#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 -0.15 -3.46 3.32 -2.05 -0.94 116.42 113.14 3aha h ASP 36 Ca 0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3aha h ASP 36 Cb 0.00 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3aha h ASP 36 CO 0.00 0.60 -0.06 0.40 -1.72 0.00 0.00 179.24 178.46 3aha h ILE 37 N 0.00 1.31 -0.62 0.35 2.04 -2.06 -2.22 117.51 116.31 3aha h ILE 37 Ca -0.01 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3aha h ILE 37 Cb 1.06 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3aha h ILE 37 CO 0.08 0.32 0.37 0.58 0.00 0.00 0.00 178.15 179.49 3aha h VAL 38 N -0.01 1.03 -0.57 1.67 2.07 -1.96 -1.42 116.25 117.07 3aha h VAL 38 Ca 0.04 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.35 3aha h VAL 38 Cb 0.52 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3aha h VAL 38 CO 0.02 0.13 0.32 -0.61 0.02 0.00 0.00 177.57 177.45 3aha h GLN 39 N 0.71 0.60 -0.27 1.57 5.75 -1.18 -2.00 115.11 120.29 3aha h GLN 39 Ca 0.26 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.66 3aha h GLN 39 Cb 0.08 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3aha h GLN 39 CO -0.13 0.40 -0.12 0.37 -2.65 0.00 0.00 178.83 176.70 3aha h GLN 40 N 0.62 0.45 -0.69 1.69 5.75 -0.75 -0.93 115.11 121.24 3aha h GLN 40 Ca 0.25 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3aha h GLN 40 Cb 0.11 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3aha h GLN 40 CO -0.14 0.57 0.23 1.96 -2.65 0.00 0.00 178.83 178.80 3aha h GLN 41 N 0.42 1.06 -0.67 1.69 4.20 -0.70 -1.18 115.11 119.94 3aha h GLN 41 Ca 0.08 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3aha h GLN 41 Cb 0.47 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3aha h GLN 41 CO 0.03 0.89 0.16 -0.97 -0.67 0.00 0.00 178.83 178.27 3aha h ASN 42 N 1.02 1.02 -0.13 1.46 -1.24 -0.67 -0.80 115.58 116.23 3aha h ASN 42 Ca 0.23 -0.24 0.03 0.00 0.71 0.00 0.00 56.30 57.03 3aha h ASN 42 Cb 0.27 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 3aha h ASN 42 CO -0.01 0.99 -0.03 0.78 -1.29 0.00 0.00 177.43 177.87 3aha h ASN 43 N 1.00 -0.12 -0.11 1.15 2.35 -0.74 -1.00 115.58 118.12 3aha h ASN 43 Ca 0.21 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 3aha h ASN 43 Cb 0.37 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3aha h ASN 43 CO 0.00 -0.04 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.30 3aha h LEU 44 N 0.00 0.65 -0.21 1.61 3.38 -1.09 -1.32 115.31 118.33 3aha h LEU 44 Ca 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3aha h LEU 44 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3aha h LEU 44 CO -0.14 0.96 0.12 0.25 0.09 0.00 0.00 178.44 179.73 3aha h LEU 45 N 0.52 0.26 -0.99 1.67 5.85 -0.98 -1.06 115.31 120.57 3aha h LEU 45 Ca 0.05 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3aha h LEU 45 Cb 0.88 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3aha h LEU 45 CO 0.08 0.26 0.61 0.03 -0.34 0.00 0.00 178.44 179.08 3aha h ARG 46 N 0.24 1.30 -0.29 1.25 3.08 -1.00 -0.97 114.38 117.99 3aha h ARG 46 Ca 0.08 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3aha h ARG 46 Cb 0.05 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3aha h ARG 46 CO -0.01 0.88 0.17 0.00 -1.07 0.00 0.00 179.97 179.94 3aha h ALA 47 N 1.35 0.37 -1.01 0.04 0.00 -0.95 -1.73 119.26 117.34 3aha h ALA 47 Ca 0.35 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3aha h ALA 47 Cb -0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 3aha h ALA 47 CO -0.07 -0.11 0.65 0.82 0.00 0.00 0.00 179.25 180.54 3aha h ILE 48 N 0.37 1.12 -0.35 0.00 2.04 -0.84 0.29 117.51 120.13 3aha h ILE 48 Ca 0.10 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3aha h ILE 48 Cb 0.03 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 3aha h ILE 48 CO -0.02 0.22 0.15 -0.33 0.00 0.00 0.00 178.15 178.18 3aha h GLU 49 N 1.21 0.51 -0.44 2.37 5.08 -0.81 -0.84 114.58 121.67 3aha h GLU 49 Ca 0.42 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3aha h GLU 49 Cb 0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3aha h GLU 49 CO -0.16 0.49 0.13 0.00 -1.00 0.00 0.00 179.01 178.46 3aha h ALA 50 N 1.00 0.57 -0.97 3.43 0.00 -0.89 -2.19 119.26 120.22 3aha h ALA 50 Ca 0.12 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3aha h ALA 50 Cb 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3aha h ALA 50 CO -0.01 0.23 0.60 0.37 0.00 0.00 0.00 179.25 180.44 3aha h GLN 51 N 0.57 0.91 -0.64 0.00 5.75 -0.79 -2.16 115.11 118.74 3aha h GLN 51 Ca 0.14 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3aha h GLN 51 Cb 0.28 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3aha h GLN 51 CO -0.00 0.60 0.09 0.37 -2.65 0.00 0.00 178.83 177.24 3aha h GLN 52 N 0.93 1.06 -0.66 1.69 5.75 -0.54 -0.06 115.11 123.28 3aha h GLN 52 Ca 0.49 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3aha h GLN 52 Cb 0.51 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 3aha h GLN 52 CO -0.28 0.99 0.42 0.45 -2.65 0.00 0.00 178.83 177.76 3aha h HIS 53 N 0.98 0.85 -0.58 3.99 3.86 -0.96 -0.76 115.15 122.53 3aha h HIS 53 Ca 0.19 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3aha h HIS 53 Cb 0.45 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3aha h HIS 53 CO 0.03 0.56 0.22 -0.07 0.86 0.00 0.00 177.93 179.53 3aha h LEU 54 N 0.90 0.82 -0.52 2.43 3.38 -1.01 -1.38 115.31 119.93 3aha h LEU 54 Ca 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3aha h LEU 54 Cb -0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3aha h LEU 54 CO -0.05 0.77 0.34 -0.07 0.09 0.00 0.00 178.44 179.52 3aha h LEU 55 N 0.81 0.59 -1.19 1.67 3.38 -0.76 -0.84 115.31 118.97 3aha h LEU 55 Ca 0.19 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3aha h LEU 55 Cb 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3aha h LEU 55 CO -0.01 0.43 0.52 1.56 0.09 0.00 0.00 178.44 181.03 3aha h GLN 56 N 0.70 1.07 -0.67 1.13 4.20 -0.88 -1.52 115.11 119.14 3aha h GLN 56 Ca 0.19 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3aha h GLN 56 Cb -0.08 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.44 3aha h GLN 56 CO -0.04 0.71 0.29 -0.07 -0.67 0.00 0.00 178.83 179.05 3aha h LEU 57 N 1.10 0.91 -0.75 1.46 3.38 -0.60 -1.70 115.31 119.10 3aha h LEU 57 Ca 0.29 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3aha h LEU 57 Cb -0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3aha h LEU 57 CO -0.06 0.82 -0.33 0.71 0.09 0.00 0.00 178.44 179.67 3aha h THR 58 N 0.94 1.29 -0.52 0.22 1.35 -0.69 -1.73 112.91 113.75 3aha h THR 58 Ca 0.23 -1.44 -0.02 0.00 -0.55 0.00 0.00 66.41 64.62 3aha h THR 58 Cb 0.18 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 3aha h THR 58 CO -0.02 0.46 0.26 0.58 -0.25 0.00 0.00 175.52 176.55 3aha h VAL 59 N 0.49 1.19 -0.33 6.82 2.07 -1.11 -1.38 116.25 124.00 3aha h VAL 59 Ca 0.06 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3aha h VAL 59 Cb 0.81 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3aha h VAL 59 CO 0.07 0.21 0.03 -0.25 0.02 0.00 0.00 177.57 177.65 3aha h TRP 60 N 0.70 0.03 -0.45 1.57 7.01 -0.98 -1.20 115.95 122.64 3aha h TRP 60 Ca 0.18 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 3aha h TRP 60 Cb 0.10 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 3aha h TRP 60 CO -0.01 -0.03 0.26 0.78 -2.79 0.00 0.00 178.44 176.65 3aha h GLY 61 N 0.13 0.65 0.98 2.65 0.00 -0.96 -1.20 103.07 105.32 3aha h GLY 61 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3aha h GLY 61 CO -0.25 0.27 0.13 -2.22 0.00 0.00 0.00 176.54 174.47 3aha h ILE 62 N 0.59 1.07 -0.89 2.60 2.04 -1.03 -2.02 117.51 119.88 3aha h ILE 62 Ca 0.16 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3aha h ILE 62 Cb 0.01 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3aha h ILE 62 CO -0.03 0.07 0.57 0.11 0.00 0.00 0.00 178.15 178.87 3aha h LYS 63 N 0.26 1.03 -0.75 2.37 1.57 -0.94 0.43 116.57 120.54 3aha h LYS 63 Ca 0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3aha h LYS 63 Cb 0.00 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 3aha h LYS 63 CO -0.01 0.68 0.39 1.96 -0.57 0.00 0.00 179.45 181.90 3aha h GLN 64 N 1.06 1.05 0.05 3.15 1.08 -0.88 -2.88 115.11 117.74 3aha h GLN 64 Ca 0.37 -0.13 -0.23 0.00 -1.45 0.00 0.00 58.65 57.21 3aha h GLN 64 Cb 0.10 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3aha h GLN 64 CO -0.15 0.79 -1.03 -0.07 -0.95 0.00 0.00 178.83 177.42 3aha h LEU 65 N 1.06 0.30 -0.58 1.46 3.38 -0.79 -3.37 115.31 116.77 3aha h LEU 65 Ca 0.26 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3aha h LEU 65 Cb 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3aha h LEU 65 CO -0.04 1.15 0.36 -0.61 0.09 0.00 0.00 178.44 179.39 3aha h GLN 66 N 0.09 0.69 -0.23 1.13 -0.00 -0.70 -1.52 115.11 114.56 3aha h GLN 66 Ca -0.07 -0.04 0.06 0.00 -0.00 0.00 0.00 58.65 58.60 3aha h GLN 66 Cb 1.72 -0.16 -0.07 0.00 0.00 0.00 0.00 27.48 28.98 3aha h GLN 66 CO 0.16 0.46 -0.26 0.00 0.00 0.00 0.00 178.83 179.18 3aha h ALA 67 N 1.25 -0.18 -0.14 3.38 0.00 -1.71 -3.12 119.26 118.74 3aha h ALA 67 Ca 0.23 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3aha h ALA 67 Cb 0.01 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3aha h ALA 67 CO -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 179.25 178.42 3aha h ARG 68 N -0.28 0.27 0.00 0.00 3.08 -1.61 -3.54 114.38 112.30 3aha h ARG 68 Ca 0.13 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3aha h ARG 68 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3aha h ARG 68 CO -0.39 0.57 0.00 -0.89 -1.07 0.00 0.00 179.97 178.19