#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1u n TYR 27 N 0.00 0.00 -3.55 -0.32 4.01 -1.26 -5.05 117.16 111.00 1a1u n TYR 27 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1a1u n TYR 27 Cb 0.00 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 38.76 1a1u n TYR 27 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1a1u s PHE 28 N -0.82 -0.49 -0.21 -0.72 0.40 -1.26 -5.18 117.98 109.69 1a1u s PHE 28 Ca 0.00 0.80 -0.27 0.00 -0.60 0.00 0.00 56.93 56.86 1a1u s PHE 28 Cb 0.00 0.44 0.10 0.00 0.51 0.00 0.00 43.02 44.07 1a1u s PHE 28 CO 0.00 -0.48 0.86 -0.08 0.70 0.00 0.00 175.22 176.23 1a1u s THR 29 N -1.33 0.00 -0.57 0.64 -1.32 -1.26 -5.10 115.64 106.71 1a1u s THR 29 Ca -0.05 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.24 1a1u s THR 29 Cb -0.00 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.07 1a1u s THR 29 CO 0.04 0.00 0.69 -0.76 -2.21 0.00 0.00 174.62 172.38 1a1u s LEU 30 N -0.22 5.18 0.79 9.08 1.02 -1.26 -5.04 118.68 128.22 1a1u s LEU 30 Ca -0.01 -1.22 -0.11 0.00 0.02 0.00 0.00 54.13 52.80 1a1u s LEU 30 Cb -0.03 -2.36 0.06 0.00 0.02 0.00 0.00 46.19 43.88 1a1u s LEU 30 CO 0.00 -1.06 1.09 -1.58 0.02 0.00 0.00 176.35 174.82 1a1u s GLN 31 N 2.75 2.17 0.01 1.70 0.74 -1.26 -5.02 119.66 120.75 1a1u s GLN 31 Ca 0.13 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.54 1a1u s GLN 31 Cb -0.22 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 31.99 1a1u s GLN 31 CO 0.08 -1.66 0.00 -0.89 -0.55 0.00 0.00 175.29 172.28 1a1u n ILE 32 N -3.51 0.02 -0.89 -2.34 2.08 -1.26 -5.11 119.36 108.36 1a1u n ILE 32 Ca 0.08 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1a1u n ILE 32 Cb 0.54 -0.61 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 1a1u n ILE 32 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1a1u n ARG 33 N -2.53 0.00 0.00 0.38 0.63 -1.26 -4.96 116.66 108.92 1a1u n ARG 33 Ca 0.00 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1a1u n ARG 33 Cb 0.00 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.32 1a1u n ARG 33 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a1u n GLY 34 N 0.17 3.32 0.39 5.14 0.00 -1.26 -4.67 105.19 108.29 1a1u n GLY 34 Ca 0.00 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 1a1u n GLY 34 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a1u h ARG 35 N 0.00 -0.95 -1.30 1.61 1.12 -2.01 -1.85 114.38 111.01 1a1u h ARG 35 Ca 0.00 0.06 0.38 0.00 -1.11 0.00 0.00 59.98 59.31 1a1u h ARG 35 Cb 0.00 0.22 -0.06 0.00 -0.01 0.00 0.00 29.97 30.11 1a1u h ARG 35 CO 0.00 -0.64 0.92 1.49 -3.11 0.00 0.00 179.97 178.63 1a1u h GLU 36 N -1.06 0.05 -0.33 0.20 4.81 -1.99 0.36 114.58 116.62 1a1u h GLU 36 Ca -0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1a1u h GLU 36 Cb 0.76 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1a1u h GLU 36 CO 0.17 0.04 0.08 0.00 -0.73 0.00 0.00 179.01 178.56 1a1u h ARG 37 N 0.06 0.53 -0.44 1.92 3.08 -1.63 -0.03 114.38 117.87 1a1u h ARG 37 Ca 0.64 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.52 1a1u h ARG 37 Cb 2.42 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 32.38 1a1u h ARG 37 CO -0.07 0.59 0.12 0.35 -1.07 0.00 0.00 179.97 179.89 1a1u h PHE 38 N 0.38 0.72 -0.37 3.04 3.57 0.22 -2.89 116.94 121.62 1a1u h PHE 38 Ca 0.10 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1a1u h PHE 38 Cb 0.30 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 1a1u h PHE 38 CO 0.02 0.66 -0.01 1.49 -2.23 0.00 0.00 178.31 178.24 1a1u h GLU 39 N 0.57 0.09 -1.07 1.11 4.81 -1.34 0.20 114.58 118.95 1a1u h GLU 39 Ca 0.14 -0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.65 1a1u h GLU 39 Cb 0.29 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 1a1u h GLU 39 CO -0.00 0.06 0.68 0.87 -0.73 0.00 0.00 179.01 179.89 1a1u h LYS 40 N 0.09 0.36 0.00 1.92 1.79 -0.84 0.49 116.57 120.38 1a1u h LYS 40 Ca 0.18 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.52 1a1u h LYS 40 Cb 0.25 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1a1u h LYS 40 CO -0.31 0.24 -0.53 0.82 -1.08 0.00 0.00 179.45 178.58 1a1u h ILE 41 N 0.37 1.08 -0.54 1.86 1.08 -0.42 -0.35 117.51 120.59 1a1u h ILE 41 Ca 0.62 -2.06 -0.04 0.00 -0.39 0.00 0.00 64.86 62.99 1a1u h ILE 41 Cb 1.61 2.22 -0.02 0.00 -3.07 0.00 0.00 36.82 37.56 1a1u h ILE 41 CO -0.32 0.52 0.18 0.03 -0.69 0.00 0.00 178.15 177.87 1a1u h ARG 42 N 0.00 0.83 -0.30 2.37 2.47 0.69 -0.17 114.38 120.26 1a1u h ARG 42 Ca -0.01 -0.17 -0.12 0.00 -1.26 0.00 0.00 59.98 58.42 1a1u h ARG 42 Cb 1.18 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.36 1a1u h ARG 42 CO 0.07 0.76 -0.30 0.93 0.56 0.00 0.00 179.97 181.99 1a1u h GLU 43 N 0.74 0.63 -0.15 0.04 5.08 -1.39 -0.75 114.58 118.79 1a1u h GLU 43 Ca 0.17 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1a1u h GLU 43 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1a1u h GLU 43 CO -0.01 0.86 0.13 -0.92 -1.00 0.00 0.00 179.01 178.07 1a1u h TYR 44 N 0.54 0.00 -0.00 4.33 5.03 -0.58 0.17 116.97 126.46 1a1u h TYR 44 Ca 0.07 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.20 1a1u h TYR 44 Cb 0.79 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.04 1a1u h TYR 44 CO 0.03 0.00 -0.80 -0.91 -1.32 0.00 0.00 178.16 175.16 1a1u h ASN 45 N 0.00 0.05 -0.54 -2.11 2.35 0.50 -2.92 115.58 112.91 1a1u h ASN 45 Ca 0.07 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1a1u h ASN 45 Cb 0.33 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1a1u h ASN 45 CO -0.00 0.83 0.33 -0.08 -1.65 0.00 0.00 177.43 176.86 1a1u h GLU 46 N 0.02 0.74 -0.72 0.81 4.81 -0.72 -0.93 114.58 118.58 1a1u h GLU 46 Ca -0.01 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1a1u h GLU 46 Cb 1.41 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1a1u h GLU 46 CO 0.11 0.53 0.48 0.00 -0.73 0.00 0.00 179.01 179.40 1a1u h ALA 47 N 1.16 1.92 -0.72 2.92 0.00 -1.40 0.19 119.26 123.33 1a1u h ALA 47 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1a1u h ALA 47 Cb -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1a1u h ALA 47 CO -0.04 -0.08 0.44 1.25 0.00 0.00 0.00 179.25 180.82 1a1u h LEU 48 N 0.56 0.70 -1.12 0.00 6.46 -0.99 -2.02 115.31 118.90 1a1u h LEU 48 Ca 0.34 0.01 0.10 0.00 -0.12 0.00 0.00 57.88 58.21 1a1u h LEU 48 Cb 0.57 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.29 1a1u h LEU 48 CO -0.12 0.47 0.61 -0.08 -0.62 0.00 0.00 178.44 178.70 1a1u h GLU 49 N 0.83 0.92 -0.78 1.25 4.22 -0.24 -0.80 114.58 119.98 1a1u h GLU 49 Ca 0.30 -0.06 0.14 0.00 0.08 0.00 0.00 59.36 59.83 1a1u h GLU 49 Cb 0.09 -0.21 -0.14 0.00 0.50 0.00 0.00 28.75 28.99 1a1u h GLU 49 CO -0.14 0.61 -0.27 1.25 -2.18 0.00 0.00 179.01 178.28 1a1u h LEU 50 N 0.95 -0.99 -0.55 1.64 6.46 -1.00 0.35 115.31 122.17 1a1u h LEU 50 Ca 0.45 0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 58.44 1a1u h LEU 50 Cb 0.42 0.57 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1a1u h LEU 50 CO -0.21 -0.28 0.29 0.50 -0.62 0.00 0.00 178.44 178.12 1a1u h LYS 51 N -0.05 0.77 0.00 1.25 3.11 -1.20 0.34 116.57 120.80 1a1u h LYS 51 Ca 0.34 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1a1u h LYS 51 Cb 0.58 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1a1u h LYS 51 CO -0.82 0.60 0.00 0.22 -2.81 0.00 0.00 179.45 176.64 1a1u h ASP 52 N 0.74 0.00 0.00 4.20 1.82 -0.59 -3.33 116.42 119.25 1a1u h ASP 52 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1a1u h ASP 52 Cb 0.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1a1u h ASP 52 CO -0.03 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.60 1a1u n ALA 53 N -2.06 0.00 1.56 -0.78 0.00 0.97 -5.10 120.51 115.10 1a1u n ALA 53 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1a1u n ALA 53 Cb 0.19 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.22 1a1u n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50