#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 6.51 -0.06 1.61 1.04 -1.26 -4.98 113.70 116.57 1u85 s SER 2 Ca 0.00 -1.56 0.02 0.00 0.48 0.00 0.00 55.95 54.89 1u85 s SER 2 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1u85 s SER 2 CO 0.00 -1.40 -0.09 -0.89 0.98 0.00 0.00 173.24 171.84 1u85 s THR 3 N 4.36 3.53 -0.13 2.02 2.01 -1.26 -5.04 115.64 121.14 1u85 s THR 3 Ca 0.41 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1u85 s THR 3 Cb -0.02 -2.44 -0.20 0.00 0.01 0.00 0.00 72.50 69.86 1u85 s THR 3 CO -0.08 0.58 0.61 1.23 -0.69 0.00 0.00 174.62 176.27 1u85 h GLY 4 N 5.22 -0.01 -5.46 4.40 0.00 -2.04 -3.44 103.07 101.75 1u85 h GLY 4 Ca -0.48 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.27 1u85 h GLY 4 CO 0.52 -0.00 0.14 -0.42 0.00 0.00 0.00 176.54 176.77 1u85 s ILE 5 N -2.13 5.02 0.25 2.60 -1.09 -1.26 -4.84 121.20 119.75 1u85 s ILE 5 Ca -0.15 1.35 0.06 0.00 -2.23 0.00 0.00 60.65 59.68 1u85 s ILE 5 Cb -0.02 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1u85 s ILE 5 CO 0.53 0.17 0.32 -0.54 -1.23 0.00 0.00 174.94 174.19 1u85 s LYS 6 N 1.41 3.27 0.59 2.79 3.01 -1.26 -4.99 119.74 124.56 1u85 s LYS 6 Ca 0.34 -0.86 0.29 0.00 -1.01 0.00 0.00 55.97 54.72 1u85 s LYS 6 Cb -0.17 -2.79 1.70 0.00 -1.01 0.00 0.00 37.83 35.56 1u85 s LYS 6 CO 0.14 0.40 2.15 -1.00 0.51 0.00 0.00 175.35 177.54 1u85 h PRO 7 N 1.24 0.00 -4.95 -1.68 0.13 -1.92 -3.35 132.00 121.47 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 -0.36 0.00 0.13 0.00 0.00 31.00 32.01 1u85 h PRO 7 CO 0.60 0.00 -0.82 -0.06 -0.23 0.00 0.00 178.00 177.50 1u85 s PHE 8 N -4.65 3.05 -0.03 1.56 0.40 -1.07 -5.05 117.98 112.19 1u85 s PHE 8 Ca -0.05 -1.97 0.04 0.00 -0.60 0.00 0.00 56.93 54.36 1u85 s PHE 8 Cb 0.15 -1.94 -0.00 0.00 0.51 0.00 0.00 43.02 41.74 1u85 s PHE 8 CO 0.55 -0.83 -0.15 -0.65 0.70 0.00 0.00 175.22 174.84 1u85 s GLN 9 N 1.20 1.48 0.09 0.44 -1.52 -1.26 -0.29 119.66 119.80 1u85 s GLN 9 Ca -0.02 -0.53 -0.31 0.00 -1.95 0.00 0.00 55.36 52.55 1u85 s GLN 9 Cb -0.17 -1.33 -0.06 0.00 -0.22 0.00 0.00 33.01 31.23 1u85 s GLN 9 CO -0.08 0.24 1.24 0.00 -0.25 0.00 0.00 175.29 176.44 1u85 n PRO 11 N 3.73 1.47 -0.07 0.00 -0.04 -1.26 -2.16 135.00 136.67 1u85 n PRO 11 Ca 0.09 -0.71 -0.15 0.00 -0.04 0.00 0.00 63.50 62.69 1u85 n PRO 11 Cb 0.45 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.04 1.00 -0.06 3.54 2.03 -1.26 -4.76 116.55 116.99 1u85 n ASP 12 Ca 0.14 0.17 0.07 0.00 0.52 0.00 0.00 54.79 55.69 1u85 n ASP 12 Cb 0.22 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.10 -3.70 -4.74 0.00 2.03 -0.92 -4.98 116.55 103.15 1u85 n ASP 14 Ca 0.03 -0.02 -0.41 0.00 0.52 0.00 0.00 54.79 54.91 1u85 n ASP 14 Cb 0.23 -2.92 -0.03 0.00 -0.72 0.00 0.00 41.12 37.69 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 -2.58 3.29 -0.11 -0.67 0.52 -1.25 -4.72 118.94 113.42 1u85 s TRP 15 Ca 0.01 1.27 0.02 0.00 0.02 0.00 0.00 56.10 57.41 1u85 s TRP 15 Cb -0.00 -3.57 -0.01 0.00 -1.15 0.00 0.00 33.47 28.74 1u85 s TRP 15 CO 0.01 -1.74 -0.19 -1.12 0.02 0.00 0.00 176.95 173.93 1u85 s SER 16 N 0.28 3.53 0.00 2.95 0.01 -1.26 0.73 113.70 119.94 1u85 s SER 16 Ca 0.56 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.41 1u85 s SER 16 Cb -0.36 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1u85 s SER 16 CO 0.38 0.16 -0.14 -0.36 0.41 0.00 0.00 173.24 173.69 1u85 s PHE 17 N 0.35 1.26 -1.15 2.43 0.40 0.60 -4.91 117.98 116.97 1u85 s PHE 17 Ca -0.15 -0.27 0.26 0.00 -0.60 0.00 0.00 56.93 56.17 1u85 s PHE 17 Cb -0.17 -0.79 0.73 0.00 0.51 0.00 0.00 43.02 43.30 1u85 s PHE 17 CO 0.07 -0.00 1.57 0.43 0.70 0.00 0.00 175.22 177.99 1u85 n SER 18 N 2.48 0.47 -4.13 1.36 7.64 -1.26 -2.59 113.62 117.58 1u85 n SER 18 Ca -0.15 -0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.22 1u85 n SER 18 Cb 0.55 0.07 -0.17 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.89 2.42 0.25 1.43 0.52 -1.26 -4.91 118.95 114.51 1u85 s ARG 19 Ca 0.15 -0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 54.65 1u85 s ARG 19 Cb 0.18 -1.88 0.28 0.00 0.52 0.00 0.00 34.95 34.05 1u85 s ARG 19 CO 0.63 0.11 1.81 0.66 0.02 0.00 0.00 175.30 178.52 1u85 h SER 20 N 6.83 0.96 0.25 0.23 4.64 -1.96 -0.19 113.55 124.30 1u85 h SER 20 Ca -0.25 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 60.85 1u85 h SER 20 Cb 1.22 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1u85 h SER 20 CO 0.47 0.87 -0.30 -0.78 -0.87 0.00 0.00 176.83 176.23 1u85 h ASP 21 N 1.00 0.08 -0.02 4.97 1.82 -1.98 0.10 116.42 122.39 1u85 h ASP 21 Ca 0.23 -0.03 -0.22 0.00 -0.39 0.00 0.00 57.03 56.62 1u85 h ASP 21 Cb 0.24 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.24 1u85 h ASP 21 CO -0.01 0.39 -0.81 0.45 -1.61 0.00 0.00 179.24 177.64 1u85 h HIS 22 N 0.08 0.95 -0.57 0.28 3.86 -1.72 -0.71 115.15 117.31 1u85 h HIS 22 Ca 0.01 -0.43 -0.06 0.00 -1.16 0.00 0.00 60.37 58.73 1u85 h HIS 22 Cb 0.57 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1u85 h HIS 22 CO 0.00 1.25 0.12 1.25 0.86 0.00 0.00 177.93 181.42 1u85 h LEU 23 N 0.46 0.89 -1.24 2.43 5.85 -0.61 -2.30 115.31 120.78 1u85 h LEU 23 Ca -0.06 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1u85 h LEU 23 Cb 1.44 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1u85 h LEU 23 CO 0.16 0.90 0.14 0.00 -0.34 0.00 0.00 178.44 179.30 1u85 h ALA 24 N 1.02 1.39 0.00 1.25 0.00 -0.71 0.42 119.26 122.63 1u85 h ALA 24 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u85 h ALA 24 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u85 h ALA 24 CO 0.01 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.63 1u85 h LEU 25 N 0.65 0.00 0.00 0.00 4.07 -0.58 -1.32 115.31 118.13 1u85 h LEU 25 Ca 0.15 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.67 1u85 h LEU 25 Cb 0.21 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.88 1u85 h LEU 25 CO -0.01 0.00 -2.51 1.57 -1.08 0.00 0.00 178.44 176.41 1u85 n HIS 26 N -2.58 0.03 1.32 1.13 -0.00 -0.16 -4.46 115.22 110.51 1u85 n HIS 26 Ca 0.01 0.01 0.12 0.00 0.46 0.00 0.00 57.72 58.32 1u85 n HIS 26 Cb 0.21 -1.00 0.67 0.00 -0.12 0.00 0.00 29.99 29.74 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 -3.98 0.51 0.09 1.57 1.74 0.13 -2.68 116.66 114.04 1u85 n ARG 27 Ca -0.52 0.04 0.01 0.00 -0.77 0.00 0.00 57.85 56.60 1u85 n ARG 27 Cb 0.91 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 31.18 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 0.28 0.00 5.56 2.10 -1.46 0.76 116.57 123.82 1u85 h LYS 28 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1u85 h LYS 28 Cb 0.15 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1u85 h LYS 28 CO 0.00 0.48 0.00 0.07 -2.00 0.00 0.00 179.45 178.00 1u85 h ARG 29 N 0.26 0.00 0.00 0.07 0.11 -1.79 -0.55 114.38 112.48 1u85 h ARG 29 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1u85 h ARG 29 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1u85 h ARG 29 CO 0.03 0.00 -0.69 0.72 0.10 0.00 0.00 179.97 180.13 1u85 n HIS 30 N -2.99 0.32 -0.01 4.08 8.25 0.11 -3.77 115.22 121.21 1u85 n HIS 30 Ca 0.01 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 1u85 n HIS 30 Cb 0.30 -0.48 -0.14 0.00 1.12 0.00 0.00 29.99 30.78 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 0.00 0.03 -5.63 -0.41 2.86 0.37 -3.49 114.93 108.66 1u85 h MET 31 Ca 0.00 -0.05 -0.31 0.00 -2.06 0.00 0.00 59.70 57.29 1u85 h MET 31 Cb 0.67 0.02 0.17 0.00 0.06 0.00 0.00 31.60 32.52 1u85 h MET 31 CO 0.00 0.61 -0.82 1.28 1.06 0.00 0.00 176.91 179.04 1u85 n LEU 32 N -3.12 -4.59 0.00 1.22 4.32 -0.54 -5.10 117.00 109.20 1u85 n LEU 32 Ca -0.16 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.14 1u85 n LEU 32 Cb 1.04 -3.10 0.00 0.00 -1.62 0.00 0.00 43.42 39.74 1u85 n LEU 32 CO 0.45 0.27 0.14 1.33 -1.22 0.00 0.00 177.39 178.36