#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkj n ALA 1 N 0.00 0.00 0.35 -1.84 0.00 -1.26 -3.72 120.51 114.04 3hkj n ALA 1 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3hkj n ALA 1 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 3hkj n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hkj n ASP 1 N 1.95 2.69 -4.58 0.00 2.03 -1.26 -5.03 116.55 112.34 3hkj n ASP 1 Ca 0.00 -1.78 -0.36 0.00 0.52 0.00 0.00 54.79 53.16 3hkj n ASP 1 Cb 0.00 -0.12 0.07 0.00 -0.72 0.00 0.00 41.12 40.35 3hkj n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hkj n GLY 2 N 1.30 0.54 3.18 0.00 0.00 -1.26 -4.99 105.19 103.96 3hkj n GLY 2 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3hkj n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkj s LEU 3 N 0.00 4.08 -0.04 0.99 1.43 -1.23 -5.03 118.68 118.88 3hkj s LEU 3 Ca 0.00 -1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 51.47 3hkj s LEU 3 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3hkj s LEU 3 CO 0.00 -0.29 1.22 -0.13 0.23 0.00 0.00 176.35 177.37 3hkj s ARG 4 N 1.26 4.35 0.20 1.70 0.52 -1.26 -4.82 118.95 120.90 3hkj s ARG 4 Ca -0.03 1.70 -0.10 0.00 -0.52 0.00 0.00 55.73 56.78 3hkj s ARG 4 Cb -0.20 -3.54 0.25 0.00 0.52 0.00 0.00 34.95 31.98 3hkj s ARG 4 CO -0.01 -0.44 1.75 -1.35 0.02 0.00 0.00 175.30 175.28 3hkj h PRO 5 N 7.43 0.42 -0.22 3.54 0.11 -1.97 -1.20 132.00 140.11 3hkj h PRO 5 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hkj h PRO 5 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hkj h PRO 5 CO 0.88 0.28 0.00 1.28 -0.21 0.00 0.00 178.00 180.22 3hkj n LEU 6 N -4.97 1.29 0.00 2.35 4.77 -1.26 -3.66 117.00 115.53 3hkj n LEU 6 Ca 0.08 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3hkj n LEU 6 Cb 0.25 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hkj n LEU 6 CO 0.24 0.31 0.00 0.49 -1.33 0.00 0.00 177.39 177.10 3hkj n PHE 7 N 0.17 0.00 -0.26 -1.77 3.72 -0.56 -4.74 117.46 114.02 3hkj n PHE 7 Ca 0.10 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.53 3hkj n PHE 7 Cb 0.22 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.93 3hkj n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hkj h GLU 8 N 0.00 0.58 0.00 -1.08 3.07 -1.35 0.38 114.58 116.18 3hkj h GLU 8 Ca 0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3hkj h GLU 8 Cb 0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3hkj h GLU 8 CO 0.00 0.39 -0.04 0.87 -1.40 0.00 0.00 179.01 178.82 3hkj h LYS 9 N 0.60 0.00 -0.10 2.33 1.57 -1.48 -2.09 116.57 117.40 3hkj h LYS 9 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3hkj h LYS 9 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hkj h LYS 9 CO -0.31 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.24 3hkj n LYS 10 N -3.16 2.14 -2.59 3.15 5.02 -0.63 -4.94 118.16 117.14 3hkj n LYS 10 Ca 0.01 -1.90 -0.16 0.00 -2.02 0.00 0.00 58.31 54.23 3hkj n LYS 10 Cb 0.33 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3hkj n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hkj n SER 11 N 1.27 -4.78 -4.56 4.39 7.64 0.03 -4.99 113.62 112.62 3hkj n SER 11 Ca 0.14 -0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.58 3hkj n SER 11 Cb 0.56 -3.76 -0.11 0.00 -1.01 0.00 0.00 64.21 59.89 3hkj n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hkj s LEU 12 N -4.75 3.00 0.13 -3.43 1.43 0.11 -4.99 118.68 110.18 3hkj s LEU 12 Ca 0.13 -0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3hkj s LEU 12 Cb -0.06 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hkj s LEU 12 CO 0.16 0.25 -0.02 -1.61 0.23 0.00 0.00 176.35 175.36 3hkj s GLU 13 N -1.62 2.41 0.48 1.70 2.02 -1.26 -3.65 118.70 118.77 3hkj s GLU 13 Ca 0.18 -1.00 -0.04 0.00 0.02 0.00 0.00 54.97 54.12 3hkj s GLU 13 Cb -0.11 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 3hkj s GLU 13 CO 0.09 0.49 0.76 0.16 0.02 0.00 0.00 175.26 176.78 3hkj s ASP 14 N -2.61 6.12 0.05 -0.19 1.47 -1.26 -4.96 116.67 115.29 3hkj s ASP 14 Ca 0.26 0.77 0.03 0.00 1.18 0.00 0.00 52.55 54.79 3hkj s ASP 14 Cb -0.10 -2.07 0.14 0.00 -0.34 0.00 0.00 42.92 40.55 3hkj s ASP 14 CO 0.18 -0.63 0.97 0.29 0.68 0.00 0.00 175.17 176.66 3hkj n LYS 14 N -2.23 0.02 0.00 2.11 5.02 -1.26 -3.34 118.16 118.47 3hkj n LYS 14 Ca 0.01 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3hkj n LYS 14 Cb 0.56 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3hkj n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hkj n THR 14 N -1.50 0.00 0.31 -0.18 -2.24 -1.26 -4.83 114.28 104.59 3hkj n THR 14 Ca -0.00 -0.07 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 3hkj n THR 14 Cb 0.14 1.83 1.00 0.00 -2.10 0.00 0.00 70.33 71.20 3hkj n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hkj h GLU 14 N 0.00 0.00 0.00 -0.78 4.11 -1.96 -0.82 114.58 115.13 3hkj h GLU 14 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3hkj h GLU 14 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3hkj h GLU 14 CO 0.00 0.01 -0.34 -0.09 0.07 0.00 0.00 179.01 178.67 3hkj h ARG 14 N 0.00 0.00 -0.55 1.06 2.43 -1.88 -2.85 114.38 112.59 3hkj h ARG 14 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hkj h ARG 14 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3hkj h ARG 14 CO 0.00 0.34 0.00 -1.91 -1.51 0.00 0.00 179.97 176.89 3hkj n GLU 14 N -3.74 0.00 0.00 0.20 2.13 -0.32 -0.71 120.64 118.20 3hkj n GLU 14 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3hkj n GLU 14 Cb 0.43 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.05 3hkj n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hkj n LEU 14 N 0.60 0.00 0.26 4.31 7.94 -1.08 -2.34 117.00 126.69 3hkj n LEU 14 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3hkj n LEU 14 Cb 0.00 0.00 0.69 0.00 0.53 0.00 0.00 43.42 44.64 3hkj n LEU 14 CO 0.00 0.00 0.95 -0.33 -1.11 0.00 0.00 177.39 176.90 3hkj h GLU 14 N 0.00 0.00 0.00 1.96 5.08 -1.22 -2.20 114.58 118.20 3hkj h GLU 14 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3hkj h GLU 14 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3hkj h GLU 14 CO 0.00 0.13 -0.49 0.66 -1.00 0.00 0.00 179.01 178.31 3hkj h SER 14 N 0.00 0.00 1.47 1.42 4.64 -1.71 0.78 113.55 120.15 3hkj h SER 14 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3hkj h SER 14 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3hkj h SER 14 CO 0.02 0.49 -0.55 1.88 -0.87 0.00 0.00 176.83 177.80 3hkj h TYR 14 N 0.00 0.00 0.00 4.77 0.05 -1.72 -3.40 116.97 116.68 3hkj h TYR 14 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 3hkj h TYR 14 Cb 1.22 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.93 3hkj h TYR 14 CO 0.00 0.33 -1.41 -0.89 -1.05 0.00 0.00 178.16 175.14 3hkj n ILE 14 N -3.09 1.04 0.00 -2.88 2.08 -1.06 -5.12 119.36 110.33 3hkj n ILE 14 Ca 0.01 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.27 3hkj n ILE 14 Cb 0.68 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 3hkj n ILE 14 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3hkj n ASP 14 N -3.82 0.00 -4.54 4.38 9.92 0.27 -5.07 116.55 117.69 3hkj n ASP 14 Ca -0.23 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.62 3hkj n ASP 14 Cb 0.57 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.96 3hkj n ASP 14 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3hkj s GLY 14 N 0.00 1.88 0.00 0.44 0.00 -1.11 -4.99 107.32 103.55 3hkj s GLY 14 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3hkj s GLY 14 CO 0.00 1.09 0.17 0.54 0.00 0.00 0.00 173.10 174.90