#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 -1.48 -2.18 1.64 5.02 -1.26 -3.92 118.16 115.98 3sak n LYS 2 Ca 0.00 0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 56.96 3sak n LYS 2 Cb 0.00 -4.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.61 -0.70 0.00 1.97 4.81 -1.26 -5.05 118.16 114.33 3sak n LYS 3 Ca -0.09 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3sak n LYS 3 Cb 0.59 -3.42 0.00 0.00 0.02 0.00 0.00 35.03 32.23 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 -1.14 1.06 -2.67 1.64 -0.04 -1.25 -4.94 135.00 127.66 3sak n PRO 4 Ca 0.01 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 3sak n PRO 4 Cb 0.43 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 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 0.00 4.38 0.13 1.53 1.43 -1.26 -4.93 118.68 119.96 3sak s LEU 5 Ca 0.00 1.97 0.27 0.00 -1.03 0.00 0.00 54.13 55.34 3sak s LEU 5 Cb 0.00 -3.93 0.97 0.00 0.03 0.00 0.00 46.19 43.26 3sak s LEU 5 CO 0.00 -0.14 1.83 0.47 0.23 0.00 0.00 176.35 178.74 3sak n ASP 6 N 0.67 0.50 -4.55 2.29 8.00 -1.26 -4.66 116.55 117.53 3sak n ASP 6 Ca 0.02 0.54 -0.36 0.00 0.71 0.00 0.00 54.79 55.69 3sak n ASP 6 Cb 0.49 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 -3.35 0.21 0.36 0.44 0.00 -1.26 -4.94 107.32 98.78 3sak s GLY 7 Ca 0.12 -0.83 -0.28 0.00 0.00 0.00 0.00 44.72 43.72 3sak s GLY 7 CO 0.57 3.42 1.44 -0.54 0.00 0.00 0.00 173.10 177.99 3sak s GLU 8 N 7.01 4.18 -0.10 2.90 2.02 -1.26 -4.99 118.70 128.46 3sak s GLU 8 Ca 0.67 2.47 -0.06 0.00 0.02 0.00 0.00 54.97 58.07 3sak s GLU 8 Cb -0.11 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 3sak s GLU 8 CO 0.16 -0.43 0.13 0.71 0.02 0.00 0.00 175.26 175.85 3sak s TYR 9 N -1.12 3.55 -0.01 1.61 1.51 -1.26 -5.10 117.35 116.53 3sak s TYR 9 Ca 0.52 0.47 0.04 0.00 -1.01 0.00 0.00 57.07 57.09 3sak s TYR 9 Cb -0.45 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3sak s TYR 9 CO 0.60 0.70 -0.13 -0.06 -1.11 0.00 0.00 175.55 175.55 3sak s PHE 10 N -1.06 1.15 0.38 2.71 0.08 -1.26 -5.14 117.98 114.83 3sak s PHE 10 Ca 0.17 -0.22 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 3sak s PHE 10 Cb -0.12 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 3sak s PHE 10 CO 0.06 -0.02 0.65 0.95 -0.10 0.00 0.00 175.22 176.77 3sak s THR 11 N -0.33 4.98 -0.14 0.64 -4.23 -1.26 -5.09 115.64 110.21 3sak s THR 11 Ca 0.05 0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.51 3sak s THR 11 Cb -0.05 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 70.03 3sak s THR 11 CO -0.00 -0.58 0.34 -0.22 -0.54 0.00 0.00 174.62 173.61 3sak s LEU 12 N -4.18 0.09 -0.07 4.79 2.96 -1.26 -5.13 118.68 115.88 3sak s LEU 12 Ca 0.45 0.73 -0.25 0.00 -0.22 0.00 0.00 54.13 54.84 3sak s LEU 12 Cb -0.10 1.07 -0.03 0.00 0.50 0.00 0.00 46.19 47.63 3sak s LEU 12 CO 0.37 -0.18 0.80 -1.58 -1.32 0.00 0.00 176.35 174.43 3sak s GLN 13 N 1.42 4.44 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.77 3sak s GLN 13 Ca -0.09 1.04 0.01 0.00 0.05 0.00 0.00 55.36 56.37 3sak s GLN 13 Cb -0.09 -3.48 0.02 0.00 1.10 0.00 0.00 33.01 30.56 3sak s GLN 13 CO -0.11 -0.04 -0.20 0.42 -0.55 0.00 0.00 175.29 174.81 3sak s ILE 14 N 1.13 2.03 0.38 -2.34 1.01 -1.26 -5.11 121.20 117.03 3sak s ILE 14 Ca 0.41 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 3sak s ILE 14 Cb -0.18 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.35 3sak s ILE 14 CO 0.19 0.53 0.98 -0.60 0.00 0.00 0.00 174.94 176.05 3sak s ARG 15 N 1.30 4.35 0.00 2.79 3.52 -1.26 -4.78 118.95 124.87 3sak s ARG 15 Ca 0.05 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 3sak s ARG 15 Cb -0.13 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 3sak s ARG 15 CO -0.13 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 3sak n GLY 16 N 0.16 -3.27 0.36 8.12 0.00 -1.26 -4.42 105.19 104.88 3sak n GLY 16 Ca 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 1.24 -0.64 1.61 2.43 -2.00 -1.88 114.38 115.15 3sak h ARG 17 Ca 0.00 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3sak h ARG 17 Cb 0.00 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3sak h ARG 17 CO 0.00 0.94 0.42 1.49 -1.51 0.00 0.00 179.97 181.31 3sak h GLU 18 N 1.24 0.83 -0.94 0.20 4.81 -1.98 -0.61 114.58 118.12 3sak h GLU 18 Ca 0.30 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3sak h GLU 18 Cb 0.09 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3sak h GLU 18 CO -0.04 0.55 0.61 -0.09 -0.73 0.00 0.00 179.01 179.30 3sak h ARG 19 N 0.86 1.24 -0.51 1.92 2.43 -1.63 -1.18 114.38 117.51 3sak h ARG 19 Ca 0.24 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3sak h ARG 19 Cb -0.08 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.17 3sak h ARG 19 CO -0.06 0.83 0.34 0.35 -1.51 0.00 0.00 179.97 179.92 3sak h PHE 20 N 1.27 0.64 -0.81 2.20 3.57 -0.46 0.16 116.94 123.51 3sak h PHE 20 Ca 0.34 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 3sak h PHE 20 Cb -0.12 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 3sak h PHE 20 CO -0.00 0.40 0.54 0.93 -2.23 0.00 0.00 178.31 177.95 3sak h GLU 21 N 0.69 1.07 0.21 1.11 5.08 -0.39 1.29 114.58 123.64 3sak h GLU 21 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3sak h GLU 21 Cb -0.08 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.93 3sak h GLU 21 CO -0.04 0.71 -0.10 1.98 -1.00 0.00 0.00 179.01 180.56 3sak h MET 22 N 1.10 -0.27 -0.98 2.33 4.05 -0.48 0.40 114.93 121.08 3sak h MET 22 Ca 0.30 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3sak h MET 22 Cb -0.13 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.69 3sak h MET 22 CO -0.06 -0.06 0.62 0.74 0.23 0.00 0.00 176.91 178.37 3sak h PHE 23 N -0.44 1.26 -0.13 1.39 -1.00 -0.25 -1.09 116.94 116.68 3sak h PHE 23 Ca -0.03 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.78 3sak h PHE 23 Cb 0.33 -0.42 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 3sak h PHE 23 CO -0.02 0.81 0.01 -0.09 -1.61 0.00 0.00 178.31 177.42 3sak h ARG 24 N 1.34 0.06 -0.17 1.51 2.43 0.20 0.40 114.38 120.15 3sak h ARG 24 Ca 0.36 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3sak h ARG 24 Cb -0.11 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3sak h ARG 24 CO -0.07 0.04 0.11 1.49 -1.51 0.00 0.00 179.97 180.03 3sak h GLU 25 N 0.06 0.22 -0.78 0.20 4.81 -0.36 -1.29 114.58 117.44 3sak h GLU 25 Ca 0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3sak h GLU 25 Cb 0.06 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3sak h GLU 25 CO -0.09 0.16 0.39 -0.07 -0.73 0.00 0.00 179.01 178.66 3sak h LEU 26 N 0.22 1.02 0.02 1.64 3.38 -0.83 0.38 115.31 121.13 3sak h LEU 26 Ca 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3sak h LEU 26 Cb -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3sak h LEU 26 CO -0.01 0.86 -0.01 -1.13 0.09 0.00 0.00 178.44 178.24 3sak h ASN 27 N 1.10 -0.02 -0.80 -0.43 -0.73 0.18 -0.88 115.58 114.00 3sak h ASN 27 Ca 0.27 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.38 3sak h ASN 27 Cb 0.10 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.66 3sak h ASN 27 CO -0.04 0.00 0.34 -0.33 -0.37 0.00 0.00 177.43 177.04 3sak h GLU 28 N -0.04 1.19 -0.06 6.67 3.07 -1.03 -1.34 114.58 123.04 3sak h GLU 28 Ca -0.00 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.66 3sak h GLU 28 Cb 0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 3sak h GLU 28 CO 0.00 0.95 0.00 0.00 -1.40 0.00 0.00 179.01 178.56 3sak h ALA 29 N 1.21 0.05 -0.53 3.43 0.00 -0.48 0.38 119.26 123.32 3sak h ALA 29 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3sak h ALA 29 Cb 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3sak h ALA 29 CO -0.03 -0.48 0.26 -0.07 0.00 0.00 0.00 179.25 178.94 3sak h LEU 30 N 0.02 0.68 -0.90 0.00 3.38 -0.96 -1.75 115.31 115.78 3sak h LEU 30 Ca 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3sak h LEU 30 Cb 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3sak h LEU 30 CO -0.05 0.60 0.49 -0.33 0.09 0.00 0.00 178.44 179.25 3sak h GLU 31 N 0.70 1.25 -0.06 1.13 5.08 -0.81 -0.85 114.58 121.03 3sak h GLU 31 Ca 0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3sak h GLU 31 Cb 0.10 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3sak h GLU 31 CO -0.02 0.91 0.04 1.25 -1.00 0.00 0.00 179.01 180.19 3sak h LEU 32 N 1.26 0.06 -0.10 1.33 5.85 0.29 0.24 115.31 124.24 3sak h LEU 32 Ca 0.32 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3sak h LEU 32 Cb 0.03 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3sak h LEU 32 CO -0.05 0.05 0.07 0.50 -0.34 0.00 0.00 178.44 178.67 3sak h LYS 33 N 0.07 0.14 -1.01 1.25 3.64 -1.01 -1.19 116.57 118.46 3sak h LYS 33 Ca 0.02 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3sak h LYS 33 Cb -0.00 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3sak h LYS 33 CO -0.00 0.11 0.66 -0.44 -2.27 0.00 0.00 179.45 177.51 3sak h ASP 34 N 0.12 1.16 -0.54 4.20 3.32 -0.90 0.59 116.42 124.37 3sak h ASP 34 Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3sak h ASP 34 Cb 0.01 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3sak h ASP 34 CO -0.01 0.84 0.13 0.00 -1.72 0.00 0.00 179.24 178.48 3sak h ALA 35 N 1.37 0.71 -0.00 3.45 0.00 -0.10 -2.45 119.26 122.24 3sak h ALA 35 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3sak h ALA 35 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3sak h ALA 35 CO -0.08 0.41 -0.19 1.04 0.00 0.00 0.00 179.25 180.43 3sak n GLN 36 N -4.41 0.43 0.26 0.00 6.02 -0.49 -3.66 117.38 115.53 3sak n GLN 36 Ca 0.02 -0.17 0.15 0.00 -0.01 0.00 0.00 57.00 56.99 3sak n GLN 36 Cb 0.23 -1.50 0.64 0.00 1.02 0.00 0.00 30.24 30.63 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 3.38 1.03 0.00 -1.58 0.00 0.69 -2.21 119.26 120.57 3sak h ALA 37 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3sak h ALA 37 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3sak h ALA 37 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3sak n GLY 38 N -0.01 -0.82 0.00 0.00 0.00 -1.24 -4.06 105.19 99.07 3sak n GLY 38 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.94 0.00 -1.68 1.61 3.00 -0.83 -4.91 118.16 114.41 3sak n LYS 39 Ca 0.17 0.14 -0.38 0.00 -0.00 0.00 0.00 58.31 58.24 3sak n LYS 39 Cb 0.08 -0.54 0.06 0.00 0.00 0.00 0.00 35.03 34.63 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 -1.40 1.14 -0.94 1.64 1.02 -1.26 -4.92 120.64 115.93 3sak n GLU 40 Ca 0.00 0.44 -0.33 0.00 -0.02 0.00 0.00 57.16 57.25 3sak n GLU 40 Cb 0.00 -2.37 0.13 0.00 -0.02 0.00 0.00 31.44 29.18 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 -1.28 -0.08 0.00 3.49 -0.04 -1.26 -5.00 135.00 130.83 3sak n PRO 41 Ca 0.14 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3sak n PRO 41 Cb 0.47 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87