#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 6.05 0.07 1.61 0.01 -1.26 -4.85 113.70 115.32 1u85 s SER 2 Ca 0.00 1.29 0.26 0.00 1.31 0.00 0.00 55.95 58.81 1u85 s SER 2 Cb 0.00 -2.53 0.69 0.00 0.21 0.00 0.00 66.02 64.39 1u85 s SER 2 CO 0.00 -1.59 1.57 0.35 0.41 0.00 0.00 173.24 173.98 1u85 n THR 3 N 7.21 0.19 0.00 1.44 -2.24 -1.26 -4.23 114.28 115.38 1u85 n THR 3 Ca 0.21 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1u85 n THR 3 Cb 0.47 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1u85 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u85 n GLY 4 N 1.42 0.22 3.55 3.38 0.00 -1.26 -4.83 105.19 107.67 1u85 n GLY 4 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 4.43 0.53 -0.61 -1.09 -1.26 -4.83 121.20 118.36 1u85 s ILE 5 Ca 0.00 0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.88 1u85 s ILE 5 Cb 0.00 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1u85 s ILE 5 CO 0.00 -0.96 0.88 -0.54 -1.23 0.00 0.00 174.94 173.09 1u85 s LYS 6 N 3.85 3.58 0.60 2.79 3.01 -1.26 -4.66 119.74 127.66 1u85 s LYS 6 Ca 0.34 0.43 0.34 0.00 -1.01 0.00 0.00 55.97 56.07 1u85 s LYS 6 Cb -0.11 -2.26 1.95 0.00 -1.01 0.00 0.00 37.83 36.39 1u85 s LYS 6 CO 0.23 -0.33 2.27 -1.00 0.51 0.00 0.00 175.35 177.03 1u85 h PRO 7 N 0.09 0.00 -4.63 -1.68 0.13 -1.86 -3.34 132.00 120.70 1u85 h PRO 7 Ca -0.46 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 1u85 h PRO 7 Cb 1.20 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 1u85 h PRO 7 CO 0.62 0.01 -0.61 -0.06 -0.23 0.00 0.00 178.00 177.73 1u85 s PHE 8 N -4.44 3.36 -0.02 1.56 0.08 -1.08 -5.05 117.98 112.39 1u85 s PHE 8 Ca -0.05 -1.87 0.06 0.00 0.12 0.00 0.00 56.93 55.20 1u85 s PHE 8 Cb 0.14 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 1u85 s PHE 8 CO 0.51 -0.84 -0.21 -1.14 -0.10 0.00 0.00 175.22 173.45 1u85 s GLN 9 N 1.28 1.75 -0.12 0.44 2.00 -1.26 -0.11 119.66 123.63 1u85 s GLN 9 Ca 0.00 -0.75 -0.26 0.00 -2.00 0.00 0.00 55.36 52.36 1u85 s GLN 9 Cb -0.21 -1.66 -0.02 0.00 0.80 0.00 0.00 33.01 31.92 1u85 s GLN 9 CO -0.01 0.44 0.83 0.00 -0.50 0.00 0.00 175.29 176.05 1u85 n PRO 11 N 4.73 1.10 -0.10 0.00 -0.04 -1.26 -1.66 135.00 137.76 1u85 n PRO 11 Ca 0.04 -0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 1u85 n PRO 11 Cb 0.50 -1.50 -0.06 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 -0.77 1.88 -0.07 3.54 2.03 -1.26 -4.66 116.55 117.23 1u85 n ASP 12 Ca 0.22 0.32 0.10 0.00 0.52 0.00 0.00 54.79 55.96 1u85 n ASP 12 Cb 0.17 -0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 39.77 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 -1.29 -3.41 -4.78 0.00 -0.08 -0.67 -5.00 116.55 101.33 1u85 n ASP 14 Ca 0.05 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.99 1u85 n ASP 14 Cb 0.35 -2.63 0.00 0.00 2.34 0.00 0.00 41.12 41.18 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 -2.50 2.79 -0.06 -0.67 0.52 -1.22 -4.74 118.94 113.06 1u85 s TRP 15 Ca 0.00 1.55 0.02 0.00 0.02 0.00 0.00 56.10 57.69 1u85 s TRP 15 Cb 0.00 -3.17 0.01 0.00 -1.15 0.00 0.00 33.47 29.16 1u85 s TRP 15 CO 0.00 -1.35 -0.12 -1.12 0.02 0.00 0.00 176.95 174.38 1u85 s SER 16 N -2.12 1.73 -0.03 2.95 0.01 -1.26 0.34 113.70 115.32 1u85 s SER 16 Ca 0.69 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1u85 s SER 16 Cb -0.20 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.29 1u85 s SER 16 CO 0.29 0.04 -0.08 -0.36 0.41 0.00 0.00 173.24 173.54 1u85 s PHE 17 N 0.57 0.93 -1.06 2.43 0.40 0.84 -4.87 117.98 117.22 1u85 s PHE 17 Ca -0.13 -0.24 0.28 0.00 -0.60 0.00 0.00 56.93 56.24 1u85 s PHE 17 Cb -0.15 -0.68 0.98 0.00 0.51 0.00 0.00 43.02 43.68 1u85 s PHE 17 CO 0.03 -0.12 1.74 0.43 0.70 0.00 0.00 175.22 178.01 1u85 n SER 18 N 3.41 0.22 -4.35 1.36 7.64 -1.26 -2.64 113.62 118.00 1u85 n SER 18 Ca -0.19 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.50 1u85 n SER 18 Cb 0.54 -0.19 -0.15 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.95 3.15 0.20 1.43 0.52 -1.26 -4.89 118.95 115.14 1u85 s ARG 19 Ca 0.14 -0.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 1u85 s ARG 19 Cb 0.19 -2.50 0.13 0.00 0.52 0.00 0.00 34.95 33.29 1u85 s ARG 19 CO 0.58 0.27 1.85 0.66 0.02 0.00 0.00 175.30 178.69 1u85 h SER 20 N 6.48 0.82 -0.01 0.23 4.64 -1.97 -1.00 113.55 122.75 1u85 h SER 20 Ca -0.27 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1u85 h SER 20 Cb 1.21 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1u85 h SER 20 CO 0.53 0.61 -0.14 -0.78 -0.87 0.00 0.00 176.83 176.18 1u85 h ASP 21 N 0.94 0.29 -0.28 4.97 3.58 -1.98 0.39 116.42 124.34 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 -0.07 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1u85 h ASP 21 CO -0.05 0.46 -0.54 0.45 -2.88 0.00 0.00 179.24 176.68 1u85 h HIS 22 N 0.28 1.09 -0.42 0.28 3.86 -1.73 0.90 115.15 119.42 1u85 h HIS 22 Ca 0.06 -0.39 -0.06 0.00 -1.16 0.00 0.00 60.37 58.82 1u85 h HIS 22 Cb 0.43 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1u85 h HIS 22 CO 0.01 1.22 0.02 1.25 0.86 0.00 0.00 177.93 181.28 1u85 h LEU 23 N 0.67 0.72 -1.29 2.43 5.85 -0.76 -1.84 115.31 121.09 1u85 h LEU 23 Ca 0.02 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1u85 h LEU 23 Cb 1.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1u85 h LEU 23 CO 0.12 0.83 0.17 0.00 -0.34 0.00 0.00 178.44 179.23 1u85 h ALA 24 N 0.91 1.44 0.00 1.25 0.00 -0.81 0.51 119.26 122.56 1u85 h ALA 24 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1u85 h ALA 24 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u85 h ALA 24 CO 0.02 0.43 -0.18 -0.07 0.00 0.00 0.00 179.25 179.45 1u85 h LEU 25 N 0.66 0.00 0.11 0.00 3.38 -0.36 0.13 115.31 119.22 1u85 h LEU 25 Ca 0.16 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.77 1u85 h LEU 25 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1u85 h LEU 25 CO -0.01 0.18 -1.95 1.57 0.09 0.00 0.00 178.44 178.31 1u85 n HIS 26 N -3.75 1.24 1.35 1.13 -0.00 -0.04 -4.17 115.22 110.98 1u85 n HIS 26 Ca -0.02 0.28 0.14 0.00 0.46 0.00 0.00 57.72 58.58 1u85 n HIS 26 Cb 0.29 -1.17 0.48 0.00 -0.12 0.00 0.00 29.99 29.46 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 -3.42 0.96 0.08 1.57 1.74 0.16 -3.73 116.66 114.02 1u85 n ARG 27 Ca -0.30 -0.51 -0.03 0.00 -0.77 0.00 0.00 57.85 56.25 1u85 n ARG 27 Cb 1.05 -1.49 0.20 0.00 -1.02 0.00 0.00 32.46 31.20 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 1.23 0.29 0.00 5.56 2.10 -0.91 -1.18 116.57 123.66 1u85 h LYS 28 Ca 0.00 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1u85 h LYS 28 Cb 0.45 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1u85 h LYS 28 CO 0.00 0.66 0.00 0.07 -2.00 0.00 0.00 179.45 178.18 1u85 h ARG 29 N 0.24 0.00 0.00 0.07 -0.00 -1.79 -2.30 114.38 110.60 1u85 h ARG 29 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 1u85 h ARG 29 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.80 1u85 h ARG 29 CO 0.07 0.00 0.00 0.72 -0.00 0.00 0.00 179.97 180.76 1u85 n HIS 30 N -2.80 0.45 1.81 4.08 8.25 -0.48 -2.19 115.22 124.34 1u85 n HIS 30 Ca 0.04 0.14 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 1u85 n HIS 30 Cb 0.43 -0.73 0.58 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.88 1.19 -3.44 -0.41 2.81 -0.87 -4.90 117.12 109.63 1u85 n MET 31 Ca 0.05 -0.29 -0.18 0.00 -1.81 0.00 0.00 57.70 55.48 1u85 n MET 31 Cb 0.34 -1.36 0.09 0.00 -0.71 0.00 0.00 33.22 31.57 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 -0.54 -3.94 -0.33 4.03 4.77 -0.93 -5.13 117.00 114.94 1u85 n LEU 32 Ca 0.17 -0.60 0.04 0.00 -0.03 0.00 0.00 56.01 55.58 1u85 n LEU 32 Cb 0.15 -3.10 0.03 0.00 -2.33 0.00 0.00 43.42 38.17 1u85 n LEU 32 CO 0.13 0.41 0.38 0.52 -1.33 0.00 0.00 177.39 177.50