#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 -1.61 1.97 5.02 -1.26 -4.96 118.16 117.32 3sak n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3sak n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.66 -4.25 0.00 1.97 5.02 -1.26 -4.89 118.16 114.10 3sak n LYS 3 Ca 0.00 3.29 0.00 0.00 -2.02 0.00 0.00 58.31 59.58 3sak n LYS 3 Cb 0.00 -4.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 3sak n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3sak n PRO 4 N -2.58 0.64 -2.60 1.97 -0.01 -1.26 -4.86 135.00 126.30 3sak n PRO 4 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 63.08 3sak n PRO 4 Cb 0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 33.50 33.93 3sak n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 3sak s LEU 5 N 0.00 4.48 0.71 2.45 1.43 -1.26 -5.03 118.68 121.46 3sak s LEU 5 Ca 0.00 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 3sak s LEU 5 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.64 3sak s LEU 5 CO 0.00 -0.18 1.09 -1.81 0.23 0.00 0.00 176.35 175.68 3sak s ASP 6 N 0.09 5.38 0.62 2.29 1.01 -1.26 -5.01 116.67 119.78 3sak s ASP 6 Ca 0.49 1.21 -0.17 0.00 0.71 0.00 0.00 52.55 54.79 3sak s ASP 6 Cb -0.27 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3sak s ASP 6 CO 0.32 -1.39 1.17 -0.83 0.21 0.00 0.00 175.17 174.64 3sak s GLY 7 N -4.25 2.51 0.37 0.21 0.00 -1.26 -4.93 107.32 99.98 3sak s GLY 7 Ca 0.58 0.84 -0.28 0.00 0.00 0.00 0.00 44.72 45.86 3sak s GLY 7 CO 0.52 1.21 1.51 1.18 0.00 0.00 0.00 173.10 177.53 3sak n GLU 8 N -1.90 2.71 -3.99 2.90 1.02 -1.26 -4.99 120.64 115.12 3sak n GLU 8 Ca 0.12 0.95 -0.32 0.00 -0.02 0.00 0.00 57.16 57.90 3sak n GLU 8 Cb 0.51 -2.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.18 3sak n GLU 8 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3sak s TYR 9 N -1.00 3.38 -0.03 -0.32 2.02 -1.26 -5.11 117.35 115.02 3sak s TYR 9 Ca 0.54 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.47 3sak s TYR 9 Cb -0.47 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3sak s TYR 9 CO 0.62 0.57 -0.08 -0.06 -1.57 0.00 0.00 175.55 175.03 3sak s PHE 10 N -1.37 0.92 0.41 2.71 0.40 -1.26 -5.14 117.98 114.64 3sak s PHE 10 Ca 0.29 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.31 3sak s PHE 10 Cb -0.12 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 3sak s PHE 10 CO 0.22 -0.13 0.73 0.95 0.70 0.00 0.00 175.22 177.69 3sak s THR 11 N 0.37 4.89 -0.11 0.64 -4.23 -1.26 -5.09 115.64 110.85 3sak s THR 11 Ca -0.06 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 3sak s THR 11 Cb -0.10 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 70.00 3sak s THR 11 CO 0.01 -0.61 0.24 -0.22 -0.54 0.00 0.00 174.62 173.50 3sak s LEU 12 N -4.15 0.37 -0.11 4.79 2.96 -1.26 -5.13 118.68 116.15 3sak s LEU 12 Ca 0.48 0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 54.66 3sak s LEU 12 Cb -0.10 0.72 -0.03 0.00 0.50 0.00 0.00 46.19 47.28 3sak s LEU 12 CO 0.36 -0.17 0.78 -1.58 -1.32 0.00 0.00 176.35 174.42 3sak s GLN 13 N 1.35 4.38 -0.18 1.98 0.74 -1.26 -5.04 119.66 121.64 3sak s GLN 13 Ca -0.08 0.99 0.01 0.00 0.05 0.00 0.00 55.36 56.32 3sak s GLN 13 Cb -0.11 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.52 3sak s GLN 13 CO -0.08 -0.12 -0.20 0.42 -0.55 0.00 0.00 175.29 174.75 3sak s ILE 14 N 1.43 2.05 0.46 -2.34 1.01 -1.26 -5.11 121.20 117.43 3sak s ILE 14 Ca 0.39 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3sak s ILE 14 Cb -0.18 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 3sak s ILE 14 CO 0.17 0.54 1.03 -0.60 0.00 0.00 0.00 174.94 176.08 3sak s ARG 15 N 1.28 3.93 0.00 2.79 3.00 -1.26 -4.78 118.95 123.92 3sak s ARG 15 Ca 0.05 1.38 0.00 0.00 -1.00 0.00 0.00 55.73 56.16 3sak s ARG 15 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 34.95 32.60 3sak s ARG 15 CO -0.13 -0.32 0.00 0.41 0.00 0.00 0.00 175.30 175.26 3sak n GLY 16 N -0.13 -3.12 0.26 8.12 0.00 -1.26 -4.53 105.19 104.53 3sak n GLY 16 Ca 0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 0.91 -0.59 1.61 1.12 -2.00 -2.47 114.38 112.96 3sak h ARG 17 Ca 0.00 -0.44 0.00 0.00 -1.11 0.00 0.00 59.98 58.44 3sak h ARG 17 Cb 0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 3sak h ARG 17 CO 0.00 1.09 0.38 0.93 -3.11 0.00 0.00 179.97 179.26 3sak h GLU 18 N 0.73 0.79 -0.99 0.20 5.08 -1.99 -1.81 114.58 116.59 3sak h GLU 18 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3sak h GLU 18 Cb 0.87 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 3sak h GLU 18 CO 0.08 0.54 0.63 -0.09 -1.00 0.00 0.00 179.01 179.17 3sak h ARG 19 N 0.80 1.31 -0.31 2.33 2.43 -1.77 -1.68 114.38 117.49 3sak h ARG 19 Ca 0.21 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3sak h ARG 19 Cb -0.06 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.17 3sak h ARG 19 CO -0.04 0.89 0.16 0.35 -1.51 0.00 0.00 179.97 179.81 3sak h PHE 20 N 1.35 0.30 -1.01 2.20 3.57 -0.87 0.13 116.94 122.60 3sak h PHE 20 Ca 0.36 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3sak h PHE 20 Cb -0.12 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 3sak h PHE 20 CO 0.00 0.17 0.67 0.93 -2.23 0.00 0.00 178.31 177.84 3sak h GLU 21 N 0.33 1.31 0.07 1.11 5.08 -0.82 0.40 114.58 122.07 3sak h GLU 21 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3sak h GLU 21 Cb 0.03 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3sak h GLU 21 CO -0.08 0.87 -0.03 1.98 -1.00 0.00 0.00 179.01 180.74 3sak h MET 22 N 1.35 -0.09 -0.76 2.33 4.05 -0.38 0.58 114.93 122.00 3sak h MET 22 Ca 0.37 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 3sak h MET 22 Cb -0.14 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 3sak h MET 22 CO -0.09 0.06 0.34 0.74 0.23 0.00 0.00 176.91 178.20 3sak h PHE 23 N -0.23 1.12 -0.90 1.39 -1.00 -0.32 -1.89 116.94 115.11 3sak h PHE 23 Ca -0.01 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.72 3sak h PHE 23 Cb 0.19 -0.34 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 3sak h PHE 23 CO -0.03 0.83 0.60 -0.09 -1.61 0.00 0.00 178.31 178.01 3sak h ARG 24 N 1.08 1.17 -0.01 1.51 2.43 0.05 0.27 114.38 120.89 3sak h ARG 24 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3sak h ARG 24 Cb 0.15 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3sak h ARG 24 CO -0.03 0.78 0.01 1.49 -1.51 0.00 0.00 179.97 180.70 3sak h GLU 25 N 1.21 0.01 -0.64 0.20 4.81 -0.18 0.33 114.58 120.32 3sak h GLU 25 Ca 0.34 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3sak h GLU 25 Cb -0.11 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3sak h GLU 25 CO -0.08 0.01 0.30 -0.07 -0.73 0.00 0.00 179.01 178.44 3sak h LEU 26 N 0.01 0.84 -0.00 1.64 3.38 -0.81 0.27 115.31 120.63 3sak h LEU 26 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3sak h LEU 26 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3sak h LEU 26 CO -0.00 0.74 0.00 -1.13 0.09 0.00 0.00 178.44 178.14 3sak h ASN 27 N 0.88 0.00 -0.88 -0.43 -0.73 0.01 -1.16 115.58 113.26 3sak h ASN 27 Ca 0.22 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 3sak h ASN 27 Cb 0.13 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 3sak h ASN 27 CO -0.03 0.00 0.46 -0.33 -0.37 0.00 0.00 177.43 177.17 3sak h GLU 28 N -0.00 1.25 -0.54 6.67 5.08 -0.10 -1.43 114.58 125.52 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 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3sak h GLU 28 CO -0.00 0.93 0.35 0.00 -1.00 0.00 0.00 179.01 179.29 3sak h ALA 29 N 1.25 0.68 -0.75 3.43 0.00 -0.53 0.10 119.26 123.45 3sak h ALA 29 Ca 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3sak h ALA 29 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3sak h ALA 29 CO -0.05 0.10 0.31 -0.07 0.00 0.00 0.00 179.25 179.54 3sak h LEU 30 N 0.71 1.02 -0.26 0.00 3.38 -0.75 0.31 115.31 119.72 3sak h LEU 30 Ca 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3sak h LEU 30 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3sak h LEU 30 CO -0.05 0.91 0.17 -0.33 0.09 0.00 0.00 178.44 179.22 3sak h GLU 31 N 1.07 0.34 -0.03 1.13 5.08 -0.45 0.92 114.58 122.64 3sak h GLU 31 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3sak h GLU 31 Cb 0.20 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3sak h GLU 31 CO -0.02 0.22 0.02 1.25 -1.00 0.00 0.00 179.01 179.48 3sak h LEU 32 N 0.35 0.04 -0.82 1.33 5.85 -0.63 -0.41 115.31 121.01 3sak h LEU 32 Ca 0.10 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3sak h LEU 32 Cb -0.04 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3sak h LEU 32 CO -0.02 0.03 0.54 0.50 -0.34 0.00 0.00 178.44 179.15 3sak h LYS 33 N 0.04 1.09 -0.99 1.25 3.64 -0.51 -2.15 116.57 118.93 3sak h LYS 33 Ca 0.01 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3sak h LYS 33 Cb -0.00 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 3sak h LYS 33 CO -0.00 0.73 0.65 -0.44 -2.27 0.00 0.00 179.45 178.11 3sak h ASP 34 N 1.12 1.15 -0.60 4.20 3.32 0.15 -0.25 116.42 125.51 3sak h ASP 34 Ca 0.30 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3sak h ASP 34 Cb -0.12 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.11 3sak h ASP 34 CO -0.06 0.84 0.39 0.00 -1.72 0.00 0.00 179.24 178.70 3sak h ALA 35 N 1.36 0.77 -0.28 3.45 0.00 -0.42 0.23 119.26 124.35 3sak h ALA 35 Ca 0.36 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 3sak h ALA 35 Cb -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3sak h ALA 35 CO -0.08 0.21 -0.57 1.96 0.00 0.00 0.00 179.25 180.78 3sak h GLN 36 N 0.82 0.88 0.00 0.00 4.20 -1.25 -2.58 115.11 117.17 3sak h GLN 36 Ca 0.22 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3sak h GLN 36 Cb -0.08 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3sak h GLN 36 CO -0.05 1.20 0.00 0.00 -0.67 0.00 0.00 178.83 179.32 3sak n ALA 37 N -2.57 1.97 1.51 3.87 0.00 -0.14 -2.48 120.51 122.67 3sak n ALA 37 Ca -0.05 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.45 3sak n ALA 37 Cb 0.64 -1.31 0.77 0.00 0.00 0.00 0.00 19.45 19.55 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 0.38 -1.13 3.70 0.00 0.00 0.75 -4.75 105.19 104.14 3sak n GLY 38 Ca 0.08 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.39 4.40 0.15 1.61 1.02 -1.03 -4.97 119.74 118.53 3sak s LYS 39 Ca 0.33 0.93 -0.24 0.00 0.02 0.00 0.00 55.97 57.01 3sak s LYS 39 Cb 0.20 -3.49 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 3sak s LYS 39 CO 0.41 -0.05 1.61 0.93 -0.92 0.00 0.00 175.35 177.33 3sak h GLU 40 N 6.94 -0.29 -7.01 1.68 3.07 -1.91 -3.40 114.58 113.65 3sak h GLU 40 Ca -0.38 0.02 -0.55 0.00 -0.50 0.00 0.00 59.36 57.95 3sak h GLU 40 Cb 1.18 0.07 0.13 0.00 -0.84 0.00 0.00 28.75 29.29 3sak h GLU 40 CO 0.77 -0.19 0.68 -0.35 -1.40 0.00 0.00 179.01 178.52 3sak n PRO 41 N -5.40 2.06 0.00 2.33 -0.04 -1.26 -5.18 135.00 127.50 3sak n PRO 41 Ca -0.01 0.74 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 3sak n PRO 41 Cb 0.32 -2.63 0.78 0.00 -0.04 0.00 0.00 33.50 31.93 3sak n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87