#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hki s HIS 1 N 0.00 3.26 1.11 -5.13 5.65 -1.26 -4.99 115.29 113.93 3hki s HIS 1 Ca 0.00 0.79 -0.17 0.00 0.25 0.00 0.00 55.06 55.94 3hki s HIS 1 Cb 0.00 -2.92 0.24 0.00 -1.18 0.00 0.00 32.58 28.73 3hki s HIS 1 CO 0.00 -0.38 1.12 -0.08 -0.65 0.00 0.00 174.74 174.75 3hki s THR 1 N 2.59 1.77 0.00 0.89 -1.32 -1.26 -5.06 115.64 113.25 3hki s THR 1 Ca 0.27 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 3hki s THR 1 Cb -0.15 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 3hki s THR 1 CO 0.09 0.00 0.00 0.49 -2.21 0.00 0.00 174.62 172.99 3hki n PHE 1 N -4.46 0.00 -3.54 9.09 3.01 -1.26 -5.19 117.46 115.11 3hki n PHE 1 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.15 3hki n PHE 1 Cb 0.59 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.95 3hki n PHE 1 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3hki s ASN 1 N 0.00 5.87 0.30 4.37 3.84 -1.26 -4.96 114.94 123.09 3hki s ASN 1 Ca 0.00 -1.05 0.17 0.00 0.21 0.00 0.00 52.86 52.19 3hki s ASN 1 Cb 0.00 -2.07 1.08 0.00 -0.55 0.00 0.00 41.25 39.70 3hki s ASN 1 CO 0.00 -0.44 1.27 -0.62 -2.79 0.00 0.00 177.10 174.51 3hki n GLU 1 N 5.05 -0.05 0.19 0.43 1.02 -1.26 0.61 120.64 126.63 3hki n GLU 1 Ca -0.11 1.11 0.06 0.00 -0.02 0.00 0.00 57.16 58.20 3hki n GLU 1 Cb 0.46 -1.99 0.55 0.00 -0.02 0.00 0.00 31.44 30.44 3hki n GLU 1 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hki h LYS 1 N 0.00 0.13 0.00 3.49 1.57 -1.93 0.25 116.57 120.08 3hki h LYS 1 Ca 0.68 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 59.15 3hki h LYS 1 Cb 1.79 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 34.02 3hki h LYS 1 CO -0.62 0.13 -2.11 0.25 -0.57 0.00 0.00 179.45 176.54 3hki n THR 1 N -4.47 1.11 0.01 -0.16 -2.24 0.20 -4.71 114.28 104.02 3hki n THR 1 Ca -0.01 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 3hki n THR 1 Cb 0.12 -0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 3hki n THR 1 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3hki h PHE 1 N 0.00 -0.11 0.00 4.78 -0.00 -0.77 -3.50 116.94 117.34 3hki h PHE 1 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 3hki h PHE 1 Cb 1.86 0.04 0.00 0.00 -0.00 0.00 0.00 35.95 37.84 3hki h PHE 1 CO 0.01 -0.07 0.00 0.41 -0.00 0.00 0.00 178.31 178.66 3hki n GLY 1 N 1.47 0.21 3.88 2.40 0.00 0.86 -5.01 105.19 109.00 3hki n GLY 1 Ca -0.01 -2.31 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 3hki n GLY 1 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hki s LEU 1 N 0.00 3.48 0.00 0.99 1.43 -1.26 -4.54 118.68 118.78 3hki s LEU 1 Ca 0.00 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 3hki s LEU 1 Cb 0.00 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.98 3hki s LEU 1 CO 0.00 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.50 3hki n GLY 1 N -2.27 1.04 0.36 -3.19 0.00 -1.26 -5.01 105.19 94.85 3hki n GLY 1 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 3hki n GLY 1 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hki h GLU 1 N 0.07 0.62 0.00 1.61 4.81 -1.99 -1.23 114.58 118.46 3hki h GLU 1 Ca 0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 3hki h GLU 1 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3hki h GLU 1 CO 0.00 0.41 -0.53 0.00 -0.73 0.00 0.00 179.01 178.16 3hki h ALA 1 N 1.68 0.98 -0.42 2.92 0.00 -1.95 -3.06 119.26 119.42 3hki h ALA 1 Ca 0.61 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hki h ALA 1 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hki h ALA 1 CO -0.41 0.66 0.00 -3.47 0.00 0.00 0.00 179.25 176.03 3hki n ASP 1 N -3.71 3.75 -4.63 0.00 2.03 -0.88 -4.83 116.55 108.28 3hki n ASP 1 Ca -0.01 -2.42 -0.34 0.00 0.52 0.00 0.00 54.79 52.54 3hki n ASP 1 Cb 0.58 -0.43 0.11 0.00 -0.72 0.00 0.00 41.12 40.66 3hki n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hki n GLY 2 N 0.90 0.22 3.34 0.00 0.00 -1.26 -4.98 105.19 103.41 3hki n GLY 2 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3hki n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hki s LEU 3 N 0.00 3.66 -0.34 0.99 1.43 -1.22 -5.04 118.68 118.16 3hki s LEU 3 Ca 0.00 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 3hki s LEU 3 Cb 0.00 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3hki s LEU 3 CO 0.00 -0.15 0.94 -0.13 0.23 0.00 0.00 176.35 177.24 3hki s ARG 4 N 1.50 3.92 0.27 1.70 0.52 -1.26 -4.90 118.95 120.70 3hki s ARG 4 Ca 0.03 0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 55.93 3hki s ARG 4 Cb -0.17 -3.77 0.58 0.00 0.52 0.00 0.00 34.95 32.11 3hki s ARG 4 CO 0.02 -0.89 1.42 -2.30 0.02 0.00 0.00 175.30 173.57 3hki n PRO 5 N 6.70 -0.08 -0.10 3.54 -0.02 -1.26 0.39 135.00 144.18 3hki n PRO 5 Ca 0.08 1.39 0.10 0.00 -2.02 0.00 0.00 63.50 63.05 3hki n PRO 5 Cb 0.48 -2.15 0.35 0.00 -0.02 0.00 0.00 33.50 32.15 3hki n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hki n LEU 6 N -5.40 1.78 0.00 2.45 4.77 -1.26 -3.43 117.00 115.92 3hki n LEU 6 Ca 0.19 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3hki n LEU 6 Cb 0.60 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3hki n LEU 6 CO -0.09 0.38 0.00 0.49 -1.33 0.00 0.00 177.39 176.85 3hki n PHE 7 N 0.41 0.00 0.06 -1.77 3.72 0.16 -4.67 117.46 115.37 3hki n PHE 7 Ca 0.16 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.41 3hki n PHE 7 Cb 0.34 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.80 3hki n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hki h GLU 8 N 0.00 -0.61 -0.20 -1.08 3.07 -1.62 1.11 114.58 115.25 3hki h GLU 8 Ca 0.00 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 3hki h GLU 8 Cb 0.00 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 27.98 3hki h GLU 8 CO 0.00 -0.41 -0.24 0.87 -1.40 0.00 0.00 179.01 177.84 3hki h LYS 9 N -0.63 -0.25 0.00 2.33 1.57 -1.75 0.58 116.57 118.41 3hki h LYS 9 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hki h LYS 9 Cb 0.69 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3hki h LYS 9 CO -0.33 -0.17 0.00 1.63 -0.57 0.00 0.00 179.45 180.01 3hki n LYS 10 N -5.37 0.82 -3.77 3.15 5.02 -1.13 -4.85 118.16 112.04 3hki n LYS 10 Ca -0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 3hki n LYS 10 Cb 0.28 -1.09 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 3hki n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hki n SER 11 N -0.59 -1.52 -4.75 4.39 7.64 0.20 -4.96 113.62 114.04 3hki n SER 11 Ca 0.04 -0.84 -0.28 0.00 1.01 0.00 0.00 58.87 58.80 3hki n SER 11 Cb 0.02 -3.89 -0.07 0.00 -1.01 0.00 0.00 64.21 59.25 3hki n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hki s LEU 12 N -6.80 2.78 0.01 -3.43 1.02 0.36 -4.99 118.68 107.64 3hki s LEU 12 Ca 0.09 -1.32 0.02 0.00 0.02 0.00 0.00 54.13 52.94 3hki s LEU 12 Cb -0.05 -1.09 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 3hki s LEU 12 CO 0.83 -0.70 -0.08 -0.54 0.02 0.00 0.00 176.35 175.88 3hki s LYS 13 N -3.92 0.59 0.00 1.70 -0.14 -1.26 -3.98 119.74 112.73 3hki s LYS 13 Ca 0.29 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.49 3hki s LYS 13 Cb 0.04 -0.53 0.00 0.00 -1.68 0.00 0.00 37.83 35.66 3hki s LYS 13 CO 0.16 0.13 0.00 -0.40 -0.76 0.00 0.00 175.35 174.49 3hki n ASP 14 N 2.48 0.00 -0.06 2.83 5.68 -1.26 -5.00 116.55 121.22 3hki n ASP 14 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 3hki n ASP 14 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3hki n ASP 14 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hki n THR 14 N 0.00 0.00 0.30 2.12 -2.24 -1.26 -4.66 114.28 108.54 3hki n THR 14 Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 3hki n THR 14 Cb 0.00 -0.10 0.92 0.00 -2.10 0.00 0.00 70.33 69.05 3hki n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hki h GLU 14 N 0.00 0.00 -0.05 -0.78 4.11 -2.04 -1.94 114.58 113.88 3hki h GLU 14 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3hki h GLU 14 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3hki h GLU 14 CO 0.00 0.02 -0.29 -0.22 0.07 0.00 0.00 179.01 178.59 3hki h LYS 14 N 0.00 0.10 0.00 1.06 3.64 -2.01 -2.81 116.57 116.55 3hki h LYS 14 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hki h LYS 14 Cb 0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3hki h LYS 14 CO 0.00 0.38 0.00 -1.91 -2.27 0.00 0.00 179.45 175.66 3hki n GLU 14 N -4.16 0.00 0.00 1.90 2.13 -0.73 -0.68 120.64 119.09 3hki n GLU 14 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3hki n GLU 14 Cb 0.36 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.19 3hki n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hki n LEU 14 N 0.26 0.00 0.31 4.31 7.94 -1.06 -3.11 117.00 125.64 3hki n LEU 14 Ca 0.00 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.07 3hki n LEU 14 Cb 0.00 0.00 0.92 0.00 0.53 0.00 0.00 43.42 44.87 3hki n LEU 14 CO 0.00 0.00 1.10 0.44 -1.11 0.00 0.00 177.39 177.82 3hki h ASP 14 N 0.00 0.00 0.40 1.96 3.45 -1.19 -0.47 116.42 120.57 3hki h ASP 14 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hki h ASP 14 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hki h ASP 14 CO 0.00 0.00 -1.15 -1.54 -1.57 0.00 0.00 179.24 174.98 3hki n SER 14 N -2.85 0.58 0.07 6.45 3.41 -1.18 -4.00 113.62 116.09 3hki n SER 14 Ca -0.02 -0.19 -0.08 0.00 -0.26 0.00 0.00 58.87 58.32 3hki n SER 14 Cb 0.23 0.93 -0.12 0.00 -0.26 0.00 0.00 64.21 65.00 3hki n SER 14 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3hki h TYR 14 N 0.00 0.05 0.05 7.33 0.99 -1.41 -3.25 116.97 120.74 3hki h TYR 14 Ca 0.00 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3hki h TYR 14 Cb 0.77 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.50 3hki h TYR 14 CO 0.00 1.03 -0.03 0.82 -0.00 0.00 0.00 178.16 179.98 3hki h ILE 14 N 0.01 1.04 -2.51 -2.88 2.04 -1.67 -3.43 117.51 110.12 3hki h ILE 14 Ca -0.02 -0.32 -0.21 0.00 1.00 0.00 0.00 64.86 65.31 3hki h ILE 14 Cb 1.79 1.26 0.10 0.00 -0.74 0.00 0.00 36.82 39.22 3hki h ILE 14 CO 0.14 0.08 0.08 0.47 0.00 0.00 0.00 178.15 178.91 3hki n ASP 14 N -5.05 -1.42 0.00 1.72 9.92 -1.23 -5.17 116.55 115.32 3hki n ASP 14 Ca -0.08 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 3hki n ASP 14 Cb 0.12 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 3hki n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94