#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hro s SER 835 N 0.00 6.12 0.18 4.52 1.04 -1.26 -4.95 113.70 119.34 3hro s SER 835 Ca 0.00 1.19 -0.13 0.00 0.48 0.00 0.00 55.95 57.48 3hro s SER 835 Cb 0.00 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.94 3hro s SER 835 CO 0.00 -0.84 1.79 0.22 0.98 0.00 0.00 173.24 175.39 3hro h TYR 836 N -0.17 0.48 -0.19 5.02 5.03 -2.05 -2.33 116.97 122.76 3hro h TYR 836 Ca -0.45 0.02 0.04 0.00 2.58 0.00 0.00 58.73 60.92 3hro h TYR 836 Cb 1.21 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.30 3hro h TYR 836 CO 0.61 0.25 -0.06 0.93 -1.32 0.00 0.00 178.16 178.56 3hro h GLU 837 N 0.52 -0.02 -0.41 1.82 5.08 -1.99 0.75 114.58 120.33 3hro h GLU 837 Ca 0.21 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3hro h GLU 837 Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hro h GLU 837 CO -0.14 -0.02 -0.17 1.05 -1.00 0.00 0.00 179.01 178.73 3hro h GLU 838 N -0.03 0.77 -0.57 2.33 4.11 -1.94 -2.42 114.58 116.82 3hro h GLU 838 Ca 0.10 -0.28 -0.04 0.00 0.07 0.00 0.00 59.36 59.20 3hro h GLU 838 Cb 0.17 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hro h GLU 838 CO -0.22 0.89 0.20 0.35 0.07 0.00 0.00 179.01 180.31 3hro h PHE 839 N 0.68 0.90 -0.09 2.06 3.04 -0.95 -2.53 116.94 120.06 3hro h PHE 839 Ca 0.10 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 3hro h PHE 839 Cb 0.67 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 3hro h PHE 839 CO 0.03 0.74 -0.12 1.96 -2.02 0.00 0.00 178.31 178.90 3hro h GLN 840 N 0.79 0.13 -0.78 1.11 1.08 -0.64 -1.28 115.11 115.53 3hro h GLN 840 Ca 0.19 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 3hro h GLN 840 Cb 0.25 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 3hro h GLN 840 CO -0.01 0.26 0.49 0.28 -0.95 0.00 0.00 178.83 178.90 3hro h VAL 841 N 0.13 1.09 -0.17 -0.54 2.07 -1.00 -0.22 116.25 117.60 3hro h VAL 841 Ca 0.03 -0.32 -0.20 0.00 0.82 0.00 0.00 66.70 67.02 3hro h VAL 841 Cb 0.30 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3hro h VAL 841 CO 0.02 0.17 -0.69 0.25 0.02 0.00 0.00 177.57 177.34 3hro h LEU 842 N 0.94 0.83 -0.61 2.57 5.85 -1.17 -2.27 115.31 121.44 3hro h LEU 842 Ca 0.32 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3hro h LEU 842 Cb 0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3hro h LEU 842 CO -0.13 1.28 0.36 0.58 -0.34 0.00 0.00 178.44 180.19 3hro h VAL 843 N 0.51 1.19 -0.83 1.05 2.07 -0.94 -0.89 116.25 118.40 3hro h VAL 843 Ca -0.03 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3hro h VAL 843 Cb 1.29 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3hro h VAL 843 CO 0.14 0.19 0.42 0.03 0.02 0.00 0.00 177.57 178.37 3hro h ARG 844 N 0.83 1.19 -0.46 1.57 3.08 -0.97 -1.08 114.38 118.54 3hro h ARG 844 Ca 0.22 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3hro h ARG 844 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3hro h ARG 844 CO -0.04 0.90 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.60 3hro h ARG 845 N 1.18 0.86 -0.41 0.04 9.65 -0.92 -1.14 114.38 123.64 3hro h ARG 845 Ca 0.29 -0.31 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3hro h ARG 845 Cb 0.09 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3hro h ARG 845 CO -0.04 0.94 0.15 0.28 2.80 0.00 0.00 179.97 184.11 3hro h VAL 846 N 0.70 1.20 -0.97 0.20 2.07 -1.00 0.08 116.25 118.55 3hro h VAL 846 Ca 0.12 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3hro h VAL 846 Cb 0.60 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3hro h VAL 846 CO 0.04 0.23 0.63 -0.78 0.02 0.00 0.00 177.57 177.71 3hro h ASP 847 N 0.51 1.12 -0.55 0.57 3.58 -1.07 -0.58 116.42 120.01 3hro h ASP 847 Ca 0.13 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 3hro h ASP 847 Cb 0.21 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 3hro h ASP 847 CO -0.01 0.82 0.27 -0.09 -2.88 0.00 0.00 179.24 177.36 3hro h ARG 848 N 1.32 0.79 -0.16 0.28 2.43 -0.63 -2.43 114.38 115.97 3hro h ARG 848 Ca 0.35 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3hro h ARG 848 Cb -0.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 3hro h ARG 848 CO -0.07 0.64 -0.11 0.52 -1.51 0.00 0.00 179.97 179.43 3hro h MET 849 N 0.74 0.25 -0.28 0.20 2.86 -0.33 -1.31 114.93 117.06 3hro h MET 849 Ca 0.19 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3hro h MET 849 Cb 0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3hro h MET 849 CO -0.03 0.37 -0.04 0.93 1.06 0.00 0.00 176.91 179.20 3hro h GLU 850 N 0.24 0.43 -0.27 1.72 5.08 -0.64 0.11 114.58 121.26 3hro h GLU 850 Ca 0.05 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3hro h GLU 850 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hro h GLU 850 CO 0.02 0.50 -0.46 0.45 -1.00 0.00 0.00 179.01 178.51 3hro h HIS 851 N 0.42 0.98 -0.72 4.33 3.86 -1.03 -1.07 115.15 121.91 3hro h HIS 851 Ca 0.09 -0.34 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 3hro h HIS 851 Cb 0.35 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3hro h HIS 851 CO 0.01 1.14 0.40 0.77 0.86 0.00 0.00 177.93 181.11 3hro h SER 852 N 0.53 0.89 -0.67 2.45 0.02 -0.83 -1.45 113.55 114.50 3hro h SER 852 Ca 0.02 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3hro h SER 852 Cb 1.07 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 3hro h SER 852 CO 0.10 0.73 0.13 0.40 -1.14 0.00 0.00 176.83 177.05 3hro h ILE 853 N 0.99 1.26 -0.72 3.27 2.04 -0.64 -1.86 117.51 121.85 3hro h ILE 853 Ca 0.25 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3hro h ILE 853 Cb 0.03 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3hro h ILE 853 CO -0.04 0.38 0.40 1.23 0.00 0.00 0.00 178.15 180.12 3hro h GLY 854 N 1.01 1.08 1.18 5.37 0.00 -0.80 -0.33 103.07 110.59 3hro h GLY 854 Ca 0.20 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3hro h GLY 854 CO 0.01 0.46 0.05 1.76 0.00 0.00 0.00 176.54 178.82 3hro h SER 855 N 1.00 0.96 -0.60 0.19 0.02 -0.98 -1.14 113.55 112.99 3hro h SER 855 Ca 0.26 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3hro h SER 855 Cb 0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 3hro h SER 855 CO -0.04 0.98 0.18 0.40 -1.14 0.00 0.00 176.83 177.21 3hro h ILE 856 N 0.92 1.24 -0.72 3.27 2.04 -1.05 -1.30 117.51 121.92 3hro h ILE 856 Ca 0.18 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3hro h ILE 856 Cb 0.46 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3hro h ILE 856 CO 0.02 0.32 0.23 0.58 0.00 0.00 0.00 178.15 179.29 3hro h VAL 857 N 0.85 1.26 -0.69 1.67 2.07 -0.71 0.02 116.25 120.73 3hro h VAL 857 Ca 0.19 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3hro h VAL 857 Cb 0.30 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hro h VAL 857 CO -0.01 0.35 0.16 0.28 0.02 0.00 0.00 177.57 178.37 3hro h SER 858 N 1.06 1.05 -0.29 0.57 0.02 -0.87 -0.97 113.55 114.13 3hro h SER 858 Ca 0.23 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3hro h SER 858 Cb 0.29 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3hro h SER 858 CO -0.01 1.01 -0.12 0.11 -1.14 0.00 0.00 176.83 176.68 3hro h LYS 859 N 1.03 0.60 -0.29 3.45 1.57 -0.91 -2.14 116.57 119.88 3hro h LYS 859 Ca 0.21 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3hro h LYS 859 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3hro h LYS 859 CO 0.00 0.82 -0.26 0.97 -0.57 0.00 0.00 179.45 180.42 3hro h ILE 860 N 0.35 1.27 -0.06 1.86 6.09 -0.88 -1.68 117.51 124.46 3hro h ILE 860 Ca 0.07 -1.32 -0.09 0.00 -1.37 0.00 0.00 64.86 62.14 3hro h ILE 860 Cb 0.63 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 3hro h ILE 860 CO 0.04 0.43 -0.37 0.44 -3.07 0.00 0.00 178.15 175.61 3hro h ASP 861 N 0.51 0.13 -0.34 2.19 3.32 -1.14 0.18 116.42 121.27 3hro h ASP 861 Ca 0.07 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 3hro h ASP 861 Cb 0.71 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3hro h ASP 861 CO 0.05 0.50 -0.30 0.00 -1.72 0.00 0.00 179.24 177.77 3hro h ALA 862 N 1.51 0.49 -0.46 3.45 0.00 -0.92 -2.14 119.26 121.19 3hro h ALA 862 Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3hro h ALA 862 Cb 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hro h ALA 862 CO 0.05 0.53 0.15 0.28 0.00 0.00 0.00 179.25 180.26 3hro h VAL 863 N 0.58 1.22 -0.89 0.00 2.07 -1.00 -1.79 116.25 116.45 3hro h VAL 863 Ca 0.06 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.92 3hro h VAL 863 Cb 0.88 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3hro h VAL 863 CO 0.08 0.27 0.55 0.40 0.02 0.00 0.00 177.57 178.88 3hro h ILE 864 N 0.61 1.00 -0.44 4.57 2.04 -0.81 -1.66 117.51 122.82 3hro h ILE 864 Ca 0.15 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 3hro h ILE 864 Cb 0.26 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 3hro h ILE 864 CO -0.01 0.17 -0.16 0.58 0.00 0.00 0.00 178.15 178.74 3hro h VAL 865 N 0.96 1.27 -0.93 1.67 2.07 -0.94 -1.83 116.25 118.52 3hro h VAL 865 Ca 0.41 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3hro h VAL 865 Cb 0.26 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3hro h VAL 865 CO -0.21 0.43 0.62 0.11 0.02 0.00 0.00 177.57 178.55 3hro h LYS 866 N 0.75 1.22 -0.17 1.57 1.57 -0.56 -1.92 116.57 119.04 3hro h LYS 866 Ca 0.11 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 3hro h LYS 866 Cb 0.68 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3hro h LYS 866 CO 0.05 0.81 -0.63 -0.07 -0.57 0.00 0.00 179.45 179.03 3hro h LEU 867 N 1.26 0.68 -1.27 2.94 3.38 -1.01 -2.24 115.31 119.05 3hro h LEU 867 Ca 0.34 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3hro h LEU 867 Cb -0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3hro h LEU 867 CO -0.08 1.14 -0.21 -0.33 0.09 0.00 0.00 178.44 179.05 3hro h GLU 868 N 0.44 0.23 -0.46 1.13 5.08 -0.97 -2.84 114.58 117.18 3hro h GLU 868 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hro h GLU 868 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hro h GLU 868 CO 0.12 0.44 0.00 0.44 -1.00 0.00 0.00 179.01 179.01 3hro n ILE 869 N -4.20 0.65 1.69 3.13 -5.35 -0.75 -5.11 119.36 109.42 3hro n ILE 869 Ca -0.01 -0.82 0.14 0.00 -0.27 0.00 0.00 62.75 61.78 3hro n ILE 869 Cb 0.33 0.84 0.80 0.00 -1.74 0.00 0.00 39.64 39.87 3hro n ILE 869 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59