#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dux n ASP 1 N 0.00 3.33 -4.61 0.00 4.64 -1.26 -5.04 116.55 113.61 3dux n ASP 1 Ca 0.00 -1.95 -0.39 0.00 -1.38 0.00 0.00 54.79 51.07 3dux n ASP 1 Cb 0.00 -0.30 0.04 0.00 -1.04 0.00 0.00 41.12 39.82 3dux n ASP 1 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3dux n GLY 2 N 1.26 0.52 3.27 0.00 0.00 -1.26 -4.98 105.19 104.00 3dux n GLY 2 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3dux n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dux s LEU 3 N 0.00 4.19 0.03 0.99 1.43 -1.17 -5.01 118.68 119.13 3dux s LEU 3 Ca 0.00 -1.08 -0.27 0.00 -1.03 0.00 0.00 54.13 51.74 3dux s LEU 3 Cb 0.00 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3dux s LEU 3 CO 0.00 -0.30 0.87 -0.13 0.23 0.00 0.00 176.35 177.02 3dux s ARG 4 N 1.40 4.55 0.35 1.70 0.52 -1.26 -4.75 118.95 121.47 3dux s ARG 4 Ca -0.01 1.24 0.10 0.00 -0.52 0.00 0.00 55.73 56.53 3dux s ARG 4 Cb -0.19 -3.41 0.86 0.00 0.52 0.00 0.00 34.95 32.72 3dux s ARG 4 CO 0.02 0.12 1.82 -1.35 0.02 0.00 0.00 175.30 175.94 3dux h PRO 5 N 6.19 0.63 -0.02 3.54 0.11 -1.97 -1.30 132.00 139.17 3dux h PRO 5 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dux h PRO 5 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dux h PRO 5 CO 0.73 0.42 -0.01 1.28 -0.21 0.00 0.00 178.00 180.21 3dux n LEU 6 N -4.64 1.95 0.00 2.35 4.32 -1.26 -4.08 117.00 115.64 3dux n LEU 6 Ca 0.21 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 3dux n LEU 6 Cb 0.59 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 3dux n LEU 6 CO 0.26 0.33 0.00 0.49 -1.22 0.00 0.00 177.39 177.25 3dux n PHE 7 N 0.51 0.00 -0.34 -1.77 3.72 -0.58 -4.72 117.46 114.26 3dux n PHE 7 Ca 0.17 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.72 3dux n PHE 7 Cb 0.43 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.32 3dux n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3dux h GLU 8 N 0.00 0.68 0.00 -1.08 3.07 -1.55 -0.01 114.58 115.69 3dux h GLU 8 Ca 0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3dux h GLU 8 Cb 0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3dux h GLU 8 CO 0.00 0.45 -0.03 0.87 -1.40 0.00 0.00 179.01 178.90 3dux h LYS 9 N 0.70 0.00 -0.24 2.33 1.57 -1.50 -2.33 116.57 117.09 3dux h LYS 9 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 3dux h LYS 9 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3dux h LYS 9 CO -0.38 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.16 3dux n LYS 10 N -3.15 1.93 -3.91 3.15 5.02 -0.14 -4.97 118.16 116.09 3dux n LYS 10 Ca 0.00 -1.79 -0.30 0.00 -2.02 0.00 0.00 58.31 54.20 3dux n LYS 10 Cb 0.29 -1.31 0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3dux n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dux n SER 11 N 0.80 -4.49 -4.66 4.39 2.88 -0.47 -5.01 113.62 107.07 3dux n SER 11 Ca 0.12 -0.79 -0.34 0.00 -1.33 0.00 0.00 58.87 56.52 3dux n SER 11 Cb 0.42 -3.86 -0.10 0.00 -0.75 0.00 0.00 64.21 59.92 3dux n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3dux s LEU 12 N -7.24 3.49 -0.05 2.46 1.43 -0.56 -5.01 118.68 113.19 3dux s LEU 12 Ca 0.61 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3dux s LEU 12 Cb -0.31 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3dux s LEU 12 CO 0.83 0.36 0.09 -1.61 0.23 0.00 0.00 176.35 176.25 3dux s GLU 13 N -0.95 3.18 0.92 1.70 2.02 -1.26 -3.77 118.70 120.53 3dux s GLU 13 Ca 0.14 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.63 3dux s GLU 13 Cb -0.11 -2.95 0.15 0.00 0.10 0.00 0.00 34.13 31.31 3dux s GLU 13 CO 0.03 0.70 1.19 0.16 0.02 0.00 0.00 175.26 177.36 3dux s ASP 14 N -1.36 3.50 0.56 -0.19 1.47 -1.26 -4.96 116.67 114.42 3dux s ASP 14 Ca 0.19 0.73 0.36 0.00 1.18 0.00 0.00 52.55 55.01 3dux s ASP 14 Cb -0.12 -1.13 1.72 0.00 -0.34 0.00 0.00 42.92 43.05 3dux s ASP 14 CO 0.09 -2.54 2.09 0.11 0.68 0.00 0.00 175.17 175.60 3dux h LYS 14 N -1.49 0.00 0.00 2.11 1.57 -2.05 -3.30 116.57 113.40 3dux h LYS 14 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3dux h LYS 14 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3dux h LYS 14 CO 0.56 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.69 3dux n THR 14 N -2.96 0.13 0.30 -0.16 -2.24 -1.26 -4.76 114.28 103.33 3dux n THR 14 Ca -0.01 -0.22 0.16 0.00 -2.27 0.00 0.00 64.05 61.72 3dux n THR 14 Cb 0.20 1.33 0.95 0.00 -2.10 0.00 0.00 70.33 70.71 3dux n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3dux h GLU 14 N 0.00 0.00 0.00 -0.78 4.11 -1.96 -1.55 114.58 114.39 3dux h GLU 14 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3dux h GLU 14 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3dux h GLU 14 CO 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 179.01 178.73 3dux h ARG 14 N 0.00 0.00 0.00 1.06 2.47 -1.86 -2.21 114.38 113.84 3dux h ARG 14 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dux h ARG 14 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3dux h ARG 14 CO 0.00 0.35 0.00 -1.91 0.56 0.00 0.00 179.97 178.97 3dux n GLU 14 N -3.62 0.00 0.00 0.04 2.13 -0.59 -0.61 120.64 118.00 3dux n GLU 14 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3dux n GLU 14 Cb 0.47 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.35 3dux n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3dux n LEU 14 N 0.30 0.00 0.18 4.31 -0.00 -0.83 -2.59 117.00 118.37 3dux n LEU 14 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.18 3dux n LEU 14 Cb 0.00 0.00 0.80 0.00 -0.00 0.00 0.00 43.42 44.22 3dux n LEU 14 CO 0.00 0.00 1.15 -0.33 -0.00 0.00 0.00 177.39 178.21 3dux h GLU 14 N 0.00 0.00 0.00 1.96 5.08 -1.14 0.09 114.58 120.57 3dux h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dux h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dux h GLU 14 CO 0.00 0.00 -0.07 -1.13 -1.00 0.00 0.00 179.01 176.81 3dux n SER 14 N -3.89 0.44 -4.14 1.42 3.41 -1.07 -4.49 113.62 105.31 3dux n SER 14 Ca 0.02 0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 58.67 3dux n SER 14 Cb 0.36 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3dux n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3dux n TYR 14 N -1.88 3.98 1.50 7.33 4.01 0.02 -5.25 117.16 126.86 3dux n TYR 14 Ca 0.06 -2.98 0.14 0.00 -0.16 0.00 0.00 57.90 54.96 3dux n TYR 14 Cb 0.39 -2.33 0.53 0.00 -0.31 0.00 0.00 39.34 37.62 3dux n TYR 14 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51