#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 -3.53 -0.32 4.01 -1.26 -5.05 117.16 111.02 1a1u n TYR 27 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1a1u n TYR 27 Cb 0.00 -0.24 -0.04 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 -0.98 -0.42 -0.22 -0.72 0.40 -1.26 -5.18 117.98 109.60 1a1u s PHE 28 Ca 0.00 0.54 -0.27 0.00 -0.60 0.00 0.00 56.93 56.59 1a1u s PHE 28 Cb 0.00 0.48 0.11 0.00 0.51 0.00 0.00 43.02 44.12 1a1u s PHE 28 CO 0.00 -0.50 0.94 -0.08 0.70 0.00 0.00 175.22 176.29 1a1u s THR 29 N -2.05 0.00 -0.56 0.64 -1.32 -1.26 -5.10 115.64 105.99 1a1u s THR 29 Ca -0.01 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.29 1a1u s THR 29 Cb -0.01 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1a1u s THR 29 CO -0.02 0.00 0.64 -0.76 -2.21 0.00 0.00 174.62 172.27 1a1u s LEU 30 N -0.33 5.38 0.77 9.08 1.43 -1.26 -5.05 118.68 128.71 1a1u s LEU 30 Ca -0.00 -1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 51.66 1a1u s LEU 30 Cb -0.03 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.92 1a1u s LEU 30 CO -0.01 -1.00 1.08 -1.58 0.23 0.00 0.00 176.35 175.07 1a1u s GLN 31 N 2.49 2.28 0.00 1.70 0.74 -1.26 -5.02 119.66 120.60 1a1u s GLN 31 Ca 0.11 1.05 0.00 0.00 0.05 0.00 0.00 55.36 56.57 1a1u s GLN 31 Cb -0.24 -1.91 0.00 0.00 1.10 0.00 0.00 33.01 31.97 1a1u s GLN 31 CO 0.07 -1.59 0.00 -0.89 -0.55 0.00 0.00 175.29 172.33 1a1u n ILE 32 N -3.47 0.00 -0.84 -2.34 2.08 -1.26 -5.12 119.36 108.41 1a1u n ILE 32 Ca 0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1a1u n ILE 32 Cb 0.54 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 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 -2.42 0.00 0.00 0.38 0.63 -1.26 -4.97 116.66 109.03 1a1u n ARG 33 Ca 0.00 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1a1u n ARG 33 Cb 0.00 -0.56 0.00 0.00 0.45 0.00 0.00 32.46 32.35 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 0.11 3.52 0.50 5.14 0.00 -1.26 -4.68 105.19 108.52 1a1u n GLY 34 Ca 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.21 -1.29 1.61 1.12 -2.01 -0.89 114.38 111.72 1a1u h ARG 35 Ca 0.00 0.08 0.37 0.00 -1.11 0.00 0.00 59.98 59.32 1a1u h ARG 35 Cb 0.00 0.28 -0.07 0.00 -0.01 0.00 0.00 29.97 30.17 1a1u h ARG 35 CO 0.00 -0.81 0.90 1.49 -3.11 0.00 0.00 179.97 178.45 1a1u h GLU 36 N -1.31 0.07 -0.47 0.20 4.81 -1.99 0.32 114.58 116.22 1a1u h GLU 36 Ca -0.13 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1a1u h GLU 36 Cb 0.96 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1a1u h GLU 36 CO 0.21 0.05 0.12 0.00 -0.73 0.00 0.00 179.01 178.66 1a1u h ARG 37 N 0.07 0.75 -0.40 1.92 3.08 -1.46 0.05 114.38 118.40 1a1u h ARG 37 Ca 0.65 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.47 1a1u h ARG 37 Cb 2.38 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 32.31 1a1u h ARG 37 CO -0.10 0.73 0.05 0.35 -1.07 0.00 0.00 179.97 179.93 1a1u h PHE 38 N 0.63 0.72 -0.36 3.04 3.57 0.24 -2.90 116.94 121.88 1a1u h PHE 38 Ca 0.15 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1a1u h PHE 38 Cb 0.31 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 1a1u h PHE 38 CO 0.02 0.72 0.01 1.49 -2.23 0.00 0.00 178.31 178.32 1a1u h GLU 39 N 0.51 0.11 -1.06 1.11 4.81 -1.34 0.17 114.58 118.88 1a1u h GLU 39 Ca 0.12 -0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.63 1a1u h GLU 39 Cb 0.40 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.65 1a1u h GLU 39 CO 0.01 0.07 0.67 0.87 -0.73 0.00 0.00 179.01 179.91 1a1u h LYS 40 N 0.11 0.37 0.00 1.92 1.79 -0.86 0.48 116.57 120.38 1a1u h LYS 40 Ca 0.17 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 1a1u h LYS 40 Cb 0.24 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1a1u h LYS 40 CO -0.28 0.24 -0.61 0.82 -1.08 0.00 0.00 179.45 178.54 1a1u h ILE 41 N 0.38 1.22 -0.61 1.86 1.08 -0.50 -0.34 117.51 120.60 1a1u h ILE 41 Ca 0.63 -2.25 -0.03 0.00 -0.39 0.00 0.00 64.86 62.83 1a1u h ILE 41 Cb 1.60 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 37.61 1a1u h ILE 41 CO -0.35 0.59 0.26 0.03 -0.69 0.00 0.00 178.15 177.99 1a1u h ARG 42 N 0.00 0.90 -0.32 2.37 2.47 0.71 0.00 114.38 120.50 1a1u h ARG 42 Ca -0.01 -0.15 -0.12 0.00 -1.26 0.00 0.00 59.98 58.44 1a1u h ARG 42 Cb 1.24 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1a1u h ARG 42 CO 0.08 0.75 -0.29 0.93 0.56 0.00 0.00 179.97 182.00 1a1u h GLU 43 N 0.84 0.68 -0.13 0.04 5.08 -1.37 -0.88 114.58 118.82 1a1u h GLU 43 Ca 0.20 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1a1u h GLU 43 Cb 0.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1a1u h GLU 43 CO -0.02 0.89 0.13 0.10 -1.00 0.00 0.00 179.01 179.11 1a1u h TYR 44 N 0.58 0.00 0.00 4.33 -0.00 -0.48 0.43 116.97 121.83 1a1u h TYR 44 Ca 0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.62 1a1u h TYR 44 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.50 1a1u h TYR 44 CO 0.04 0.00 -0.85 -0.91 -0.00 0.00 0.00 178.16 176.44 1a1u h ASN 45 N 0.00 0.09 -0.47 0.10 2.35 0.44 -2.92 115.58 115.17 1a1u h ASN 45 Ca 0.06 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1a1u h ASN 45 Cb 0.33 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1a1u h ASN 45 CO -0.00 0.89 0.28 -0.08 -1.65 0.00 0.00 177.43 176.88 1a1u h GLU 46 N 0.04 0.63 -0.78 0.81 4.81 -0.66 -1.02 114.58 118.40 1a1u h GLU 46 Ca -0.02 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1a1u h GLU 46 Cb 1.48 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 1a1u h GLU 46 CO 0.12 0.46 0.52 0.00 -0.73 0.00 0.00 179.01 179.38 1a1u h ALA 47 N 1.13 2.05 -0.57 2.92 0.00 -1.39 0.27 119.26 123.67 1a1u h ALA 47 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1a1u h ALA 47 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1a1u h ALA 47 CO -0.03 -0.26 0.32 1.25 0.00 0.00 0.00 179.25 180.53 1a1u h LEU 48 N 0.48 0.49 -1.34 0.00 6.46 -1.00 -2.24 115.31 118.16 1a1u h LEU 48 Ca 0.38 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.28 1a1u h LEU 48 Cb 0.81 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 1a1u h LEU 48 CO -0.14 0.33 0.54 -0.08 -0.62 0.00 0.00 178.44 178.48 1a1u h GLU 49 N 0.62 0.68 -0.74 1.25 4.22 -0.11 -0.10 114.58 120.40 1a1u h GLU 49 Ca 0.24 -0.04 0.14 0.00 0.08 0.00 0.00 59.36 59.78 1a1u h GLU 49 Cb 0.10 -0.15 -0.14 0.00 0.50 0.00 0.00 28.75 29.05 1a1u h GLU 49 CO -0.14 0.45 -0.22 1.25 -2.18 0.00 0.00 179.01 178.17 1a1u h LEU 50 N 0.70 -0.80 -0.43 1.64 6.46 -1.05 0.36 115.31 122.20 1a1u h LEU 50 Ca 0.39 0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 58.36 1a1u h LEU 50 Cb 0.56 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1a1u h LEU 50 CO -0.16 -0.26 0.20 0.50 -0.62 0.00 0.00 178.44 178.10 1a1u h LYS 51 N -0.03 0.63 0.00 1.25 3.11 -1.08 0.32 116.57 120.78 1a1u h LYS 51 Ca 0.34 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1a1u h LYS 51 Cb 0.55 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1a1u h LYS 51 CO -0.77 0.55 0.00 0.22 -2.81 0.00 0.00 179.45 176.64 1a1u h ASP 52 N 0.56 0.00 0.00 4.20 1.82 -0.77 -3.33 116.42 118.90 1a1u h ASP 52 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1a1u h ASP 52 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1a1u h ASP 52 CO -0.02 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.61 1a1u n ALA 53 N -1.96 0.00 1.61 -0.78 0.00 0.11 -5.10 120.51 114.39 1a1u n ALA 53 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1a1u n ALA 53 Cb 0.18 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.25 1a1u n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50