#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 5.98 0.74 1.61 0.01 -1.26 -5.04 113.70 115.75 1u85 s SER 2 Ca 0.00 2.21 -0.08 0.00 1.31 0.00 0.00 55.95 59.39 1u85 s SER 2 Cb 0.00 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.71 1u85 s SER 2 CO 0.00 -1.04 1.07 -0.89 0.41 0.00 0.00 173.24 172.79 1u85 s THR 3 N -1.69 2.18 -0.58 1.44 2.01 -1.26 -4.95 115.64 112.80 1u85 s THR 3 Ca 0.68 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 1u85 s THR 3 Cb -0.25 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1u85 s THR 3 CO 0.30 0.00 2.96 0.61 -0.69 0.00 0.00 174.62 177.79 1u85 n GLY 4 N -3.06 4.12 3.67 4.40 0.00 -1.26 -4.94 105.19 108.12 1u85 n GLY 4 Ca 0.08 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.80 3.80 0.24 -0.61 -1.09 -1.26 -4.83 121.20 116.65 1u85 s ILE 5 Ca 0.61 1.06 0.06 0.00 -2.23 0.00 0.00 60.65 60.15 1u85 s ILE 5 Cb 0.32 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1u85 s ILE 5 CO -0.13 -0.06 0.30 -0.54 -1.23 0.00 0.00 174.94 173.29 1u85 s LYS 6 N 3.27 3.27 0.61 2.79 1.02 -1.26 -4.99 119.74 124.45 1u85 s LYS 6 Ca 0.65 -0.86 0.31 0.00 0.02 0.00 0.00 55.97 56.09 1u85 s LYS 6 Cb -0.30 -2.78 1.70 0.00 -0.52 0.00 0.00 37.83 35.93 1u85 s LYS 6 CO 0.25 0.42 2.05 -1.00 -0.92 0.00 0.00 175.35 176.15 1u85 h PRO 7 N 1.28 0.00 -4.65 -1.68 0.13 -1.91 -3.32 132.00 121.86 1u85 h PRO 7 Ca -0.51 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 1u85 h PRO 7 Cb 1.23 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 1u85 h PRO 7 CO 0.61 0.00 -0.68 -0.06 -0.23 0.00 0.00 178.00 177.64 1u85 s PHE 8 N -4.46 3.68 0.03 1.56 0.08 -0.92 -5.04 117.98 112.91 1u85 s PHE 8 Ca -0.04 -2.78 0.09 0.00 0.12 0.00 0.00 56.93 54.31 1u85 s PHE 8 Cb 0.14 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1u85 s PHE 8 CO 0.47 -0.95 -0.25 -1.14 -0.10 0.00 0.00 175.22 173.25 1u85 s GLN 9 N 0.98 1.79 -0.07 0.44 0.74 -1.25 0.90 119.66 123.20 1u85 s GLN 9 Ca 0.09 -1.03 -0.28 0.00 0.05 0.00 0.00 55.36 54.18 1u85 s GLN 9 Cb -0.20 -1.91 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 1u85 s GLN 9 CO -0.07 0.50 0.94 0.00 -0.55 0.00 0.00 175.29 176.11 1u85 n PRO 11 N 4.48 1.17 -0.04 0.00 -0.04 -1.26 -2.21 135.00 137.10 1u85 n PRO 11 Ca 0.06 -0.26 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 1u85 n PRO 11 Cb 0.50 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.39 1.10 -0.49 3.54 -0.08 -1.26 -4.79 116.55 114.18 1u85 n ASP 12 Ca 0.08 0.18 0.08 0.00 -1.51 0.00 0.00 54.79 53.61 1u85 n ASP 12 Cb 0.09 -0.42 0.03 0.00 2.34 0.00 0.00 41.12 43.16 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 0.34 -4.24 -4.77 0.00 -0.08 -0.94 -4.98 116.55 101.88 1u85 n ASP 14 Ca 0.08 0.03 -0.38 0.00 -1.51 0.00 0.00 54.79 53.01 1u85 n ASP 14 Cb 0.37 -3.35 -0.03 0.00 2.34 0.00 0.00 41.12 40.45 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 -2.65 3.20 -0.08 -0.67 0.52 -1.24 -4.77 118.94 113.25 1u85 s TRP 15 Ca 0.00 1.60 0.01 0.00 0.02 0.00 0.00 56.10 57.74 1u85 s TRP 15 Cb 0.00 -3.29 0.02 0.00 -1.15 0.00 0.00 33.47 29.05 1u85 s TRP 15 CO 0.00 -0.99 -0.10 -1.12 0.02 0.00 0.00 176.95 174.76 1u85 s SER 16 N -1.25 1.77 -0.01 2.95 0.01 -1.26 0.77 113.70 116.68 1u85 s SER 16 Ca 0.56 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.60 1u85 s SER 16 Cb -0.28 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.17 1u85 s SER 16 CO 0.35 -0.03 -0.17 -0.36 0.41 0.00 0.00 173.24 173.44 1u85 s PHE 17 N 1.02 1.54 -0.97 2.43 0.40 0.26 -4.86 117.98 117.80 1u85 s PHE 17 Ca -0.08 -0.30 0.27 0.00 -0.60 0.00 0.00 56.93 56.22 1u85 s PHE 17 Cb -0.15 -0.99 0.90 0.00 0.51 0.00 0.00 43.02 43.30 1u85 s PHE 17 CO -0.00 -0.02 1.70 0.43 0.70 0.00 0.00 175.22 178.03 1u85 n SER 18 N 2.60 0.26 -4.25 1.36 7.64 -1.26 -2.16 113.62 117.81 1u85 n SER 18 Ca -0.15 0.21 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 1u85 n SER 18 Cb 0.54 -0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.01 2.47 0.21 1.43 0.52 -1.26 -4.87 118.95 114.44 1u85 s ARG 19 Ca 0.12 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1u85 s ARG 19 Cb 0.18 -2.09 0.17 0.00 0.52 0.00 0.00 34.95 33.73 1u85 s ARG 19 CO 0.61 0.36 1.85 0.66 0.02 0.00 0.00 175.30 178.79 1u85 h SER 20 N 6.11 0.96 -0.40 0.23 4.64 -1.96 -1.25 113.55 121.89 1u85 h SER 20 Ca -0.31 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.88 1u85 h SER 20 Cb 1.18 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1u85 h SER 20 CO 0.47 0.75 0.08 -0.78 -0.87 0.00 0.00 176.83 176.49 1u85 h ASP 21 N 1.09 0.69 -0.49 4.97 3.58 -1.98 0.04 116.42 124.32 1u85 h ASP 21 Ca 0.28 -0.13 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1u85 h ASP 21 Cb -0.02 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1u85 h ASP 21 CO -0.05 0.70 -0.19 0.45 -2.88 0.00 0.00 179.24 177.28 1u85 h HIS 22 N 0.71 1.13 -0.37 0.28 3.86 -1.79 0.27 115.15 119.24 1u85 h HIS 22 Ca 0.15 -0.27 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 1u85 h HIS 22 Cb 0.31 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1u85 h HIS 22 CO 0.02 1.09 0.08 1.25 0.86 0.00 0.00 177.93 181.22 1u85 h LEU 23 N 0.85 0.57 -1.28 2.43 5.85 -0.83 -1.69 115.31 121.21 1u85 h LEU 23 Ca 0.12 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1u85 h LEU 23 Cb 0.76 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1u85 h LEU 23 CO 0.06 0.67 -0.03 0.00 -0.34 0.00 0.00 178.44 178.80 1u85 h ALA 24 N 0.92 1.41 0.00 1.25 0.00 -0.78 0.44 119.26 122.51 1u85 h ALA 24 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1u85 h ALA 24 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u85 h ALA 24 CO 0.00 0.41 -0.28 1.25 0.00 0.00 0.00 179.25 180.64 1u85 h LEU 25 N 0.44 0.00 0.07 0.00 6.46 -0.04 -1.46 115.31 120.77 1u85 h LEU 25 Ca 0.09 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.62 1u85 h LEU 25 Cb 0.33 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1u85 h LEU 25 CO 0.01 0.28 -1.21 -0.74 -0.62 0.00 0.00 178.44 176.16 1u85 h HIS 26 N 0.00 0.25 0.00 1.25 2.76 -0.30 -3.35 115.15 115.75 1u85 h HIS 26 Ca -0.00 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1u85 h HIS 26 Cb 0.49 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1u85 h HIS 26 CO 0.00 1.47 0.00 0.54 -1.30 0.00 0.00 177.93 178.64 1u85 n ARG 27 N -4.14 0.87 0.19 5.26 1.74 0.14 -3.03 116.66 117.69 1u85 n ARG 27 Ca -0.26 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.85 1u85 n ARG 27 Cb 0.79 -1.37 0.39 0.00 -1.02 0.00 0.00 32.46 31.25 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 0.01 -0.00 5.56 2.10 -1.41 -0.55 116.57 122.28 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 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1u85 h LYS 28 CO 0.00 0.33 -0.03 2.89 -2.00 0.00 0.00 179.45 180.64 1u85 n ARG 29 N -4.15 0.82 -1.18 0.07 1.85 -1.17 -3.26 116.66 109.64 1u85 n ARG 29 Ca -0.02 -0.16 -0.22 0.00 -1.00 0.00 0.00 57.85 56.45 1u85 n ARG 29 Cb 0.37 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.46 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 -0.95 2.80 0.47 2.89 8.25 -0.22 -4.28 115.22 124.18 1u85 n HIS 30 Ca 0.18 -1.87 0.07 0.00 -0.26 0.00 0.00 57.72 55.84 1u85 n HIS 30 Cb 0.22 -0.90 0.07 0.00 1.12 0.00 0.00 29.99 30.50 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 -1.14 1.14 -2.88 -0.41 2.81 -1.20 -4.97 117.12 110.48 1u85 n MET 31 Ca 0.56 -1.42 -0.22 0.00 -1.81 0.00 0.00 57.70 54.81 1u85 n MET 31 Cb 1.54 -1.27 0.02 0.00 -0.71 0.00 0.00 33.22 32.80 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 0.77 -2.43 -0.00 4.03 7.94 -1.26 -5.18 117.00 120.86 1u85 n LEU 32 Ca 0.09 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1u85 n LEU 32 Cb 0.36 -2.92 0.00 0.00 0.53 0.00 0.00 43.42 41.39 1u85 n LEU 32 CO 0.09 0.12 0.25 0.55 -1.11 0.00 0.00 177.39 177.28