#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 0.31 -3.87 1.61 7.64 -1.26 -4.57 113.62 113.49 1u86 n SER 2 Ca 0.00 -1.64 -0.30 0.00 1.01 0.00 0.00 58.87 57.94 1u86 n SER 2 Cb 0.00 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1u86 n SER 2 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1u86 s THR 3 N -1.95 1.43 -0.69 0.44 2.01 -1.26 -4.94 115.64 110.68 1u86 s THR 3 Ca 0.21 -1.63 0.15 0.00 0.31 0.00 0.00 61.69 60.73 1u86 s THR 3 Cb 0.10 -1.99 -0.16 0.00 0.01 0.00 0.00 72.50 70.46 1u86 s THR 3 CO 0.16 -0.52 0.63 0.61 -0.69 0.00 0.00 174.62 174.81 1u86 n GLY 4 N 4.63 -0.40 3.44 4.40 0.00 -1.26 -4.87 105.19 111.12 1u86 n GLY 4 Ca -0.02 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.41 5.18 0.12 -0.61 1.09 -1.26 -4.80 121.20 118.52 1u86 s ILE 5 Ca 0.05 -0.73 0.07 0.00 -1.10 0.00 0.00 60.65 58.95 1u86 s ILE 5 Cb 0.11 -4.07 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1u86 s ILE 5 CO 0.61 -0.49 -0.18 -0.54 -0.10 0.00 0.00 174.94 174.25 1u86 s LYS 6 N 1.86 1.11 0.25 2.79 -0.14 -1.26 -5.04 119.74 119.31 1u86 s LYS 6 Ca 0.07 -1.24 0.11 0.00 -1.36 0.00 0.00 55.97 53.56 1u86 s LYS 6 Cb -0.21 -1.19 0.24 0.00 -1.68 0.00 0.00 37.83 34.99 1u86 s LYS 6 CO 0.10 0.25 1.53 -1.00 -0.76 0.00 0.00 175.35 175.47 1u86 h PRO 7 N 3.70 0.00 -2.13 -1.68 0.13 -1.98 -3.20 132.00 126.84 1u86 h PRO 7 Ca -0.43 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.98 1u86 h PRO 7 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 1u86 h PRO 7 CO 0.46 0.67 1.07 1.19 -0.23 0.00 0.00 178.00 181.16 1u86 n PHE 8 N -3.59 2.60 -2.77 1.56 3.01 -1.11 -4.99 117.46 112.17 1u86 n PHE 8 Ca -0.00 -2.35 -0.39 0.00 1.01 0.00 0.00 57.45 55.71 1u86 n PHE 8 Cb 0.69 -1.30 -0.06 0.00 -0.01 0.00 0.00 39.48 38.80 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 -3.33 4.76 -0.20 -1.08 0.74 -1.21 -0.05 119.66 119.28 1u86 s GLN 9 Ca 0.51 1.42 -0.28 0.00 0.05 0.00 0.00 55.36 57.06 1u86 s GLN 9 Cb 0.34 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 31.33 1u86 s GLN 9 CO -0.27 0.44 0.98 0.00 -0.55 0.00 0.00 175.29 175.89 1u86 n THR 11 N 5.12 1.78 -2.57 0.00 -1.04 -1.26 -3.24 114.28 113.07 1u86 n THR 11 Ca 0.10 -0.84 -0.42 0.00 -2.04 0.00 0.00 64.05 60.85 1u86 n THR 11 Cb 0.47 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.36 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 -1.75 3.58 0.09 -1.42 -0.11 -1.26 -4.91 118.94 113.16 1u86 s TRP 12 Ca 0.28 1.54 -0.28 0.00 1.22 0.00 0.00 56.10 58.86 1u86 s TRP 12 Cb 0.23 -3.25 -0.14 0.00 -1.50 0.00 0.00 33.47 28.81 1u86 s TRP 12 CO 0.07 -0.57 1.66 -1.35 -4.62 0.00 0.00 176.95 172.14 1u86 h PRO 13 N 6.44 -0.50 0.00 5.86 0.11 -2.01 0.76 132.00 142.66 1u86 h PRO 13 Ca -0.42 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1u86 h PRO 13 Cb 1.22 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1u86 h PRO 13 CO 0.77 -0.34 -0.28 0.38 -0.21 0.00 0.00 178.00 178.32 1u86 h ASP 14 N -0.52 0.00 0.00 -2.05 2.03 -2.00 -3.39 116.42 110.49 1u86 h ASP 14 Ca -0.02 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1u86 h ASP 14 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1u86 h ASP 14 CO -0.00 0.05 0.00 0.00 -1.03 0.00 0.00 179.24 178.25 1u86 n ASP 16 N -1.84 -6.91 -4.89 0.00 -0.08 0.25 -5.00 116.55 98.09 1u86 n ASP 16 Ca 0.00 -0.38 -0.21 0.00 -1.51 0.00 0.00 54.79 52.69 1u86 n ASP 16 Cb 0.00 -5.01 0.07 0.00 2.34 0.00 0.00 41.12 38.52 1u86 n ASP 16 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1u86 s ARG 17 N -3.69 2.16 -0.20 -0.67 3.00 -1.20 -4.88 118.95 113.48 1u86 s ARG 17 Ca 0.23 -1.27 -0.10 0.00 0.00 0.00 0.00 55.73 54.59 1u86 s ARG 17 Cb -0.03 -2.52 0.07 0.00 0.00 0.00 0.00 34.95 32.48 1u86 s ARG 17 CO 0.70 -0.99 0.47 -1.54 0.00 0.00 0.00 175.30 173.94 1u86 s SER 18 N -4.62 -0.55 0.39 0.23 1.04 -1.26 0.70 113.70 109.63 1u86 s SER 18 Ca 0.62 1.05 0.04 0.00 0.48 0.00 0.00 55.95 58.14 1u86 s SER 18 Cb -0.07 1.08 -0.05 0.00 0.10 0.00 0.00 66.02 67.08 1u86 s SER 18 CO 0.40 -0.21 0.05 -0.36 0.98 0.00 0.00 173.24 174.10 1u86 s PHE 19 N 1.81 2.07 0.00 5.02 0.40 0.93 -4.93 117.98 123.28 1u86 s PHE 19 Ca -0.08 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 1u86 s PHE 19 Cb -0.09 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1u86 s PHE 19 CO -0.14 0.11 0.00 -1.13 0.70 0.00 0.00 175.22 174.76 1u86 n SER 20 N -0.97 1.75 -4.69 1.36 3.41 -1.26 -2.77 113.62 110.46 1u86 n SER 20 Ca -0.06 -0.26 -0.35 0.00 -0.26 0.00 0.00 58.87 57.93 1u86 n SER 20 Cb 0.66 0.87 -0.09 0.00 -0.26 0.00 0.00 64.21 65.40 1u86 n SER 20 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u86 s ARG 21 N -1.22 4.10 0.26 4.33 0.52 -1.26 -4.94 118.95 120.73 1u86 s ARG 21 Ca 0.00 -0.27 0.14 0.00 -0.52 0.00 0.00 55.73 55.08 1u86 s ARG 21 Cb 0.00 -3.35 0.13 0.00 0.52 0.00 0.00 34.95 32.25 1u86 s ARG 21 CO 0.00 0.27 1.47 0.77 0.02 0.00 0.00 175.30 177.83 1u86 h SER 22 N 6.74 0.00 0.57 0.23 0.02 -1.97 -2.52 113.55 116.61 1u86 h SER 22 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1u86 h SER 22 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1u86 h SER 22 CO 0.73 0.59 -0.27 -0.67 -1.14 0.00 0.00 176.83 176.07 1u86 n ASP 23 N -3.32 0.42 -0.13 3.07 2.03 -1.26 -2.38 116.55 114.99 1u86 n ASP 23 Ca 0.01 -0.20 -0.18 0.00 0.52 0.00 0.00 54.79 54.94 1u86 n ASP 23 Cb 0.73 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 41.00 1u86 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1u86 n HIS 24 N -1.29 0.00 0.38 -0.67 8.25 -1.17 -3.46 115.22 117.26 1u86 n HIS 24 Ca 0.08 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.67 1u86 n HIS 24 Cb 0.33 -0.96 0.33 0.00 1.12 0.00 0.00 29.99 30.80 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 -0.04 0.00 -0.21 2.41 5.85 -1.57 0.10 115.31 121.85 1u86 h LEU 25 Ca -0.56 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 57.94 1u86 h LEU 25 Cb 1.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1u86 h LEU 25 CO -0.10 0.00 -0.88 0.00 -0.34 0.00 0.00 178.44 177.12 1u86 h ALA 26 N 2.21 0.39 -0.04 1.25 0.00 -1.65 0.91 119.26 122.33 1u86 h ALA 26 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1u86 h ALA 26 Cb 0.82 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1u86 h ALA 26 CO 0.00 0.78 -0.02 -0.07 0.00 0.00 0.00 179.25 179.94 1u86 h LEU 27 N 0.29 0.09 -0.71 0.00 3.38 -1.50 -0.74 115.31 116.12 1u86 h LEU 27 Ca -0.07 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1u86 h LEU 27 Cb 1.51 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 1u86 h LEU 27 CO 0.16 0.46 0.41 -0.74 0.09 0.00 0.00 178.44 178.82 1u86 h HIS 28 N -0.29 0.76 0.00 1.13 2.76 -0.77 -0.94 115.15 117.80 1u86 h HIS 28 Ca 0.01 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1u86 h HIS 28 Cb 0.43 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1u86 h HIS 28 CO 0.06 0.37 -0.48 0.00 -1.30 0.00 0.00 177.93 176.59 1u86 h ARG 29 N 0.76 0.00 0.00 5.26 3.08 -0.75 -2.95 114.38 119.78 1u86 h ARG 29 Ca 0.31 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.25 1u86 h ARG 29 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1u86 h ARG 29 CO -0.17 0.48 -0.53 1.57 -1.07 0.00 0.00 179.97 180.25 1u86 h LYS 30 N 0.00 0.00 0.00 0.04 2.10 -0.65 -2.34 116.57 115.72 1u86 h LYS 30 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1u86 h LYS 30 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1u86 h LYS 30 CO 0.06 0.53 0.00 0.00 -2.00 0.00 0.00 179.45 178.04 1u86 h ARG 31 N 0.00 0.00 -0.01 0.07 2.47 -1.03 -2.47 114.38 113.41 1u86 h ARG 31 Ca -0.01 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1u86 h ARG 31 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1u86 h ARG 31 CO 0.07 0.00 -0.19 0.45 0.56 0.00 0.00 179.97 180.86 1u86 h HIS 32 N 0.00 0.22 0.00 3.04 3.86 -1.27 -3.22 115.15 117.77 1u86 h HIS 32 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1u86 h HIS 32 Cb 0.59 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1u86 h HIS 32 CO 0.00 0.87 0.00 0.00 0.86 0.00 0.00 177.93 179.66 1u86 h MET 33 N -0.50 0.00 -2.38 2.45 -0.00 -1.41 -3.30 114.93 109.79 1u86 h MET 33 Ca -0.02 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 59.08 1u86 h MET 33 Cb 0.92 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 32.10 1u86 h MET 33 CO 0.04 0.00 -0.68 1.28 -0.00 0.00 0.00 176.91 177.55 1u86 n LEU 34 N -2.52 2.91 -0.82 -0.10 4.77 -0.94 -5.13 117.00 115.17 1u86 n LEU 34 Ca 0.02 -5.24 0.13 0.00 -0.03 0.00 0.00 56.01 50.89 1u86 n LEU 34 Cb 0.30 -0.45 0.22 0.00 -2.33 0.00 0.00 43.42 41.16 1u86 n LEU 34 CO 0.24 1.98 0.70 1.33 -1.33 0.00 0.00 177.39 180.31