#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sak n LYS 2 N 0.00 -1.20 -3.73 1.97 5.02 -1.26 -4.82 118.16 114.14 3sak n LYS 2 Ca 0.00 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.74 3sak n LYS 2 Cb 0.00 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3sak n LYS 3 N -2.14 -1.10 -1.40 1.97 5.02 -1.26 -4.89 118.16 114.37 3sak n LYS 3 Ca 0.00 0.41 -0.34 0.00 -2.02 0.00 0.00 58.31 56.36 3sak n LYS 3 Cb 0.27 -3.92 0.10 0.00 -0.02 0.00 0.00 35.03 31.46 3sak n LYS 3 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3sak s PRO 4 N -6.17 2.06 -0.09 1.97 0.04 -1.26 -4.94 135.00 126.61 3sak s PRO 4 Ca 0.48 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 3sak s PRO 4 Cb -0.18 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3sak s PRO 4 CO 0.88 -1.91 0.96 -0.51 0.04 0.00 0.00 177.00 176.45 3sak s LEU 5 N -5.17 4.27 -0.25 -3.56 1.43 -1.26 -5.00 118.68 109.14 3sak s LEU 5 Ca 0.76 1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 55.07 3sak s LEU 5 Cb -0.31 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.44 3sak s LEU 5 CO 0.46 -0.38 0.96 -1.81 0.23 0.00 0.00 176.35 175.81 3sak s ASP 6 N 1.07 6.97 0.48 2.29 1.01 -1.26 -5.02 116.67 122.21 3sak s ASP 6 Ca 0.47 1.18 -0.22 0.00 0.71 0.00 0.00 52.55 54.70 3sak s ASP 6 Cb -0.19 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.17 3sak s ASP 6 CO 0.19 -0.65 1.13 -0.83 0.21 0.00 0.00 175.17 175.22 3sak s GLY 7 N 1.33 2.70 0.24 0.21 0.00 -1.26 -4.94 107.32 105.60 3sak s GLY 7 Ca 0.41 0.84 -0.31 0.00 0.00 0.00 0.00 44.72 45.65 3sak s GLY 7 CO 0.08 1.24 1.63 -0.54 0.00 0.00 0.00 173.10 175.51 3sak s GLU 8 N -2.92 4.15 -0.00 2.90 2.02 -1.26 -4.99 118.70 118.59 3sak s GLU 8 Ca 0.66 2.54 0.02 0.00 0.02 0.00 0.00 54.97 58.21 3sak s GLU 8 Cb -0.25 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3sak s GLU 8 CO 0.30 -0.66 -0.03 0.71 0.02 0.00 0.00 175.26 175.60 3sak s TYR 9 N 0.60 3.00 -0.01 1.61 2.02 -1.26 -5.12 117.35 118.19 3sak s TYR 9 Ca 0.68 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.44 3sak s TYR 9 Cb -0.48 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3sak s TYR 9 CO 0.39 0.42 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.68 3sak s PHE 10 N -1.04 0.53 0.28 2.71 0.40 -1.26 -5.14 117.98 114.46 3sak s PHE 10 Ca 0.18 -0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 3sak s PHE 10 Cb -0.11 -0.35 -0.08 0.00 0.51 0.00 0.00 43.02 42.99 3sak s PHE 10 CO 0.09 -0.02 0.64 0.95 0.70 0.00 0.00 175.22 177.58 3sak s THR 11 N -0.09 4.82 -0.09 0.64 -4.23 -1.26 -5.08 115.64 110.34 3sak s THR 11 Ca 0.02 0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 61.14 3sak s THR 11 Cb -0.03 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.23 3sak s THR 11 CO -0.00 -0.15 0.22 -0.22 -0.54 0.00 0.00 174.62 173.93 3sak s LEU 12 N -2.97 0.58 -0.04 4.79 2.96 -1.26 -5.13 118.68 117.61 3sak s LEU 12 Ca 0.50 0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 54.61 3sak s LEU 12 Cb -0.11 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.22 3sak s LEU 12 CO 0.20 -0.15 0.84 -1.58 -1.32 0.00 0.00 176.35 174.35 3sak s GLN 13 N 1.08 4.49 -0.17 1.98 0.74 -1.26 -5.04 119.66 121.49 3sak s GLN 13 Ca -0.08 1.15 0.01 0.00 0.05 0.00 0.00 55.36 56.49 3sak s GLN 13 Cb -0.09 -3.46 0.02 0.00 1.10 0.00 0.00 33.01 30.57 3sak s GLN 13 CO -0.07 -0.02 -0.20 0.42 -0.55 0.00 0.00 175.29 174.87 3sak s ILE 14 N 0.99 2.03 0.32 -2.34 1.01 -1.26 -5.11 121.20 116.84 3sak s ILE 14 Ca 0.45 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 3sak s ILE 14 Cb -0.19 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.36 3sak s ILE 14 CO 0.22 0.54 1.06 -0.60 0.00 0.00 0.00 174.94 176.16 3sak s ARG 15 N 1.19 4.47 0.00 2.79 3.52 -1.26 -4.76 118.95 124.90 3sak s ARG 15 Ca 0.02 1.64 0.00 0.00 -0.13 0.00 0.00 55.73 57.27 3sak s ARG 15 Cb -0.14 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3sak s ARG 15 CO -0.10 0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 3sak n GLY 16 N 0.86 -1.78 0.26 8.12 0.00 -1.26 -4.52 105.19 106.88 3sak n GLY 16 Ca 0.01 -0.93 -0.07 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 0.88 -0.85 1.61 2.43 -2.01 -2.09 114.38 114.36 3sak h ARG 17 Ca 0.00 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3sak h ARG 17 Cb 0.00 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3sak h ARG 17 CO 0.00 0.71 0.55 1.49 -1.51 0.00 0.00 179.97 181.22 3sak h GLU 18 N 0.83 1.12 -1.01 0.20 4.81 -1.98 -1.67 114.58 116.88 3sak h GLU 18 Ca 0.21 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3sak h GLU 18 Cb 0.13 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 3sak h GLU 18 CO -0.02 0.75 0.67 -0.09 -0.73 0.00 0.00 179.01 179.58 3sak h ARG 19 N 1.15 1.32 -0.08 1.92 2.43 -1.67 -1.87 114.38 117.58 3sak h ARG 19 Ca 0.31 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3sak h ARG 19 Cb -0.12 -0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 29.12 3sak h ARG 19 CO -0.07 0.88 -0.00 0.35 -1.51 0.00 0.00 179.97 179.62 3sak h PHE 20 N 1.36 -0.01 -0.95 2.20 3.57 -0.65 0.22 116.94 122.69 3sak h PHE 20 Ca 0.37 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.89 3sak h PHE 20 Cb -0.15 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3sak h PHE 20 CO -0.00 -0.01 0.63 0.93 -2.23 0.00 0.00 178.31 177.63 3sak h GLU 21 N 0.02 1.25 0.00 1.11 5.08 -1.12 0.24 114.58 121.17 3sak h GLU 21 Ca 0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3sak h GLU 21 Cb 0.04 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3sak h GLU 21 CO -0.06 0.83 -0.00 1.98 -1.00 0.00 0.00 179.01 180.75 3sak h MET 22 N 1.28 -0.00 -0.87 2.33 4.05 -0.67 -0.95 114.93 120.11 3sak h MET 22 Ca 0.35 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.74 3sak h MET 22 Cb -0.15 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.61 3sak h MET 22 CO -0.08 0.12 0.43 0.74 0.23 0.00 0.00 176.91 178.36 3sak h PHE 23 N -0.12 1.24 -0.76 1.39 -1.00 -0.12 -2.02 116.94 115.55 3sak h PHE 23 Ca -0.00 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.73 3sak h PHE 23 Cb 0.12 -0.39 -0.04 0.00 3.61 0.00 0.00 35.95 39.26 3sak h PHE 23 CO -0.04 0.88 0.50 -0.09 -1.61 0.00 0.00 178.31 177.96 3sak h ARG 24 N 1.23 0.99 -0.27 1.51 2.43 -0.24 0.10 114.38 120.14 3sak h ARG 24 Ca 0.30 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3sak h ARG 24 Cb 0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3sak h ARG 24 CO -0.04 0.66 0.18 1.49 -1.51 0.00 0.00 179.97 180.74 3sak h GLU 25 N 1.02 0.35 -0.38 0.20 4.57 -0.59 0.11 114.58 119.86 3sak h GLU 25 Ca 0.28 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3sak h GLU 25 Cb -0.11 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 3sak h GLU 25 CO -0.06 0.23 0.20 -0.07 -1.18 0.00 0.00 179.01 178.14 3sak h LEU 26 N 0.36 0.47 -0.01 1.64 3.38 -0.75 0.71 115.31 121.11 3sak h LEU 26 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3sak h LEU 26 Cb -0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3sak h LEU 26 CO -0.02 0.43 0.01 -1.13 0.09 0.00 0.00 178.44 177.81 3sak h ASN 27 N 0.48 0.01 -0.96 -0.43 -1.24 -0.45 -1.67 115.58 111.32 3sak h ASN 27 Ca 0.13 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3sak h ASN 27 Cb 0.06 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.06 3sak h ASN 27 CO -0.02 0.01 0.61 -0.08 -1.29 0.00 0.00 177.43 176.66 3sak h GLU 28 N 0.02 1.29 0.01 6.67 4.81 -0.57 -1.37 114.58 125.44 3sak h GLU 28 Ca 0.00 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3sak h GLU 28 Cb -0.00 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.10 3sak h GLU 28 CO -0.00 0.88 -0.01 0.00 -0.73 0.00 0.00 179.01 179.16 3sak h ALA 29 N 1.33 -0.02 -0.79 2.92 0.00 -0.43 0.98 119.26 123.25 3sak h ALA 29 Ca 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3sak h ALA 29 Cb -0.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3sak h ALA 29 CO -0.07 -0.51 0.44 -0.07 0.00 0.00 0.00 179.25 179.04 3sak h LEU 30 N -0.02 0.99 -0.92 0.00 3.38 -1.03 -1.77 115.31 115.94 3sak h LEU 30 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3sak h LEU 30 Cb 0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3sak h LEU 30 CO 0.00 0.80 0.51 -0.33 0.09 0.00 0.00 178.44 179.51 3sak h GLU 31 N 1.10 1.27 -0.01 1.13 5.08 -0.85 -1.03 114.58 121.26 3sak h GLU 31 Ca 0.28 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3sak h GLU 31 Cb 0.02 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3sak h GLU 31 CO -0.05 0.92 0.00 1.25 -1.00 0.00 0.00 179.01 180.13 3sak h LEU 32 N 1.27 -0.00 -1.00 1.33 5.85 0.01 -1.11 115.31 121.66 3sak h LEU 32 Ca 0.32 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.05 3sak h LEU 32 Cb 0.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3sak h LEU 32 CO -0.05 0.00 0.67 0.50 -0.34 0.00 0.00 178.44 179.21 3sak h LYS 33 N 0.01 1.32 -0.96 1.25 3.64 -0.99 -1.93 116.57 118.90 3sak h LYS 33 Ca 0.00 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3sak h LYS 33 Cb 0.00 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.48 3sak h LYS 33 CO -0.01 0.87 0.63 -0.44 -2.27 0.00 0.00 179.45 178.23 3sak h ASP 34 N 1.36 1.12 -0.83 4.20 3.32 -0.63 -1.20 116.42 123.77 3sak h ASP 34 Ca 0.37 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3sak h ASP 34 Cb -0.15 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.08 3sak h ASP 34 CO -0.08 0.82 0.50 0.00 -1.72 0.00 0.00 179.24 178.76 3sak h ALA 35 N 1.38 1.32 0.00 3.45 0.00 -0.42 -0.23 119.26 124.76 3sak h ALA 35 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3sak h ALA 35 Cb -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.32 3sak h ALA 35 CO -0.07 0.59 0.00 1.04 0.00 0.00 0.00 179.25 180.80 3sak n GLN 36 N -4.37 0.05 0.22 0.00 6.02 -0.73 -3.08 117.38 115.49 3sak n GLN 36 Ca 0.09 0.05 0.15 0.00 -0.01 0.00 0.00 57.00 57.29 3sak n GLN 36 Cb 0.06 -1.56 0.62 0.00 1.02 0.00 0.00 30.24 30.38 3sak n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3sak h ALA 37 N 2.88 1.00 0.00 -1.58 0.00 0.14 -3.11 119.26 118.59 3sak h ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3sak h ALA 37 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3sak h ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3sak n GLY 38 N 0.01 1.57 0.00 0.00 0.00 -1.18 -4.14 105.19 101.46 3sak n GLY 38 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3sak n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3sak n LYS 39 N 1.00 0.00 -1.72 1.61 3.00 -1.18 -4.90 118.16 115.99 3sak n LYS 39 Ca 0.00 0.18 -0.38 0.00 -0.00 0.00 0.00 58.31 58.11 3sak n LYS 39 Cb 0.35 -0.60 0.05 0.00 0.00 0.00 0.00 35.03 34.83 3sak n LYS 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3sak n GLU 40 N -1.48 1.35 0.00 1.64 1.02 -1.26 -4.78 120.64 117.13 3sak n GLU 40 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3sak n GLU 40 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 3sak n GLU 40 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3sak n PRO 41 N -1.32 0.18 0.00 3.49 -0.04 -1.26 -5.13 135.00 130.92 3sak n PRO 41 Ca 0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 3sak n PRO 41 Cb 0.46 -1.01 0.61 0.00 -0.04 0.00 0.00 33.50 33.52 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87