#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 -3.39 1.97 5.02 -1.26 -4.88 118.16 115.62 3sak n LYS 2 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3sak n LYS 2 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 3sak n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3sak n LYS 3 N 13.99 -1.42 0.00 1.97 4.81 -1.26 -4.74 118.16 131.52 3sak n LYS 3 Ca 0.00 1.09 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 3sak n LYS 3 Cb 0.00 -4.40 0.00 0.00 0.02 0.00 0.00 35.03 30.65 3sak n LYS 3 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3sak n PRO 4 N -2.43 0.33 -0.06 1.64 -0.04 -1.26 -3.60 135.00 129.58 3sak n PRO 4 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3sak n PRO 4 Cb 0.58 -1.07 0.02 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.15 2.24 -4.84 1.53 7.99 -1.26 -4.87 117.00 117.64 3sak n LEU 5 Ca 0.00 -1.13 -0.31 0.00 -0.01 0.00 0.00 56.01 54.56 3sak n LEU 5 Cb 0.03 -0.52 0.04 0.00 -0.11 0.00 0.00 43.42 42.87 3sak n LEU 5 CO 0.00 0.40 0.71 -1.81 -1.51 0.00 0.00 177.39 175.19 3sak s ASP 6 N 0.41 5.63 0.55 -1.43 1.01 -1.24 -5.00 116.67 116.61 3sak s ASP 6 Ca 0.03 1.53 -0.20 0.00 0.71 0.00 0.00 52.55 54.62 3sak s ASP 6 Cb 0.03 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 3sak s ASP 6 CO 0.01 -1.27 1.22 -0.83 0.21 0.00 0.00 175.17 174.51 3sak s GLY 7 N -3.94 2.77 0.38 0.21 0.00 -1.26 -4.92 107.32 100.56 3sak s GLY 7 Ca 0.57 1.04 -0.28 0.00 0.00 0.00 0.00 44.72 46.05 3sak s GLY 7 CO 0.55 1.46 1.50 -0.54 0.00 0.00 0.00 173.10 176.07 3sak s GLU 8 N -3.11 4.09 0.03 2.90 2.02 -1.26 -4.99 118.70 118.38 3sak s GLU 8 Ca 0.73 2.60 -0.04 0.00 0.02 0.00 0.00 54.97 58.27 3sak s GLU 8 Cb -0.31 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 3sak s GLU 8 CO 0.35 -0.56 0.25 0.71 0.02 0.00 0.00 175.26 176.04 3sak s TYR 9 N -1.12 3.55 -0.00 1.61 1.51 -1.26 -5.11 117.35 116.53 3sak s TYR 9 Ca 0.53 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 57.07 3sak s TYR 9 Cb -0.47 -1.91 -0.00 0.00 -0.11 0.00 0.00 41.96 39.46 3sak s TYR 9 CO 0.64 0.59 -0.06 -0.06 -1.11 0.00 0.00 175.55 175.55 3sak s PHE 10 N -1.39 0.50 0.28 2.71 0.08 -1.26 -5.15 117.98 113.75 3sak s PHE 10 Ca 0.31 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 57.15 3sak s PHE 10 Cb -0.13 -0.32 -0.07 0.00 -0.57 0.00 0.00 43.02 41.93 3sak s PHE 10 CO 0.20 -0.01 0.61 0.95 -0.10 0.00 0.00 175.22 176.86 3sak s THR 11 N -0.16 4.89 -0.08 0.64 -4.23 -1.26 -5.09 115.64 110.35 3sak s THR 11 Ca 0.02 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 3sak s THR 11 Cb -0.02 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 70.20 3sak s THR 11 CO -0.00 -0.19 0.18 -0.22 -0.54 0.00 0.00 174.62 173.85 3sak s LEU 12 N -3.09 0.74 -0.07 4.79 2.96 -1.26 -5.13 118.68 117.62 3sak s LEU 12 Ca 0.48 0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 54.50 3sak s LEU 12 Cb -0.11 0.52 -0.03 0.00 0.50 0.00 0.00 46.19 47.07 3sak s LEU 12 CO 0.23 -0.14 0.86 -1.58 -1.32 0.00 0.00 176.35 174.40 3sak s GLN 13 N 1.01 4.45 -0.17 1.98 0.74 -1.26 -5.04 119.66 121.37 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 -3.48 0.02 0.00 1.10 0.00 0.00 33.01 30.55 3sak s GLN 13 CO -0.06 -0.09 -0.19 0.42 -0.55 0.00 0.00 175.29 174.82 3sak s ILE 14 N 1.25 2.00 0.35 -2.34 1.01 -1.26 -5.11 121.20 117.10 3sak s ILE 14 Ca 0.44 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.92 3sak s ILE 14 Cb -0.19 -1.81 -0.09 0.00 0.01 0.00 0.00 42.46 40.38 3sak s ILE 14 CO 0.21 0.53 1.08 -0.60 0.00 0.00 0.00 174.94 176.15 3sak s ARG 15 N 1.27 4.34 0.00 2.79 3.52 -1.26 -4.76 118.95 124.84 3sak s ARG 15 Ca 0.04 1.65 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 3sak s ARG 15 Cb -0.13 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 3sak s ARG 15 CO -0.12 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 3sak n GLY 16 N 0.70 -2.75 0.30 8.12 0.00 -1.26 -4.47 105.19 105.83 3sak n GLY 16 Ca 0.03 -0.92 -0.08 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 1.05 -0.70 1.61 9.65 -2.00 -2.14 114.38 121.85 3sak h ARG 17 Ca 0.00 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.63 3sak h ARG 17 Cb 0.00 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 3sak h ARG 17 CO 0.00 0.95 0.46 0.93 2.80 0.00 0.00 179.97 185.11 3sak h GLU 18 N 0.97 0.92 -0.97 0.20 5.08 -1.98 -1.61 114.58 117.19 3sak h GLU 18 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3sak h GLU 18 Cb 0.38 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3sak h GLU 18 CO 0.00 0.61 0.60 -0.09 -1.00 0.00 0.00 179.01 179.13 3sak h ARG 19 N 0.94 1.30 -0.11 2.33 2.43 -1.71 -1.41 114.38 118.16 3sak h ARG 19 Ca 0.26 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3sak h ARG 19 Cb -0.11 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.16 3sak h ARG 19 CO -0.06 0.90 0.06 0.35 -1.51 0.00 0.00 179.97 179.71 3sak h PHE 20 N 1.33 0.11 -1.01 2.20 3.57 -0.66 0.18 116.94 122.65 3sak h PHE 20 Ca 0.35 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.87 3sak h PHE 20 Cb -0.08 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 3sak h PHE 20 CO 0.00 0.06 0.66 0.93 -2.23 0.00 0.00 178.31 177.74 3sak h GLU 21 N 0.12 1.29 0.00 1.11 5.08 -0.92 0.34 114.58 121.61 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 0.00 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.96 3sak h GLU 21 CO -0.03 0.86 -0.00 1.98 -1.00 0.00 0.00 179.01 180.82 3sak h MET 22 N 1.33 -0.00 -0.85 2.33 4.05 -0.52 -1.16 114.93 120.11 3sak h MET 22 Ca 0.38 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 3sak h MET 22 Cb -0.10 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.66 3sak h MET 22 CO -0.10 0.17 0.39 0.74 0.23 0.00 0.00 176.91 178.35 3sak h PHE 23 N -0.18 1.23 -0.68 1.39 -1.00 -0.19 -2.05 116.94 115.47 3sak h PHE 23 Ca -0.00 -0.07 0.02 0.00 2.81 0.00 0.00 57.97 60.73 3sak h PHE 23 Cb 0.18 -0.38 -0.04 0.00 3.61 0.00 0.00 35.95 39.32 3sak h PHE 23 CO -0.02 0.90 0.44 -0.09 -1.61 0.00 0.00 178.31 177.93 3sak h ARG 24 N 1.21 0.85 -0.34 1.51 2.43 -0.09 0.30 114.38 120.24 3sak h ARG 24 Ca 0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3sak h ARG 24 Cb 0.14 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3sak h ARG 24 CO -0.03 0.56 0.22 1.49 -1.51 0.00 0.00 179.97 180.70 3sak h GLU 25 N 0.87 0.45 -0.56 0.20 4.81 -0.68 0.83 114.58 120.51 3sak h GLU 25 Ca 0.26 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3sak h GLU 25 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3sak h GLU 25 CO -0.08 0.31 0.24 -0.07 -0.73 0.00 0.00 179.01 178.68 3sak h LEU 26 N 0.46 0.75 0.00 1.64 3.38 -0.69 0.19 115.31 121.04 3sak h LEU 26 Ca 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3sak h LEU 26 Cb -0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3sak h LEU 26 CO -0.03 0.69 -0.00 -1.13 0.09 0.00 0.00 178.44 178.07 3sak h ASN 27 N 0.75 -0.00 -0.88 -0.43 -0.73 0.05 -0.99 115.58 113.35 3sak h ASN 27 Ca 0.19 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 3sak h ASN 27 Cb 0.16 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 3sak h ASN 27 CO -0.02 -0.00 0.45 -0.33 -0.37 0.00 0.00 177.43 177.16 3sak h GLU 28 N -0.00 1.24 -0.08 6.67 5.08 -0.61 -1.39 114.58 125.48 3sak h GLU 28 Ca 0.00 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3sak h GLU 28 Cb 0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3sak h GLU 28 CO -0.00 0.93 0.02 0.00 -1.00 0.00 0.00 179.01 178.96 3sak h ALA 29 N 1.25 0.08 -0.54 3.43 0.00 -0.10 0.18 119.26 123.56 3sak h ALA 29 Ca 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3sak h ALA 29 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3sak h ALA 29 CO -0.04 -0.45 0.29 -0.07 0.00 0.00 0.00 179.25 178.98 3sak h LEU 30 N 0.06 0.68 -0.99 0.00 3.38 -0.94 -2.03 115.31 115.46 3sak h LEU 30 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3sak h LEU 30 Cb 0.02 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3sak h LEU 30 CO -0.04 0.58 0.63 -0.33 0.09 0.00 0.00 178.44 179.37 3sak h GLU 31 N 0.72 1.31 -0.13 1.13 5.08 -0.82 -0.96 114.58 120.90 3sak h GLU 31 Ca 0.19 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3sak h GLU 31 Cb 0.06 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3sak h GLU 31 CO -0.03 0.89 0.09 1.25 -1.00 0.00 0.00 179.01 180.21 3sak h LEU 32 N 1.34 0.15 -1.01 1.33 5.85 -0.11 -1.74 115.31 121.12 3sak h LEU 32 Ca 0.36 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3sak h LEU 32 Cb -0.11 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3sak h LEU 32 CO -0.07 0.11 0.67 0.50 -0.34 0.00 0.00 178.44 179.31 3sak h LYS 33 N 0.18 1.33 -1.01 1.25 3.64 -0.91 -2.14 116.57 118.90 3sak h LYS 33 Ca 0.05 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3sak h LYS 33 Cb -0.02 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.45 3sak h LYS 33 CO -0.01 0.88 0.67 -0.44 -2.27 0.00 0.00 179.45 178.28 3sak h ASP 34 N 1.37 1.15 -0.89 4.20 3.32 -0.57 0.63 116.42 125.63 3sak h ASP 34 Ca 0.37 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 3sak h ASP 34 Cb -0.16 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.06 3sak h ASP 34 CO -0.08 0.83 0.47 0.00 -1.72 0.00 0.00 179.24 178.74 3sak h ALA 35 N 1.38 1.14 0.00 3.45 0.00 -0.67 -1.34 119.26 123.23 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 -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.29 3sak h ALA 35 CO -0.09 0.67 -0.08 1.04 0.00 0.00 0.00 179.25 180.79 3sak n GLN 36 N -4.32 0.00 0.00 0.00 6.02 -0.75 -3.32 117.38 115.00 3sak n GLN 36 Ca 0.09 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 3sak n GLN 36 Cb 0.11 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.29 3sak n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3sak n ALA 37 N -1.50 1.90 1.64 -1.58 0.00 0.14 -2.49 120.51 118.62 3sak n ALA 37 Ca 0.07 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.58 3sak n ALA 37 Cb 0.34 -1.30 0.82 0.00 0.00 0.00 0.00 19.45 19.31 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 0.37 -1.09 3.79 0.00 0.00 -1.21 -4.79 105.19 102.26 3sak n GLY 38 Ca 0.06 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.28 4.40 0.65 1.61 1.02 -1.04 -5.03 119.74 119.07 3sak s LYS 39 Ca 0.37 0.96 -0.17 0.00 0.02 0.00 0.00 55.97 57.14 3sak s LYS 39 Cb 0.20 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 3sak s LYS 39 CO 0.40 0.57 1.02 -0.85 -0.92 0.00 0.00 175.35 175.57 3sak n GLU 40 N 1.78 0.81 -1.21 1.68 0.28 -1.26 -4.90 120.64 117.82 3sak n GLU 40 Ca -0.07 0.33 -0.35 0.00 -0.16 0.00 0.00 57.16 56.90 3sak n GLU 40 Cb 0.50 -2.25 0.09 0.00 1.43 0.00 0.00 31.44 31.21 3sak n GLU 40 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3sak n PRO 41 N -1.44 0.28 -0.96 3.44 -0.04 -1.26 -5.16 135.00 129.86 3sak n PRO 41 Ca 0.14 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3sak n PRO 41 Cb 0.48 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87