#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u86 n SER 2 N 0.00 0.54 -4.66 1.61 3.41 -1.26 -4.84 113.62 108.43 1u86 n SER 2 Ca 0.00 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 1u86 n SER 2 Cb 0.00 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1u86 n SER 2 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u86 s THR 3 N -2.55 3.33 -0.15 6.66 -4.23 -1.26 -4.87 115.64 112.58 1u86 s THR 3 Ca 0.26 0.40 0.18 0.00 -1.18 0.00 0.00 61.69 61.35 1u86 s THR 3 Cb 0.20 -3.26 0.44 0.00 1.34 0.00 0.00 72.50 71.21 1u86 s THR 3 CO 0.50 -0.04 1.18 0.61 -0.54 0.00 0.00 174.62 176.34 1u86 n GLY 4 N 4.33 3.28 3.73 3.99 0.00 -1.26 -5.05 105.19 114.22 1u86 n GLY 4 Ca 0.19 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1u86 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u86 s ILE 5 N -2.23 5.39 0.17 -0.61 1.01 -1.26 -4.87 121.20 118.80 1u86 s ILE 5 Ca 0.37 0.26 0.11 0.00 0.00 0.00 0.00 60.65 61.39 1u86 s ILE 5 Cb 0.38 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1u86 s ILE 5 CO -0.09 0.43 -0.24 -0.54 0.00 0.00 0.00 174.94 174.50 1u86 s LYS 6 N 0.36 1.45 0.45 2.79 -0.14 -1.26 -5.02 119.74 118.37 1u86 s LYS 6 Ca 0.10 -1.45 0.25 0.00 -1.36 0.00 0.00 55.97 53.50 1u86 s LYS 6 Cb -0.11 -1.80 0.95 0.00 -1.68 0.00 0.00 37.83 35.18 1u86 s LYS 6 CO -0.01 0.40 1.84 -1.00 -0.76 0.00 0.00 175.35 175.82 1u86 h PRO 7 N 3.43 0.00 -1.74 -1.68 0.13 -1.99 -2.85 132.00 127.29 1u86 h PRO 7 Ca -0.47 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.92 1u86 h PRO 7 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 1u86 h PRO 7 CO 0.45 0.20 0.91 1.19 -0.23 0.00 0.00 178.00 180.52 1u86 n PHE 8 N -3.35 3.05 -2.49 1.56 3.01 -1.18 -5.00 117.46 113.07 1u86 n PHE 8 Ca 0.00 -2.51 -0.41 0.00 1.01 0.00 0.00 57.45 55.54 1u86 n PHE 8 Cb 0.42 -1.18 -0.04 0.00 -0.01 0.00 0.00 39.48 38.68 1u86 n PHE 8 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1u86 s GLN 9 N -3.99 4.55 -0.00 -1.08 2.00 -1.08 -0.55 119.66 119.51 1u86 s GLN 9 Ca 0.55 1.73 -0.30 0.00 -2.00 0.00 0.00 55.36 55.34 1u86 s GLN 9 Cb 0.45 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.92 1u86 s GLN 9 CO -0.31 -0.02 1.28 0.00 -0.50 0.00 0.00 175.29 175.73 1u86 n THR 11 N 4.44 0.92 -2.61 0.00 -1.04 -1.26 -3.68 114.28 111.05 1u86 n THR 11 Ca 0.11 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 1u86 n THR 11 Cb 0.45 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 68.55 1u86 n THR 11 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1u86 s TRP 12 N -1.62 3.57 0.05 -1.42 -0.11 -1.26 -4.94 118.94 113.21 1u86 s TRP 12 Ca 0.19 1.55 -0.28 0.00 1.22 0.00 0.00 56.10 58.78 1u86 s TRP 12 Cb 0.14 -3.23 -0.17 0.00 -1.50 0.00 0.00 33.47 28.71 1u86 s TRP 12 CO 0.06 -0.47 1.46 -1.35 -4.62 0.00 0.00 176.95 172.03 1u86 h PRO 13 N 6.83 -0.53 0.00 5.86 0.11 -2.00 0.29 132.00 142.55 1u86 h PRO 13 Ca -0.41 0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1u86 h PRO 13 Cb 1.21 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1u86 h PRO 13 CO 0.78 -0.27 -0.34 0.22 -0.21 0.00 0.00 178.00 178.17 1u86 h ASP 14 N -0.71 0.00 0.00 -2.05 3.58 -2.00 -3.37 116.42 111.88 1u86 h ASP 14 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1u86 h ASP 14 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1u86 h ASP 14 CO 0.09 0.34 -0.02 0.00 -2.88 0.00 0.00 179.24 176.78 1u86 n ASP 16 N -2.31 -7.23 -5.01 0.00 2.03 0.10 -5.02 116.55 99.12 1u86 n ASP 16 Ca -0.00 -0.38 -0.18 0.00 0.52 0.00 0.00 54.79 54.75 1u86 n ASP 16 Cb 0.01 -5.19 0.02 0.00 -0.72 0.00 0.00 41.12 35.25 1u86 n ASP 16 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1u86 s ARG 17 N -3.68 2.63 -0.13 -0.67 3.00 -1.24 -4.92 118.95 113.94 1u86 s ARG 17 Ca 0.21 -1.40 -0.06 0.00 0.00 0.00 0.00 55.73 54.47 1u86 s ARG 17 Cb -0.03 -2.69 0.06 0.00 0.00 0.00 0.00 34.95 32.29 1u86 s ARG 17 CO 0.75 -0.47 0.30 -1.54 0.00 0.00 0.00 175.30 174.35 1u86 s SER 18 N -4.44 -0.15 0.36 0.23 1.04 -1.26 0.52 113.70 109.99 1u86 s SER 18 Ca 0.57 0.67 0.07 0.00 0.48 0.00 0.00 55.95 57.73 1u86 s SER 18 Cb -0.08 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1u86 s SER 18 CO 0.35 -0.20 -0.02 -0.36 0.98 0.00 0.00 173.24 173.98 1u86 s PHE 19 N 1.73 2.31 -0.16 5.02 0.40 0.29 -4.93 117.98 122.63 1u86 s PHE 19 Ca -0.06 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 1u86 s PHE 19 Cb -0.11 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 1u86 s PHE 19 CO -0.10 0.39 0.28 0.43 0.70 0.00 0.00 175.22 176.92 1u86 n SER 20 N -0.81 0.53 -4.61 1.36 7.64 -1.26 -3.12 113.62 113.35 1u86 n SER 20 Ca -0.05 -0.76 -0.36 0.00 1.01 0.00 0.00 58.87 58.71 1u86 n SER 20 Cb 0.65 0.60 -0.10 0.00 -1.01 0.00 0.00 64.21 64.35 1u86 n SER 20 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1u86 s ARG 21 N -0.77 3.96 0.29 1.43 3.00 -1.26 -5.00 118.95 120.60 1u86 s ARG 21 Ca 0.01 -0.33 0.17 0.00 0.00 0.00 0.00 55.73 55.58 1u86 s ARG 21 Cb 0.02 -3.41 0.10 0.00 0.00 0.00 0.00 34.95 31.65 1u86 s ARG 21 CO 0.06 0.07 1.43 0.66 0.00 0.00 0.00 175.30 177.51 1u86 h SER 22 N 7.45 0.00 -0.01 0.23 4.64 -1.98 -2.77 113.55 121.11 1u86 h SER 22 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1u86 h SER 22 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1u86 h SER 22 CO 0.65 0.41 -0.50 -0.90 -0.87 0.00 0.00 176.83 175.62 1u86 n ASP 23 N -3.17 1.59 -0.06 4.97 5.75 -1.26 -3.32 116.55 121.04 1u86 n ASP 23 Ca 0.02 -1.29 -0.21 0.00 -0.01 0.00 0.00 54.79 53.29 1u86 n ASP 23 Cb 0.70 0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 41.26 1u86 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1u86 n HIS 24 N -0.38 0.82 0.18 2.11 8.25 -1.23 -3.28 115.22 121.70 1u86 n HIS 24 Ca 0.07 0.21 0.07 0.00 -0.26 0.00 0.00 57.72 57.81 1u86 n HIS 24 Cb 0.37 -1.10 0.20 0.00 1.12 0.00 0.00 29.99 30.58 1u86 n HIS 24 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1u86 h LEU 25 N -0.23 0.00 -0.30 2.41 5.85 -1.68 0.15 115.31 121.51 1u86 h LEU 25 Ca -0.47 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 1u86 h LEU 25 Cb 1.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 1u86 h LEU 25 CO -0.05 0.30 -0.33 0.00 -0.34 0.00 0.00 178.44 178.02 1u86 h ALA 26 N 1.70 0.44 0.00 1.25 0.00 -1.71 -0.36 119.26 120.58 1u86 h ALA 26 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1u86 h ALA 26 Cb 1.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1u86 h ALA 26 CO 0.04 0.50 -0.85 1.37 0.00 0.00 0.00 179.25 180.30 1u86 h LEU 27 N 0.51 0.05 -1.43 0.00 8.10 -1.52 -1.49 115.31 119.53 1u86 h LEU 27 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1u86 h LEU 27 Cb 0.91 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 41.09 1u86 h LEU 27 CO 0.08 0.88 0.28 -0.74 -4.11 0.00 0.00 178.44 174.83 1u86 h HIS 28 N 0.02 0.65 0.00 0.17 2.76 -0.55 -0.20 115.15 118.00 1u86 h HIS 28 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1u86 h HIS 28 Cb 1.50 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.24 1u86 h HIS 28 CO 0.01 0.45 -0.39 0.54 -1.30 0.00 0.00 177.93 177.23 1u86 n ARG 29 N -4.42 0.12 -0.01 5.26 1.74 -0.16 -3.11 116.66 116.09 1u86 n ARG 29 Ca 0.04 0.05 -0.17 0.00 -0.77 0.00 0.00 57.85 57.00 1u86 n ARG 29 Cb 0.09 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 1u86 n ARG 29 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1u86 h LYS 30 N 0.00 0.24 0.00 5.56 6.56 0.01 -3.20 116.57 125.73 1u86 h LYS 30 Ca 0.00 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1u86 h LYS 30 Cb 0.60 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1u86 h LYS 30 CO 0.00 1.05 0.00 0.07 -2.06 0.00 0.00 179.45 178.51 1u86 h ARG 31 N -0.44 0.00 -0.17 3.15 0.11 -1.44 -1.63 114.38 113.96 1u86 h ARG 31 Ca -0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 1u86 h ARG 31 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 1u86 h ARG 31 CO 0.08 0.00 0.07 0.45 0.10 0.00 0.00 179.97 180.68 1u86 h HIS 32 N 0.00 0.25 -0.29 4.08 3.86 -1.53 -2.04 115.15 119.48 1u86 h HIS 32 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1u86 h HIS 32 Cb 0.47 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1u86 h HIS 32 CO 0.00 0.30 0.00 0.00 0.86 0.00 0.00 177.93 179.09 1u86 n MET 33 N -4.87 1.75 -3.47 2.45 0.00 -1.12 -4.92 117.12 106.94 1u86 n MET 33 Ca -0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 57.70 56.31 1u86 n MET 33 Cb 0.11 -1.29 0.06 0.00 0.00 0.00 0.00 33.22 32.10 1u86 n MET 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1u86 n LEU 34 N 0.42 -4.23 0.00 3.17 0.00 -0.77 -5.12 117.00 110.47 1u86 n LEU 34 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 56.01 55.37 1u86 n LEU 34 Cb 0.29 -2.94 0.00 0.00 0.00 0.00 0.00 43.42 40.77 1u86 n LEU 34 CO 0.09 0.30 0.21 0.55 0.00 0.00 0.00 177.39 178.54