#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 7.29 0.31 1.61 0.01 -1.26 -5.01 113.70 116.65 1u85 s SER 2 Ca 0.00 1.88 -0.27 0.00 1.31 0.00 0.00 55.95 58.87 1u85 s SER 2 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1u85 s SER 2 CO 0.00 -0.27 0.97 -0.89 0.41 0.00 0.00 173.24 173.46 1u85 s THR 3 N 0.54 4.06 -0.42 1.44 2.01 -1.26 -5.02 115.64 116.98 1u85 s THR 3 Ca 0.52 1.80 0.05 0.00 0.31 0.00 0.00 61.69 64.37 1u85 s THR 3 Cb -0.26 -4.04 0.18 0.00 0.01 0.00 0.00 72.50 68.39 1u85 s THR 3 CO 0.30 0.23 0.41 0.61 -0.69 0.00 0.00 174.62 175.48 1u85 n GLY 4 N 0.80 1.89 3.76 4.40 0.00 -1.26 -5.12 105.19 109.66 1u85 n GLY 4 Ca 0.01 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1u85 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u85 s ILE 5 N -0.00 2.23 0.24 -0.61 1.09 -1.26 -4.77 121.20 118.11 1u85 s ILE 5 Ca 0.33 0.21 0.09 0.00 -1.10 0.00 0.00 60.65 60.18 1u85 s ILE 5 Cb 0.06 -3.14 -0.05 0.00 -1.06 0.00 0.00 42.46 38.27 1u85 s ILE 5 CO -0.17 0.04 -0.16 -0.54 -0.10 0.00 0.00 174.94 174.01 1u85 s LYS 6 N -1.35 1.47 0.59 2.79 -0.14 -1.26 -5.02 119.74 116.82 1u85 s LYS 6 Ca 0.56 -1.67 0.32 0.00 -1.36 0.00 0.00 55.97 53.83 1u85 s LYS 6 Cb -0.45 -1.36 1.75 0.00 -1.68 0.00 0.00 37.83 36.09 1u85 s LYS 6 CO 0.55 0.23 1.98 -1.00 -0.76 0.00 0.00 175.35 176.34 1u85 h PRO 7 N 2.43 0.00 -4.28 -1.68 0.13 -1.90 -3.35 132.00 123.35 1u85 h PRO 7 Ca -0.39 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 1u85 h PRO 7 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 1u85 h PRO 7 CO 0.62 0.00 -0.81 -0.06 -0.23 0.00 0.00 178.00 177.52 1u85 s PHE 8 N -3.97 1.59 -0.02 1.56 0.40 -0.94 -5.06 117.98 111.55 1u85 s PHE 8 Ca -0.04 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1u85 s PHE 8 Cb 0.09 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1u85 s PHE 8 CO 0.29 -0.54 -0.06 -0.65 0.70 0.00 0.00 175.22 174.97 1u85 s GLN 9 N 1.67 0.60 0.06 0.44 -1.52 -1.26 -0.17 119.66 119.49 1u85 s GLN 9 Ca 0.05 -0.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1u85 s GLN 9 Cb -0.13 -0.60 -0.05 0.00 -0.22 0.00 0.00 33.01 32.01 1u85 s GLN 9 CO -0.09 0.06 1.05 0.00 -0.25 0.00 0.00 175.29 176.07 1u85 n PRO 11 N 3.50 1.28 -0.12 0.00 -0.04 -1.26 -1.96 135.00 136.41 1u85 n PRO 11 Ca 0.06 -0.64 -0.20 0.00 -0.04 0.00 0.00 63.50 62.68 1u85 n PRO 11 Cb 0.49 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.30 1.94 0.00 3.54 2.03 -1.26 -4.63 116.55 117.88 1u85 n ASP 12 Ca 0.18 0.35 0.10 0.00 0.52 0.00 0.00 54.79 55.94 1u85 n ASP 12 Cb 0.31 -0.79 -0.09 0.00 -0.72 0.00 0.00 41.12 39.82 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 -1.73 -3.37 -4.75 0.00 2.03 -0.83 -4.99 116.55 102.92 1u85 n ASP 14 Ca 0.02 -0.07 -0.41 0.00 0.52 0.00 0.00 54.79 54.85 1u85 n ASP 14 Cb 0.40 -2.45 -0.04 0.00 -0.72 0.00 0.00 41.12 38.31 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 -2.65 3.49 -0.10 -0.67 0.52 -1.22 -4.73 118.94 113.57 1u85 s TRP 15 Ca 0.07 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.77 1u85 s TRP 15 Cb -0.03 -3.37 -0.02 0.00 -1.15 0.00 0.00 33.47 28.90 1u85 s TRP 15 CO 0.09 -0.90 -0.15 -1.12 0.02 0.00 0.00 176.95 174.89 1u85 s SER 16 N -0.35 3.88 -0.02 2.95 0.01 -1.26 0.76 113.70 119.67 1u85 s SER 16 Ca 0.49 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1u85 s SER 16 Cb -0.32 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1u85 s SER 16 CO 0.39 0.23 -0.07 -0.36 0.41 0.00 0.00 173.24 173.84 1u85 s PHE 17 N -0.02 0.68 -1.12 2.43 0.40 0.76 -4.94 117.98 116.17 1u85 s PHE 17 Ca -0.04 -0.15 0.27 0.00 -0.60 0.00 0.00 56.93 56.42 1u85 s PHE 17 Cb -0.14 -0.48 0.96 0.00 0.51 0.00 0.00 43.02 43.86 1u85 s PHE 17 CO 0.04 -0.06 1.72 -1.13 0.70 0.00 0.00 175.22 176.50 1u85 n SER 18 N 3.18 0.28 -4.21 1.36 3.41 -1.26 -2.21 113.62 114.17 1u85 n SER 18 Ca -0.16 0.01 -0.30 0.00 -0.26 0.00 0.00 58.87 58.17 1u85 n SER 18 Cb 0.56 -0.14 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.90 2.39 0.19 4.33 1.81 -1.26 -4.86 118.95 118.65 1u85 s ARG 19 Ca 0.16 -0.79 -0.12 0.00 -1.72 0.00 0.00 55.73 53.26 1u85 s ARG 19 Cb 0.19 -1.98 0.11 0.00 -0.45 0.00 0.00 34.95 32.82 1u85 s ARG 19 CO 0.58 0.28 1.85 0.66 -0.68 0.00 0.00 175.30 178.00 1u85 h SER 20 N 6.30 0.75 -0.67 0.23 4.64 -1.97 -1.80 113.55 121.03 1u85 h SER 20 Ca -0.29 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1u85 h SER 20 Cb 1.19 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1u85 h SER 20 CO 0.47 0.56 0.41 -0.78 -0.87 0.00 0.00 176.83 176.62 1u85 h ASP 21 N 0.88 0.82 -0.39 4.97 3.58 -1.98 0.14 116.42 124.44 1u85 h ASP 21 Ca 0.24 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.56 1u85 h ASP 21 Cb -0.08 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 1u85 h ASP 21 CO -0.05 0.63 -0.07 0.45 -2.88 0.00 0.00 179.24 177.32 1u85 h HIS 22 N 0.94 0.83 -0.34 0.28 3.86 -1.82 0.26 115.15 119.17 1u85 h HIS 22 Ca 0.25 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1u85 h HIS 22 Cb -0.03 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1u85 h HIS 22 CO 0.00 0.87 0.11 1.25 0.86 0.00 0.00 177.93 181.02 1u85 h LEU 23 N 0.56 0.49 -1.19 2.43 5.85 -0.77 -1.53 115.31 121.15 1u85 h LEU 23 Ca 0.10 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1u85 h LEU 23 Cb 0.58 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1u85 h LEU 23 CO 0.03 0.56 0.10 0.00 -0.34 0.00 0.00 178.44 178.79 1u85 h ALA 24 N 0.95 1.35 0.00 1.25 0.00 -0.55 0.46 119.26 122.72 1u85 h ALA 24 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u85 h ALA 24 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u85 h ALA 24 CO -0.00 0.47 -0.26 1.25 0.00 0.00 0.00 179.25 180.70 1u85 h LEU 25 N 0.65 0.00 0.09 0.00 5.85 -0.12 -2.42 115.31 119.35 1u85 h LEU 25 Ca 0.15 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.59 1u85 h LEU 25 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1u85 h LEU 25 CO -0.00 0.26 -1.46 -0.74 -0.34 0.00 0.00 178.44 176.16 1u85 h HIS 26 N 0.00 0.34 0.00 1.25 2.76 -0.24 -3.35 115.15 115.91 1u85 h HIS 26 Ca -0.00 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1u85 h HIS 26 Cb 0.69 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1u85 h HIS 26 CO 0.00 1.57 0.00 0.54 -1.30 0.00 0.00 177.93 178.74 1u85 n ARG 27 N -3.97 0.86 0.13 5.26 1.74 0.15 -3.17 116.66 117.67 1u85 n ARG 27 Ca -0.28 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.82 1u85 n ARG 27 Cb 0.87 -1.18 0.34 0.00 -1.02 0.00 0.00 32.46 31.48 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 0.00 0.17 -0.68 5.56 2.10 -1.58 -1.13 116.57 121.02 1u85 h LYS 28 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1u85 h LYS 28 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1u85 h LYS 28 CO 0.00 0.43 0.00 2.89 -2.00 0.00 0.00 179.45 180.77 1u85 n ARG 29 N -4.17 2.93 -0.03 0.07 1.85 -1.19 -3.58 116.66 112.54 1u85 n ARG 29 Ca -0.01 -1.74 0.02 0.00 -1.00 0.00 0.00 57.85 55.12 1u85 n ARG 29 Cb 0.35 -1.79 0.04 0.00 -1.05 0.00 0.00 32.46 30.01 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 0.46 0.05 0.04 2.89 8.25 -0.43 -4.60 115.22 121.89 1u85 n HIS 30 Ca 0.16 -0.58 -0.02 0.00 -0.26 0.00 0.00 57.72 57.01 1u85 n HIS 30 Cb 0.68 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.65 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 0.19 0.00 -5.71 -0.41 2.86 -1.61 -3.48 114.93 106.77 1u85 h MET 31 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 1u85 h MET 31 Cb 0.61 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.42 1u85 h MET 31 CO 0.00 0.47 -0.70 1.28 1.06 0.00 0.00 176.91 179.02 1u85 n LEU 32 N -3.05 -3.62 0.00 1.22 4.77 -1.26 -5.19 117.00 109.86 1u85 n LEU 32 Ca -0.08 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1u85 n LEU 32 Cb 0.88 -3.03 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 1u85 n LEU 32 CO 0.43 0.55 0.13 0.55 -1.33 0.00 0.00 177.39 177.72