#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk3 n ALA 1 N 0.00 1.29 1.08 4.31 0.00 -1.26 -1.45 120.51 124.48 3hk3 n ALA 1 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3hk3 n ALA 1 Cb 0.00 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.23 3hk3 n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hk3 n ASP 1 N -2.24 1.75 -4.68 0.00 2.03 -1.26 -5.01 116.55 107.14 3hk3 n ASP 1 Ca -0.00 -1.35 -0.39 0.00 0.52 0.00 0.00 54.79 53.57 3hk3 n ASP 1 Cb 0.11 0.36 0.03 0.00 -0.72 0.00 0.00 41.12 40.90 3hk3 n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hk3 n GLY 2 N 0.99 0.60 3.17 0.00 0.00 -1.26 -4.98 105.19 103.70 3hk3 n GLY 2 Ca 0.10 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3hk3 n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk3 s LEU 3 N -0.81 2.40 -0.15 0.99 1.43 -1.20 -5.05 118.68 116.30 3hk3 s LEU 3 Ca 0.00 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 3hk3 s LEU 3 Cb 0.00 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3hk3 s LEU 3 CO 0.00 -0.02 0.69 -0.13 0.23 0.00 0.00 176.35 177.13 3hk3 s ARG 4 N 1.33 4.31 0.36 1.70 0.52 -1.26 -4.85 118.95 121.06 3hk3 s ARG 4 Ca 0.05 0.79 0.12 0.00 -0.52 0.00 0.00 55.73 56.17 3hk3 s ARG 4 Cb -0.14 -3.53 0.93 0.00 0.52 0.00 0.00 34.95 32.73 3hk3 s ARG 4 CO -0.10 -0.15 1.80 -1.35 0.02 0.00 0.00 175.30 175.52 3hk3 h PRO 5 N 7.18 0.56 -0.06 3.54 0.11 -1.97 -1.35 132.00 140.00 3hk3 h PRO 5 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hk3 h PRO 5 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hk3 h PRO 5 CO 0.78 0.37 0.00 1.28 -0.21 0.00 0.00 178.00 180.22 3hk3 n LEU 6 N -4.67 2.09 0.00 2.35 4.77 -1.26 -3.94 117.00 116.34 3hk3 n LEU 6 Ca 0.23 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3hk3 n LEU 6 Cb 0.69 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3hk3 n LEU 6 CO 0.25 0.37 0.00 0.49 -1.33 0.00 0.00 177.39 177.17 3hk3 n PHE 7 N 0.62 0.00 -0.32 -1.77 3.72 -0.59 -4.73 117.46 114.39 3hk3 n PHE 7 Ca 0.17 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.67 3hk3 n PHE 7 Cb 0.44 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.24 3hk3 n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hk3 h GLU 8 N 0.00 0.65 0.00 -1.08 3.07 -1.53 0.30 114.58 115.98 3hk3 h GLU 8 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3hk3 h GLU 8 Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3hk3 h GLU 8 CO 0.00 0.43 0.00 1.63 -1.40 0.00 0.00 179.01 179.67 3hk3 n LYS 9 N -4.84 0.21 -0.16 2.33 5.02 -0.70 -2.28 118.16 117.74 3hk3 n LYS 9 Ca 0.19 0.38 0.05 0.00 -2.02 0.00 0.00 58.31 56.91 3hk3 n LYS 9 Cb 0.49 -1.86 0.12 0.00 -0.02 0.00 0.00 35.03 33.76 3hk3 n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hk3 n LYS 10 N -2.26 2.72 -3.96 1.97 5.02 -0.06 -4.98 118.16 116.62 3hk3 n LYS 10 Ca 0.03 -2.09 -0.31 0.00 -2.02 0.00 0.00 58.31 53.92 3hk3 n LYS 10 Cb 0.27 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 3hk3 n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hk3 n SER 11 N -0.22 -4.39 -4.58 4.39 7.64 -0.48 -4.97 113.62 111.02 3hk3 n SER 11 Ca 0.10 -0.82 -0.28 0.00 1.01 0.00 0.00 58.87 58.88 3hk3 n SER 11 Cb 0.48 -3.70 -0.10 0.00 -1.01 0.00 0.00 64.21 59.89 3hk3 n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hk3 s LEU 12 N -7.26 3.04 0.09 -3.43 1.02 -0.30 -5.02 118.68 106.82 3hk3 s LEU 12 Ca 0.64 -0.45 0.08 0.00 0.02 0.00 0.00 54.13 54.43 3hk3 s LEU 12 Cb -0.33 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 3hk3 s LEU 12 CO 0.85 0.15 -0.18 -0.54 0.02 0.00 0.00 176.35 176.64 3hk3 s LYS 13 N -2.47 1.88 0.00 1.70 1.02 -1.26 -3.70 119.74 116.90 3hk3 s LYS 13 Ca 0.23 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.10 3hk3 s LYS 13 Cb -0.10 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3hk3 s LYS 13 CO 0.15 0.50 0.00 -0.40 -0.92 0.00 0.00 175.35 174.67 3hk3 n ASP 14 N 1.01 0.00 0.00 2.83 5.68 -1.26 -5.05 116.55 119.76 3hk3 n ASP 14 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 3hk3 n ASP 14 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3hk3 n ASP 14 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hk3 n THR 14 N 0.00 0.00 0.24 2.12 -2.24 -1.26 -4.66 114.28 108.48 3hk3 n THR 14 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3hk3 n THR 14 Cb 0.00 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 68.79 3hk3 n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hk3 h GLU 14 N 0.00 0.00 -0.77 -0.78 4.11 -2.04 -1.55 114.58 113.55 3hk3 h GLU 14 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 3hk3 h GLU 14 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3hk3 h GLU 14 CO 0.00 0.16 0.50 -0.22 0.07 0.00 0.00 179.01 179.52 3hk3 h LYS 14 N 0.00 0.85 -0.35 1.06 3.64 -2.02 -2.09 116.57 117.66 3hk3 h LYS 14 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hk3 h LYS 14 Cb 0.62 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3hk3 h LYS 14 CO 0.02 0.56 0.00 -1.91 -2.27 0.00 0.00 179.45 175.85 3hk3 n GLU 14 N -4.47 0.00 0.00 1.90 2.13 -0.59 -0.93 120.64 118.68 3hk3 n GLU 14 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3hk3 n GLU 14 Cb 0.17 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 30.87 3hk3 n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hk3 n LEU 14 N 0.53 0.00 0.28 4.31 7.94 -0.79 -2.28 117.00 127.00 3hk3 n LEU 14 Ca 0.00 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.08 3hk3 n LEU 14 Cb 0.00 0.00 0.96 0.00 0.53 0.00 0.00 43.42 44.91 3hk3 n LEU 14 CO 0.00 0.00 1.15 0.44 -1.11 0.00 0.00 177.39 177.87 3hk3 h ASP 14 N 0.00 0.00 0.98 1.96 3.45 -1.31 -2.33 116.42 119.16 3hk3 h ASP 14 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hk3 h ASP 14 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hk3 h ASP 14 CO 0.00 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 178.44 3hk3 h SER 14 N 0.00 0.00 -1.47 6.45 4.64 -1.71 -3.40 113.55 118.06 3hk3 h SER 14 Ca 0.02 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.69 3hk3 h SER 14 Cb 0.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 3hk3 h SER 14 CO -0.00 0.00 1.46 -0.31 -0.87 0.00 0.00 176.83 177.11 3hk3 s TYR 14 N -3.36 2.81 -0.05 4.77 4.12 -0.88 -4.73 117.35 120.03 3hk3 s TYR 14 Ca 0.05 -1.25 0.01 0.00 0.02 0.00 0.00 57.07 55.90 3hk3 s TYR 14 Cb 0.09 -4.57 -0.01 0.00 -1.52 0.00 0.00 41.96 35.95 3hk3 s TYR 14 CO 0.47 -1.76 0.04 0.44 0.02 0.00 0.00 175.55 174.77 3hk3 n ILE 14 N 6.25 0.00 -0.71 2.71 -5.35 -1.26 -5.08 119.36 115.91 3hk3 n ILE 14 Ca 0.34 -0.40 -0.28 0.00 -0.27 0.00 0.00 62.75 62.14 3hk3 n ILE 14 Cb 0.49 0.92 0.24 0.00 -1.74 0.00 0.00 39.64 39.54 3hk3 n ILE 14 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3hk3 s ASP 14 N -1.27 1.26 0.00 7.28 -0.00 -1.26 -5.27 116.67 117.41 3hk3 s ASP 14 Ca 0.00 1.37 0.00 0.00 -0.00 0.00 0.00 52.55 53.92 3hk3 s ASP 14 Cb 0.01 -2.13 0.00 0.00 -0.00 0.00 0.00 42.92 40.80 3hk3 s ASP 14 CO 0.05 -4.01 0.00 0.61 -0.00 0.00 0.00 175.17 171.82