#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 -3.77 1.97 5.02 -1.26 -4.86 118.16 115.26 3sak n LYS 2 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3sak n LYS 2 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 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 13.94 -1.00 0.00 1.97 5.02 -1.26 -4.93 118.16 131.90 3sak n LYS 3 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3sak n LYS 3 Cb 0.00 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 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 -3.89 0.00 -2.70 1.97 -0.04 -1.26 -4.58 135.00 124.49 3sak n PRO 4 Ca -0.14 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 3sak n PRO 4 Cb 0.60 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.38 4.23 0.23 1.53 2.01 -1.26 -5.01 118.68 120.03 3sak s LEU 5 Ca 0.00 1.49 -0.29 0.00 0.01 0.00 0.00 54.13 55.34 3sak s LEU 5 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 46.19 42.59 3sak s LEU 5 CO 0.00 -0.45 0.91 -1.81 1.01 0.00 0.00 176.35 176.01 3sak s ASP 6 N 1.10 7.61 0.29 2.29 1.01 -1.26 -5.00 116.67 122.71 3sak s ASP 6 Ca 0.47 1.90 -0.29 0.00 0.71 0.00 0.00 52.55 55.34 3sak s ASP 6 Cb -0.18 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.06 3sak s ASP 6 CO 0.17 0.17 1.26 -0.83 0.21 0.00 0.00 175.17 176.15 3sak s GLY 7 N -1.17 2.88 0.33 0.21 0.00 -1.26 -4.94 107.32 103.37 3sak s GLY 7 Ca 0.40 1.15 -0.29 0.00 0.00 0.00 0.00 44.72 45.98 3sak s GLY 7 CO 0.31 1.86 1.53 -0.54 0.00 0.00 0.00 173.10 176.27 3sak s GLU 8 N -1.32 4.13 -0.09 2.90 2.02 -1.26 -4.99 118.70 120.09 3sak s GLU 8 Ca 0.50 2.55 -0.03 0.00 0.02 0.00 0.00 54.97 58.01 3sak s GLU 8 Cb -0.37 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3sak s GLU 8 CO 0.47 -0.57 0.04 0.71 0.02 0.00 0.00 175.26 175.93 3sak s TYR 9 N -0.54 3.28 -0.01 1.61 1.51 -1.26 -5.11 117.35 116.83 3sak s TYR 9 Ca 0.58 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.95 3sak s TYR 9 Cb -0.47 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 3sak s TYR 9 CO 0.55 0.54 -0.07 -0.06 -1.11 0.00 0.00 175.55 175.40 3sak s PHE 10 N -0.93 0.65 0.44 2.71 0.08 -1.26 -5.15 117.98 114.53 3sak s PHE 10 Ca 0.14 -0.12 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 3sak s PHE 10 Cb -0.12 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 3sak s PHE 10 CO 0.03 -0.01 0.75 0.95 -0.10 0.00 0.00 175.22 176.83 3sak s THR 11 N -0.16 4.90 -0.13 0.64 -4.23 -1.26 -5.09 115.64 110.31 3sak s THR 11 Ca 0.03 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3sak s THR 11 Cb -0.03 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 70.05 3sak s THR 11 CO -0.00 -0.70 0.29 -0.22 -0.54 0.00 0.00 174.62 173.44 3sak s LEU 12 N -4.38 0.08 -0.14 4.79 2.96 -1.26 -5.13 118.68 115.61 3sak s LEU 12 Ca 0.48 0.63 -0.23 0.00 -0.22 0.00 0.00 54.13 54.78 3sak s LEU 12 Cb -0.10 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.43 3sak s LEU 12 CO 0.40 -0.19 0.72 -1.58 -1.32 0.00 0.00 176.35 174.38 3sak s GLN 13 N 1.65 4.33 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.88 3sak s GLN 13 Ca -0.06 0.85 0.01 0.00 0.05 0.00 0.00 55.36 56.21 3sak s GLN 13 Cb -0.11 -3.53 0.02 0.00 1.10 0.00 0.00 33.01 30.50 3sak s GLN 13 CO -0.10 -0.15 -0.20 0.42 -0.55 0.00 0.00 175.29 174.71 3sak s ILE 14 N 1.57 2.06 0.44 -2.34 1.01 -1.26 -5.11 121.20 117.56 3sak s ILE 14 Ca 0.35 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 3sak s ILE 14 Cb -0.17 -1.86 -0.10 0.00 0.01 0.00 0.00 42.46 40.34 3sak s ILE 14 CO 0.14 0.54 0.98 -0.60 0.00 0.00 0.00 174.94 176.00 3sak s ARG 15 N 1.29 4.12 0.00 2.79 3.52 -1.26 -4.76 118.95 124.65 3sak s ARG 15 Ca 0.05 1.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 3sak s ARG 15 Cb -0.13 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 3sak s ARG 15 CO -0.13 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 3sak n GLY 16 N -0.41 -2.14 0.30 8.12 0.00 -1.26 -4.54 105.19 105.27 3sak n GLY 16 Ca 0.07 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 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 1.04 -0.95 1.61 2.43 -2.01 -2.17 114.38 114.34 3sak h ARG 17 Ca 0.00 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3sak h ARG 17 Cb 0.00 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 3sak h ARG 17 CO 0.00 0.82 0.62 1.05 -1.51 0.00 0.00 179.97 180.95 3sak h GLU 18 N 1.01 1.25 -0.79 0.20 4.11 -1.98 -2.02 114.58 116.36 3sak h GLU 18 Ca 0.25 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.55 3sak h GLU 18 Cb 0.13 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3sak h GLU 18 CO -0.03 0.83 0.29 -0.09 0.07 0.00 0.00 179.01 180.09 3sak h ARG 19 N 1.29 1.19 -0.12 1.06 2.43 -1.68 -1.90 114.38 116.65 3sak h ARG 19 Ca 0.35 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3sak h ARG 19 Cb -0.14 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 3sak h ARG 19 CO -0.07 0.97 -0.00 0.35 -1.51 0.00 0.00 179.97 179.71 3sak h PHE 20 N 1.15 -0.01 -0.94 2.20 3.57 -0.76 0.37 116.94 122.51 3sak h PHE 20 Ca 0.26 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3sak h PHE 20 Cb 0.24 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3sak h PHE 20 CO 0.02 -0.02 0.63 0.93 -2.23 0.00 0.00 178.31 177.64 3sak h GLU 21 N 0.04 1.24 0.19 1.11 5.08 -1.25 0.78 114.58 121.77 3sak h GLU 21 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3sak h GLU 21 Cb 0.06 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3sak h GLU 21 CO -0.09 0.82 -0.09 1.98 -1.00 0.00 0.00 179.01 180.63 3sak h MET 22 N 1.28 -0.24 -0.62 2.33 4.05 -0.50 0.29 114.93 121.51 3sak h MET 22 Ca 0.35 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.75 3sak h MET 22 Cb -0.15 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 3sak h MET 22 CO -0.08 -0.04 0.26 0.74 0.23 0.00 0.00 176.91 178.02 3sak h PHE 23 N -0.40 0.94 -0.67 1.39 -1.00 0.08 -1.09 116.94 116.20 3sak h PHE 23 Ca -0.03 -0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.70 3sak h PHE 23 Cb 0.31 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 3sak h PHE 23 CO -0.02 0.74 0.44 -0.09 -1.61 0.00 0.00 178.31 177.77 3sak h ARG 24 N 0.87 0.86 -0.03 1.51 2.43 0.79 0.39 114.38 121.20 3sak h ARG 24 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3sak h ARG 24 Cb 0.19 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3sak h ARG 24 CO -0.02 0.57 0.02 1.49 -1.51 0.00 0.00 179.97 180.52 3sak h GLU 25 N 0.89 0.04 -0.48 0.20 4.81 0.12 0.67 114.58 120.83 3sak h GLU 25 Ca 0.25 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3sak h GLU 25 Cb -0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3sak h GLU 25 CO -0.06 0.03 0.30 -0.07 -0.73 0.00 0.00 179.01 178.48 3sak h LEU 26 N 0.03 0.56 -0.02 1.64 3.38 -0.69 0.36 115.31 120.57 3sak h LEU 26 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3sak h LEU 26 Cb -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3sak h LEU 26 CO -0.00 0.43 0.01 -1.13 0.09 0.00 0.00 178.44 177.83 3sak h ASN 27 N 0.64 0.01 -0.87 -0.43 -0.73 0.29 -1.80 115.58 112.69 3sak h ASN 27 Ca 0.17 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 3sak h ASN 27 Cb -0.04 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.50 3sak h ASN 27 CO -0.04 0.01 0.45 -0.33 -0.37 0.00 0.00 177.43 177.15 3sak h GLU 28 N 0.02 1.24 -0.40 6.67 4.39 0.74 -1.83 114.58 125.41 3sak h GLU 28 Ca 0.01 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.56 3sak h GLU 28 Cb 0.00 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 3sak h GLU 28 CO -0.00 0.93 0.22 0.00 -1.16 0.00 0.00 179.01 178.99 3sak h ALA 29 N 1.25 0.50 -0.75 3.43 0.00 0.12 0.12 119.26 123.93 3sak h ALA 29 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3sak h ALA 29 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3sak h ALA 29 CO -0.04 -0.13 0.36 -0.07 0.00 0.00 0.00 179.25 179.37 3sak h LEU 30 N 0.44 0.99 -0.71 0.00 3.38 -0.99 -1.49 115.31 116.94 3sak h LEU 30 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3sak h LEU 30 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3sak h LEU 30 CO -0.09 0.85 0.46 -0.33 0.09 0.00 0.00 178.44 179.42 3sak h GLU 31 N 1.06 0.94 -0.01 1.13 5.08 -0.49 0.16 114.58 122.44 3sak h GLU 31 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3sak h GLU 31 Cb 0.13 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3sak h GLU 31 CO -0.03 0.63 0.01 1.25 -1.00 0.00 0.00 179.01 179.87 3sak h LEU 32 N 0.96 0.01 -0.59 1.33 5.85 -0.17 0.75 115.31 123.46 3sak h LEU 32 Ca 0.26 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3sak h LEU 32 Cb -0.09 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3sak h LEU 32 CO -0.05 0.02 0.33 0.50 -0.34 0.00 0.00 178.44 178.89 3sak h LYS 33 N 0.01 0.81 -1.00 1.25 3.64 -0.91 -2.22 116.57 118.15 3sak h LYS 33 Ca 0.00 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3sak h LYS 33 Cb 0.01 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 3sak h LYS 33 CO -0.00 0.61 0.67 -0.44 -2.27 0.00 0.00 179.45 178.02 3sak h ASP 34 N 0.79 1.15 -0.41 4.20 3.32 -0.32 0.55 116.42 125.71 3sak h ASP 34 Ca 0.21 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3sak h ASP 34 Cb 0.03 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3sak h ASP 34 CO -0.03 0.84 0.17 0.00 -1.72 0.00 0.00 179.24 178.49 3sak h ALA 35 N 1.37 0.53 -0.00 3.45 0.00 -0.33 -2.22 119.26 122.06 3sak h ALA 35 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3sak h ALA 35 Cb -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3sak h ALA 35 CO -0.08 0.13 -0.12 1.04 0.00 0.00 0.00 179.25 180.22 3sak n GLN 36 N -4.64 0.22 0.24 0.00 6.02 -0.88 -3.54 117.38 114.80 3sak n GLN 36 Ca 0.00 -0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.06 3sak n GLN 36 Cb 0.14 -1.50 0.57 0.00 1.02 0.00 0.00 30.24 30.47 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 3.20 1.05 -0.82 -1.58 0.00 0.75 -3.03 119.26 118.84 3sak h ALA 37 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3sak h ALA 37 Cb 0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3sak h ALA 37 CO 0.00 0.19 0.54 0.78 0.00 0.00 0.00 179.25 180.76 3sak h GLY 38 N 1.84 1.15 -4.07 0.00 0.00 -1.61 -3.41 103.07 96.97 3sak h GLY 38 Ca -0.00 -0.43 -0.54 0.00 0.00 0.00 0.00 47.33 46.35 3sak h GLY 38 CO 0.02 0.43 0.04 0.54 0.00 0.00 0.00 176.54 177.57 3sak s LYS 39 N -6.12 4.23 0.59 4.80 1.02 -1.14 -5.03 119.74 118.08 3sak s LYS 39 Ca -0.13 0.80 -0.20 0.00 0.02 0.00 0.00 55.97 56.46 3sak s LYS 39 Cb 0.16 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3sak s LYS 39 CO 0.79 0.50 1.15 0.39 -0.92 0.00 0.00 175.35 177.26 3sak n GLU 40 N 1.12 1.19 -1.67 1.68 4.71 -1.26 -4.90 120.64 121.51 3sak n GLU 40 Ca -0.06 0.45 -0.38 0.00 -0.01 0.00 0.00 57.16 57.16 3sak n GLU 40 Cb 0.51 -2.35 0.05 0.00 -1.01 0.00 0.00 31.44 28.63 3sak n GLU 40 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3sak n PRO 41 N -1.14 1.25 0.00 3.49 -0.04 -1.26 -5.09 135.00 132.21 3sak n PRO 41 Ca 0.13 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 3sak n PRO 41 Cb 0.46 -2.35 0.01 0.00 -0.04 0.00 0.00 33.50 31.58 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87