#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 0.00 -1.63 1.97 4.81 -1.26 -4.82 118.16 117.24 3sak n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3sak n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3sak n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3sak n LYS 3 N 0.00 -4.29 0.00 1.64 5.02 -1.26 -4.67 118.16 114.61 3sak n LYS 3 Ca 0.00 3.31 0.00 0.00 -2.02 0.00 0.00 58.31 59.60 3sak n LYS 3 Cb 0.00 -4.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 3sak n LYS 3 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3sak n PRO 4 N -2.49 0.00 -2.94 1.97 -0.04 -1.26 -4.54 135.00 125.70 3sak n PRO 4 Ca 0.00 0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 3sak n PRO 4 Cb 0.45 -0.84 -0.05 0.00 -0.04 0.00 0.00 33.50 33.03 3sak n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3sak s LEU 5 N -0.72 4.12 -0.08 1.53 1.43 -1.26 -5.02 118.68 118.68 3sak s LEU 5 Ca 0.00 1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.85 3sak s LEU 5 Cb 0.00 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 3sak s LEU 5 CO 0.00 -0.42 0.92 -1.81 0.23 0.00 0.00 176.35 175.27 3sak s ASP 6 N 1.26 7.19 0.31 2.29 1.01 -1.26 -5.01 116.67 122.46 3sak s ASP 6 Ca 0.34 1.45 -0.29 0.00 0.71 0.00 0.00 52.55 54.77 3sak s ASP 6 Cb -0.16 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.15 3sak s ASP 6 CO 0.10 -0.34 1.23 -0.83 0.21 0.00 0.00 175.17 175.54 3sak s GLY 7 N 1.04 3.02 0.28 0.21 0.00 -1.26 -4.93 107.32 105.68 3sak s GLY 7 Ca 0.46 1.13 -0.30 0.00 0.00 0.00 0.00 44.72 46.01 3sak s GLY 7 CO 0.20 1.77 1.64 -0.54 0.00 0.00 0.00 173.10 176.16 3sak s GLU 8 N -1.66 4.11 -0.03 2.90 2.02 -1.26 -4.99 118.70 119.79 3sak s GLU 8 Ca 0.47 2.61 0.01 0.00 0.02 0.00 0.00 54.97 58.09 3sak s GLU 8 Cb -0.37 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3sak s GLU 8 CO 0.49 -0.68 -0.04 0.71 0.02 0.00 0.00 175.26 175.76 3sak s TYR 9 N 0.28 3.00 -0.00 1.61 1.51 -1.26 -5.12 117.35 117.36 3sak s TYR 9 Ca 0.66 0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 3sak s TYR 9 Cb -0.49 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3sak s TYR 9 CO 0.45 0.40 -0.08 -0.06 -1.11 0.00 0.00 175.55 175.15 3sak s PHE 10 N -0.96 0.71 0.38 2.71 0.08 -1.26 -5.15 117.98 114.49 3sak s PHE 10 Ca 0.16 -0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.98 3sak s PHE 10 Cb -0.11 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.83 3sak s PHE 10 CO 0.06 -0.01 0.70 0.95 -0.10 0.00 0.00 175.22 176.82 3sak s THR 11 N -0.24 4.88 -0.11 0.64 -4.23 -1.26 -5.09 115.64 110.23 3sak s THR 11 Ca 0.03 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 3sak s THR 11 Cb -0.03 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.10 3sak s THR 11 CO -0.00 -0.51 0.26 -0.22 -0.54 0.00 0.00 174.62 173.61 3sak s LEU 12 N -3.89 0.37 -0.09 4.79 2.96 -1.26 -5.13 118.68 116.43 3sak s LEU 12 Ca 0.48 0.55 -0.24 0.00 -0.22 0.00 0.00 54.13 54.71 3sak s LEU 12 Cb -0.10 0.78 -0.03 0.00 0.50 0.00 0.00 46.19 47.34 3sak s LEU 12 CO 0.33 -0.17 0.74 -1.58 -1.32 0.00 0.00 176.35 174.35 3sak s GLN 13 N 1.27 4.40 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.57 3sak s GLN 13 Ca -0.09 0.92 0.01 0.00 0.05 0.00 0.00 55.36 56.25 3sak s GLN 13 Cb -0.10 -3.48 0.02 0.00 1.10 0.00 0.00 33.01 30.55 3sak s GLN 13 CO -0.09 -0.04 -0.20 0.42 -0.55 0.00 0.00 175.29 174.83 3sak s ILE 14 N 1.14 2.06 0.36 -2.34 1.01 -1.26 -5.11 121.20 117.06 3sak s ILE 14 Ca 0.38 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.84 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 0.17 0.54 1.01 -0.60 0.00 0.00 0.00 174.94 176.06 3sak s ARG 15 N 1.29 4.36 0.00 2.79 3.52 -1.26 -4.79 118.95 124.86 3sak s ARG 15 Ca 0.05 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 3sak s ARG 15 Cb -0.13 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3sak s ARG 15 CO -0.13 0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 3sak n GLY 16 N 0.46 -0.70 0.06 8.12 0.00 -1.26 -4.59 105.19 107.28 3sak n GLY 16 Ca 0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 0.08 -1.00 1.61 2.43 -2.01 -0.97 114.38 114.52 3sak h ARG 17 Ca 0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3sak h ARG 17 Cb 0.00 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3sak h ARG 17 CO 0.00 0.06 0.66 0.93 -1.51 0.00 0.00 179.97 180.11 3sak h GLU 18 N 0.08 1.32 -0.87 0.20 4.39 -1.99 -1.61 114.58 116.11 3sak h GLU 18 Ca 0.02 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3sak h GLU 18 Cb -0.01 -0.30 -0.04 0.00 -0.10 0.00 0.00 28.75 28.30 3sak h GLU 18 CO -0.00 0.88 0.57 -0.09 -1.16 0.00 0.00 179.01 179.20 3sak h ARG 19 N 1.36 1.15 -0.75 2.33 9.65 -1.66 -2.11 114.38 124.35 3sak h ARG 19 Ca 0.37 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 59.21 3sak h ARG 19 Cb -0.15 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 28.12 3sak h ARG 19 CO -0.08 0.77 0.46 0.35 2.80 0.00 0.00 179.97 184.27 3sak h PHE 20 N 1.18 0.86 -0.97 2.20 3.57 -0.18 -0.82 116.94 122.79 3sak h PHE 20 Ca 0.32 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3sak h PHE 20 Cb -0.12 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.29 3sak h PHE 20 CO 0.00 0.47 0.64 0.93 -2.23 0.00 0.00 178.31 178.12 3sak h GLU 21 N 0.89 1.27 0.08 1.11 5.08 -1.24 0.64 114.58 122.41 3sak h GLU 21 Ca 0.31 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3sak h GLU 21 Cb 0.07 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3sak h GLU 21 CO -0.13 0.84 -0.04 1.98 -1.00 0.00 0.00 179.01 180.66 3sak h MET 22 N 1.31 -0.11 -0.81 2.33 4.05 -0.91 -1.83 114.93 118.96 3sak h MET 22 Ca 0.36 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.74 3sak h MET 22 Cb -0.15 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 3sak h MET 22 CO -0.08 -0.07 0.34 0.74 0.23 0.00 0.00 176.91 178.07 3sak h PHE 23 N -0.12 1.22 -0.43 1.39 0.04 -0.95 -2.61 116.94 115.48 3sak h PHE 23 Ca -0.01 -0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.76 3sak h PHE 23 Cb 0.09 -0.37 -0.07 0.00 2.20 0.00 0.00 35.95 37.80 3sak h PHE 23 CO -0.07 0.91 -0.00 -0.09 -0.60 0.00 0.00 178.31 178.45 3sak h ARG 24 N 1.18 0.10 -0.28 1.51 2.43 -0.41 0.71 114.38 119.62 3sak h ARG 24 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3sak h ARG 24 Cb 0.19 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3sak h ARG 24 CO -0.03 0.07 0.18 1.49 -1.51 0.00 0.00 179.97 180.18 3sak h GLU 25 N 0.11 0.36 -0.33 0.20 4.81 -1.02 0.41 114.58 119.13 3sak h GLU 25 Ca 0.21 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3sak h GLU 25 Cb 0.31 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3sak h GLU 25 CO -0.36 0.24 0.16 -0.07 -0.73 0.00 0.00 179.01 178.26 3sak h LEU 26 N 0.37 0.43 0.01 1.64 3.38 -0.93 0.68 115.31 120.89 3sak h LEU 26 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3sak h LEU 26 Cb -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3sak h LEU 26 CO -0.02 0.43 -0.01 -1.13 0.09 0.00 0.00 178.44 177.80 3sak h ASN 27 N 0.40 -0.03 -1.01 -0.43 -0.73 0.83 -2.16 115.58 112.45 3sak h ASN 27 Ca 0.11 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.30 3sak h ASN 27 Cb 0.11 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.66 3sak h ASN 27 CO -0.01 -0.02 0.67 -0.33 -0.37 0.00 0.00 177.43 177.37 3sak h GLU 28 N -0.02 1.33 -0.31 6.67 5.08 0.00 -1.82 114.58 125.51 3sak h GLU 28 Ca 0.00 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3sak h GLU 28 Cb 0.02 -0.30 -0.03 0.00 0.50 0.00 0.00 28.75 28.94 3sak h GLU 28 CO -0.00 0.88 0.13 0.00 -1.00 0.00 0.00 179.01 179.01 3sak h ALA 29 N 1.37 0.36 -0.76 3.43 0.00 -0.41 0.16 119.26 123.41 3sak h ALA 29 Ca 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3sak h ALA 29 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3sak h ALA 29 CO -0.08 -0.26 0.43 -0.07 0.00 0.00 0.00 179.25 179.27 3sak h LEU 30 N 0.28 0.93 -0.89 0.00 3.38 -0.92 -2.03 115.31 116.06 3sak h LEU 30 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3sak h LEU 30 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3sak h LEU 30 CO -0.11 0.74 0.57 -0.33 0.09 0.00 0.00 178.44 179.39 3sak h GLU 31 N 1.04 1.18 -0.00 1.13 5.08 -0.56 0.16 114.58 122.61 3sak h GLU 31 Ca 0.27 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3sak h GLU 31 Cb 0.00 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 3sak h GLU 31 CO -0.05 0.80 0.00 1.25 -1.00 0.00 0.00 179.01 180.02 3sak h LEU 32 N 1.21 0.00 -0.72 1.33 5.85 -0.32 0.06 115.31 122.72 3sak h LEU 32 Ca 0.32 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3sak h LEU 32 Cb -0.10 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3sak h LEU 32 CO -0.07 0.01 0.20 0.50 -0.34 0.00 0.00 178.44 178.75 3sak h LYS 33 N -0.01 1.14 -1.00 1.25 3.64 -1.02 -2.50 116.57 118.09 3sak h LYS 33 Ca 0.00 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3sak h LYS 33 Cb 0.01 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 3sak h LYS 33 CO -0.00 0.99 0.65 -0.44 -2.27 0.00 0.00 179.45 178.38 3sak h ASP 34 N 1.08 1.15 -0.84 4.20 3.32 -0.30 0.16 116.42 125.19 3sak h ASP 34 Ca 0.23 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3sak h ASP 34 Cb 0.34 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3sak h ASP 34 CO -0.00 0.84 0.40 0.00 -1.72 0.00 0.00 179.24 178.76 3sak h ALA 35 N 1.37 1.09 -0.22 3.45 0.00 -0.56 0.41 119.26 124.79 3sak h ALA 35 Ca 0.36 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 3sak h ALA 35 Cb -0.14 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.32 3sak h ALA 35 CO -0.08 0.66 -0.67 1.96 0.00 0.00 0.00 179.25 181.12 3sak h GLN 36 N 1.20 0.84 0.00 0.00 4.20 -1.00 -2.86 115.11 117.50 3sak h GLN 36 Ca 0.29 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3sak h GLN 36 Cb 0.13 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3sak h GLN 36 CO -0.04 1.23 0.00 0.00 -0.67 0.00 0.00 178.83 179.36 3sak n ALA 37 N -2.59 2.10 1.28 3.87 0.00 0.49 -3.18 120.51 122.49 3sak n ALA 37 Ca -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.31 3sak n ALA 37 Cb 0.69 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.81 3sak n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sak n GLY 38 N 0.98 -0.64 3.57 0.00 0.00 0.14 -4.67 105.19 104.56 3sak n GLY 38 Ca 0.06 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3sak n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sak s LYS 39 N -2.00 3.60 0.65 1.61 1.02 -1.19 -5.02 119.74 118.41 3sak s LYS 39 Ca 0.03 0.18 -0.18 0.00 0.02 0.00 0.00 55.97 56.02 3sak s LYS 39 Cb 0.01 -3.88 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 3sak s LYS 39 CO 0.02 -1.04 1.30 -1.21 -0.92 0.00 0.00 175.35 173.50 3sak s GLU 40 N 3.38 2.53 0.00 1.68 0.41 -1.26 -4.78 118.70 120.66 3sak s GLU 40 Ca 0.33 2.07 0.00 0.00 -0.41 0.00 0.00 54.97 56.97 3sak s GLU 40 Cb -0.12 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 3sak s GLU 40 CO 0.21 -1.62 0.30 -0.35 -0.49 0.00 0.00 175.26 173.32 3sak n PRO 41 N -1.93 0.00 0.00 0.39 -0.04 -1.26 -5.23 135.00 126.94 3sak n PRO 41 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3sak n PRO 41 Cb 0.48 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87