#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 1.46 -0.41 1.61 0.01 -1.26 -5.11 113.70 110.00 1u85 s SER 2 Ca 0.00 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 1u85 s SER 2 Cb 0.00 -0.53 0.02 0.00 0.21 0.00 0.00 66.02 65.71 1u85 s SER 2 CO 0.00 0.05 0.46 0.42 0.41 0.00 0.00 173.24 174.58 1u85 s THR 3 N 0.42 5.06 -0.13 1.44 -4.23 -1.26 -4.95 115.64 112.00 1u85 s THR 3 Ca -0.08 -0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 59.98 1u85 s THR 3 Cb -0.12 -4.03 -0.22 0.00 1.34 0.00 0.00 72.50 69.47 1u85 s THR 3 CO 0.02 -0.39 0.71 1.23 -0.54 0.00 0.00 174.62 175.64 1u85 h GLY 4 N 9.10 -0.01 -7.57 3.99 0.00 -1.99 -3.42 103.07 103.17 1u85 h GLY 4 Ca -0.27 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.36 1u85 h GLY 4 CO 0.79 -0.00 -0.50 -0.42 0.00 0.00 0.00 176.54 176.41 1u85 s ILE 5 N -2.29 4.70 0.27 2.60 -1.09 -1.26 -4.70 121.20 119.43 1u85 s ILE 5 Ca -0.16 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1u85 s ILE 5 Cb -0.02 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1u85 s ILE 5 CO 0.60 -0.22 0.37 -0.54 -1.23 0.00 0.00 174.94 173.92 1u85 s LYS 6 N 1.58 3.26 0.21 2.79 3.01 -1.26 -4.98 119.74 124.36 1u85 s LYS 6 Ca 0.03 -0.89 0.14 0.00 -1.01 0.00 0.00 55.97 54.24 1u85 s LYS 6 Cb -0.19 -2.81 0.77 0.00 -1.01 0.00 0.00 37.83 34.59 1u85 s LYS 6 CO 0.07 0.32 1.43 -0.35 0.51 0.00 0.00 175.35 177.33 1u85 n PRO 7 N -1.44 0.09 -3.89 -1.68 -0.04 -1.26 -4.10 135.00 122.69 1u85 n PRO 7 Ca -0.06 0.59 -0.29 0.00 -0.04 0.00 0.00 63.50 63.70 1u85 n PRO 7 Cb 0.58 -1.82 -0.16 0.00 -0.04 0.00 0.00 33.50 32.06 1u85 n PRO 7 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1u85 s PHE 8 N -3.35 1.79 -0.01 0.54 0.08 -1.06 -5.06 117.98 110.90 1u85 s PHE 8 Ca -0.02 -1.20 0.05 0.00 0.12 0.00 0.00 56.93 55.89 1u85 s PHE 8 Cb 0.04 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1u85 s PHE 8 CO 0.13 -0.65 -0.16 -1.14 -0.10 0.00 0.00 175.22 173.30 1u85 s GLN 9 N 1.60 1.27 -0.09 0.44 2.00 -1.26 -0.15 119.66 123.47 1u85 s GLN 9 Ca -0.01 -0.56 -0.26 0.00 -2.00 0.00 0.00 55.36 52.53 1u85 s GLN 9 Cb -0.16 -1.23 -0.03 0.00 0.80 0.00 0.00 33.01 32.39 1u85 s GLN 9 CO -0.07 0.34 0.82 0.00 -0.50 0.00 0.00 175.29 175.88 1u85 n PRO 11 N 4.42 1.75 -0.09 0.00 -0.04 -1.26 -2.04 135.00 137.73 1u85 n PRO 11 Ca 0.03 -1.14 -0.16 0.00 -0.04 0.00 0.00 63.50 62.19 1u85 n PRO 11 Cb 0.50 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.38 1.96 -0.11 3.54 2.03 -1.26 -4.71 116.55 118.38 1u85 n ASP 12 Ca 0.14 0.07 0.05 0.00 0.52 0.00 0.00 54.79 55.58 1u85 n ASP 12 Cb 0.31 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.79 -4.07 -4.86 0.00 2.03 -0.87 -5.02 116.55 102.97 1u85 n ASP 14 Ca 0.03 -0.23 -0.31 0.00 0.52 0.00 0.00 54.79 54.79 1u85 n ASP 14 Cb 0.19 -2.72 -0.04 0.00 -0.72 0.00 0.00 41.12 37.83 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 -3.08 3.43 -0.03 -0.67 0.52 -1.20 -4.83 118.94 113.08 1u85 s TRP 15 Ca 0.25 1.24 0.02 0.00 0.02 0.00 0.00 56.10 57.63 1u85 s TRP 15 Cb -0.11 -2.59 0.01 0.00 -1.15 0.00 0.00 33.47 29.63 1u85 s TRP 15 CO 0.31 -0.14 -0.06 -1.12 0.02 0.00 0.00 176.95 175.96 1u85 s SER 16 N -2.88 1.01 -0.01 2.95 0.01 -1.26 0.47 113.70 113.99 1u85 s SER 16 Ca 0.55 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1u85 s SER 16 Cb -0.10 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.74 1u85 s SER 16 CO 0.27 0.00 -0.07 -0.36 0.41 0.00 0.00 173.24 173.50 1u85 s PHE 17 N 0.55 0.64 -1.31 2.43 0.40 0.79 -4.91 117.98 116.56 1u85 s PHE 17 Ca -0.08 -0.13 0.28 0.00 -0.60 0.00 0.00 56.93 56.41 1u85 s PHE 17 Cb -0.11 -0.43 1.09 0.00 0.51 0.00 0.00 43.02 44.07 1u85 s PHE 17 CO 0.00 -0.03 1.79 0.43 0.70 0.00 0.00 175.22 178.12 1u85 n SER 18 N 3.02 0.32 -4.16 1.36 7.64 -1.26 -2.56 113.62 117.99 1u85 n SER 18 Ca -0.14 -0.18 -0.29 0.00 1.01 0.00 0.00 58.87 59.27 1u85 n SER 18 Cb 0.57 -0.13 -0.17 0.00 -1.01 0.00 0.00 64.21 63.47 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 -2.74 2.56 0.35 1.43 0.52 -1.26 -4.89 118.95 114.91 1u85 s ARG 19 Ca 0.21 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 1u85 s ARG 19 Cb 0.19 -1.98 0.64 0.00 0.52 0.00 0.00 34.95 34.32 1u85 s ARG 19 CO 0.54 0.14 1.94 0.66 0.02 0.00 0.00 175.30 178.60 1u85 h SER 20 N 6.75 0.58 0.04 0.23 4.64 -1.97 -0.72 113.55 123.11 1u85 h SER 20 Ca -0.24 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 1u85 h SER 20 Cb 1.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1u85 h SER 20 CO 0.47 0.53 -0.18 -0.78 -0.87 0.00 0.00 176.83 176.00 1u85 h ASP 21 N 0.64 0.25 -0.01 4.97 3.58 -1.98 0.34 116.42 124.21 1u85 h ASP 21 Ca 0.16 -0.06 -0.25 0.00 0.42 0.00 0.00 57.03 57.29 1u85 h ASP 21 Cb 0.13 -0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.13 1u85 h ASP 21 CO -0.02 0.45 -0.95 0.45 -2.88 0.00 0.00 179.24 176.29 1u85 h HIS 22 N 0.24 1.02 -0.27 0.28 3.86 -1.63 -0.96 115.15 117.70 1u85 h HIS 22 Ca 0.05 -0.52 -0.04 0.00 -1.16 0.00 0.00 60.37 58.70 1u85 h HIS 22 Cb 0.46 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1u85 h HIS 22 CO 0.01 1.35 0.02 1.25 0.86 0.00 0.00 177.93 181.42 1u85 h LEU 23 N 0.43 0.44 -1.59 2.43 5.85 -0.72 -0.90 115.31 121.25 1u85 h LEU 23 Ca -0.10 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1u85 h LEU 23 Cb 1.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1u85 h LEU 23 CO 0.19 0.62 -0.11 0.00 -0.34 0.00 0.00 178.44 178.79 1u85 h ALA 24 N 0.84 1.66 -0.35 1.25 0.00 -0.35 0.56 119.26 122.89 1u85 h ALA 24 Ca 0.08 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1u85 h ALA 24 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1u85 h ALA 24 CO 0.01 0.25 -0.42 -0.07 0.00 0.00 0.00 179.25 179.02 1u85 h LEU 25 N 0.12 0.97 -0.18 0.00 3.38 -0.82 -2.40 115.31 116.37 1u85 h LEU 25 Ca 0.03 -0.49 -0.23 0.00 0.09 0.00 0.00 57.88 57.28 1u85 h LEU 25 Cb 0.28 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1u85 h LEU 25 CO 0.02 1.26 -0.88 -0.74 0.09 0.00 0.00 178.44 178.19 1u85 h HIS 26 N 0.70 0.81 -0.20 1.13 2.76 -0.32 -3.20 115.15 116.83 1u85 h HIS 26 Ca 0.05 -0.40 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1u85 h HIS 26 Cb 1.01 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1u85 h HIS 26 CO 0.07 1.21 0.00 0.54 -1.30 0.00 0.00 177.93 178.45 1u85 n ARG 27 N -3.84 1.54 0.19 5.26 1.74 0.19 -3.66 116.66 118.08 1u85 n ARG 27 Ca -0.07 -0.75 0.04 0.00 -0.77 0.00 0.00 57.85 56.29 1u85 n ARG 27 Cb 0.79 -1.22 0.38 0.00 -1.02 0.00 0.00 32.46 31.39 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 1.18 0.00 -0.68 5.56 2.10 -1.42 -0.55 116.57 122.76 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 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1u85 h LYS 28 CO 0.02 0.37 0.00 2.89 -2.00 0.00 0.00 179.45 180.72 1u85 n ARG 29 N -3.93 3.45 -1.17 0.07 1.85 -1.24 -3.76 116.66 111.92 1u85 n ARG 29 Ca -0.02 -2.10 -0.02 0.00 -1.00 0.00 0.00 57.85 54.71 1u85 n ARG 29 Cb 0.42 -1.93 0.13 0.00 -1.05 0.00 0.00 32.46 30.04 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 0.51 0.78 0.04 2.89 8.25 -0.21 -4.75 115.22 122.72 1u85 n HIS 30 Ca 0.19 -1.61 -0.20 0.00 -0.26 0.00 0.00 57.72 55.83 1u85 n HIS 30 Cb 0.83 -0.26 -0.14 0.00 1.12 0.00 0.00 29.99 31.53 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 1.38 0.29 -1.69 -0.41 2.86 -1.65 -3.31 114.93 112.41 1u85 h MET 31 Ca 0.06 -0.50 -0.67 0.00 -2.06 0.00 0.00 59.70 56.54 1u85 h MET 31 Cb 1.25 0.18 -0.25 0.00 0.06 0.00 0.00 31.60 32.84 1u85 h MET 31 CO 0.22 1.24 0.86 1.28 1.06 0.00 0.00 176.91 181.56 1u85 n LEU 32 N -4.07 7.34 -0.59 1.22 4.77 -1.26 -5.19 117.00 119.22 1u85 n LEU 32 Ca -0.17 -4.45 0.07 0.00 -0.03 0.00 0.00 56.01 51.44 1u85 n LEU 32 Cb 0.85 -1.07 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1u85 n LEU 32 CO 0.47 1.63 0.48 0.55 -1.33 0.00 0.00 177.39 179.19