#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1e n ASP 835 N 0.00 -2.09 -0.25 7.83 5.68 -1.26 -4.65 116.55 121.80 3n1e n ASP 835 Ca 0.00 -1.04 -0.04 0.00 -0.50 0.00 0.00 54.79 53.21 3n1e n ASP 835 Cb 0.00 -0.85 0.07 0.00 -1.14 0.00 0.00 41.12 39.20 3n1e n ASP 835 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3n1e h GLN 836 N 0.00 0.86 -0.52 0.11 4.20 -2.06 -1.62 115.11 116.09 3n1e h GLN 836 Ca -0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 3n1e h GLN 836 Cb 1.07 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3n1e h GLN 836 CO 0.23 0.57 0.30 2.35 -0.67 0.00 0.00 178.83 181.60 3n1e h TRP 837 N 0.89 0.69 -0.85 2.96 2.91 -2.00 -1.81 115.95 118.74 3n1e h TRP 837 Ca 0.28 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 3n1e h TRP 837 Cb -0.01 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.38 3n1e h TRP 837 CO -0.04 0.50 0.52 1.03 -1.03 0.00 0.00 178.44 179.42 3n1e h SER 838 N 0.69 1.01 -0.39 2.65 0.87 -1.78 -2.01 113.55 114.60 3n1e h SER 838 Ca 0.18 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3n1e h SER 838 Cb 0.02 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3n1e h SER 838 CO -0.03 0.77 -0.04 0.24 -0.53 0.00 0.00 176.83 177.25 3n1e h MET 839 N 1.17 0.80 -0.74 2.24 2.86 -1.09 -1.74 114.93 118.43 3n1e h MET 839 Ca 0.31 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3n1e h MET 839 Cb -0.06 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 3n1e h MET 839 CO -0.06 0.83 0.47 1.25 1.06 0.00 0.00 176.91 180.46 3n1e h LEU 840 N 0.74 0.77 -0.69 1.22 5.85 -0.62 0.10 115.31 122.68 3n1e h LEU 840 Ca 0.14 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 3n1e h LEU 840 Cb 0.50 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3n1e h LEU 840 CO 0.03 0.53 -0.32 0.03 -0.34 0.00 0.00 178.44 178.37 3n1e h ARG 841 N 0.91 0.66 -0.33 1.25 3.08 -1.12 -0.22 114.38 118.61 3n1e h ARG 841 Ca 0.30 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3n1e h ARG 841 Cb 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3n1e h ARG 841 CO -0.11 0.89 0.15 0.45 -1.07 0.00 0.00 179.97 180.28 3n1e h HIS 842 N 0.56 0.49 -0.45 3.04 3.86 -0.76 -2.32 115.15 119.58 3n1e h HIS 842 Ca 0.06 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 3n1e h HIS 842 Cb 0.82 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 3n1e h HIS 842 CO 0.04 0.44 0.02 0.74 0.86 0.00 0.00 177.93 180.02 3n1e h PHE 843 N 0.40 0.75 -0.65 2.45 0.04 -0.65 -1.86 116.94 117.42 3n1e h PHE 843 Ca 0.11 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3n1e h PHE 843 Cb 0.14 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3n1e h PHE 843 CO -0.01 0.69 0.42 -0.44 -0.60 0.00 0.00 178.31 178.37 3n1e h ASP 844 N 0.68 0.73 -0.35 2.17 3.32 -0.91 -1.35 116.42 120.71 3n1e h ASP 844 Ca 0.14 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3n1e h ASP 844 Cb 0.39 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3n1e h ASP 844 CO 0.01 0.52 0.09 0.45 -1.72 0.00 0.00 179.24 178.60 3n1e h HIS 845 N 0.86 0.58 -0.45 4.55 3.86 -1.12 -2.61 115.15 120.83 3n1e h HIS 845 Ca 0.24 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 59.25 3n1e h HIS 845 Cb -0.08 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 3n1e h HIS 845 CO -0.03 0.58 -0.23 0.82 0.86 0.00 0.00 177.93 179.93 3n1e h ILE 846 N 0.42 1.27 -0.89 2.45 1.08 -1.17 -1.89 117.51 118.77 3n1e h ILE 846 Ca 0.11 -1.39 0.13 0.00 -0.39 0.00 0.00 64.86 63.32 3n1e h ILE 846 Cb 0.29 1.16 -0.09 0.00 -3.07 0.00 0.00 36.82 35.12 3n1e h ILE 846 CO -0.00 0.47 0.51 0.74 -0.69 0.00 0.00 178.15 179.19 3n1e h THR 847 N 0.81 0.84 -0.44 -0.27 2.02 -1.20 -1.85 112.91 112.81 3n1e h THR 847 Ca 0.10 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.03 3n1e h THR 847 Cb 0.80 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3n1e h THR 847 CO 0.07 0.14 0.26 0.50 0.37 0.00 0.00 175.52 176.86 3n1e h LYS 848 N 0.79 0.51 0.08 6.66 3.64 -0.95 -0.63 116.57 126.67 3n1e h LYS 848 Ca 0.46 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.83 3n1e h LYS 848 Cb 0.54 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3n1e h LYS 848 CO -0.30 0.34 -0.18 0.22 -2.27 0.00 0.00 179.45 177.26 3n1e h ASP 849 N 0.53 -0.50 -0.48 4.20 1.82 -1.06 0.21 116.42 121.14 3n1e h ASP 849 Ca 0.17 0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.93 3n1e h ASP 849 Cb 0.00 0.19 -0.05 0.00 0.68 0.00 0.00 39.33 40.15 3n1e h ASP 849 CO -0.08 -0.25 0.18 1.88 -1.61 0.00 0.00 179.24 179.37 3n1e h TYR 850 N -0.33 0.33 -0.78 0.28 0.05 -1.37 -2.29 116.97 112.86 3n1e h TYR 850 Ca 0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3n1e h TYR 850 Cb 0.36 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 3n1e h TYR 850 CO -0.19 0.12 0.45 0.45 -1.05 0.00 0.00 178.16 177.95 3n1e h HIS 851 N 0.37 1.04 -0.94 4.88 3.86 -0.54 -1.44 115.15 122.38 3n1e h HIS 851 Ca 0.22 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3n1e h HIS 851 Cb 0.21 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 3n1e h HIS 851 CO -0.15 0.71 0.61 -0.44 0.86 0.00 0.00 177.93 179.53 3n1e h ASP 852 N 1.07 1.09 -0.32 2.45 3.32 -0.34 0.27 116.42 123.96 3n1e h ASP 852 Ca 0.28 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3n1e h ASP 852 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3n1e h ASP 852 CO -0.05 0.80 0.07 -0.74 -1.72 0.00 0.00 179.24 177.60 3n1e h HIS 853 N 1.28 0.54 -0.56 4.55 2.76 -1.04 -2.14 115.15 120.53 3n1e h HIS 853 Ca 0.34 -0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 3n1e h HIS 853 Cb -0.13 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 3n1e h HIS 853 CO -0.00 0.58 0.05 0.82 -1.30 0.00 0.00 177.93 178.07 3n1e h ILE 854 N 0.35 1.25 -0.74 6.26 2.04 -0.91 -2.51 117.51 123.26 3n1e h ILE 854 Ca 0.10 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3n1e h ILE 854 Cb 0.31 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3n1e h ILE 854 CO 0.00 0.37 0.44 0.00 0.00 0.00 0.00 178.15 178.96 3n1e h ALA 855 N 1.18 0.94 0.15 1.87 0.00 -0.78 0.44 119.26 123.07 3n1e h ALA 855 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3n1e h ALA 855 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3n1e h ALA 855 CO 0.02 0.41 -0.07 1.49 0.00 0.00 0.00 179.25 181.09 3n1e h GLU 856 N 1.01 -0.20 -0.64 0.00 4.81 -1.12 -1.57 114.58 116.88 3n1e h GLU 856 Ca 0.26 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3n1e h GLU 856 Cb -0.03 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3n1e h GLU 856 CO -0.05 -0.04 0.29 0.82 -0.73 0.00 0.00 179.01 179.29 3n1e h ILE 857 N -0.32 1.23 -0.12 2.32 2.04 -1.35 -2.69 117.51 118.62 3n1e h ILE 857 Ca -0.02 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3n1e h ILE 857 Cb 0.25 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3n1e h ILE 857 CO 0.03 0.27 0.07 -1.28 0.00 0.00 0.00 178.15 177.24 3n1e h SER 858 N 0.88 0.15 -0.87 1.72 0.87 -0.88 -0.95 113.55 114.47 3n1e h SER 858 Ca 0.22 -0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 3n1e h SER 858 Cb 0.15 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 3n1e h SER 858 CO -0.02 0.16 0.53 0.00 -0.53 0.00 0.00 176.83 176.97 3n1e h ALA 859 N 0.99 1.23 -0.44 6.23 0.00 -1.22 0.17 119.26 126.22 3n1e h ALA 859 Ca 0.04 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3n1e h ALA 859 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3n1e h ALA 859 CO -0.01 0.22 -0.22 0.87 0.00 0.00 0.00 179.25 180.12 3n1e h LYS 860 N 0.92 0.90 -0.13 0.00 1.57 -1.12 -1.10 116.57 117.62 3n1e h LYS 860 Ca 0.40 -0.37 -0.22 0.00 -1.87 0.00 0.00 60.65 58.58 3n1e h LYS 860 Cb 0.27 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3n1e h LYS 860 CO -0.21 1.02 -0.81 -0.07 -0.57 0.00 0.00 179.45 178.82 3n1e h LEU 861 N 0.78 0.89 -0.94 2.94 3.38 -0.52 -2.61 115.31 119.23 3n1e h LEU 861 Ca 0.10 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3n1e h LEU 861 Cb 0.77 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3n1e h LEU 861 CO 0.06 1.39 0.59 0.58 0.09 0.00 0.00 178.44 181.15 3n1e h VAL 862 N 0.49 1.25 -0.42 1.22 2.07 -0.63 -2.55 116.25 117.69 3n1e h VAL 862 Ca -0.06 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 3n1e h VAL 862 Cb 1.43 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3n1e h VAL 862 CO 0.16 0.26 -0.05 0.00 0.02 0.00 0.00 177.57 177.96 3n1e h ALA 863 N 1.32 1.13 -0.37 1.67 0.00 -1.06 0.28 119.26 122.25 3n1e h ALA 863 Ca 0.34 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3n1e h ALA 863 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3n1e h ALA 863 CO -0.07 0.55 0.23 0.82 0.00 0.00 0.00 179.25 180.78 3n1e h ILE 864 N 0.65 1.07 -0.45 0.00 2.04 -1.26 -1.36 117.51 118.20 3n1e h ILE 864 Ca 0.12 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 3n1e h ILE 864 Cb 0.48 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3n1e h ILE 864 CO 0.02 0.08 -0.06 0.24 0.00 0.00 0.00 178.15 178.44 3n1e h MET 865 N 0.47 0.84 -0.68 2.37 2.86 -1.04 -2.52 114.93 117.23 3n1e h MET 865 Ca 0.14 -0.30 0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3n1e h MET 865 Cb -0.03 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.50 3n1e h MET 865 CO -0.05 0.92 0.32 0.22 1.06 0.00 0.00 176.91 179.38 3n1e h ASP 866 N 0.68 0.39 -0.51 1.22 3.58 -0.26 0.15 116.42 121.67 3n1e h ASP 866 Ca 0.12 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.51 3n1e h ASP 866 Cb 0.58 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 3n1e h ASP 866 CO 0.03 0.22 -0.16 0.28 -2.88 0.00 0.00 179.24 176.73 3n1e h SER 867 N 0.54 1.03 0.05 2.28 0.02 -1.12 -0.78 113.55 115.57 3n1e h SER 867 Ca 0.34 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3n1e h SER 867 Cb 0.38 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3n1e h SER 867 CO -0.28 1.17 -0.07 0.25 -1.14 0.00 0.00 176.83 176.75 3n1e h LEU 868 N 0.89 -0.19 -0.83 5.07 5.85 -1.02 -1.29 115.31 123.78 3n1e h LEU 868 Ca 0.13 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3n1e h LEU 868 Cb 0.74 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3n1e h LEU 868 CO 0.06 -0.11 0.53 -0.26 -0.34 0.00 0.00 178.44 178.32 3n1e h PHE 869 N -0.15 1.06 -0.27 1.25 0.04 -0.54 -0.16 116.94 118.18 3n1e h PHE 869 Ca 0.01 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.85 3n1e h PHE 869 Cb 0.16 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 3n1e h PHE 869 CO -0.12 0.68 -0.03 0.22 -0.60 0.00 0.00 178.31 178.47 3n1e h ASP 870 N 1.13 -0.16 -0.22 2.17 3.58 -1.00 -0.92 116.42 121.00 3n1e h ASP 870 Ca 0.30 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 3n1e h ASP 870 Cb -0.10 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 3n1e h ASP 870 CO -0.06 -0.05 0.09 0.50 -2.88 0.00 0.00 179.24 176.84 3n1e h LYS 871 N 0.05 0.32 0.03 0.28 3.64 -0.76 -2.54 116.57 117.58 3n1e h LYS 871 Ca 0.13 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.23 3n1e h LYS 871 Cb 0.18 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3n1e h LYS 871 CO -0.24 0.37 -0.87 -0.07 -2.27 0.00 0.00 179.45 176.37 3n1e h LEU 872 N 0.21 0.71 -0.70 5.20 3.38 -0.98 -3.31 115.31 119.81 3n1e h LEU 872 Ca 0.07 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 3n1e h LEU 872 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3n1e h LEU 872 CO -0.01 1.40 -0.25 -0.07 0.09 0.00 0.00 178.44 179.61 3n1e h LEU 873 N 0.10 0.00 -1.68 1.67 3.38 -1.26 -2.90 115.31 114.62 3n1e h LEU 873 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3n1e h LEU 873 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3n1e h LEU 873 CO 0.17 0.25 0.00 0.28 0.09 0.00 0.00 178.44 179.23 3n1e h SER 874 N 0.00 0.00 -0.19 -0.43 0.02 -1.53 -1.91 113.55 109.51 3n1e h SER 874 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n1e h SER 874 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3n1e h SER 874 CO 0.03 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.01 3n1e n LYS 875 N -2.88 1.97 -2.33 3.45 5.02 -1.10 -5.00 118.16 117.29 3n1e n LYS 875 Ca -0.00 -1.87 -0.41 0.00 -2.02 0.00 0.00 58.31 54.01 3n1e n LYS 875 Cb 0.22 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 3n1e n LYS 875 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3n1e s TYR 876 N -1.42 3.38 0.01 2.13 5.04 -0.72 -5.04 117.35 120.73 3n1e s TYR 876 Ca 0.27 1.36 0.06 0.00 -2.44 0.00 0.00 57.07 56.32 3n1e s TYR 876 Cb 0.17 -3.48 -0.02 0.00 0.35 0.00 0.00 41.96 38.98 3n1e s TYR 876 CO 0.25 -1.41 -0.18 -1.21 -1.34 0.00 0.00 175.55 171.66 3n1e s GLU 877 N -0.14 1.32 -0.30 4.97 2.02 -1.26 -5.04 118.70 120.26 3n1e s GLU 877 Ca 0.54 -0.74 -0.26 0.00 0.02 0.00 0.00 54.97 54.53 3n1e s GLU 877 Cb -0.34 -1.33 0.01 0.00 0.10 0.00 0.00 34.13 32.57 3n1e s GLU 877 CO 0.37 0.35 0.92 0.08 0.02 0.00 0.00 175.26 177.00 3n1e s VAL 878 N -0.60 4.68 -0.00 2.63 1.01 -1.26 -4.97 120.40 121.88 3n1e s VAL 878 Ca 0.06 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 3n1e s VAL 878 Cb -0.07 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.14 3n1e s VAL 878 CO 0.00 -0.33 0.83 -1.59 0.00 0.00 0.00 175.10 174.01 3n1e s LYS 879 N 3.24 0.90 0.51 2.72 -2.85 -1.26 -5.09 119.74 117.91 3n1e s LYS 879 Ca 0.38 -0.20 -0.19 0.00 -1.00 0.00 0.00 55.97 54.97 3n1e s LYS 879 Cb -0.13 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 35.98 3n1e s LYS 879 CO 0.13 -0.37 1.03 0.00 0.10 0.00 0.00 175.35 176.24 3n1e s ALA 880 N -2.71 2.87 0.44 0.59 0.00 -1.26 -4.48 121.76 117.21 3n1e s ALA 880 Ca 0.01 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3n1e s ALA 880 Cb -0.01 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 3n1e s ALA 880 CO -0.06 -0.40 0.81 -1.25 0.00 0.00 0.00 175.76 174.86 3n1e s PRO 881 N -3.54 3.76 0.04 0.00 0.04 -1.26 -5.13 135.00 128.91 3n1e s PRO 881 Ca 0.65 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.26 3n1e s PRO 881 Cb -0.15 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3n1e s PRO 881 CO 0.25 -0.11 -0.17 0.14 0.04 0.00 0.00 177.00 177.15 3n1e s VAL 882 N -2.49 2.87 0.52 -0.36 -7.23 -1.26 -3.62 120.40 108.83 3n1e s VAL 882 Ca 0.52 -1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 59.35 3n1e s VAL 882 Cb -0.10 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.56 3n1e s VAL 882 CO 0.34 0.35 1.12 -2.16 -0.31 0.00 0.00 175.10 174.44 3n1e s PRO 883 N -1.42 3.50 0.59 4.82 0.04 -1.26 -5.04 135.00 136.23 3n1e s PRO 883 Ca 0.15 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 3n1e s PRO 883 Cb -0.11 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3n1e s PRO 883 CO 0.05 -0.72 1.03 -1.54 0.04 0.00 0.00 177.00 175.86 3n1e s SER 884 N -1.73 6.02 0.32 6.66 1.04 -1.24 -4.84 113.70 119.93 3n1e s SER 884 Ca 0.70 1.66 0.05 0.00 0.48 0.00 0.00 55.95 58.84 3n1e s SER 884 Cb -0.24 -2.51 0.69 0.00 0.10 0.00 0.00 66.02 64.06 3n1e s SER 884 CO 0.27 -1.00 1.84 -0.65 0.98 0.00 0.00 173.24 174.68 3n1e h PRO 885 N 0.29 0.82 0.04 4.02 0.11 -1.98 0.05 132.00 135.34 3n1e h PRO 885 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3n1e h PRO 885 Cb 1.20 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3n1e h PRO 885 CO 0.59 0.54 -0.15 0.00 -0.21 0.00 0.00 178.00 178.77 3n1e h PHE 887 N -0.28 0.76 -0.95 0.00 -1.00 -1.81 -1.31 116.94 112.35 3n1e h PHE 887 Ca 0.04 -0.17 0.03 0.00 2.81 0.00 0.00 57.97 60.67 3n1e h PHE 887 Cb 0.32 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.65 3n1e h PHE 887 CO -0.19 0.85 0.63 0.00 -1.61 0.00 0.00 178.31 177.99 3n1e h ARG 888 N 0.58 1.20 -0.22 1.51 3.08 -0.76 -0.44 114.38 119.33 3n1e h ARG 888 Ca 0.08 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3n1e h ARG 888 Cb 0.73 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3n1e h ARG 888 CO 0.06 0.79 -0.29 -0.97 -1.07 0.00 0.00 179.97 178.49 3n1e h ASN 889 N 1.23 0.63 -0.35 7.04 -0.00 -0.72 -0.71 115.58 122.70 3n1e h ASN 889 Ca 0.37 -0.51 0.07 0.00 -0.00 0.00 0.00 56.30 56.24 3n1e h ASN 889 Cb -0.04 -0.18 -0.07 0.00 -0.00 0.00 0.00 38.32 38.03 3n1e h ASN 889 CO -0.10 1.01 -0.15 0.40 -0.00 0.00 0.00 177.43 178.59 3n1e h ILE 890 N 0.26 0.52 -0.69 2.57 2.04 -1.04 -1.62 117.51 119.55 3n1e h ILE 890 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3n1e h ILE 890 Cb 0.86 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3n1e h ILE 890 CO 0.07 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.49 3n1e h LYS 892 N 0.98 0.40 -0.29 0.00 3.64 -0.76 -1.35 116.57 119.18 3n1e h LYS 892 Ca 0.23 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.42 3n1e h LYS 892 Cb 0.21 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3n1e h LYS 892 CO -0.02 0.26 -0.49 1.96 -2.27 0.00 0.00 179.45 178.89 3n1e h GLN 893 N 0.41 0.81 -0.54 1.90 1.08 -0.91 -2.04 115.11 115.81 3n1e h GLN 893 Ca 0.28 -0.48 0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3n1e h GLN 893 Cb 0.33 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 3n1e h GLN 893 CO -0.28 1.11 0.35 1.98 -0.95 0.00 0.00 178.83 181.04 3n1e h MET 894 N 0.63 0.68 -0.13 1.46 4.05 -1.04 -0.57 114.93 120.01 3n1e h MET 894 Ca 0.03 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3n1e h MET 894 Cb 1.07 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 3n1e h MET 894 CO 0.11 0.45 0.05 1.15 0.23 0.00 0.00 176.91 178.90 3n1e h THR 895 N 0.70 1.15 -0.90 -0.77 2.02 -1.16 0.25 112.91 114.20 3n1e h THR 895 Ca 0.21 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3n1e h THR 895 Cb -0.04 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3n1e h THR 895 CO -0.07 0.14 0.52 0.11 0.37 0.00 0.00 175.52 176.59 3n1e h LYS 896 N 0.05 1.24 -0.36 6.66 1.79 -1.14 -0.69 116.57 124.12 3n1e h LYS 896 Ca 0.04 -0.13 -0.15 0.00 -2.18 0.00 0.00 60.65 58.23 3n1e h LYS 896 Cb 0.17 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3n1e h LYS 896 CO -0.00 0.89 -0.38 1.98 -1.08 0.00 0.00 179.45 180.86 3n1e h MET 897 N 1.26 0.85 -0.82 3.15 4.05 -0.93 -2.52 114.93 119.97 3n1e h MET 897 Ca 0.32 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 3n1e h MET 897 Cb -0.01 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 3n1e h MET 897 CO -0.06 1.08 0.46 1.25 0.23 0.00 0.00 176.91 179.88 3n1e h HIS 898 N 0.70 1.11 -0.69 1.39 -0.00 -0.58 -0.72 115.15 116.36 3n1e h HIS 898 Ca 0.06 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 3n1e h HIS 898 Cb 0.95 -0.36 -0.06 0.00 -0.00 0.00 0.00 27.41 27.94 3n1e h HIS 898 CO 0.06 0.77 0.39 0.93 -0.00 0.00 0.00 177.93 180.07 3n1e h GLU 899 N 1.14 0.69 -0.05 5.26 5.08 -0.88 0.44 114.58 126.26 3n1e h GLU 899 Ca 0.29 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3n1e h GLU 899 Cb 0.01 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3n1e h GLU 899 CO -0.05 0.46 -0.04 0.00 -1.00 0.00 0.00 179.01 178.37 3n1e h ALA 900 N 1.36 0.07 -0.37 3.43 0.00 -1.12 -3.14 119.26 119.49 3n1e h ALA 900 Ca 0.31 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3n1e h ALA 900 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3n1e h ALA 900 CO -0.19 -0.15 -0.15 0.82 0.00 0.00 0.00 179.25 179.58 3n1e h ILE 901 N -0.31 1.28 -0.42 0.00 2.04 -0.89 -3.15 117.51 116.06 3n1e h ILE 901 Ca 0.01 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 3n1e h ILE 901 Cb 0.53 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3n1e h ILE 901 CO 0.01 0.42 0.03 0.15 0.00 0.00 0.00 178.15 178.76 3n1e h PHE 902 N 0.55 0.69 -0.08 1.37 3.57 -0.20 -0.22 116.94 122.63 3n1e h PHE 902 Ca 0.09 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 3n1e h PHE 902 Cb 0.69 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3n1e h PHE 902 CO 0.06 0.64 -0.26 0.22 -2.23 0.00 0.00 178.31 176.73 3n1e h ASP 903 N 0.63 0.13 0.01 0.41 1.82 -1.55 -3.36 116.42 114.52 3n1e h ASP 903 Ca 0.13 -0.04 -0.38 0.00 -0.39 0.00 0.00 57.03 56.36 3n1e h ASP 903 Cb 0.35 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.27 3n1e h ASP 903 CO 0.01 0.40 -2.09 -0.11 -1.61 0.00 0.00 179.24 175.84 3n1e n LEU 904 N -4.18 2.11 -4.95 2.28 7.94 -0.36 -5.01 117.00 114.84 3n1e n LEU 904 Ca -0.01 0.30 -0.24 0.00 -1.11 0.00 0.00 56.01 54.95 3n1e n LEU 904 Cb 0.35 -0.90 0.01 0.00 0.53 0.00 0.00 43.42 43.40 3n1e n LEU 904 CO 0.39 0.55 0.30 -0.76 -1.11 0.00 0.00 177.39 176.76 3n1e s LEU 905 N -7.46 3.67 0.57 -1.96 1.43 -0.24 -5.07 118.68 109.63 3n1e s LEU 905 Ca -0.34 0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 3n1e s LEU 905 Cb 0.11 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 3n1e s LEU 905 CO 0.56 -0.66 1.36 -2.84 0.23 0.00 0.00 176.35 175.00 3n1e s PRO 906 N -4.56 2.99 0.24 1.29 0.02 -1.26 -4.83 135.00 128.89 3n1e s PRO 906 Ca 0.47 2.23 -0.05 0.00 0.02 0.00 0.00 61.00 63.67 3n1e s PRO 906 Cb -0.10 -2.17 0.33 0.00 0.02 0.00 0.00 34.50 32.58 3n1e s PRO 906 CO 0.39 -1.30 1.86 1.49 -0.33 0.00 0.00 177.00 179.10 3n1e h GLU 907 N 1.25 0.99 -0.27 5.54 4.81 -1.97 -1.61 114.58 123.31 3n1e h GLU 907 Ca -0.51 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 3n1e h GLU 907 Cb 1.31 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3n1e h GLU 907 CO 0.56 0.65 -0.01 1.49 -0.73 0.00 0.00 179.01 180.98 3n1e h GLU 908 N 1.02 0.41 -0.40 1.92 4.81 -1.98 -2.12 114.58 118.24 3n1e h GLU 908 Ca 0.38 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3n1e h GLU 908 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3n1e h GLU 908 CO -0.16 0.44 -0.10 1.96 -0.73 0.00 0.00 179.01 180.42 3n1e h GLN 909 N 0.40 0.78 -0.44 1.92 1.08 -1.69 -2.29 115.11 114.86 3n1e h GLN 909 Ca 0.09 -0.30 0.05 0.00 -1.45 0.00 0.00 58.65 57.04 3n1e h GLN 909 Cb 0.28 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 3n1e h GLN 909 CO 0.01 0.91 0.17 1.15 -0.95 0.00 0.00 178.83 180.12 3n1e h THR 910 N 0.59 0.89 -0.28 -0.54 2.02 -1.06 0.45 112.91 114.98 3n1e h THR 910 Ca 0.10 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.21 3n1e h THR 910 Cb 0.63 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3n1e h THR 910 CO 0.04 0.06 -0.00 1.56 0.37 0.00 0.00 175.52 177.55 3n1e h GLN 911 N 0.35 0.08 -0.48 6.66 4.20 -1.35 -0.07 115.11 124.50 3n1e h GLN 911 Ca 0.20 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3n1e h GLN 911 Cb 0.17 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3n1e h GLN 911 CO -0.19 0.05 -0.03 0.52 -0.67 0.00 0.00 178.83 178.51 3n1e h MET 912 N 0.08 0.82 -0.48 1.46 2.86 -1.12 -2.04 114.93 116.51 3n1e h MET 912 Ca 0.13 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3n1e h MET 912 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3n1e h MET 912 CO -0.23 0.84 0.16 1.25 1.06 0.00 0.00 176.91 180.00 3n1e h LEU 913 N 0.75 0.69 -1.06 1.22 5.85 -0.50 -2.59 115.31 119.67 3n1e h LEU 913 Ca 0.14 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3n1e h LEU 913 Cb 0.50 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3n1e h LEU 913 CO 0.03 0.70 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.26 3n1e h PHE 914 N 0.64 0.00 -0.64 1.25 0.04 -0.79 0.98 116.94 118.42 3n1e h PHE 914 Ca 0.16 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 3n1e h PHE 914 Cb 0.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3n1e h PHE 914 CO 0.01 0.30 0.17 1.25 -0.60 0.00 0.00 178.31 179.44 3n1e h LEU 915 N 0.00 0.93 -0.23 1.54 5.85 -1.10 0.89 115.31 123.20 3n1e h LEU 915 Ca -0.00 -0.18 -0.20 0.00 0.84 0.00 0.00 57.88 58.34 3n1e h LEU 915 Cb 0.80 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3n1e h LEU 915 CO 0.04 0.89 -0.64 0.03 -0.34 0.00 0.00 178.44 178.43 3n1e h ARG 916 N 0.95 0.84 -0.41 1.25 3.08 -0.96 -1.84 114.38 117.29 3n1e h ARG 916 Ca 0.21 -0.60 0.02 0.00 0.07 0.00 0.00 59.98 59.68 3n1e h ARG 916 Cb 0.32 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3n1e h ARG 916 CO -0.00 1.22 0.24 0.82 -1.07 0.00 0.00 179.97 181.17 3n1e h ILE 917 N 0.61 1.03 -0.64 2.04 2.04 -0.64 -2.19 117.51 119.76 3n1e h ILE 917 Ca -0.01 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3n1e h ILE 917 Cb 1.26 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3n1e h ILE 917 CO 0.14 0.09 0.42 -1.13 0.00 0.00 0.00 178.15 177.67 3n1e h ASN 918 N 0.48 0.69 -0.68 1.72 -1.24 -0.77 -1.61 115.58 114.18 3n1e h ASN 918 Ca 0.17 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 3n1e h ASN 918 Cb 0.02 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.87 3n1e h ASN 918 CO -0.08 0.49 0.17 0.00 -1.29 0.00 0.00 177.43 176.72 3n1e h ALA 919 N 1.62 0.90 -0.04 1.57 0.00 -0.75 -0.66 119.26 121.91 3n1e h ALA 919 Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n1e h ALA 919 Cb -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3n1e h ALA 919 CO -0.06 0.62 0.02 1.03 0.00 0.00 0.00 179.25 180.86 3n1e h SER 920 N 1.03 0.04 -0.41 0.00 0.87 -0.83 -1.85 113.55 112.41 3n1e h SER 920 Ca 0.21 -0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 3n1e h SER 920 Cb 0.37 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 3n1e h SER 920 CO 0.00 0.12 -0.03 0.22 -0.53 0.00 0.00 176.83 176.61 3n1e h TYR 921 N -0.04 -0.08 -0.86 2.24 5.03 -1.09 -1.54 116.97 120.64 3n1e h TYR 921 Ca 0.01 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 3n1e h TYR 921 Cb 0.09 0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.43 3n1e h TYR 921 CO -0.05 -0.11 0.52 0.87 -1.32 0.00 0.00 178.16 178.07 3n1e h LYS 922 N 0.07 1.16 -0.47 1.82 1.57 -0.98 0.98 116.57 120.71 3n1e h LYS 922 Ca 0.20 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3n1e h LYS 922 Cb 0.30 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3n1e h LYS 922 CO -0.36 0.81 0.23 -0.07 -0.57 0.00 0.00 179.45 179.49 3n1e h LEU 923 N 1.18 0.61 -0.39 2.94 -0.00 -0.71 0.28 115.31 119.21 3n1e h LEU 923 Ca 0.31 -0.12 -0.15 0.00 -0.00 0.00 0.00 57.88 57.91 3n1e h LEU 923 Cb -0.05 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 3n1e h LEU 923 CO -0.06 0.56 -0.34 0.45 -0.00 0.00 0.00 178.44 179.06 3n1e h HIS 924 N 0.62 1.09 -0.48 1.13 3.86 -1.01 -2.28 115.15 118.08 3n1e h HIS 924 Ca 0.16 -0.32 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 3n1e h HIS 924 Cb 0.11 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3n1e h HIS 924 CO -0.01 1.13 -0.07 1.25 0.86 0.00 0.00 177.93 181.10 3n1e h LEU 925 N 0.74 0.89 -0.51 2.43 5.85 -0.65 -1.74 115.31 122.33 3n1e h LEU 925 Ca 0.07 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3n1e h LEU 925 Cb 0.93 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3n1e h LEU 925 CO 0.09 1.02 0.22 0.50 -0.34 0.00 0.00 178.44 179.92 3n1e h LYS 926 N 0.74 0.41 -0.44 1.25 3.64 -0.88 0.10 116.57 121.39 3n1e h LYS 926 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3n1e h LYS 926 Cb 0.60 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3n1e h LYS 926 CO 0.04 0.27 0.29 -0.22 -2.27 0.00 0.00 179.45 177.56 3n1e h LYS 927 N 0.43 0.58 -0.45 1.90 3.64 -1.22 -2.03 116.57 119.42 3n1e h LYS 927 Ca 0.23 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3n1e h LYS 927 Cb 0.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3n1e h LYS 927 CO -0.20 0.39 -0.18 0.37 -2.27 0.00 0.00 179.45 177.56 3n1e h GLN 928 N 0.59 0.91 -0.83 1.90 5.75 -0.86 -1.46 115.11 121.12 3n1e h GLN 928 Ca 0.16 -0.38 -0.03 0.00 -0.15 0.00 0.00 58.65 58.25 3n1e h GLN 928 Cb -0.06 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3n1e h GLN 928 CO -0.03 1.04 0.41 -0.07 -2.65 0.00 0.00 178.83 177.52 3n1e h LEU 929 N 0.75 1.07 -0.52 -2.39 3.38 -0.88 0.39 115.31 117.11 3n1e h LEU 929 Ca 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3n1e h LEU 929 Cb 0.74 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3n1e h LEU 929 CO 0.06 0.90 0.31 0.28 0.09 0.00 0.00 178.44 180.08 3n1e h SER 930 N 1.18 0.63 -0.63 -0.43 0.02 -1.20 -1.40 113.55 111.72 3n1e h SER 930 Ca 0.29 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3n1e h SER 930 Cb 0.10 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3n1e h SER 930 CO -0.04 0.51 0.27 -0.74 -1.14 0.00 0.00 176.83 175.69 3n1e h HIS 931 N 0.70 0.96 -0.00 3.45 -0.00 -0.64 -1.93 115.15 117.69 3n1e h HIS 931 Ca 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3n1e h HIS 931 Cb -0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.11 3n1e h HIS 931 CO -0.02 0.73 -0.01 1.28 -0.00 0.00 0.00 177.93 179.90 3n1e n LEU 932 N -4.31 0.04 -3.16 0.26 4.77 0.07 -4.92 117.00 109.75 3n1e n LEU 932 Ca 0.06 0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 3n1e n LEU 932 Cb 0.16 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3n1e n LEU 932 CO 0.39 0.01 -0.03 0.59 -1.33 0.00 0.00 177.39 177.02 3n1e n ASN 933 N -1.20 -4.84 -4.66 -1.43 3.02 -0.67 -4.98 115.26 100.51 3n1e n ASN 933 Ca 0.16 -0.31 -0.38 0.00 -0.03 0.00 0.00 54.58 54.02 3n1e n ASN 933 Cb 0.22 -3.95 -0.09 0.00 -0.61 0.00 0.00 39.78 35.35 3n1e n ASN 933 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3n1e s VAL 934 N -3.03 5.27 0.30 2.41 1.01 -0.62 -5.04 120.40 120.69 3n1e s VAL 934 Ca 0.34 0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.85 3n1e s VAL 934 Cb -0.16 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3n1e s VAL 934 CO 0.41 0.28 -0.06 0.27 0.00 0.00 0.00 175.10 176.01 3n1e s ILE 935 N 1.29 1.74 -1.25 2.22 -4.36 -1.26 -4.52 121.20 115.06 3n1e s ILE 935 Ca 0.14 -2.13 -0.09 0.00 -0.26 0.00 0.00 60.65 58.30 3n1e s ILE 935 Cb -0.14 -2.52 0.19 0.00 1.25 0.00 0.00 42.46 41.23 3n1e s ILE 935 CO 0.07 -0.26 1.77 -0.46 0.24 0.00 0.00 174.94 176.30 3n1e n ASN 936 N -0.64 5.28 -0.91 4.36 6.94 -1.26 -4.35 115.26 124.68 3n1e n ASN 936 Ca -0.05 -3.13 0.08 0.00 -0.02 0.00 0.00 54.58 51.45 3n1e n ASN 936 Cb 0.64 -1.46 0.22 0.00 -2.36 0.00 0.00 39.78 36.81 3n1e n ASN 936 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3n1e n ASP 937 N 3.71 3.34 0.00 0.53 5.68 -1.26 -4.96 116.55 123.59 3n1e n ASP 937 Ca 0.37 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 3n1e n ASP 937 Cb 0.37 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3n1e n ASP 937 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n1e n GLY 938 N 0.89 0.62 3.79 6.12 0.00 -1.26 -5.03 105.19 110.31 3n1e n GLY 938 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3n1e n GLY 938 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n1e s GLY 939 N -2.00 1.68 0.38 -0.02 0.00 -1.26 -4.78 107.32 101.32 3n1e s GLY 939 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.75 3n1e s GLY 939 CO 0.00 -0.24 2.04 -0.56 0.00 0.00 0.00 173.10 174.34 3n1e h PRO 940 N -1.97 0.66 -0.31 2.90 0.13 -1.98 -0.75 132.00 130.67 3n1e h PRO 940 Ca -0.45 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 3n1e h PRO 940 Cb 1.27 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3n1e h PRO 940 CO 0.40 0.44 -0.10 1.96 -0.23 0.00 0.00 178.00 180.47 3n1e h GLN 941 N 0.67 0.61 -0.64 0.86 4.20 -1.94 -1.55 115.11 117.33 3n1e h GLN 941 Ca 0.18 -0.25 0.09 0.00 0.06 0.00 0.00 58.65 58.74 3n1e h GLN 941 Cb -0.07 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 3n1e h GLN 941 CO -0.04 0.81 0.27 -0.97 -0.67 0.00 0.00 178.83 178.24 3n1e h ASN 942 N 0.38 0.32 -0.92 1.46 -1.24 -1.68 -1.64 115.58 112.26 3n1e h ASN 942 Ca 0.07 0.07 0.09 0.00 0.71 0.00 0.00 56.30 57.24 3n1e h ASN 942 Cb 0.60 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.60 3n1e h ASN 942 CO 0.04 0.19 0.56 1.23 -1.29 0.00 0.00 177.43 178.16 3n1e h GLY 943 N 0.48 1.43 0.90 1.57 0.00 -0.72 0.64 103.07 107.38 3n1e h GLY 943 Ca 0.32 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3n1e h GLY 943 CO -0.28 0.21 -0.19 1.41 0.00 0.00 0.00 176.54 177.69 3n1e h LEU 944 N 0.96 0.63 -0.43 3.11 3.38 -0.56 -2.57 115.31 119.84 3n1e h LEU 944 Ca 0.43 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3n1e h LEU 944 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3n1e h LEU 944 CO -0.22 0.93 0.12 0.58 0.09 0.00 0.00 178.44 179.95 3n1e h VAL 945 N 0.33 1.22 -0.92 1.22 2.07 -0.93 -1.11 116.25 118.15 3n1e h VAL 945 Ca 0.05 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 66.91 3n1e h VAL 945 Cb 0.72 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3n1e h VAL 945 CO 0.05 0.27 0.56 0.74 0.02 0.00 0.00 177.57 179.21 3n1e h THR 946 N 0.55 0.95 -0.32 2.57 2.02 -0.86 0.13 112.91 117.95 3n1e h THR 946 Ca 0.14 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 3n1e h THR 946 Cb 0.28 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3n1e h THR 946 CO -0.00 0.17 -0.09 0.00 0.37 0.00 0.00 175.52 175.97 3n1e h ALA 947 N 1.48 0.45 -0.12 6.16 0.00 -1.11 -1.01 119.26 125.11 3n1e h ALA 947 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3n1e h ALA 947 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3n1e h ALA 947 CO -0.23 0.29 0.08 -0.44 0.00 0.00 0.00 179.25 178.94 3n1e h ASP 948 N 0.41 0.13 -0.46 0.00 3.32 -0.71 -2.30 116.42 116.81 3n1e h ASP 948 Ca 0.08 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3n1e h ASP 948 Cb 0.59 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3n1e h ASP 948 CO 0.03 0.09 0.26 0.58 -1.72 0.00 0.00 179.24 178.49 3n1e h VAL 949 N 0.16 1.15 -0.50 -1.35 2.07 -0.72 -1.37 116.25 115.68 3n1e h VAL 949 Ca 0.05 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3n1e h VAL 949 Cb -0.01 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3n1e h VAL 949 CO -0.02 0.16 0.13 0.00 0.02 0.00 0.00 177.57 177.87 3n1e h ALA 950 N 1.63 1.29 -0.57 1.67 0.00 -0.82 0.65 119.26 123.11 3n1e h ALA 950 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3n1e h ALA 950 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3n1e h ALA 950 CO -0.03 0.50 0.23 0.35 0.00 0.00 0.00 179.25 180.30 3n1e h PHE 951 N 0.73 0.87 0.09 0.00 3.57 -0.71 0.74 116.94 122.24 3n1e h PHE 951 Ca 0.17 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3n1e h PHE 951 Cb 0.26 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3n1e h PHE 951 CO 0.01 0.71 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.79 3n1e h TYR 952 N 0.79 -0.24 -0.39 0.41 5.03 -1.01 -1.20 116.97 120.36 3n1e h TYR 952 Ca 0.19 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.39 3n1e h TYR 952 Cb 0.21 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 3n1e h TYR 952 CO 0.01 -0.14 -0.22 1.79 -1.32 0.00 0.00 178.16 178.28 3n1e h THR 953 N -0.21 1.27 -0.31 1.81 1.35 -0.76 0.44 112.91 116.51 3n1e h THR 953 Ca 0.00 -1.32 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 3n1e h THR 953 Cb 0.20 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 3n1e h THR 953 CO -0.03 0.44 0.13 1.23 -0.25 0.00 0.00 175.52 177.04 3n1e h GLY 954 N 0.97 0.49 1.00 5.82 0.00 -0.79 -0.48 103.07 110.09 3n1e h GLY 954 Ca 0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3n1e h GLY 954 CO 0.06 0.25 0.12 3.43 0.00 0.00 0.00 176.54 180.39 3n1e h ASN 955 N 0.35 0.86 -0.21 0.19 4.21 -1.13 -2.91 115.58 116.94 3n1e h ASN 955 Ca 0.10 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.35 3n1e h ASN 955 Cb 0.17 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3n1e h ASN 955 CO -0.01 0.88 0.07 0.25 -1.29 0.00 0.00 177.43 177.33 3n1e h LEU 956 N 0.80 0.31 -0.97 1.61 5.85 -0.75 -3.00 115.31 119.16 3n1e h LEU 956 Ca 0.17 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3n1e h LEU 956 Cb 0.37 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3n1e h LEU 956 CO 0.01 0.42 0.00 1.56 -0.34 0.00 0.00 178.44 180.08 3n1e h GLN 957 N 0.18 0.00 -0.00 1.25 1.08 -1.12 -2.33 115.11 114.17 3n1e h GLN 957 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3n1e h GLN 957 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3n1e h GLN 957 CO -0.00 0.00 -0.22 0.00 -0.95 0.00 0.00 178.83 177.66 3n1e n ALA 958 N -2.07 2.88 -1.77 3.87 0.00 -1.10 -3.13 120.51 119.19 3n1e n ALA 958 Ca 0.02 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.85 3n1e n ALA 958 Cb 0.37 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 3n1e n ALA 958 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n1e s LEU 959 N -2.94 4.22 -0.04 0.00 1.43 -0.88 -4.89 118.68 115.59 3n1e s LEU 959 Ca 0.15 2.43 -0.37 0.00 -1.03 0.00 0.00 54.13 55.31 3n1e s LEU 959 Cb 0.19 -3.96 -0.15 0.00 0.03 0.00 0.00 46.19 42.29 3n1e s LEU 959 CO 0.59 -0.69 1.60 0.29 0.23 0.00 0.00 176.35 178.37 3n1e n LYS 960 N 0.16 1.51 -0.10 1.70 5.02 -1.26 -1.43 118.16 123.77 3n1e n LYS 960 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3n1e n LYS 960 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3n1e n LYS 960 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n1e n GLY 961 N 3.51 1.11 1.02 0.72 0.00 -1.26 -4.93 105.19 105.35 3n1e n GLY 961 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 3n1e n GLY 961 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n1e n LEU 962 N 0.00 3.53 -0.06 0.99 4.77 -0.51 -4.66 117.00 121.06 3n1e n LEU 962 Ca 0.00 -2.06 0.10 0.00 -0.03 0.00 0.00 56.01 54.02 3n1e n LEU 962 Cb 0.00 -0.38 0.49 0.00 -2.33 0.00 0.00 43.42 41.20 3n1e n LEU 962 CO 0.00 0.85 1.18 0.11 -1.33 0.00 0.00 177.39 178.20 3n1e h LYS 963 N 3.13 0.42 -0.26 3.23 1.79 -1.74 -2.91 116.57 120.23 3n1e h LYS 963 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3n1e h LYS 963 Cb 0.92 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3n1e h LYS 963 CO 0.02 0.28 0.00 -0.25 -1.08 0.00 0.00 179.45 178.42 3n1e n ASP 964 N -4.47 3.18 -4.72 0.86 8.00 -1.26 -4.95 116.55 113.18 3n1e n ASP 964 Ca 0.08 -1.94 -0.43 0.00 0.71 0.00 0.00 54.79 53.21 3n1e n ASP 964 Cb 0.30 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 3n1e n ASP 964 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n1e n LEU 965 N 1.32 3.89 -4.42 0.64 4.77 -1.10 -4.95 117.00 117.14 3n1e n LEU 965 Ca 0.16 1.16 -0.44 0.00 -0.03 0.00 0.00 56.01 56.87 3n1e n LEU 965 Cb 0.56 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.04 3n1e n LEU 965 CO 0.14 -0.15 -0.01 -1.81 -1.33 0.00 0.00 177.39 174.23 3n1e s ASP 966 N 0.23 6.13 0.29 -1.43 1.01 -1.26 -4.96 116.67 116.69 3n1e s ASP 966 Ca 0.63 -1.11 0.21 0.00 0.71 0.00 0.00 52.55 52.99 3n1e s ASP 966 Cb -0.55 -2.18 0.13 0.00 1.01 0.00 0.00 42.92 41.33 3n1e s ASP 966 CO 0.53 -0.56 1.32 -0.07 0.21 0.00 0.00 175.17 176.60 3n1e h LEU 967 N 8.72 0.00 -1.96 1.23 3.38 -2.00 -3.48 115.31 121.19 3n1e h LEU 967 Ca -0.28 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.15 3n1e h LEU 967 Cb 1.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 3n1e h LEU 967 CO 0.81 0.16 -0.91 0.59 0.09 0.00 0.00 178.44 179.17 3n1e n ASN 968 N -2.97 0.11 0.25 -0.43 3.02 -1.26 -4.87 115.26 109.11 3n1e n ASN 968 Ca 0.01 -1.10 0.10 0.00 -0.03 0.00 0.00 54.58 53.56 3n1e n ASN 968 Cb 0.61 -2.58 0.64 0.00 -0.61 0.00 0.00 39.78 37.84 3n1e n ASN 968 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3n1e h MET 969 N -1.82 0.00 0.00 3.52 4.05 -2.01 -2.82 114.93 115.85 3n1e h MET 969 Ca -0.64 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.78 3n1e h MET 969 Cb 1.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 3n1e h MET 969 CO 0.65 0.15 0.00 0.00 0.23 0.00 0.00 176.91 177.95 3n1e h ALA 970 N 1.85 1.00 0.00 0.39 0.00 -2.04 -1.86 119.26 118.59 3n1e h ALA 970 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n1e h ALA 970 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3n1e h ALA 970 CO 0.02 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.20 3n1e h GLU 971 N 0.00 0.00 0.00 0.00 5.08 -1.88 -2.61 114.58 115.17 3n1e h GLU 971 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n1e h GLU 971 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3n1e h GLU 971 CO 0.00 0.00 0.00 -0.84 -1.00 0.00 0.00 179.01 177.17 3n1e h ILE 972 N 0.00 0.00 0.00 3.13 3.07 -1.60 -2.80 117.51 119.31 3n1e h ILE 972 Ca 0.00 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.26 3n1e h ILE 972 Cb 0.14 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 37.55 3n1e h ILE 972 CO 0.00 0.00 -1.03 0.79 -1.05 0.00 0.00 178.15 176.86 3n1e n TRP 973 N -2.47 0.07 0.85 0.16 7.02 -0.98 -4.26 117.44 117.83 3n1e n TRP 973 Ca -0.00 0.02 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 3n1e n TRP 973 Cb 0.14 -0.20 0.41 0.00 -2.42 0.00 0.00 31.31 29.24 3n1e n TRP 973 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06