 0.23 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3aha h ARG 68 Cb 0.22 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3aha h ARG 68 CO -0.06 1.23 0.00 1.51 -1.07 0.00 0.00 179.97 181.58