#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u85 s SER 2 N 0.00 6.36 0.00 1.61 0.01 -1.26 -4.86 113.70 115.56 1u85 s SER 2 Ca 0.00 -0.25 0.19 0.00 1.31 0.00 0.00 55.95 57.20 1u85 s SER 2 Cb 0.00 -2.36 0.18 0.00 0.21 0.00 0.00 66.02 64.05 1u85 s SER 2 CO 0.00 -0.88 1.14 0.41 0.41 0.00 0.00 173.24 174.32 1u85 n THR 3 N 6.01 0.06 -0.01 1.44 -1.04 -1.26 -4.56 114.28 114.93 1u85 n THR 3 Ca 0.00 -0.53 -0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1u85 n THR 3 Cb 0.48 1.35 -0.00 0.00 -1.82 0.00 0.00 70.33 70.34 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 3.80 -0.00 -5.23 3.41 0.00 -2.02 -3.44 103.07 99.60 1u85 h GLY 4 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1u85 h GLY 4 CO 0.00 -0.00 0.41 -0.42 0.00 0.00 0.00 176.54 176.53 1u85 s ILE 5 N -1.13 4.87 0.25 2.60 -1.09 -1.26 -4.82 121.20 120.62 1u85 s ILE 5 Ca -0.00 1.71 0.08 0.00 -2.23 0.00 0.00 60.65 60.21 1u85 s ILE 5 Cb 0.00 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1u85 s ILE 5 CO 0.00 0.03 0.09 -0.54 -1.23 0.00 0.00 174.94 173.29 1u85 s LYS 6 N 2.06 2.59 0.55 2.79 3.01 -1.26 -4.91 119.74 124.57 1u85 s LYS 6 Ca 0.40 -1.23 0.24 0.00 -1.01 0.00 0.00 55.97 54.37 1u85 s LYS 6 Cb -0.17 -2.36 1.50 0.00 -1.01 0.00 0.00 37.83 35.79 1u85 s LYS 6 CO 0.14 0.39 2.12 -1.00 0.51 0.00 0.00 175.35 177.50 1u85 h PRO 7 N 1.76 0.00 -4.52 -1.68 0.13 -1.91 -3.33 132.00 122.45 1u85 h PRO 7 Ca -0.46 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 1u85 h PRO 7 Cb 1.24 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 1u85 h PRO 7 CO 0.60 0.00 -0.54 -0.06 -0.23 0.00 0.00 178.00 177.77 1u85 s PHE 8 N -4.86 3.41 -0.05 1.56 0.08 -1.03 -5.05 117.98 112.04 1u85 s PHE 8 Ca -0.05 -1.89 0.05 0.00 0.12 0.00 0.00 56.93 55.16 1u85 s PHE 8 Cb 0.17 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 1u85 s PHE 8 CO 0.63 -0.88 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.01 1u85 s GLN 9 N 1.30 2.12 0.05 0.44 -1.52 -1.25 -0.14 119.66 120.65 1u85 s GLN 9 Ca 0.03 -0.75 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 1u85 s GLN 9 Cb -0.22 -1.83 -0.04 0.00 -0.22 0.00 0.00 33.01 30.69 1u85 s GLN 9 CO -0.01 0.32 0.99 0.00 -0.25 0.00 0.00 175.29 176.34 1u85 n PRO 11 N 3.44 1.80 -0.12 0.00 -0.04 -1.26 -2.11 135.00 136.71 1u85 n PRO 11 Ca 0.05 -1.17 -0.20 0.00 -0.04 0.00 0.00 63.50 62.14 1u85 n PRO 11 Cb 0.50 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.41 2.04 -0.06 3.54 -0.08 -1.26 -4.67 116.55 116.46 1u85 n ASP 12 Ca 0.18 -0.01 0.01 0.00 -1.51 0.00 0.00 54.79 53.46 1u85 n ASP 12 Cb 0.38 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.36 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 -0.35 -4.40 -4.82 0.00 -0.08 -0.90 -5.00 116.55 101.00 1u85 n ASP 14 Ca 0.01 -0.21 -0.33 0.00 -1.51 0.00 0.00 54.79 52.75 1u85 n ASP 14 Cb 0.05 -3.21 -0.07 0.00 2.34 0.00 0.00 41.12 40.24 1u85 n ASP 14 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1u85 s TRP 15 N -2.98 3.35 -0.06 -0.67 0.52 -1.21 -4.80 118.94 113.09 1u85 s TRP 15 Ca 0.22 1.59 0.03 0.00 0.02 0.00 0.00 56.10 57.96 1u85 s TRP 15 Cb -0.10 -2.83 0.01 0.00 -1.15 0.00 0.00 33.47 29.40 1u85 s TRP 15 CO 0.28 -0.06 -0.13 -1.12 0.02 0.00 0.00 176.95 175.94 1u85 s SER 16 N -2.13 1.80 -0.02 2.95 0.01 -1.26 0.46 113.70 115.51 1u85 s SER 16 Ca 0.60 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.57 1u85 s SER 16 Cb -0.10 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.35 1u85 s SER 16 CO 0.14 0.05 -0.05 -0.36 0.41 0.00 0.00 173.24 173.44 1u85 s PHE 17 N 0.56 0.57 -0.77 2.43 0.40 0.80 -4.91 117.98 117.05 1u85 s PHE 17 Ca -0.13 -0.12 0.26 0.00 -0.60 0.00 0.00 56.93 56.34 1u85 s PHE 17 Cb -0.15 -0.44 0.73 0.00 0.51 0.00 0.00 43.02 43.67 1u85 s PHE 17 CO 0.03 -0.07 1.65 0.43 0.70 0.00 0.00 175.22 177.96 1u85 n SER 18 N 3.39 0.63 -4.31 1.36 7.64 -1.26 -2.47 113.62 118.59 1u85 n SER 18 Ca -0.18 0.37 -0.32 0.00 1.01 0.00 0.00 58.87 59.75 1u85 n SER 18 Cb 0.55 -0.40 -0.16 0.00 -1.01 0.00 0.00 64.21 63.19 1u85 n SER 18 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1u85 s ARG 19 N -3.09 2.72 0.23 1.43 0.52 -1.26 -4.86 118.95 114.64 1u85 s ARG 19 Ca 0.10 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1u85 s ARG 19 Cb 0.14 -2.28 0.22 0.00 0.52 0.00 0.00 34.95 33.56 1u85 s ARG 19 CO 0.63 0.37 1.81 0.66 0.02 0.00 0.00 175.30 178.79 1u85 h SER 20 N 6.12 1.06 -0.20 0.23 4.64 -1.97 -1.76 113.55 121.67 1u85 h SER 20 Ca -0.32 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1u85 h SER 20 Cb 1.18 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1u85 h SER 20 CO 0.49 0.92 -0.06 -0.78 -0.87 0.00 0.00 176.83 176.53 1u85 h ASP 21 N 1.14 0.51 -0.39 4.97 3.58 -1.98 -0.26 116.42 123.98 1u85 h ASP 21 Ca 0.27 -0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 1u85 h ASP 21 Cb 0.17 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1u85 h ASP 21 CO -0.03 0.62 -0.11 0.45 -2.88 0.00 0.00 179.24 177.29 1u85 h HIS 22 N 0.50 0.86 -0.52 0.28 3.86 -1.80 0.92 115.15 119.26 1u85 h HIS 22 Ca 0.10 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1u85 h HIS 22 Cb 0.41 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1u85 h HIS 22 CO 0.01 0.91 0.15 1.25 0.86 0.00 0.00 177.93 181.11 1u85 h LEU 23 N 0.57 0.77 -1.26 2.43 5.85 -0.98 -2.27 115.31 120.43 1u85 h LEU 23 Ca 0.10 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1u85 h LEU 23 Cb 0.63 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1u85 h LEU 23 CO 0.04 0.78 -0.05 0.00 -0.34 0.00 0.00 178.44 178.87 1u85 h ALA 24 N 1.02 1.39 0.00 1.25 0.00 -0.84 0.61 119.26 122.69 1u85 h ALA 24 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u85 h ALA 24 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u85 h ALA 24 CO -0.00 0.42 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 1u85 h LEU 25 N 0.42 0.00 0.03 0.00 4.07 -0.35 -1.30 115.31 118.18 1u85 h LEU 25 Ca 0.09 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.67 1u85 h LEU 25 Cb 0.36 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 1u85 h LEU 25 CO 0.02 0.00 -2.21 1.57 -1.08 0.00 0.00 178.44 176.73 1u85 n HIS 26 N -2.85 0.47 1.75 1.13 -0.00 -0.37 -4.32 115.22 111.04 1u85 n HIS 26 Ca 0.01 0.13 0.01 0.00 0.46 0.00 0.00 57.72 58.33 1u85 n HIS 26 Cb 0.28 -1.06 0.04 0.00 -0.12 0.00 0.00 29.99 29.14 1u85 n HIS 26 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1u85 n ARG 27 N -3.67 1.18 0.20 1.57 1.74 0.20 -3.48 116.66 114.40 1u85 n ARG 27 Ca -0.42 -0.28 0.05 0.00 -0.77 0.00 0.00 57.85 56.43 1u85 n ARG 27 Cb 0.95 -1.07 0.48 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.45 0.04 -0.64 5.56 2.10 -1.43 0.02 116.57 122.68 1u85 h LYS 28 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1u85 h LYS 28 Cb 0.10 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1u85 h LYS 28 CO 0.00 0.22 0.00 2.89 -2.00 0.00 0.00 179.45 180.56 1u85 n ARG 29 N -4.31 3.72 -0.33 0.07 -4.01 -1.23 -3.93 116.66 106.64 1u85 n ARG 29 Ca -0.02 -2.54 0.08 0.00 -1.04 0.00 0.00 57.85 54.33 1u85 n ARG 29 Cb 0.25 -1.94 0.20 0.00 -3.04 0.00 0.00 32.46 27.92 1u85 n ARG 29 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1u85 n HIS 30 N 0.79 0.46 -0.82 2.89 8.25 -0.01 -4.60 115.22 122.18 1u85 n HIS 30 Ca 0.23 -1.06 0.08 0.00 -0.26 0.00 0.00 57.72 56.71 1u85 n HIS 30 Cb 0.89 -0.25 0.26 0.00 1.12 0.00 0.00 29.99 32.00 1u85 n HIS 30 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1u85 n MET 31 N -1.04 3.11 -2.82 -0.41 2.81 -1.24 -4.93 117.12 112.60 1u85 n MET 31 Ca 0.20 -2.73 -0.17 0.00 -1.81 0.00 0.00 57.70 53.19 1u85 n MET 31 Cb 0.78 -1.78 0.03 0.00 -0.71 0.00 0.00 33.22 31.54 1u85 n MET 31 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1u85 n LEU 32 N -0.16 -2.40 0.00 4.03 7.94 -1.26 -5.18 117.00 119.97 1u85 n LEU 32 Ca 0.20 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1u85 n LEU 32 Cb 0.83 -2.36 0.00 0.00 0.53 0.00 0.00 43.42 42.43 1u85 n LEU 32 CO 0.16 0.17 0.14 0.52 -1.11 0.00 0.00 177.39 177.27