#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkn n GLU 844 N 0.00 3.54 0.00 3.49 2.13 -1.26 -4.04 120.64 124.50 1nkn n GLU 844 Ca 0.00 -2.14 0.14 0.00 0.66 0.00 0.00 57.16 55.82 1nkn n GLU 844 Cb 0.00 -1.97 0.61 0.00 0.27 0.00 0.00 31.44 30.36 1nkn n GLU 844 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1nkn n GLU 845 N 0.49 0.03 -0.28 5.31 2.13 -1.26 -3.79 120.64 123.27 1nkn n GLU 845 Ca 0.19 0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.99 1nkn n GLU 845 Cb 0.86 -1.50 0.12 0.00 0.27 0.00 0.00 31.44 31.19 1nkn n GLU 845 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nkn h MET 846 N 0.00 1.15 -0.20 5.31 -0.00 -2.01 -2.00 114.93 117.18 1nkn h MET 846 Ca 0.00 -0.15 0.06 0.00 -0.00 0.00 0.00 59.70 59.61 1nkn h MET 846 Cb 0.47 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.85 1nkn h MET 846 CO 0.00 0.87 0.15 -0.22 -0.00 0.00 0.00 176.91 177.71 1nkn h LYS 847 N 1.15 0.00 -0.13 -0.10 3.11 -1.92 0.95 116.57 119.63 1nkn h LYS 847 Ca 0.28 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 1nkn h LYS 847 Cb 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1nkn h LYS 847 CO -0.04 0.00 -0.07 1.49 -2.81 0.00 0.00 179.45 178.02 1nkn h GLU 848 N 0.00 0.27 0.00 1.90 4.57 -1.61 -2.43 114.58 117.29 1nkn h GLU 848 Ca 0.10 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.01 1nkn h GLU 848 Cb 0.39 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1nkn h GLU 848 CO -0.00 0.62 -0.98 1.96 -1.18 0.00 0.00 179.01 179.42 1nkn h GLN 849 N -0.09 0.00 0.00 1.92 4.20 -1.40 -1.15 115.11 118.60 1nkn h GLN 849 Ca 0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1nkn h GLN 849 Cb 0.54 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1nkn h GLN 849 CO 0.02 0.44 -0.16 1.25 -0.67 0.00 0.00 178.83 179.71 1nkn h LEU 850 N 0.00 0.00 0.10 1.46 5.85 0.90 0.40 115.31 124.02 1nkn h LEU 850 Ca -0.08 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.30 1nkn h LEU 850 Cb 1.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1nkn h LEU 850 CO 0.06 0.16 -1.84 1.17 -0.34 0.00 0.00 178.44 177.66 1nkn n LYS 851 N -3.71 0.72 0.03 1.25 3.00 -0.92 -3.40 118.16 115.14 1nkn n LYS 851 Ca -0.02 0.33 0.21 0.00 -0.00 0.00 0.00 58.31 58.83 1nkn n LYS 851 Cb 0.28 -1.72 0.72 0.00 0.00 0.00 0.00 35.03 34.31 1nkn n LYS 851 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1nkn h GLN 852 N -0.16 0.00 -0.28 1.64 4.15 -0.63 0.41 115.11 120.24 1nkn h GLN 852 Ca -0.41 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.87 1nkn h GLN 852 Cb 1.88 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.57 1nkn h GLN 852 CO 0.03 0.00 -0.39 1.98 -1.93 0.00 0.00 178.83 178.51 1nkn h MET 853 N 0.00 0.76 -0.54 1.69 4.05 -0.30 -2.64 114.93 117.96 1nkn h MET 853 Ca 0.23 -0.45 -0.08 0.00 -0.28 0.00 0.00 59.70 59.13 1nkn h MET 853 Cb 1.02 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.84 1nkn h MET 853 CO -0.00 1.07 0.04 -0.44 0.23 0.00 0.00 176.91 177.81 1nkn h ASP 854 N 0.52 0.90 0.34 1.39 3.32 -0.25 -0.91 116.42 121.73 1nkn h ASP 854 Ca 0.03 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 1nkn h ASP 854 Cb 0.99 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1nkn h ASP 854 CO 0.09 0.96 -0.35 0.50 -1.72 0.00 0.00 179.24 178.72 1nkn h LYS 855 N 0.80 0.02 -0.06 3.56 1.63 -1.24 -2.26 116.57 119.02 1nkn h LYS 855 Ca 0.16 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.77 1nkn h LYS 855 Cb 0.48 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1nkn h LYS 855 CO 0.02 0.37 -0.73 1.98 -3.45 0.00 0.00 179.45 177.64 1nkn h MET 856 N 0.02 0.34 -0.38 1.90 4.05 -1.12 -0.13 114.93 119.60 1nkn h MET 856 Ca -0.00 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.10 1nkn h MET 856 Cb 0.63 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 1nkn h MET 856 CO 0.05 0.93 0.06 0.87 0.23 0.00 0.00 176.91 179.04 1nkn h LYS 857 N 0.23 0.57 0.01 0.39 1.57 -0.60 -1.87 116.57 116.87 1nkn h LYS 857 Ca -0.03 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 58.39 1nkn h LYS 857 Cb 1.30 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1nkn h LYS 857 CO 0.12 0.55 -1.36 1.05 -0.57 0.00 0.00 179.45 179.24 1nkn h GLU 858 N 0.56 0.01 -0.15 3.15 4.11 -1.21 -2.83 114.58 118.22 1nkn h GLU 858 Ca 0.13 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 1nkn h GLU 858 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1nkn h GLU 858 CO 0.00 0.77 -0.08 -0.44 0.07 0.00 0.00 179.01 179.33 1nkn h ASP 859 N 0.00 0.21 -0.09 3.06 3.45 -0.78 -1.02 116.42 121.24 1nkn h ASP 859 Ca -0.15 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.15 1nkn h ASP 859 Cb 1.90 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 40.62 1nkn h ASP 859 CO 0.11 0.33 -0.41 0.25 -1.57 0.00 0.00 179.24 177.95 1nkn h LEU 860 N 0.22 0.52 -1.00 1.55 5.85 -1.37 -2.33 115.31 118.75 1nkn h LEU 860 Ca 0.05 -0.64 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 1nkn h LEU 860 Cb 0.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1nkn h LEU 860 CO 0.01 1.07 -0.12 0.00 -0.34 0.00 0.00 178.44 179.07 1nkn h ALA 861 N 0.46 1.16 0.41 1.25 0.00 -1.22 -0.89 119.26 120.43 1nkn h ALA 861 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1nkn h ALA 861 Cb 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nkn h ALA 861 CO 0.09 0.53 -0.19 -0.22 0.00 0.00 0.00 179.25 179.45 1nkn h LYS 862 N 0.54 -0.53 -0.95 0.00 3.64 -1.24 -1.79 116.57 116.24 1nkn h LYS 862 Ca 0.10 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1nkn h LYS 862 Cb 0.52 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 1nkn h LYS 862 CO 0.03 -0.22 0.60 1.15 -2.27 0.00 0.00 179.45 178.74 1nkn h THR 863 N -0.85 1.01 -0.54 1.00 2.02 -1.34 0.79 112.91 115.00 1nkn h THR 863 Ca -0.06 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.67 1nkn h THR 863 Cb 0.55 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1nkn h THR 863 CO 0.09 0.19 -0.04 -0.33 0.37 0.00 0.00 175.52 175.80 1nkn h GLU 864 N 1.04 0.96 -0.45 6.66 4.39 -1.13 0.13 114.58 126.17 1nkn h GLU 864 Ca 0.44 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1nkn h GLU 864 Cb 0.28 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1nkn h GLU 864 CO -0.21 0.97 0.03 -0.09 -1.16 0.00 0.00 179.01 178.55 1nkn h ARG 865 N 0.87 0.78 -0.58 2.33 2.43 -0.28 -1.49 114.38 118.44 1nkn h ARG 865 Ca 0.15 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 1nkn h ARG 865 Cb 0.57 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1nkn h ARG 865 CO 0.03 0.82 0.00 0.82 -1.51 0.00 0.00 179.97 180.14 1nkn h ILE 866 N 0.63 1.26 0.03 1.20 2.04 -0.70 -2.33 117.51 119.64 1nkn h ILE 866 Ca 0.13 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1nkn h ILE 866 Cb 0.46 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1nkn h ILE 866 CO 0.02 0.41 -0.16 0.50 0.00 0.00 0.00 178.15 178.91 1nkn h LYS 867 N 0.91 -0.27 -0.45 2.37 3.64 -0.48 -1.02 116.57 121.27 1nkn h LYS 867 Ca 0.16 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1nkn h LYS 867 Cb 0.55 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1nkn h LYS 867 CO 0.03 -0.18 0.24 0.87 -2.27 0.00 0.00 179.45 178.14 1nkn h LYS 868 N -0.28 0.61 -0.15 1.90 1.57 -1.24 -0.54 116.57 118.44 1nkn h LYS 868 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nkn h LYS 868 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1nkn h LYS 868 CO -0.13 0.45 0.06 0.93 -0.57 0.00 0.00 179.45 180.19 1nkn h GLU 869 N 0.62 0.22 -0.56 3.15 5.08 -0.83 -2.00 114.58 120.25 1nkn h GLU 869 Ca 0.16 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1nkn h GLU 869 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1nkn h GLU 869 CO -0.03 0.31 0.32 -0.07 -1.00 0.00 0.00 179.01 178.54 1nkn h LEU 870 N 0.09 0.68 -0.55 1.33 3.38 -0.62 0.62 115.31 120.23 1nkn h LEU 870 Ca 0.05 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1nkn h LEU 870 Cb 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1nkn h LEU 870 CO -0.00 0.56 0.25 -0.33 0.09 0.00 0.00 178.44 179.00 1nkn h GLU 871 N 0.75 0.46 0.68 1.13 5.08 -1.01 0.27 114.58 121.94 1nkn h GLU 871 Ca 0.20 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1nkn h GLU 871 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1nkn h GLU 871 CO -0.03 0.30 -0.43 1.49 -1.00 0.00 0.00 179.01 179.34 1nkn h GLU 872 N 0.47 -1.01 -0.75 2.33 4.57 -0.64 -0.59 114.58 118.96 1nkn h GLU 872 Ca 0.26 0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.59 1nkn h GLU 872 Cb 0.22 0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 28.98 1nkn h GLU 872 CO -0.21 -0.67 0.40 1.96 -1.18 0.00 0.00 179.01 179.30 1nkn h GLN 873 N -1.05 0.67 -0.24 1.92 4.20 -0.51 -0.99 115.11 119.11 1nkn h GLN 873 Ca -0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1nkn h GLN 873 Cb 0.85 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1nkn h GLN 873 CO 0.08 0.44 0.03 -0.91 -0.67 0.00 0.00 178.83 177.80 1nkn h ASN 874 N 0.69 0.32 0.30 1.46 2.35 -0.22 0.11 115.58 120.58 1nkn h ASN 874 Ca 0.36 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.95 1nkn h ASN 874 Cb 0.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1nkn h ASN 874 CO -0.25 0.35 -0.48 0.58 -1.65 0.00 0.00 177.43 175.98 1nkn h VAL 875 N 0.34 1.34 0.02 2.81 2.07 0.18 -0.57 116.25 122.43 1nkn h VAL 875 Ca 0.08 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1nkn h VAL 875 Cb 0.19 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1nkn h VAL 875 CO 0.00 0.50 -0.01 0.74 0.02 0.00 0.00 177.57 178.83 1nkn h THR 876 N 0.18 1.33 -0.57 2.57 2.02 -0.28 -2.15 112.91 116.00 1nkn h THR 876 Ca 0.01 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.16 1nkn h THR 876 Cb 0.92 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 1nkn h THR 876 CO 0.07 0.27 0.38 -0.07 0.37 0.00 0.00 175.52 176.55 1nkn h LEU 877 N -0.49 0.55 -0.63 2.58 3.38 -0.75 -0.53 115.31 119.43 1nkn h LEU 877 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1nkn h LEU 877 Cb 0.47 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1nkn h LEU 877 CO 0.00 0.38 0.22 0.25 0.09 0.00 0.00 178.44 179.38 1nkn h LEU 878 N 0.64 0.90 -0.34 1.67 6.46 -0.97 0.35 115.31 124.02 1nkn h LEU 878 Ca 0.23 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1nkn h LEU 878 Cb 0.13 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1nkn h LEU 878 CO -0.06 0.85 -0.12 -0.33 -0.62 0.00 0.00 178.44 178.15 1nkn h GLU 879 N 0.89 0.68 -0.19 1.25 5.08 -0.58 -1.38 114.58 120.32 1nkn h GLU 879 Ca 0.21 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1nkn h GLU 879 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1nkn h GLU 879 CO -0.01 0.86 -0.13 1.96 -1.00 0.00 0.00 179.01 180.69 1nkn h GLN 880 N 0.45 0.31 -0.15 2.33 4.20 -0.87 -1.43 115.11 119.95 1nkn h GLN 880 Ca 0.08 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1nkn h GLN 880 Cb 0.64 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1nkn h GLN 880 CO 0.04 0.45 -0.56 -0.22 -0.67 0.00 0.00 178.83 177.87 1nkn h LYS 881 N 0.29 0.46 -0.18 1.46 3.64 -0.01 -2.42 116.57 119.82 1nkn h LYS 881 Ca 0.06 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1nkn h LYS 881 Cb 0.41 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1nkn h LYS 881 CO 0.02 0.90 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.88 1nkn h ASN 882 N 0.35 0.58 -0.82 4.20 -0.26 -0.62 -1.52 115.58 117.50 1nkn h ASN 882 Ca 0.00 -0.54 0.03 0.00 -0.56 0.00 0.00 56.30 55.24 1nkn h ASN 882 Cb 1.08 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 38.13 1nkn h ASN 882 CO 0.10 1.00 0.52 0.44 -1.06 0.00 0.00 177.43 178.43 1nkn h ASP 883 N 0.17 0.86 -0.53 5.81 5.19 -1.29 0.15 116.42 126.78 1nkn h ASP 883 Ca 0.01 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 1nkn h ASP 883 Cb 0.89 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1nkn h ASP 883 CO 0.07 0.59 0.15 -0.07 -3.12 0.00 0.00 179.24 176.86 1nkn h LEU 884 N 1.01 0.79 -1.28 1.55 3.38 -1.39 -1.77 115.31 117.60 1nkn h LEU 884 Ca 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nkn h LEU 884 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1nkn h LEU 884 CO -0.12 0.80 0.46 0.15 0.09 0.00 0.00 178.44 179.81 1nkn h PHE 885 N 0.74 0.90 -0.33 1.13 3.57 -0.30 -0.93 116.94 121.72 1nkn h PHE 885 Ca 0.17 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1nkn h PHE 885 Cb 0.30 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1nkn h PHE 885 CO 0.02 0.58 0.01 0.78 -2.23 0.00 0.00 178.31 177.47 1nkn h GLY 886 N 0.98 0.62 0.70 2.40 0.00 -0.18 -1.66 103.07 105.93 1nkn h GLY 886 Ca 0.26 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1nkn h GLY 886 CO -0.05 0.41 0.07 1.76 0.00 0.00 0.00 176.54 178.73 1nkn h SER 887 N 0.39 0.04 -0.47 0.19 0.02 -0.60 -1.20 113.55 111.91 1nkn h SER 887 Ca 0.10 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1nkn h SER 887 Cb 0.43 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1nkn h SER 887 CO 0.01 0.05 0.10 -0.03 -1.14 0.00 0.00 176.83 175.83 1nkn h MET 888 N 0.17 0.23 -0.37 3.45 -1.53 -1.04 0.18 114.93 116.02 1nkn h MET 888 Ca 0.13 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.42 1nkn h MET 888 Cb 0.12 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.08 1nkn h MET 888 CO -0.16 0.15 0.12 0.87 0.14 0.00 0.00 176.91 178.04 1nkn h LYS 889 N 0.24 0.27 -0.73 0.39 1.79 -0.70 0.16 116.57 117.97 1nkn h LYS 889 Ca 0.23 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1nkn h LYS 889 Cb 0.30 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 1nkn h LYS 889 CO -0.30 0.18 0.48 1.96 -1.08 0.00 0.00 179.45 180.69 1nkn h GLN 890 N 0.27 0.94 -0.61 3.15 4.20 -0.05 0.24 115.11 123.25 1nkn h GLN 890 Ca 0.17 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.88 1nkn h GLN 890 Cb 0.15 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 1nkn h GLN 890 CO -0.18 0.62 0.33 -0.07 -0.67 0.00 0.00 178.83 178.86 1nkn h LEU 891 N 0.97 0.47 -0.78 1.46 3.38 0.52 -0.09 115.31 121.24 1nkn h LEU 891 Ca 0.28 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1nkn h LEU 891 Cb -0.08 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1nkn h LEU 891 CO -0.07 0.31 0.51 -0.33 0.09 0.00 0.00 178.44 178.94 1nkn h GLU 892 N 0.61 1.04 -0.73 1.13 5.08 0.75 -0.10 114.58 122.36 1nkn h GLU 892 Ca 0.28 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1nkn h GLU 892 Cb 0.18 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1nkn h GLU 892 CO -0.18 0.70 0.43 -0.44 -1.00 0.00 0.00 179.01 178.52 1nkn h ASP 893 N 1.06 0.67 -0.64 1.42 3.32 0.84 -1.20 116.42 121.90 1nkn h ASP 893 Ca 0.29 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 1nkn h ASP 893 Cb -0.10 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1nkn h ASP 893 CO -0.06 0.44 0.09 0.50 -1.72 0.00 0.00 179.24 178.49 1nkn h LYS 894 N 0.81 1.07 -0.07 3.56 1.63 -0.10 -2.26 116.57 121.21 1nkn h LYS 894 Ca 0.32 -0.29 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1nkn h LYS 894 Cb 0.15 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1nkn h LYS 894 CO -0.16 0.99 0.04 0.28 -3.45 0.00 0.00 179.45 177.15 1nkn h VAL 895 N 1.00 1.04 -0.30 2.00 2.07 -0.07 -2.03 116.25 119.97 1nkn h VAL 895 Ca 0.20 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1nkn h VAL 895 Cb 0.44 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1nkn h VAL 895 CO 0.01 0.04 0.16 -0.08 0.02 0.00 0.00 177.57 177.72 1nkn h GLU 896 N 0.07 0.32 -0.63 1.57 4.57 -1.15 -1.69 114.58 117.65 1nkn h GLU 896 Ca 0.03 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1nkn h GLU 896 Cb 0.02 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 1nkn h GLU 896 CO -0.01 0.21 0.33 1.49 -1.18 0.00 0.00 179.01 179.86 1nkn h GLU 897 N 0.33 0.59 -0.51 1.92 4.81 -1.25 -0.51 114.58 119.96 1nkn h GLU 897 Ca 0.12 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1nkn h GLU 897 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1nkn h GLU 897 CO -0.07 0.39 0.03 -0.07 -0.73 0.00 0.00 179.01 178.56 1nkn h LEU 898 N 0.60 0.86 -1.31 1.64 4.07 -1.12 -0.22 115.31 119.84 1nkn h LEU 898 Ca 0.29 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1nkn h LEU 898 Cb 0.21 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1nkn h LEU 898 CO -0.20 0.94 0.20 -0.07 -1.08 0.00 0.00 178.44 178.23 1nkn h LEU 899 N 0.76 0.61 -0.05 1.67 4.07 -0.85 0.10 115.31 121.62 1nkn h LEU 899 Ca 0.15 -0.06 -0.25 0.00 0.08 0.00 0.00 57.88 57.80 1nkn h LEU 899 Cb 0.48 -0.16 0.02 0.00 1.08 0.00 0.00 40.66 42.08 1nkn h LEU 899 CO 0.02 0.55 -0.94 -1.28 -1.08 0.00 0.00 178.44 175.71 1nkn h SER 900 N 0.68 0.91 -0.31 -0.43 0.87 -0.76 -1.80 113.55 112.70 1nkn h SER 900 Ca 0.17 -0.70 -0.10 0.00 -1.23 0.00 0.00 61.79 59.92 1nkn h SER 900 Cb 0.12 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1nkn h SER 900 CO -0.02 1.49 -0.19 0.11 -0.53 0.00 0.00 176.83 177.69 1nkn h LYS 901 N 0.42 0.68 -0.53 2.24 1.57 -0.68 -2.42 116.57 117.84 1nkn h LYS 901 Ca -0.10 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1nkn h LYS 901 Cb 1.59 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.86 1nkn h LYS 901 CO 0.19 0.91 0.21 -0.91 -0.57 0.00 0.00 179.45 179.28 1nkn h ASN 902 N 0.43 0.69 -0.08 0.86 -0.26 -0.84 0.98 115.58 117.35 1nkn h ASN 902 Ca 0.06 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1nkn h ASN 902 Cb 0.73 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1nkn h ASN 902 CO 0.05 0.62 0.03 0.22 -1.06 0.00 0.00 177.43 177.30 1nkn h TYR 903 N 0.76 0.13 -0.74 1.19 5.03 -1.16 0.25 116.97 122.42 1nkn h TYR 903 Ca 0.18 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1nkn h TYR 903 Cb 0.15 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.35 1nkn h TYR 903 CO 0.01 0.24 0.47 1.25 -1.32 0.00 0.00 178.16 178.81 1nkn h HIS 904 N -0.02 0.95 -0.85 -3.82 2.76 -0.92 -1.32 115.15 111.94 1nkn h HIS 904 Ca 0.03 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1nkn h HIS 904 Cb 0.16 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.76 1nkn h HIS 904 CO -0.02 0.62 0.44 -0.07 -1.30 0.00 0.00 177.93 177.60 1nkn h LEU 905 N 1.01 1.08 -1.10 0.26 4.07 -0.47 -1.24 115.31 118.92 1nkn h LEU 905 Ca 0.27 -0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 1nkn h LEU 905 Cb -0.08 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.37 1nkn h LEU 905 CO -0.06 0.89 -0.33 -0.33 -1.08 0.00 0.00 178.44 177.54 1nkn h GLU 906 N 1.20 0.21 -0.09 1.13 5.08 0.32 -1.62 114.58 120.80 1nkn h GLU 906 Ca 0.30 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1nkn h GLU 906 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1nkn h GLU 906 CO -0.04 0.52 -0.51 -0.91 -1.00 0.00 0.00 179.01 177.06 1nkn h ASN 907 N 0.18 0.28 0.06 1.42 2.35 -0.63 -1.63 115.58 117.60 1nkn h ASN 907 Ca 0.02 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1nkn h ASN 907 Cb 0.68 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1nkn h ASN 907 CO 0.05 0.74 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.22 1nkn h GLU 908 N 0.20 -0.07 -0.52 0.81 4.39 -0.48 0.20 114.58 119.10 1nkn h GLU 908 Ca 0.01 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.81 1nkn h GLU 908 Cb 0.98 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.56 1nkn h GLU 908 CO 0.08 0.11 0.07 0.28 -1.16 0.00 0.00 179.01 178.39 1nkn h VAL 909 N -0.24 0.66 -0.10 3.13 2.07 -1.20 0.50 116.25 121.07 1nkn h VAL 909 Ca -0.01 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1nkn h VAL 909 Cb 0.21 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1nkn h VAL 909 CO 0.01 0.04 -0.04 0.00 0.02 0.00 0.00 177.57 177.60 1nkn h ALA 910 N 1.43 0.05 0.44 1.67 0.00 -0.94 0.34 119.26 122.25 1nkn h ALA 910 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1nkn h ALA 910 Cb 0.38 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nkn h ALA 910 CO -0.38 -0.50 -0.29 -0.09 0.00 0.00 0.00 179.25 178.00 1nkn h ARG 911 N -0.02 -0.67 -0.68 0.00 2.43 0.56 -1.32 114.38 114.68 1nkn h ARG 911 Ca 0.05 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1nkn h ARG 911 Cb 0.10 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 1nkn h ARG 911 CO -0.11 -0.45 0.39 -0.07 -1.51 0.00 0.00 179.97 178.22 1nkn h LEU 912 N -0.70 0.59 -0.62 3.80 -0.00 0.17 0.30 115.31 118.85 1nkn h LEU 912 Ca -0.05 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1nkn h LEU 912 Cb 0.58 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1nkn h LEU 912 CO 0.04 0.39 0.40 0.11 -0.00 0.00 0.00 178.44 179.37 1nkn h LYS 913 N 0.72 0.77 -0.87 1.13 1.57 -0.15 -1.19 116.57 118.55 1nkn h LYS 913 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1nkn h LYS 913 Cb 0.15 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1nkn h LYS 913 CO -0.17 0.51 0.51 -0.22 -0.57 0.00 0.00 179.45 179.51 1nkn h LYS 914 N 0.79 1.19 -0.63 3.15 3.64 -0.45 -2.01 116.57 122.25 1nkn h LYS 914 Ca 0.24 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1nkn h LYS 914 Cb -0.04 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1nkn h LYS 914 CO -0.07 0.85 0.33 1.25 -2.27 0.00 0.00 179.45 179.54 1nkn h LEU 915 N 1.20 0.78 -0.49 5.20 6.46 -0.22 -2.35 115.31 125.89 1nkn h LEU 915 Ca 0.31 -0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.86 1nkn h LEU 915 Cb -0.02 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1nkn h LEU 915 CO -0.06 0.64 -0.31 0.58 -0.62 0.00 0.00 178.44 178.68 1nkn h VAL 916 N 0.88 1.27 0.00 1.05 2.07 -0.56 -3.04 116.25 117.92 1nkn h VAL 916 Ca 0.22 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1nkn h VAL 916 Cb 0.05 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1nkn h VAL 916 CO -0.03 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.66 1nkn n GLY 917 N -0.01 -0.88 0.78 2.17 0.00 -0.85 -5.12 105.19 101.28 1nkn n GLY 917 Ca -0.01 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1nkn n GLY 917 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50