#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u85 h SER 2 N 0.00 0.30 -0.47 1.61 4.64 -2.08 -0.14 113.55 117.41 1u85 h SER 2 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1u85 h SER 2 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1u85 h SER 2 CO 0.00 0.27 0.00 0.41 -0.87 0.00 0.00 176.83 176.64 1u85 n THR 3 N -4.44 0.73 -0.04 2.95 -1.04 -1.26 -4.29 114.28 106.89 1u85 n THR 3 Ca 0.01 -0.87 -0.20 0.00 -2.04 0.00 0.00 64.05 60.95 1u85 n THR 3 Cb 0.12 0.74 -0.13 0.00 -1.82 0.00 0.00 70.33 69.24 1u85 n THR 3 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1u85 h GLY 4 N 3.73 0.14 -4.32 3.41 0.00 -1.49 -3.44 103.07 101.11 1u85 h GLY 4 Ca 0.00 -0.37 -0.53 0.00 0.00 0.00 0.00 47.33 46.43 1u85 h GLY 4 CO 0.00 0.32 0.41 -0.42 0.00 0.00 0.00 176.54 176.85 1u85 s ILE 5 N -2.38 4.57 0.26 2.60 -1.09 -0.99 -4.79 121.20 119.38 1u85 s ILE 5 Ca -0.21 1.93 0.12 0.00 -2.23 0.00 0.00 60.65 60.26 1u85 s ILE 5 Cb 0.03 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1u85 s ILE 5 CO 0.71 0.20 -0.20 -0.54 -1.23 0.00 0.00 174.94 173.88 1u85 s LYS 6 N 0.66 1.64 0.60 2.79 1.02 -1.26 -4.93 119.74 120.25 1u85 s LYS 6 Ca 0.52 -1.73 0.30 0.00 0.02 0.00 0.00 55.97 55.08 1u85 s LYS 6 Cb -0.24 -1.75 1.73 0.00 -0.52 0.00 0.00 37.83 37.05 1u85 s LYS 6 CO 0.29 0.33 2.11 -1.00 -0.92 0.00 0.00 175.35 176.17 1u85 h PRO 7 N 2.41 0.00 -4.09 -1.68 0.13 -1.90 -3.31 132.00 123.55 1u85 h PRO 7 Ca -0.41 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.02 1u85 h PRO 7 Cb 1.25 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.04 1u85 h PRO 7 CO 0.59 0.00 -0.45 -0.06 -0.23 0.00 0.00 178.00 177.84 1u85 s PHE 8 N -4.55 3.50 -0.08 1.56 0.08 -0.97 -5.03 117.98 112.49 1u85 s PHE 8 Ca -0.05 -2.49 0.01 0.00 0.12 0.00 0.00 56.93 54.52 1u85 s PHE 8 Cb 0.15 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1u85 s PHE 8 CO 0.51 -0.92 -0.08 -0.65 -0.10 0.00 0.00 175.22 173.98 1u85 s GLN 9 N 0.65 2.89 -0.13 0.44 -1.52 -1.25 0.22 119.66 120.96 1u85 s GLN 9 Ca 0.12 -0.58 -0.29 0.00 -1.95 0.00 0.00 55.36 52.65 1u85 s GLN 9 Cb -0.22 -2.60 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 1u85 s GLN 9 CO -0.04 0.56 1.04 0.00 -0.25 0.00 0.00 175.29 176.60 1u85 n PRO 11 N 5.31 1.07 -0.10 0.00 -0.04 -1.26 -1.60 135.00 138.37 1u85 n PRO 11 Ca 0.10 -0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 1u85 n PRO 11 Cb 0.48 -1.31 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1u85 n PRO 11 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u85 n ASP 12 N -0.69 1.68 -0.21 3.54 -0.08 -1.26 -4.75 116.55 114.77 1u85 n ASP 12 Ca 0.14 0.16 0.04 0.00 -1.51 0.00 0.00 54.79 53.63 1u85 n ASP 12 Cb 0.09 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1u85 n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u85 n ASP 14 N -0.25 -4.12 -4.85 0.00 2.03 -0.63 -5.01 116.55 103.72 1u85 n ASP 14 Ca 0.04 -0.18 -0.32 0.00 0.52 0.00 0.00 54.79 54.85 1u85 n ASP 14 Cb 0.19 -2.95 -0.05 0.00 -0.72 0.00 0.00 41.12 37.59 1u85 n ASP 14 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1u85 s TRP 15 N -2.93 3.39 -0.06 -0.67 0.52 -1.23 -4.82 118.94 113.15 1u85 s TRP 15 Ca 0.19 1.30 0.01 0.00 0.02 0.00 0.00 56.10 57.63 1u85 s TRP 15 Cb -0.08 -2.62 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1u85 s TRP 15 CO 0.24 -0.07 -0.08 -1.12 0.02 0.00 0.00 176.95 175.94 1u85 s SER 16 N -2.58 1.46 -0.00 2.95 0.01 -1.26 0.58 113.70 114.86 1u85 s SER 16 Ca 0.56 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.65 1u85 s SER 16 Cb -0.10 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 1u85 s SER 16 CO 0.22 -0.04 -0.14 -0.36 0.41 0.00 0.00 173.24 173.33 1u85 s PHE 17 N 0.98 1.28 -0.59 2.43 0.40 0.13 -4.83 117.98 117.78 1u85 s PHE 17 Ca -0.10 -0.26 0.25 0.00 -0.60 0.00 0.00 56.93 56.22 1u85 s PHE 17 Cb -0.15 -0.81 0.51 0.00 0.51 0.00 0.00 43.02 43.09 1u85 s PHE 17 CO 0.00 -0.01 1.57 0.77 0.70 0.00 0.00 175.22 178.25 1u85 h SER 18 N 5.62 0.00 -3.79 1.36 0.02 -1.94 -2.57 113.55 112.25 1u85 h SER 18 Ca -0.35 -0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 59.87 1u85 h SER 18 Cb 1.16 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.39 1u85 h SER 18 CO 0.48 0.02 -0.88 -0.13 -1.14 0.00 0.00 176.83 175.18 1u85 s ARG 19 N -3.17 2.72 0.23 3.45 0.52 -1.26 -4.86 118.95 116.59 1u85 s ARG 19 Ca 0.08 -0.89 -0.07 0.00 -0.52 0.00 0.00 55.73 54.33 1u85 s ARG 19 Cb 0.10 -2.22 0.29 0.00 0.52 0.00 0.00 34.95 33.64 1u85 s ARG 19 CO 0.66 0.32 1.84 0.66 0.02 0.00 0.00 175.30 178.80 1u85 h SER 20 N 6.26 0.74 0.11 0.23 4.64 -1.97 -0.95 113.55 122.61 1u85 h SER 20 Ca -0.28 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 1u85 h SER 20 Cb 1.20 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1u85 h SER 20 CO 0.47 0.48 -0.14 -2.24 -0.87 0.00 0.00 176.83 174.53 1u85 h ASP 21 N 0.87 0.06 -0.10 4.97 3.04 -1.98 0.17 116.42 123.45 1u85 h ASP 21 Ca 0.34 -0.01 -0.12 0.00 -3.24 0.00 0.00 57.03 54.00 1u85 h ASP 21 Cb 0.16 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 1u85 h ASP 21 CO -0.17 0.21 -0.40 0.45 -2.04 0.00 0.00 179.24 177.28 1u85 h HIS 22 N 0.06 0.61 -0.54 4.15 3.86 -1.63 -1.23 115.15 120.42 1u85 h HIS 22 Ca 0.01 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 1u85 h HIS 22 Cb 0.29 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1u85 h HIS 22 CO 0.00 1.01 0.24 1.25 0.86 0.00 0.00 177.93 181.29 1u85 h LEU 23 N 0.03 0.73 -1.33 2.43 5.85 -0.84 -1.50 115.31 120.68 1u85 h LEU 23 Ca -0.02 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1u85 h LEU 23 Cb 1.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1u85 h LEU 23 CO 0.08 0.67 0.03 0.00 -0.34 0.00 0.00 178.44 178.89 1u85 h ALA 24 N 1.09 1.46 0.00 1.25 0.00 -0.65 0.40 119.26 122.80 1u85 h ALA 24 Ca 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1u85 h ALA 24 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u85 h ALA 24 CO -0.02 0.39 -0.28 -0.07 0.00 0.00 0.00 179.25 179.27 1u85 h LEU 25 N 0.47 0.00 0.15 0.00 3.38 -0.60 -1.16 115.31 117.55 1u85 h LEU 25 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 1u85 h LEU 25 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1u85 h LEU 25 CO 0.00 0.28 -1.69 -0.74 0.09 0.00 0.00 178.44 176.38 1u85 h HIS 26 N 0.00 0.58 -0.09 1.13 2.76 -0.17 -3.35 115.15 116.02 1u85 h HIS 26 Ca -0.00 -0.43 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1u85 h HIS 26 Cb 0.74 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1u85 h HIS 26 CO 0.00 1.66 0.00 0.54 -1.30 0.00 0.00 177.93 178.83 1u85 n ARG 27 N -3.69 1.36 0.22 5.26 1.74 0.13 -3.40 116.66 118.27 1u85 n ARG 27 Ca -0.26 -0.54 0.07 0.00 -0.77 0.00 0.00 57.85 56.35 1u85 n ARG 27 Cb 1.01 -1.32 0.50 0.00 -1.02 0.00 0.00 32.46 31.64 1u85 n ARG 27 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1u85 h LYS 28 N 1.06 0.00 -0.73 5.56 2.10 -1.34 -0.35 116.57 122.87 1u85 h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1u85 h LYS 28 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1u85 h LYS 28 CO 0.00 0.26 0.00 2.89 -2.00 0.00 0.00 179.45 180.60 1u85 n ARG 29 N -3.85 3.39 -1.17 0.07 1.85 -1.22 -3.88 116.66 111.85 1u85 n ARG 29 Ca -0.02 -1.95 -0.05 0.00 -1.00 0.00 0.00 57.85 54.84 1u85 n ARG 29 Cb 0.35 -1.96 0.13 0.00 -1.05 0.00 0.00 32.46 29.93 1u85 n ARG 29 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1u85 n HIS 30 N 0.40 0.99 0.02 2.89 8.25 -0.14 -4.71 115.22 122.92 1u85 n HIS 30 Ca 0.17 -1.73 -0.10 0.00 -0.26 0.00 0.00 57.72 55.80 1u85 n HIS 30 Cb 0.83 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 31.52 1u85 n HIS 30 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1u85 h MET 31 N 1.44 0.06 -5.26 -0.41 2.86 -1.71 -3.41 114.93 108.51 1u85 h MET 31 Ca 0.12 -0.11 -0.68 0.00 -2.06 0.00 0.00 59.70 56.97 1u85 h MET 31 Cb 1.22 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 32.77 1u85 h MET 31 CO 0.27 0.79 1.26 -0.51 1.06 0.00 0.00 176.91 179.79 1u85 s LEU 32 N -6.48 4.61 0.00 1.22 2.01 -1.26 -5.21 118.68 113.56 1u85 s LEU 32 Ca -0.05 -2.23 0.00 0.00 0.01 0.00 0.00 54.13 51.86 1u85 s LEU 32 Cb 0.08 -2.45 0.00 0.00 0.01 0.00 0.00 46.19 43.83 1u85 s LEU 32 CO 0.83 -1.08 0.00 1.33 1.01 0.00 0.00 176.35 178.44