#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 6.41 0.18 1.61 0.01 -1.26 -5.07 113.70 115.58 1u85 s SER 2 Ca 0.00 0.59 -0.30 0.00 1.31 0.00 0.00 55.95 57.55 1u85 s SER 2 Cb 0.00 -2.09 -0.08 0.00 0.21 0.00 0.00 66.02 64.06 1u85 s SER 2 CO 0.00 -0.16 0.95 -0.89 0.41 0.00 0.00 173.24 173.55 1u85 s THR 3 N -2.05 4.26 -0.12 1.44 2.01 -1.26 -4.98 115.64 114.94 1u85 s THR 3 Ca 0.42 2.07 -0.28 0.00 0.31 0.00 0.00 61.69 64.20 1u85 s THR 3 Cb -0.11 -4.32 -0.26 0.00 0.01 0.00 0.00 72.50 67.83 1u85 s THR 3 CO 0.30 0.41 0.83 1.23 -0.69 0.00 0.00 174.62 176.70 1u85 h GLY 4 N 4.82 0.04 -4.85 4.40 0.00 -2.03 -3.44 103.07 102.01 1u85 h GLY 4 Ca -0.44 -0.09 -0.59 0.00 0.00 0.00 0.00 47.33 46.21 1u85 h GLY 4 CO 0.70 0.08 -0.11 -0.42 0.00 0.00 0.00 176.54 176.78 1u85 s ILE 5 N -2.43 4.89 0.28 2.60 -1.09 -1.26 -4.87 121.20 119.33 1u85 s ILE 5 Ca -0.18 1.04 0.11 0.00 -2.23 0.00 0.00 60.65 59.38 1u85 s ILE 5 Cb -0.02 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1u85 s ILE 5 CO 0.70 0.55 -0.10 -0.54 -1.23 0.00 0.00 174.94 174.32 1u85 s LYS 6 N -0.99 1.98 0.64 2.79 1.02 -1.26 -5.02 119.74 118.90 1u85 s LYS 6 Ca 0.27 -1.60 0.41 0.00 0.02 0.00 0.00 55.97 55.06 1u85 s LYS 6 Cb -0.18 -1.96 2.21 0.00 -0.52 0.00 0.00 37.83 37.38 1u85 s LYS 6 CO 0.16 0.34 2.31 -1.00 -0.92 0.00 0.00 175.35 176.24 1u85 h PRO 7 N 2.07 0.00 -4.28 -1.68 0.13 -1.91 -3.33 132.00 123.00 1u85 h PRO 7 Ca -0.42 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.02 1u85 h PRO 7 Cb 1.25 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 1u85 h PRO 7 CO 0.60 0.01 -0.54 -0.06 -0.23 0.00 0.00 178.00 177.78 1u85 s PHE 8 N -4.18 3.56 0.01 1.56 0.08 -0.95 -5.04 117.98 113.02 1u85 s PHE 8 Ca -0.04 -2.61 0.06 0.00 0.12 0.00 0.00 56.93 54.46 1u85 s PHE 8 Cb 0.13 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 1u85 s PHE 8 CO 0.45 -0.93 -0.16 -0.65 -0.10 0.00 0.00 175.22 173.83 1u85 s GLN 9 N 0.79 2.26 -0.12 0.44 -0.21 -1.25 0.40 119.66 121.97 1u85 s GLN 9 Ca 0.11 -0.86 -0.24 0.00 0.02 0.00 0.00 55.36 54.38 1u85 s GLN 9 Cb -0.22 -2.27 -0.02 0.00 1.00 0.00 0.00 33.01 31.49 1u85 s GLN 9 CO -0.04 0.57 0.77 0.00 -2.12 0.00 0.00 175.29 174.47 1u85 n PRO 11 N 4.60 0.62 -0.12 0.00 -0.04 -1.26 -1.46 135.00 137.34 1u85 n PRO 11 Ca 0.02 -0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1u85 n PRO 11 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.03 1.89 -0.00 3.54 2.03 -1.26 -4.59 116.55 117.12 1u85 n ASP 12 Ca 0.14 0.40 0.07 0.00 0.52 0.00 0.00 54.79 55.92 1u85 n ASP 12 Cb 0.27 -0.91 -0.09 0.00 -0.72 0.00 0.00 41.12 39.68 1u85 n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u85 n ASP 14 N -1.41 -3.16 -4.83 0.00 -0.08 -0.53 -5.03 116.55 101.51 1u85 n ASP 14 Ca 0.02 -0.07 -0.32 0.00 -1.51 0.00 0.00 54.79 52.91 1u85 n ASP 14 Cb 0.24 -2.24 -0.02 0.00 2.34 0.00 0.00 41.12 41.45 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 -2.63 3.28 -0.05 -0.67 0.52 -1.21 -4.79 118.94 113.38 1u85 s TRP 15 Ca 0.07 1.48 0.02 0.00 0.02 0.00 0.00 56.10 57.69 1u85 s TRP 15 Cb -0.03 -2.88 0.02 0.00 -1.15 0.00 0.00 33.47 29.43 1u85 s TRP 15 CO 0.09 -0.66 -0.09 -1.12 0.02 0.00 0.00 176.95 175.18 1u85 s SER 16 N -2.97 1.45 -0.01 2.95 0.01 -1.26 0.03 113.70 113.89 1u85 s SER 16 Ca 0.61 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.67 1u85 s SER 16 Cb -0.12 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.44 1u85 s SER 16 CO 0.34 0.01 -0.12 -0.36 0.41 0.00 0.00 173.24 173.51 1u85 s PHE 17 N 0.70 1.10 -1.04 2.43 0.40 0.16 -4.87 117.98 116.87 1u85 s PHE 17 Ca -0.13 -0.21 0.26 0.00 -0.60 0.00 0.00 56.93 56.26 1u85 s PHE 17 Cb -0.15 -0.71 0.78 0.00 0.51 0.00 0.00 43.02 43.45 1u85 s PHE 17 CO 0.02 -0.02 1.60 -1.13 0.70 0.00 0.00 175.22 176.39 1u85 n SER 18 N 2.79 0.35 -4.23 1.36 3.41 -1.26 -2.23 113.62 113.81 1u85 n SER 18 Ca -0.14 -0.03 -0.31 0.00 -0.26 0.00 0.00 58.87 58.13 1u85 n SER 18 Cb 0.56 -0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1u85 n SER 18 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u85 s ARG 19 N -2.97 2.51 0.19 4.33 1.81 -1.26 -4.88 118.95 118.68 1u85 s ARG 19 Ca 0.13 -0.84 -0.11 0.00 -1.72 0.00 0.00 55.73 53.19 1u85 s ARG 19 Cb 0.18 -2.07 0.16 0.00 -0.45 0.00 0.00 34.95 32.77 1u85 s ARG 19 CO 0.63 0.31 1.83 0.66 -0.68 0.00 0.00 175.30 178.05 1u85 h SER 20 N 6.25 0.60 -0.05 0.23 4.64 -1.96 -0.71 113.55 122.56 1u85 h SER 20 Ca -0.29 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1u85 h SER 20 Cb 1.19 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1u85 h SER 20 CO 0.47 0.42 -0.12 -0.78 -0.87 0.00 0.00 176.83 175.95 1u85 h ASP 21 N 0.73 0.32 -0.16 4.97 3.58 -1.98 0.12 116.42 124.00 1u85 h ASP 21 Ca 0.25 -0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.45 1u85 h ASP 21 Cb 0.04 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.01 1u85 h ASP 21 CO -0.11 0.48 -0.60 0.45 -2.88 0.00 0.00 179.24 176.58 1u85 h HIS 22 N 0.32 0.92 -0.56 0.28 3.86 -1.77 -0.52 115.15 117.68 1u85 h HIS 22 Ca 0.06 -0.38 -0.03 0.00 -1.16 0.00 0.00 60.37 58.86 1u85 h HIS 22 Cb 0.41 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1u85 h HIS 22 CO 0.01 1.19 0.24 1.25 0.86 0.00 0.00 177.93 181.47 1u85 h LEU 23 N 0.39 0.75 -1.23 2.43 5.85 -0.76 -1.72 115.31 121.02 1u85 h LEU 23 Ca -0.03 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1u85 h LEU 23 Cb 1.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1u85 h LEU 23 CO 0.13 0.70 0.11 0.00 -0.34 0.00 0.00 178.44 179.04 1u85 h ALA 24 N 1.08 1.39 0.00 1.25 0.00 -0.70 0.43 119.26 122.71 1u85 h ALA 24 Ca 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1u85 h ALA 24 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u85 h ALA 24 CO -0.02 0.45 -0.12 1.25 0.00 0.00 0.00 179.25 180.80 1u85 h LEU 25 N 0.63 0.00 0.06 0.00 5.85 -0.44 -0.90 115.31 120.50 1u85 h LEU 25 Ca 0.14 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.52 1u85 h LEU 25 Cb 0.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1u85 h LEU 25 CO -0.00 0.12 -1.99 1.57 -0.34 0.00 0.00 178.44 177.80 1u85 n HIS 26 N -3.38 0.92 1.41 1.25 -0.00 -0.27 -4.25 115.22 110.90 1u85 n HIS 26 Ca -0.01 0.25 0.13 0.00 0.46 0.00 0.00 57.72 58.55 1u85 n HIS 26 Cb 0.31 -1.14 0.47 0.00 -0.12 0.00 0.00 29.99 29.52 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 -3.24 1.71 0.14 1.57 1.74 0.14 -3.85 116.66 114.86 1u85 n ARG 27 Ca -0.29 -1.04 -0.01 0.00 -0.77 0.00 0.00 57.85 55.74 1u85 n ARG 27 Cb 1.05 -1.46 0.20 0.00 -1.02 0.00 0.00 32.46 31.23 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 2.42 0.04 0.00 5.56 2.10 -1.34 -1.59 116.57 123.76 1u85 h LYS 28 Ca 0.00 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1u85 h LYS 28 Cb 0.52 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1u85 h LYS 28 CO 0.00 0.59 -0.27 0.07 -2.00 0.00 0.00 179.45 177.84 1u85 h ARG 29 N 0.03 0.00 0.00 0.07 0.11 -1.83 -1.74 114.38 111.02 1u85 h ARG 29 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1u85 h ARG 29 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 1u85 h ARG 29 CO 0.08 0.27 0.00 0.72 0.10 0.00 0.00 179.97 181.14 1u85 n HIS 30 N -3.53 0.70 1.42 4.08 8.25 -0.64 -1.59 115.22 123.91 1u85 n HIS 30 Ca -0.00 0.21 0.13 0.00 -0.26 0.00 0.00 57.72 57.80 1u85 n HIS 30 Cb 0.42 -0.84 0.48 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.08 1.71 -3.58 -0.41 2.81 -0.66 -4.93 117.12 109.99 1u85 n MET 31 Ca 0.05 -1.04 -0.23 0.00 -1.81 0.00 0.00 57.70 54.68 1u85 n MET 31 Cb 0.38 -1.47 0.08 0.00 -0.71 0.00 0.00 33.22 31.51 1u85 n MET 31 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u85 n LEU 32 N 0.26 -3.50 -0.92 4.03 4.77 -0.62 -5.10 117.00 115.92 1u85 n LEU 32 Ca 0.18 -0.56 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 1u85 n LEU 32 Cb 0.36 -3.04 0.13 0.00 -2.33 0.00 0.00 43.42 38.54 1u85 n LEU 32 CO 0.16 0.60 0.65 0.55 -1.33 0.00 0.00 177.39 178.02