#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sak s LYS 2 N 0.00 0.38 -0.82 1.97 1.02 -1.26 -4.98 119.74 116.05 3sak s LYS 2 Ca 0.00 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 56.59 3sak s LYS 2 Cb 0.00 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.65 3sak s LYS 2 CO 0.00 -0.46 0.70 1.63 -0.92 0.00 0.00 175.35 176.29 3sak n LYS 3 N 5.42 -1.42 -0.24 1.68 4.76 -1.26 -4.65 118.16 122.45 3sak n LYS 3 Ca -0.02 1.17 -0.08 0.00 -2.87 0.00 0.00 58.31 56.50 3sak n LYS 3 Cb 0.53 -4.69 -0.01 0.00 -1.84 0.00 0.00 35.03 29.02 3sak n LYS 3 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3sak n PRO 4 N -2.31 0.63 -1.02 1.97 -0.04 -1.26 -4.64 135.00 128.32 3sak n PRO 4 Ca -0.10 -0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 62.42 3sak n PRO 4 Cb 0.57 -2.15 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 3sak n PRO 4 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3sak n LEU 5 N 4.89 5.60 0.00 1.53 4.77 -1.26 -4.68 117.00 127.85 3sak n LEU 5 Ca 0.15 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 3sak n LEU 5 Cb 0.05 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 3sak n LEU 5 CO 0.58 1.57 0.00 0.47 -1.33 0.00 0.00 177.39 178.68 3sak n ASP 6 N 1.86 0.00 -4.77 -1.43 8.00 -1.26 -4.89 116.55 114.05 3sak n ASP 6 Ca 0.37 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 3sak n ASP 6 Cb 0.75 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.84 3sak n ASP 6 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3sak s GLY 7 N 0.00 2.80 0.37 0.44 0.00 -1.26 -4.95 107.32 104.72 3sak s GLY 7 Ca 0.00 0.93 -0.28 0.00 0.00 0.00 0.00 44.72 45.37 3sak s GLY 7 CO 0.00 1.41 1.50 -0.54 0.00 0.00 0.00 173.10 175.47 3sak s GLU 8 N -2.59 4.09 -0.04 2.90 2.02 -1.26 -4.99 118.70 118.84 3sak s GLU 8 Ca 0.62 2.60 0.01 0.00 0.02 0.00 0.00 54.97 58.22 3sak s GLU 8 Cb -0.29 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 3sak s GLU 8 CO 0.35 -0.56 -0.05 0.71 0.02 0.00 0.00 175.26 175.73 3sak s TYR 9 N -1.06 2.96 -0.00 1.61 1.51 -1.26 -5.12 117.35 115.99 3sak s TYR 9 Ca 0.54 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 3sak s TYR 9 Cb -0.47 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 3sak s TYR 9 CO 0.63 0.37 -0.06 -0.06 -1.11 0.00 0.00 175.55 175.32 3sak s PHE 10 N -0.92 0.57 0.35 2.71 0.08 -1.26 -5.15 117.98 114.36 3sak s PHE 10 Ca 0.15 -0.12 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 3sak s PHE 10 Cb -0.11 -0.37 -0.06 0.00 -0.57 0.00 0.00 43.02 41.92 3sak s PHE 10 CO 0.05 -0.01 0.65 0.95 -0.10 0.00 0.00 175.22 176.76 3sak s THR 11 N -0.20 4.92 -0.10 0.64 -4.23 -1.26 -5.09 115.64 110.32 3sak s THR 11 Ca 0.02 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 3sak s THR 11 Cb -0.03 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.12 3sak s THR 11 CO -0.00 -0.43 0.23 -0.22 -0.54 0.00 0.00 174.62 173.65 3sak s LEU 12 N -3.75 0.42 -0.09 4.79 2.96 -1.26 -5.13 118.68 116.63 3sak s LEU 12 Ca 0.47 0.48 -0.25 0.00 -0.22 0.00 0.00 54.13 54.61 3sak s LEU 12 Cb -0.10 0.66 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 3sak s LEU 12 CO 0.31 -0.17 0.78 -1.58 -1.32 0.00 0.00 176.35 174.37 3sak s GLN 13 N 1.32 4.41 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.63 3sak s GLN 13 Ca -0.09 0.99 0.01 0.00 0.05 0.00 0.00 55.36 56.32 3sak s GLN 13 Cb -0.11 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.53 3sak s GLN 13 CO -0.08 -0.08 -0.20 0.42 -0.55 0.00 0.00 175.29 174.80 3sak s ILE 14 N 1.25 2.06 0.39 -2.34 1.01 -1.26 -5.11 121.20 117.21 3sak s ILE 14 Ca 0.40 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 3sak s ILE 14 Cb -0.18 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 3sak s ILE 14 CO 0.18 0.54 1.04 -0.60 0.00 0.00 0.00 174.94 176.10 3sak s ARG 15 N 1.28 4.20 0.00 2.79 3.52 -1.26 -4.78 118.95 124.70 3sak s ARG 15 Ca 0.05 1.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 3sak s ARG 15 Cb -0.13 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.70 3sak s ARG 15 CO -0.13 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 3sak n GLY 16 N 0.33 -2.54 0.23 8.12 0.00 -1.26 -4.53 105.19 105.55 3sak n GLY 16 Ca 0.05 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3sak n GLY 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3sak h ARG 17 N 0.00 0.78 -0.86 1.61 2.43 -2.00 -2.29 114.38 114.05 3sak h ARG 17 Ca 0.00 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3sak h ARG 17 Cb 0.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3sak h ARG 17 CO 0.00 0.94 0.56 1.49 -1.51 0.00 0.00 179.97 181.45 3sak h GLU 18 N 0.59 1.14 -1.00 0.20 4.22 -1.98 -1.65 114.58 116.10 3sak h GLU 18 Ca 0.09 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.46 3sak h GLU 18 Cb 0.68 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3sak h GLU 18 CO 0.05 0.76 0.66 -0.09 -2.18 0.00 0.00 179.01 178.21 3sak h ARG 19 N 1.17 1.31 -0.32 1.92 2.43 -1.74 -2.13 114.38 117.01 3sak h ARG 19 Ca 0.31 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3sak h ARG 19 Cb -0.12 -0.30 -0.02 0.00 -0.42 0.00 0.00 29.97 29.12 3sak h ARG 19 CO -0.07 0.87 0.21 0.35 -1.51 0.00 0.00 179.97 179.83 3sak h PHE 20 N 1.35 0.40 -1.00 2.20 3.04 -0.74 -2.20 116.94 120.00 3sak h PHE 20 Ca 0.36 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.34 3sak h PHE 20 Cb -0.15 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.17 3sak h PHE 20 CO -0.00 0.25 0.66 0.93 -2.02 0.00 0.00 178.31 178.13 3sak h GLU 21 N 0.43 1.31 0.06 1.11 5.08 -0.92 -0.41 114.58 121.25 3sak h GLU 21 Ca 0.12 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3sak h GLU 21 Cb -0.05 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.91 3sak h GLU 21 CO -0.03 0.87 -0.03 1.98 -1.00 0.00 0.00 179.01 180.80 3sak h MET 22 N 1.35 -0.08 -0.71 2.33 4.05 -0.84 -1.92 114.93 119.10 3sak h MET 22 Ca 0.37 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.72 3sak h MET 22 Cb -0.15 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 3sak h MET 22 CO -0.08 -0.05 0.17 0.74 0.23 0.00 0.00 176.91 177.92 3sak h PHE 23 N -0.09 1.20 -0.69 1.39 0.04 -1.14 -2.58 116.94 115.07 3sak h PHE 23 Ca -0.01 -0.15 0.10 0.00 2.80 0.00 0.00 57.97 60.71 3sak h PHE 23 Cb 0.07 -0.34 -0.07 0.00 2.20 0.00 0.00 35.95 37.81 3sak h PHE 23 CO -0.07 0.98 0.33 -0.09 -0.60 0.00 0.00 178.31 178.85 3sak h ARG 24 N 1.08 0.54 -0.19 1.51 2.43 -0.76 0.99 114.38 119.98 3sak h ARG 24 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3sak h ARG 24 Cb 0.39 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3sak h ARG 24 CO 0.00 0.36 0.13 1.49 -1.51 0.00 0.00 179.97 180.44 3sak h GLU 25 N 0.56 0.25 -0.51 0.20 4.81 -0.98 0.34 114.58 119.25 3sak h GLU 25 Ca 0.34 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3sak h GLU 25 Cb 0.38 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3sak h GLU 25 CO -0.28 0.17 0.21 -0.07 -0.73 0.00 0.00 179.01 178.31 3sak h LEU 26 N 0.26 0.69 -0.01 1.64 3.38 -0.77 0.81 115.31 121.30 3sak h LEU 26 Ca 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3sak h LEU 26 Cb -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3sak h LEU 26 CO -0.01 0.66 0.01 -1.13 0.09 0.00 0.00 178.44 178.05 3sak h ASN 27 N 0.67 0.01 -0.96 -0.43 -0.73 0.14 -1.21 115.58 113.09 3sak h ASN 27 Ca 0.17 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 3sak h ASN 27 Cb 0.18 -0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.72 3sak h ASN 27 CO -0.02 0.01 0.59 -0.33 -0.37 0.00 0.00 177.43 177.32 3sak h GLU 28 N 0.01 1.29 -0.17 6.67 5.08 -0.13 -1.67 114.58 125.66 3sak h GLU 28 Ca 0.00 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3sak h GLU 28 Cb 0.00 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3sak h GLU 28 CO -0.00 0.89 0.10 0.00 -1.00 0.00 0.00 179.01 179.00 3sak h ALA 29 N 1.34 0.21 -0.78 3.43 0.00 -0.30 -1.13 119.26 122.02 3sak h ALA 29 Ca 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3sak h ALA 29 Cb -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3sak h ALA 29 CO -0.07 -0.32 0.41 -0.07 0.00 0.00 0.00 179.25 179.20 3sak h LEU 30 N 0.21 0.99 -0.67 0.00 3.38 -0.86 -1.76 115.31 116.61 3sak h LEU 30 Ca 0.07 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3sak h LEU 30 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3sak h LEU 30 CO -0.03 0.82 0.44 -0.33 0.09 0.00 0.00 178.44 179.44 3sak h GLU 31 N 1.09 0.88 0.22 1.13 5.08 -0.86 0.87 114.58 123.00 3sak h GLU 31 Ca 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3sak h GLU 31 Cb 0.07 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3sak h GLU 31 CO -0.04 0.58 -0.11 1.25 -1.00 0.00 0.00 179.01 179.70 3sak h LEU 32 N 0.91 -0.25 -0.37 1.33 5.85 -0.76 0.19 115.31 122.21 3sak h LEU 32 Ca 0.25 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3sak h LEU 32 Cb -0.10 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3sak h LEU 32 CO -0.05 -0.09 0.14 0.50 -0.34 0.00 0.00 178.44 178.59 3sak h LYS 33 N -0.39 0.56 -1.00 1.25 3.64 -1.06 -1.05 116.57 118.52 3sak h LYS 33 Ca -0.03 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3sak h LYS 33 Cb 0.30 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3sak h LYS 33 CO 0.05 0.56 0.66 -0.44 -2.27 0.00 0.00 179.45 178.01 3sak h ASP 34 N 0.45 1.15 0.18 4.20 3.32 0.91 -0.76 116.42 125.87 3sak h ASP 34 Ca 0.12 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3sak h ASP 34 Cb 0.21 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3sak h ASP 34 CO -0.01 0.83 -0.41 0.00 -1.72 0.00 0.00 179.24 177.93 3sak h ALA 35 N 1.37 1.05 -0.25 3.45 0.00 -0.31 -2.87 119.26 121.70 3sak h ALA 35 Ca 0.37 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3sak h ALA 35 Cb -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3sak h ALA 35 CO -0.08 0.60 -0.45 0.37 0.00 0.00 0.00 179.25 179.69 3sak h GLN 36 N 0.26 0.65 -0.63 0.00 4.15 -0.22 -3.07 115.11 116.24 3sak h GLN 36 Ca 0.02 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.01 3sak h GLN 36 Cb 0.84 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 3sak h GLN 36 CO 0.07 0.97 0.11 0.00 -1.93 0.00 0.00 178.83 178.05 3sak h ALA 37 N 0.98 1.02 0.00 3.38 0.00 -0.98 -3.18 119.26 120.47 3sak h ALA 37 Ca 0.03 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 54.22 3sak h ALA 37 Cb 0.99 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3sak h ALA 37 CO 0.09 0.63 2.71 0.41 0.00 0.00 0.00 179.25 183.09 3sak n GLY 38 N -0.67 3.52 3.72 0.00 0.00 -1.10 -4.89 105.19 105.76 3sak n GLY 38 Ca 0.04 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 3sak n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3sak s LYS 39 N 2.56 4.47 0.61 1.61 2.20 -1.20 -5.02 119.74 124.97 3sak s LYS 39 Ca 0.55 1.02 -0.19 0.00 -0.36 0.00 0.00 55.97 56.99 3sak s LYS 39 Cb 0.16 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3sak s LYS 39 CO -0.04 0.05 1.17 0.39 -0.36 0.00 0.00 175.35 176.56 3sak n GLU 40 N 3.75 1.15 -1.63 4.03 -0.58 -1.26 -4.89 120.64 121.21 3sak n GLU 40 Ca 0.00 0.44 -0.40 0.00 -0.42 0.00 0.00 57.16 56.79 3sak n GLU 40 Cb 0.51 -2.39 0.03 0.00 -0.57 0.00 0.00 31.44 29.02 3sak n GLU 40 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3sak n PRO 41 N -1.34 1.27 -0.50 3.49 -0.01 -1.26 -5.25 135.00 131.41 3sak n PRO 41 Ca 0.14 0.47 0.00 0.00 -0.01 0.00 0.00 63.50 64.10 3sak n PRO 41 Cb 0.47 -2.17 0.00 0.00 -0.01 0.00 0.00 33.50 31.78 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90