#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8r n TYR 822 N 0.00 0.00 -2.84 6.00 9.36 -1.26 -4.99 117.16 123.43 3b8r n TYR 822 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 3b8r n TYR 822 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 3b8r n TYR 822 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3b8r s ASP 823 N 0.00 6.59 0.29 2.98 -1.08 -1.26 -4.87 116.67 119.31 3b8r s ASP 823 Ca 0.00 -1.88 0.01 0.00 -0.52 0.00 0.00 52.55 50.16 3b8r s ASP 823 Cb 0.00 -2.44 0.52 0.00 -1.46 0.00 0.00 42.92 39.54 3b8r s ASP 823 CO 0.00 -1.18 1.88 0.00 0.52 0.00 0.00 175.17 176.39 3b8r h ALA 824 N 9.08 1.51 -0.68 3.66 0.00 -1.98 -1.11 119.26 129.73 3b8r h ALA 824 Ca 0.15 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.23 3b8r h ALA 824 Cb 1.02 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3b8r h ALA 824 CO 1.18 0.31 0.47 0.77 0.00 0.00 0.00 179.25 181.99 3b8r h SER 825 N 1.04 0.15 0.16 0.00 0.02 -1.93 0.33 113.55 113.32 3b8r h SER 825 Ca 0.44 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 61.05 3b8r h SER 825 Cb 0.31 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 3b8r h SER 825 CO -0.19 0.07 -2.16 1.17 -1.14 0.00 0.00 176.83 174.58 3b8r n LYS 826 N -4.40 0.67 -0.05 3.45 4.81 -0.49 -4.75 118.16 117.40 3b8r n LYS 826 Ca 0.13 0.13 -0.04 0.00 -0.87 0.00 0.00 58.31 57.66 3b8r n LYS 826 Cb 0.64 -1.62 -0.09 0.00 0.02 0.00 0.00 35.03 33.98 3b8r n LYS 826 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3b8r n TRP 827 N -2.99 0.00 -1.68 5.64 7.02 -0.79 -5.00 117.44 119.64 3b8r n TRP 827 Ca -0.30 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 55.74 3b8r n TRP 827 Cb 1.09 -0.53 -0.02 0.00 -2.42 0.00 0.00 31.31 29.43 3b8r n TRP 827 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3b8r n GLU 828 N -2.37 2.08 -4.04 -0.99 4.07 0.08 -1.10 120.64 118.37 3b8r n GLU 828 Ca -0.17 0.74 -0.18 0.00 -0.06 0.00 0.00 57.16 57.49 3b8r n GLU 828 Cb 0.81 -2.38 -0.16 0.00 -0.06 0.00 0.00 31.44 29.66 3b8r n GLU 828 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 3b8r s PHE 829 N -0.35 0.49 0.07 4.31 5.36 0.11 -4.79 117.98 123.18 3b8r s PHE 829 Ca 0.64 -0.08 -0.33 0.00 -0.96 0.00 0.00 56.93 56.20 3b8r s PHE 829 Cb -0.62 -0.49 -0.12 0.00 -0.34 0.00 0.00 43.02 41.45 3b8r s PHE 829 CO 0.53 -0.14 1.79 -2.30 -1.46 0.00 0.00 175.22 173.64 3b8r n PRO 830 N 4.01 2.44 0.19 10.12 -0.02 -1.26 -4.46 135.00 146.02 3b8r n PRO 830 Ca -0.26 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 3b8r n PRO 830 Cb 0.51 -2.74 0.75 0.00 -0.02 0.00 0.00 33.50 32.00 3b8r n PRO 830 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8r h ARG 831 N 8.15 0.00 -0.80 -0.52 3.08 -1.96 -2.17 114.38 120.16 3b8r h ARG 831 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3b8r h ARG 831 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3b8r h ARG 831 CO 0.93 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.43 3b8r n ASP 832 N -4.19 2.48 -0.16 7.04 5.75 -1.26 -2.38 116.55 123.82 3b8r n ASP 832 Ca 0.01 -2.28 0.02 0.00 -0.01 0.00 0.00 54.79 52.52 3b8r n ASP 832 Cb 0.27 -0.53 0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3b8r n ASP 832 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3b8r n ARG 833 N 0.21 0.07 -4.32 0.11 1.74 -0.81 -4.95 116.66 108.70 3b8r n ARG 833 Ca 0.09 -0.88 -0.34 0.00 -0.77 0.00 0.00 57.85 55.95 3b8r n ARG 833 Cb 0.54 -1.08 -0.11 0.00 -1.02 0.00 0.00 32.46 30.79 3b8r n ARG 833 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3b8r s LEU 834 N -0.43 3.43 -0.46 0.55 1.43 -1.00 -1.15 118.68 121.05 3b8r s LEU 834 Ca 0.05 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3b8r s LEU 834 Cb 0.03 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.55 3b8r s LEU 834 CO 0.05 0.22 0.19 -0.75 0.23 0.00 0.00 176.35 176.29 3b8r s LYS 835 N 0.07 1.82 0.11 1.70 2.20 0.43 -4.95 119.74 121.13 3b8r s LYS 835 Ca 0.01 -2.39 -0.31 0.00 -0.36 0.00 0.00 55.97 52.92 3b8r s LYS 835 Cb -0.13 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 3b8r s LYS 835 CO 0.02 -1.06 1.82 -0.51 -0.36 0.00 0.00 175.35 175.27 3b8r s LEU 836 N 0.08 4.40 0.00 5.43 1.43 -1.26 -1.76 118.68 127.00 3b8r s LEU 836 Ca 0.15 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 3b8r s LEU 836 Cb -0.24 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3b8r s LEU 836 CO -0.03 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.17 3b8r n GLY 837 N 4.24 1.50 3.82 -3.19 0.00 0.38 -4.95 105.19 106.98 3b8r n GLY 837 Ca 0.18 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3b8r n GLY 837 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8r s LYS 838 N 4.37 3.97 0.83 1.61 -2.85 -1.25 -4.68 119.74 121.73 3b8r s LYS 838 Ca 0.00 1.11 -0.11 0.00 -1.00 0.00 0.00 55.97 55.97 3b8r s LYS 838 Cb 0.00 -2.14 0.09 0.00 -2.06 0.00 0.00 37.83 33.72 3b8r s LYS 838 CO 0.00 -0.26 1.09 -2.14 0.10 0.00 0.00 175.35 174.14 3b8r s PRO 839 N -3.60 1.83 0.00 1.78 0.02 -1.26 -0.53 135.00 133.23 3b8r s PRO 839 Ca 0.62 0.84 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3b8r s PRO 839 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3b8r s PRO 839 CO 0.23 -1.85 0.00 1.28 -0.33 0.00 0.00 177.00 176.33 3b8r n LEU 840 N -3.62 0.70 -3.86 -5.54 4.77 0.59 -4.71 117.00 105.34 3b8r n LEU 840 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3b8r n LEU 840 Cb 0.55 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 3b8r n LEU 840 CO 0.55 0.12 -0.27 -0.83 -1.33 0.00 0.00 177.39 175.63 3b8r s GLY 841 N -2.71 -0.03 -0.23 -0.72 0.00 -0.74 -4.95 107.32 97.94 3b8r s GLY 841 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 3b8r s GLY 841 CO 0.00 0.10 0.09 0.50 0.00 0.00 0.00 173.10 173.78 3b8r s ARG 842 N -0.20 0.36 0.00 2.90 0.52 -1.26 -1.18 118.95 120.09 3b8r s ARG 842 Ca -0.03 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 3b8r s ARG 842 Cb -0.02 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.69 3b8r s ARG 842 CO 0.00 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 174.94 3b8r n GLY 846 N 5.15 0.00 3.25 -3.53 0.00 -1.26 -4.94 105.19 103.85 3b8r n GLY 846 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.99 3b8r n GLY 846 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3b8r s GLN 847 N 0.00 0.17 0.04 1.61 -2.07 -1.02 -4.98 119.66 113.42 3b8r s GLN 847 Ca 0.00 0.38 -0.29 0.00 -1.82 0.00 0.00 55.36 53.63 3b8r s GLN 847 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 3b8r s GLN 847 CO 0.00 -0.09 0.93 0.08 -1.32 0.00 0.00 175.29 174.89 3b8r s VAL 848 N 2.46 4.72 0.02 3.63 1.01 -0.32 -2.97 120.40 128.94 3b8r s VAL 848 Ca -0.01 1.98 0.05 0.00 0.00 0.00 0.00 61.98 63.99 3b8r s VAL 848 Cb -0.05 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3b8r s VAL 848 CO -0.15 0.25 -0.15 -0.63 0.00 0.00 0.00 175.10 174.42 3b8r s ILE 849 N 0.48 1.22 0.27 2.22 1.01 0.14 -0.30 121.20 126.24 3b8r s ILE 849 Ca 0.48 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 3b8r s ILE 849 Cb -0.22 -1.06 -0.09 0.00 0.01 0.00 0.00 42.46 41.10 3b8r s ILE 849 CO 0.27 0.15 0.85 -0.70 0.00 0.00 0.00 174.94 175.52 3b8r s GLU 850 N -0.87 4.48 0.19 2.79 2.12 0.31 0.50 118.70 128.22 3b8r s GLU 850 Ca 0.04 1.16 -0.23 0.00 0.36 0.00 0.00 54.97 56.30 3b8r s GLU 850 Cb -0.07 -2.90 0.05 0.00 0.26 0.00 0.00 34.13 31.47 3b8r s GLU 850 CO 0.01 0.36 0.68 0.00 -0.54 0.00 0.00 175.26 175.76 3b8r s ALA 851 N -1.52 -1.48 -0.15 6.30 0.00 -0.12 0.14 121.76 124.94 3b8r s ALA 851 Ca 0.46 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 3b8r s ALA 851 Cb -0.19 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3b8r s ALA 851 CO 0.23 -0.87 -0.02 -0.51 0.00 0.00 0.00 175.76 174.59 3b8r s ASP 852 N -2.80 4.97 -0.11 0.00 1.01 -0.72 0.10 116.67 119.12 3b8r s ASP 852 Ca 0.05 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.27 3b8r s ASP 852 Cb -0.03 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 3b8r s ASP 852 CO -0.05 0.20 -0.18 0.00 0.21 0.00 0.00 175.17 175.36 3b8r s ALA 853 N 0.18 2.44 -0.38 5.23 0.00 0.41 -0.42 121.76 129.20 3b8r s ALA 853 Ca -0.01 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3b8r s ALA 853 Cb -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3b8r s ALA 853 CO 0.02 0.29 0.25 -0.06 0.00 0.00 0.00 175.76 176.26 3b8r s PHE 854 N 0.27 3.24 0.00 0.00 0.40 -0.30 -1.08 117.98 120.51 3b8r s PHE 854 Ca -0.13 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 3b8r s PHE 854 Cb -0.16 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.86 3b8r s PHE 854 CO 0.07 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 175.80 3b8r n GLY 855 N 5.07 0.51 0.30 4.36 0.00 -0.94 -4.92 105.19 109.58 3b8r n GLY 855 Ca -0.12 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.23 3b8r n GLY 855 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3b8r h ILE 856 N 0.00 0.65 -3.53 -0.61 6.09 -1.78 -3.44 117.51 114.88 3b8r h ILE 856 Ca 0.00 0.00 -0.50 0.00 -1.37 0.00 0.00 64.86 62.99 3b8r h ILE 856 Cb 0.00 0.95 -0.13 0.00 0.47 0.00 0.00 36.82 38.11 3b8r h ILE 856 CO 0.00 0.00 -0.52 1.51 -3.07 0.00 0.00 178.15 176.07 3b8r s ASP 857 N -6.32 2.18 0.42 2.19 1.47 -1.26 -4.93 116.67 110.42 3b8r s ASP 857 Ca -0.05 -1.66 0.17 0.00 1.18 0.00 0.00 52.55 52.19 3b8r s ASP 857 Cb 0.16 0.48 1.07 0.00 -0.34 0.00 0.00 42.92 44.29 3b8r s ASP 857 CO 0.59 -0.95 1.88 0.11 0.68 0.00 0.00 175.17 177.48 3b8r h LYS 858 N 1.99 0.40 0.00 2.11 1.57 -2.00 -1.51 116.57 119.13 3b8r h LYS 858 Ca -0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3b8r h LYS 858 Cb 1.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3b8r h LYS 858 CO 0.51 0.27 0.04 0.25 -0.57 0.00 0.00 179.45 179.95 3b8r n THR 859 N -4.50 1.76 -1.84 -0.16 -2.24 -1.26 -4.78 114.28 101.27 3b8r n THR 859 Ca 0.18 0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 62.36 3b8r n THR 859 Cb 0.64 -1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 3b8r n THR 859 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b8r n ALA 860 N -1.48 -0.46 -3.22 6.98 0.00 -0.57 -4.92 120.51 116.85 3b8r n ALA 860 Ca -0.00 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 3b8r n ALA 860 Cb 0.05 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.21 3b8r n ALA 860 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3b8r n THR 861 N -2.47 0.00 -3.29 0.00 -2.24 -1.26 -4.49 114.28 100.53 3b8r n THR 861 Ca -0.12 -1.54 -0.38 0.00 -2.27 0.00 0.00 64.05 59.73 3b8r n THR 861 Cb 0.48 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.14 3b8r n THR 861 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b8r s ARG 863 N 0.43 0.86 0.10 0.00 3.52 -0.24 -4.97 118.95 118.65 3b8r s ARG 863 Ca 0.28 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 3b8r s ARG 863 Cb -0.16 -0.82 -0.06 0.00 -1.56 0.00 0.00 34.95 32.35 3b8r s ARG 863 CO 0.12 0.16 0.98 0.99 -0.81 0.00 0.00 175.30 176.75 3b8r s THR 864 N -0.03 4.47 0.16 4.11 2.01 -1.26 -0.45 115.64 124.66 3b8r s THR 864 Ca 0.01 2.01 -0.01 0.00 0.31 0.00 0.00 61.69 64.01 3b8r s THR 864 Cb -0.06 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 3b8r s THR 864 CO -0.00 0.29 0.08 0.68 -0.69 0.00 0.00 174.62 174.98 3b8r s VAL 865 N 0.13 0.09 -0.13 3.82 -7.23 0.12 -3.98 120.40 113.22 3b8r s VAL 865 Ca 0.48 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3b8r s VAL 865 Cb -0.24 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 3b8r s VAL 865 CO 0.30 -0.29 -0.09 0.00 -0.31 0.00 0.00 175.10 174.71 3b8r s ALA 866 N -4.07 2.79 -0.10 1.32 0.00 -0.69 -0.94 121.76 120.06 3b8r s ALA 866 Ca 0.30 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3b8r s ALA 866 Cb 0.07 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.89 3b8r s ALA 866 CO 0.06 0.29 -0.18 0.08 0.00 0.00 0.00 175.76 176.01 3b8r s VAL 867 N 0.16 1.64 -0.23 0.00 1.01 0.18 -1.42 120.40 121.74 3b8r s VAL 867 Ca -0.05 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3b8r s VAL 867 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3b8r s VAL 867 CO 0.04 0.47 0.08 -0.75 0.00 0.00 0.00 175.10 174.94 3b8r s LYS 868 N 0.71 3.81 0.16 2.72 2.20 -0.57 0.28 119.74 129.05 3b8r s LYS 868 Ca -0.12 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 3b8r s LYS 868 Cb -0.16 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3b8r s LYS 868 CO 0.03 -0.02 0.02 0.00 -0.36 0.00 0.00 175.35 175.01 3b8r s MET 869 N 1.18 1.04 0.00 4.03 0.23 -1.16 -1.67 119.30 122.96 3b8r s MET 869 Ca 0.05 -1.50 0.00 0.00 -1.03 0.00 0.00 55.69 53.21 3b8r s MET 869 Cb -0.14 -0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.05 3b8r s MET 869 CO 0.04 -0.17 0.00 1.28 -2.03 0.00 0.00 175.02 174.14 3b8r n LEU 870 N -0.19 0.00 0.14 0.18 4.77 -1.25 -2.42 117.00 118.22 3b8r n LEU 870 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3b8r n LEU 870 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3b8r n LEU 870 CO 0.32 -0.04 -0.00 0.00 -1.33 0.00 0.00 177.39 176.34 3b8r n ALA 874 N -3.00 3.00 -1.77 -1.18 0.00 -1.26 -4.62 120.51 111.68 3b8r n ALA 874 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3b8r n ALA 874 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 3b8r n ALA 874 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3b8r s THR 875 N -2.00 3.78 0.67 0.00 2.01 -1.26 -4.93 115.64 113.90 3b8r s THR 875 Ca 0.00 1.49 0.44 0.00 0.31 0.00 0.00 61.69 63.93 3b8r s THR 875 Cb 0.00 -3.84 0.44 0.00 0.01 0.00 0.00 72.50 69.12 3b8r s THR 875 CO 0.00 0.14 2.37 0.45 -0.69 0.00 0.00 174.62 176.88 3b8r h HIS 876 N 3.00 0.00 -0.41 4.92 -0.00 -2.05 0.25 115.15 120.86 3b8r h HIS 876 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.79 3b8r h HIS 876 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 3b8r h HIS 876 CO 0.59 0.00 -0.17 1.03 -0.00 0.00 0.00 177.93 179.38 3b8r h SER 877 N 0.00 0.86 0.05 2.45 0.87 -1.99 -1.17 113.55 114.62 3b8r h SER 877 Ca 0.00 -0.39 -0.13 0.00 -1.23 0.00 0.00 61.79 60.03 3b8r h SER 877 Cb 0.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3b8r h SER 877 CO -0.00 1.06 -0.44 -0.33 -0.53 0.00 0.00 176.83 176.59 3b8r h GLU 878 N 0.66 0.47 0.47 2.24 5.08 -0.93 -2.04 114.58 120.53 3b8r h GLU 878 Ca 0.09 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3b8r h GLU 878 Cb 0.72 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3b8r h GLU 878 CO 0.05 0.83 -0.23 1.25 -1.00 0.00 0.00 179.01 179.92 3b8r h HIS 879 N 0.38 -0.58 0.00 4.33 2.76 -0.94 -0.62 115.15 120.48 3b8r h HIS 879 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3b8r h HIS 879 Cb 0.93 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3b8r h HIS 879 CO 0.03 -0.28 0.00 0.07 -1.30 0.00 0.00 177.93 176.45 3b8r h ARG 880 N -0.82 0.00 0.07 5.26 0.11 -1.26 0.12 114.38 117.86 3b8r h ARG 880 Ca -0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 3b8r h ARG 880 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3b8r h ARG 880 CO 0.11 0.00 -0.03 0.00 0.10 0.00 0.00 179.97 180.14 3b8r h ALA 881 N 2.01 -0.09 -0.60 0.08 0.00 -1.05 0.77 119.26 120.38 3b8r h ALA 881 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3b8r h ALA 881 Cb 0.37 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3b8r h ALA 881 CO 0.00 -0.31 0.09 1.25 0.00 0.00 0.00 179.25 180.28 3b8r h LEU 882 N -0.57 0.94 -0.50 0.00 5.85 -0.59 -2.14 115.31 118.30 3b8r h LEU 882 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3b8r h LEU 882 Cb 0.49 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3b8r h LEU 882 CO 0.01 0.95 0.32 0.24 -0.34 0.00 0.00 178.44 179.62 3b8r h MET 883 N 0.92 0.67 0.00 1.25 2.86 -0.70 -1.66 114.93 118.27 3b8r h MET 883 Ca 0.19 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3b8r h MET 883 Cb 0.42 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3b8r h MET 883 CO 0.01 0.46 -0.25 0.66 1.06 0.00 0.00 176.91 178.85 3b8r h SER 884 N 0.67 0.00 -0.43 1.22 4.64 -0.63 -1.26 113.55 117.77 3b8r h SER 884 Ca 0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 3b8r h SER 884 Cb -0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3b8r h SER 884 CO -0.04 0.25 0.09 -0.08 -0.87 0.00 0.00 176.83 176.18 3b8r h GLU 885 N 0.00 0.70 -0.55 4.77 4.81 -0.67 0.76 114.58 124.40 3b8r h GLU 885 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3b8r h GLU 885 Cb 0.59 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3b8r h GLU 885 CO 0.03 0.72 0.35 1.25 -0.73 0.00 0.00 179.01 180.64 3b8r h LEU 886 N 0.57 0.64 -0.86 1.64 5.85 -0.43 -2.42 115.31 120.30 3b8r h LEU 886 Ca 0.13 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3b8r h LEU 886 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3b8r h LEU 886 CO 0.00 0.48 -0.50 0.11 -0.34 0.00 0.00 178.44 178.20 3b8r h LYS 887 N 0.74 0.17 -0.29 1.25 1.57 -0.97 -1.68 116.57 117.36 3b8r h LYS 887 Ca 0.20 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3b8r h LYS 887 Cb -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3b8r h LYS 887 CO -0.04 0.64 0.08 0.82 -0.57 0.00 0.00 179.45 180.38 3b8r h ILE 888 N 0.14 1.20 -0.78 1.86 2.04 -0.60 -0.21 117.51 121.16 3b8r h ILE 888 Ca 0.00 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3b8r h ILE 888 Cb 0.93 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3b8r h ILE 888 CO 0.07 0.22 0.35 -0.07 0.00 0.00 0.00 178.15 178.73 3b8r h LEU 889 N 0.30 1.04 -0.81 1.44 3.38 -1.24 0.23 115.31 119.65 3b8r h LEU 889 Ca 0.09 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3b8r h LEU 889 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3b8r h LEU 889 CO -0.00 0.89 -0.52 0.40 0.09 0.00 0.00 178.44 179.30 3b8r h ILE 890 N 1.12 1.36 0.16 1.22 2.04 -1.10 -2.96 117.51 119.34 3b8r h ILE 890 Ca 0.27 -1.78 -0.22 0.00 1.00 0.00 0.00 64.86 64.13 3b8r h ILE 890 Cb 0.15 1.87 0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3b8r h ILE 890 CO -0.03 0.52 -0.99 -0.74 0.00 0.00 0.00 178.15 176.91 3b8r h HIS 891 N 0.16 0.62 -0.75 1.37 2.76 -0.58 -3.31 115.15 115.41 3b8r h HIS 891 Ca 0.00 -0.45 0.11 0.00 -2.20 0.00 0.00 60.37 57.83 3b8r h HIS 891 Cb 0.97 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.82 3b8r h HIS 891 CO 0.02 1.38 0.37 0.82 -1.30 0.00 0.00 177.93 179.21 3b8r h ILE 892 N -0.27 0.80 0.00 6.26 1.08 -0.59 -3.48 117.51 121.31 3b8r h ILE 892 Ca -0.18 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3b8r h ILE 892 Cb 1.75 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3b8r h ILE 892 CO 0.17 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.35 3b8r n GLY 893 N -1.31 -1.76 3.89 5.37 0.00 -1.12 -4.98 105.19 105.28 3b8r n GLY 893 Ca 0.13 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3b8r n GLY 893 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b8r s HIS 894 N 0.00 3.58 -0.25 1.61 2.46 -1.26 -4.92 115.29 116.51 3b8r s HIS 894 Ca 0.00 0.49 -0.21 0.00 0.47 0.00 0.00 55.06 55.80 3b8r s HIS 894 Cb 0.00 -1.92 0.07 0.00 -0.13 0.00 0.00 32.58 30.60 3b8r s HIS 894 CO 0.00 0.67 0.65 -1.58 -2.47 0.00 0.00 174.74 172.01 3b8r s HIS 895 N -1.21 -0.77 0.55 3.88 5.04 -1.26 -5.05 115.29 116.46 3b8r s HIS 895 Ca 0.23 1.80 0.24 0.00 -1.54 0.00 0.00 55.06 55.80 3b8r s HIS 895 Cb -0.13 0.31 1.46 0.00 0.04 0.00 0.00 32.58 34.26 3b8r s HIS 895 CO 0.13 -0.37 2.07 1.25 -2.34 0.00 0.00 174.74 175.48 3b8r h LEU 896 N 5.45 0.00 -3.85 8.88 5.85 -1.98 -2.82 115.31 126.83 3b8r h LEU 896 Ca -0.29 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.91 3b8r h LEU 896 Cb 1.17 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.93 3b8r h LEU 896 CO 0.11 0.00 0.45 0.59 -0.34 0.00 0.00 178.44 179.24 3b8r n ASN 897 N -4.20 5.08 -3.70 1.25 5.03 -1.26 -4.74 115.26 112.72 3b8r n ASN 897 Ca 0.04 -3.73 -0.13 0.00 0.87 0.00 0.00 54.58 51.63 3b8r n ASN 897 Cb 0.38 -0.80 -0.13 0.00 -1.02 0.00 0.00 39.78 38.20 3b8r n ASN 897 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3b8r s VAL 898 N -3.99 -0.21 0.04 2.41 1.01 -1.07 -1.20 120.40 117.40 3b8r s VAL 898 Ca 0.57 0.22 -0.37 0.00 0.00 0.00 0.00 61.98 62.40 3b8r s VAL 898 Cb 0.47 -0.39 -0.17 0.00 0.00 0.00 0.00 36.38 36.29 3b8r s VAL 898 CO 0.04 0.09 1.35 1.33 0.00 0.00 0.00 175.10 177.91 3b8r n VAL 899 N 4.77 0.03 -3.03 2.92 0.24 0.44 -4.63 118.33 119.06 3b8r n VAL 899 Ca -0.16 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 3b8r n VAL 899 Cb 0.51 -0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 32.05 3b8r n VAL 899 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3b8r s ASN 900 N 0.72 7.15 -0.18 -1.34 0.01 -1.26 -4.95 114.94 115.08 3b8r s ASN 900 Ca 0.86 1.37 -0.28 0.00 -0.71 0.00 0.00 52.86 54.10 3b8r s ASN 900 Cb -0.99 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 38.22 3b8r s ASN 900 CO 0.49 0.02 0.99 -0.22 -1.51 0.00 0.00 177.10 176.87 3b8r s LEU 901 N -0.03 4.16 -0.17 0.60 2.96 -1.26 -0.70 118.68 124.25 3b8r s LEU 901 Ca 0.37 1.38 0.14 0.00 -0.22 0.00 0.00 54.13 55.79 3b8r s LEU 901 Cb -0.20 -3.48 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 3b8r s LEU 901 CO 0.21 -0.55 0.18 0.18 -1.32 0.00 0.00 176.35 175.06 3b8r n LEU 902 N 5.72 0.68 0.00 -0.68 4.77 0.92 -4.93 117.00 123.49 3b8r n LEU 902 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3b8r n LEU 902 Cb 0.47 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3b8r n LEU 902 CO 0.51 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3b8r n GLY 903 N 1.78 -1.43 3.51 -0.72 0.00 -1.09 -4.95 105.19 102.29 3b8r n GLY 903 Ca -0.31 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3b8r n GLY 903 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8r s ALA 904 N -1.23 -1.44 -0.36 4.61 0.00 -0.26 -0.78 121.76 122.31 3b8r s ALA 904 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3b8r s ALA 904 Cb 0.00 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.09 3b8r s ALA 904 CO 0.00 -0.82 0.10 0.00 0.00 0.00 0.00 175.76 175.04 3b8r n THR 906 N 4.23 0.00 -1.83 0.00 -2.24 -1.26 -1.28 114.28 111.91 3b8r n THR 906 Ca 0.03 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 3b8r n THR 906 Cb 0.40 0.66 0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3b8r n THR 906 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3b8r s LYS 907 N -1.79 3.06 0.85 -0.78 -2.85 -1.26 -4.97 119.74 111.99 3b8r s LYS 907 Ca -0.00 1.18 -0.14 0.00 -1.00 0.00 0.00 55.97 56.01 3b8r s LYS 907 Cb 0.01 -2.00 0.04 0.00 -2.06 0.00 0.00 37.83 33.82 3b8r s LYS 907 CO 0.09 -1.02 0.73 -2.30 0.10 0.00 0.00 175.35 172.95 3b8r n PRO 908 N -2.46 -0.01 0.00 1.78 -0.02 -1.26 -4.19 135.00 128.84 3b8r n PRO 908 Ca 0.09 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3b8r n PRO 908 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3b8r n PRO 908 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b8r n GLY 909 N 1.17 1.93 1.75 -1.23 0.00 -1.26 -5.07 105.19 102.49 3b8r n GLY 909 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3b8r n GLY 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8r n GLY 910 N -0.09 0.84 3.76 -0.02 0.00 -1.26 -5.17 105.19 103.25 3b8r n GLY 910 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 3b8r n GLY 910 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b8r s PRO 911 N -2.02 2.68 0.16 1.61 0.04 -1.26 -4.95 135.00 131.26 3b8r s PRO 911 Ca 0.11 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 3b8r s PRO 911 Cb -0.01 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 3b8r s PRO 911 CO 0.02 -1.36 1.17 -1.17 0.04 0.00 0.00 177.00 175.70 3b8r s LEU 912 N -4.87 4.44 -0.05 -3.56 2.96 -1.26 -4.78 118.68 111.56 3b8r s LEU 912 Ca 0.69 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 56.74 3b8r s LEU 912 Cb -0.23 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 42.90 3b8r s LEU 912 CO 0.41 -0.35 0.09 -0.04 -1.32 0.00 0.00 176.35 175.15 3b8r s MET 913 N -0.03 0.01 -0.21 1.98 -1.94 -0.40 -3.89 119.30 114.81 3b8r s MET 913 Ca 0.53 0.34 -0.07 0.00 -1.71 0.00 0.00 55.69 54.78 3b8r s MET 913 Cb -0.31 -0.27 -0.03 0.00 2.01 0.00 0.00 34.83 36.23 3b8r s MET 913 CO 0.35 -0.21 0.05 0.08 -0.01 0.00 0.00 175.02 175.28 3b8r s VAL 914 N 1.46 4.44 -0.12 -6.03 1.01 -0.67 -0.61 120.40 119.88 3b8r s VAL 914 Ca -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3b8r s VAL 914 Cb -0.12 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 3b8r s VAL 914 CO -0.04 0.41 -0.07 -0.63 0.00 0.00 0.00 175.10 174.76 3b8r s ILE 915 N 0.96 3.61 0.33 2.22 1.01 0.04 -1.51 121.20 127.86 3b8r s ILE 915 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3b8r s ILE 915 Cb -0.14 -2.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.74 3b8r s ILE 915 CO 0.03 0.53 0.07 0.42 0.00 0.00 0.00 174.94 175.99 3b8r s THR 916 N 0.04 1.04 0.95 2.92 -4.23 -0.51 -0.05 115.64 115.79 3b8r s THR 916 Ca -0.02 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 3b8r s THR 916 Cb -0.14 -2.70 0.16 0.00 1.34 0.00 0.00 72.50 71.16 3b8r s THR 916 CO 0.03 0.00 1.11 -1.83 -0.54 0.00 0.00 174.62 173.39 3b8r s GLU 917 N -3.88 0.80 -0.14 3.99 -1.05 0.13 -1.71 118.70 116.84 3b8r s GLU 917 Ca 0.34 1.28 -0.07 0.00 -0.15 0.00 0.00 54.97 56.38 3b8r s GLU 917 Cb 0.08 -1.72 -0.04 0.00 -0.44 0.00 0.00 34.13 32.00 3b8r s GLU 917 CO 0.15 -2.69 0.10 0.12 0.95 0.00 0.00 175.26 173.89 3b8r s PHE 918 N -2.67 3.44 -0.59 4.83 5.36 -1.26 -4.15 117.98 122.94 3b8r s PHE 918 Ca 0.66 0.37 0.04 0.00 -0.96 0.00 0.00 56.93 57.03 3b8r s PHE 918 Cb -0.22 -1.97 0.15 0.00 -0.34 0.00 0.00 43.02 40.64 3b8r s PHE 918 CO 0.59 0.53 0.35 0.00 -1.46 0.00 0.00 175.22 175.23 3b8r h LYS 920 N 6.22 0.00 -0.00 0.00 2.10 -1.94 -1.93 116.57 121.01 3b8r h LYS 920 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3b8r h LYS 920 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3b8r h LYS 920 CO 0.70 0.00 -0.15 1.19 -2.00 0.00 0.00 179.45 179.20 3b8r n PHE 921 N -3.74 0.00 -4.29 0.07 3.01 -0.79 -5.04 117.46 106.68 3b8r n PHE 921 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 3b8r n PHE 921 Cb 0.89 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 3b8r n PHE 921 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b8r n GLY 922 N 1.32 -0.86 3.77 1.37 0.00 -0.73 -4.67 105.19 105.40 3b8r n GLY 922 Ca 0.13 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 3b8r n GLY 922 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b8r s ASN 923 N -4.00 6.65 0.46 1.61 2.20 -1.26 -0.80 114.94 119.81 3b8r s ASN 923 Ca 0.00 2.56 0.14 0.00 -0.94 0.00 0.00 52.86 54.63 3b8r s ASN 923 Cb 0.00 -2.64 1.09 0.00 -2.00 0.00 0.00 41.25 37.71 3b8r s ASN 923 CO 0.00 -0.60 2.04 0.25 -2.94 0.00 0.00 177.10 175.85 3b8r h LEU 924 N 3.09 0.26 0.45 3.54 5.85 -0.84 -2.23 115.31 125.43 3b8r h LEU 924 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 3b8r h LEU 924 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3b8r h LEU 924 CO 0.64 0.17 -0.22 -1.28 -0.34 0.00 0.00 178.44 177.41 3b8r h SER 925 N 0.29 -0.52 -0.75 1.25 0.87 -1.84 0.22 113.55 113.07 3b8r h SER 925 Ca 0.18 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3b8r h SER 925 Cb 0.33 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 3b8r h SER 925 CO -0.04 -0.25 0.49 0.74 -0.53 0.00 0.00 176.83 177.25 3b8r h THR 926 N -0.78 1.17 0.09 2.23 2.02 -1.87 -1.33 112.91 114.45 3b8r h THR 926 Ca -0.06 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3b8r h THR 926 Cb 0.54 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3b8r h THR 926 CO 0.10 0.18 -0.04 0.22 0.37 0.00 0.00 175.52 176.35 3b8r h TYR 927 N 0.99 -0.12 -0.72 3.16 3.20 -1.30 -2.34 116.97 119.84 3b8r h TYR 927 Ca 0.28 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.16 3b8r h TYR 927 Cb -0.08 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 3b8r h TYR 927 CO -0.02 -0.04 0.48 -0.07 -1.64 0.00 0.00 178.16 176.87 3b8r h LEU 928 N -0.16 0.83 -1.19 2.82 3.38 -0.33 -1.95 115.31 118.72 3b8r h LEU 928 Ca -0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3b8r h LEU 928 Cb 0.13 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3b8r h LEU 928 CO 0.02 0.60 0.57 -0.09 0.09 0.00 0.00 178.44 179.63 3b8r h ARG 929 N 0.98 0.91 0.00 1.13 2.43 -1.11 -0.67 114.38 118.06 3b8r h ARG 929 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3b8r h ARG 929 Cb -0.11 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.23 3b8r h ARG 929 CO -0.06 0.60 0.00 -1.13 -1.51 0.00 0.00 179.97 177.88 3b8r n SER 930 N -4.51 0.00 0.00 -3.80 3.41 -0.74 -3.24 113.62 104.74 3b8r n SER 930 Ca 0.14 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 3b8r n SER 930 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3b8r n SER 930 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3b8r n LYS 931 N -0.69 0.63 -0.22 4.33 4.76 -0.26 -4.75 118.16 121.96 3b8r n LYS 931 Ca 0.08 -0.87 0.17 0.00 -2.87 0.00 0.00 58.31 54.82 3b8r n LYS 931 Cb 0.04 -0.96 0.50 0.00 -1.84 0.00 0.00 35.03 32.76 3b8r n LYS 931 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b8r h ARG 932 N 0.00 0.42 -0.33 1.97 3.08 -1.52 0.31 114.38 118.32 3b8r h ARG 932 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3b8r h ARG 932 Cb 0.24 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3b8r h ARG 932 CO 0.00 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 179.27 3b8r n ASN 933 N -4.50 1.82 -2.71 7.04 5.03 -1.26 -3.88 115.26 116.80 3b8r n ASN 933 Ca 0.17 -1.97 -0.13 0.00 0.87 0.00 0.00 54.58 53.53 3b8r n ASN 933 Cb 0.61 -0.22 0.02 0.00 -1.02 0.00 0.00 39.78 39.17 3b8r n ASN 933 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3b8r n GLU 934 N 0.49 1.50 -4.65 3.52 1.02 0.11 -5.07 120.64 117.56 3b8r n GLU 934 Ca 0.12 -3.49 -0.23 0.00 -0.02 0.00 0.00 57.16 53.54 3b8r n GLU 934 Cb 0.29 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.09 3b8r n GLU 934 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3b8r s PHE 935 N -3.10 1.34 0.00 -0.32 2.19 -1.19 -0.85 117.98 116.06 3b8r s PHE 935 Ca 0.32 -0.32 0.00 0.00 0.33 0.00 0.00 56.93 57.27 3b8r s PHE 935 Cb 0.43 -0.89 -0.00 0.00 -1.31 0.00 0.00 43.02 41.24 3b8r s PHE 935 CO -0.01 -0.09 -0.01 0.14 1.83 0.00 0.00 175.22 177.08 3b8r s VAL 936 N -0.09 0.03 0.34 3.12 -7.23 -0.52 -4.94 120.40 111.11 3b8r s VAL 936 Ca 0.00 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.05 3b8r s VAL 936 Cb -0.08 -0.07 0.09 0.00 0.56 0.00 0.00 36.38 36.88 3b8r s VAL 936 CO 0.01 -0.11 1.80 -0.65 -0.31 0.00 0.00 175.10 175.83 3b8r h PRO 937 N 5.81 0.22 0.00 4.82 0.11 -1.94 -3.31 132.00 137.70 3b8r h PRO 937 Ca -0.26 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3b8r h PRO 937 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3b8r h PRO 937 CO 0.49 0.50 0.00 2.48 -0.21 0.00 0.00 178.00 181.26 3b8r n TYR 938 N -4.13 0.00 -3.05 0.65 0.18 -1.26 -2.56 117.16 107.00 3b8r n TYR 938 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 3b8r n TYR 938 Cb 0.39 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 3b8r n TYR 938 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3b8r n LYS 939 N 0.00 -1.14 0.00 -3.48 2.85 -1.26 -4.85 118.16 110.28 3b8r n LYS 939 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3b8r n LYS 939 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3b8r n LYS 939 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 3b8r n TYR 996 N 0.92 0.00 -3.52 5.58 9.36 -1.26 -5.26 117.16 122.98 3b8r n TYR 996 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 3b8r n TYR 996 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.65 3b8r n TYR 996 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3b8r s LYS 997 N 0.00 3.98 -1.23 2.98 2.20 -1.26 -5.02 119.74 121.39 3b8r s LYS 997 Ca 0.00 0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.74 3b8r s LYS 997 Cb 0.00 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3b8r s LYS 997 CO 0.00 0.56 2.00 -0.25 -0.36 0.00 0.00 175.35 177.30 3b8r n ASP 998 N 2.34 3.72 -4.77 1.43 8.00 -1.26 -4.98 116.55 121.03 3b8r n ASP 998 Ca -0.13 -2.80 -0.39 0.00 0.71 0.00 0.00 54.79 52.17 3b8r n ASP 998 Cb 0.52 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 3b8r n ASP 998 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3b8r s PHE 999 N 4.92 3.75 0.32 1.24 0.40 -1.26 -4.99 117.98 122.36 3b8r s PHE 999 Ca 0.54 1.31 -0.17 0.00 -0.60 0.00 0.00 56.93 58.00 3b8r s PHE 999 Cb 0.10 -2.63 -0.09 0.00 0.51 0.00 0.00 43.02 40.90 3b8r s PHE 999 CO 0.03 0.41 0.78 -0.51 0.70 0.00 0.00 175.22 176.63 3b8r s LEU 1000N -0.49 4.12 0.11 -0.37 1.43 -0.03 -4.95 118.68 118.50 3b8r s LEU 1000Ca 0.32 1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 54.74 3b8r s LEU 1000Cb -0.19 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 41.98 3b8r s LEU 1000CO 0.19 -0.17 0.22 0.42 0.23 0.00 0.00 176.35 177.24 3b8r s THR 1001N -1.90 0.12 0.39 5.49 -4.23 -1.24 -1.43 115.64 112.83 3b8r s THR 1001Ca 0.53 -1.25 0.17 0.00 -1.18 0.00 0.00 61.69 59.96 3b8r s THR 1001Cb -0.12 -1.49 0.38 0.00 1.34 0.00 0.00 72.50 72.61 3b8r s THR 1001CO 0.18 -0.54 1.77 -0.07 -0.54 0.00 0.00 174.62 175.42 3b8r h LEU 1002N 2.69 0.48 -0.66 4.79 3.38 -1.59 0.27 115.31 124.67 3b8r h LEU 1002Ca -0.33 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3b8r h LEU 1002Cb 1.21 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3b8r h LEU 1002CO 0.54 0.10 0.34 -0.08 0.09 0.00 0.00 178.44 179.43 3b8r h GLU 1003N 0.43 0.93 0.31 1.13 4.81 -1.93 -0.60 114.58 119.66 3b8r h GLU 1003Ca 0.59 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 3b8r h GLU 1003Cb 1.44 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3b8r h GLU 1003CO -0.31 0.71 -0.28 0.45 -0.73 0.00 0.00 179.01 178.86 3b8r h HIS 1004N 0.90 -0.75 -0.79 0.92 3.86 -0.88 0.33 115.15 118.74 3b8r h HIS 1004Ca 0.23 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.57 3b8r h HIS 1004Cb 0.07 0.29 -0.09 0.00 1.06 0.00 0.00 27.41 28.74 3b8r h HIS 1004CO -0.00 -0.41 0.38 -0.07 0.86 0.00 0.00 177.93 178.69 3b8r h LEU 1005N -0.61 0.46 -0.35 2.43 3.38 -1.14 0.33 115.31 119.81 3b8r h LEU 1005Ca -0.02 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3b8r h LEU 1005Cb 0.55 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3b8r h LEU 1005CO -0.04 0.22 -0.46 0.40 0.09 0.00 0.00 178.44 178.64 3b8r h ILE 1006N 0.59 1.27 -0.59 1.22 2.04 -0.83 -2.45 117.51 118.76 3b8r h ILE 1006Ca 0.41 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 3b8r h ILE 1006Cb 0.55 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3b8r h ILE 1006CO -0.34 0.54 0.21 0.00 0.00 0.00 0.00 178.15 178.57 3b8r h TYR 1008N 0.82 -0.08 -0.42 0.00 0.05 -0.35 -0.41 116.97 116.58 3b8r h TYR 1008Ca 0.19 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.06 3b8r h TYR 1008Cb 0.24 0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.94 3b8r h TYR 1008CO 0.01 -0.06 -0.13 0.77 -1.05 0.00 0.00 178.16 177.71 3b8r h SER 1009N -0.05 -0.45 -0.18 3.88 0.02 -1.07 -1.16 113.55 114.53 3b8r h SER 1009Ca 0.02 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3b8r h SER 1009Cb 0.09 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3b8r h SER 1009CO -0.06 -0.16 -0.09 0.15 -1.14 0.00 0.00 176.83 175.53 3b8r h PHE 1010N -0.03 -0.21 -0.76 3.45 3.57 -0.34 -0.30 116.94 122.32 3b8r h PHE 1010Ca 0.20 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3b8r h PHE 1010Cb 0.34 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3b8r h PHE 1010CO -0.39 -0.14 0.50 1.96 -2.23 0.00 0.00 178.31 178.02 3b8r h GLN 1011N -0.07 1.01 -0.01 1.11 4.20 -0.41 -1.57 115.11 119.36 3b8r h GLN 1011Ca 0.10 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3b8r h GLN 1011Cb 0.22 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3b8r h GLN 1011CO -0.23 0.67 -0.36 0.28 -0.67 0.00 0.00 178.83 178.53 3b8r h VAL 1012N 1.04 1.26 -0.48 -0.54 2.07 -0.85 -1.26 116.25 117.49 3b8r h VAL 1012Ca 0.28 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3b8r h VAL 1012Cb -0.12 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3b8r h VAL 1012CO -0.06 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 177.86 3b8r h ALA 1013N 1.62 0.65 -0.43 1.67 0.00 -0.13 -1.35 119.26 121.30 3b8r h ALA 1013Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3b8r h ALA 1013Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3b8r h ALA 1013CO 0.05 0.48 -0.19 0.87 0.00 0.00 0.00 179.25 180.46 3b8r h LYS 1014N 0.72 0.88 -0.52 0.00 1.57 -0.99 -0.37 116.57 117.88 3b8r h LYS 1014Ca 0.13 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3b8r h LYS 1014Cb 0.55 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3b8r h LYS 1014CO 0.03 1.03 0.31 0.78 -0.57 0.00 0.00 179.45 181.03 3b8r h GLY 1015N 0.71 0.73 1.29 3.86 0.00 -1.11 0.10 103.07 108.65 3b8r h GLY 1015Ca 0.10 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3b8r h GLY 1015CO 0.06 0.21 -0.18 -0.33 0.00 0.00 0.00 176.54 176.30 3b8r h MET 1016N 0.63 0.82 -0.90 4.80 2.86 -1.11 -0.21 114.93 121.83 3b8r h MET 1016Ca 0.20 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3b8r h MET 1016Cb 0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3b8r h MET 1016CO -0.08 0.94 0.56 1.49 1.06 0.00 0.00 176.91 180.88 3b8r h GLU 1017N 0.73 1.21 0.38 1.72 4.81 -0.40 0.37 114.58 123.40 3b8r h GLU 1017Ca 0.11 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3b8r h GLU 1017Cb 0.70 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3b8r h GLU 1017CO 0.05 0.83 -0.18 0.35 -0.73 0.00 0.00 179.01 179.33 3b8r h PHE 1018N 1.24 -0.47 -0.49 0.92 3.57 -0.35 0.17 116.94 121.52 3b8r h PHE 1018Ca 0.33 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3b8r h PHE 1018Cb -0.08 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3b8r h PHE 1018CO 0.00 -0.20 0.21 -0.07 -2.23 0.00 0.00 178.31 176.02 3b8r h LEU 1019N -0.66 0.63 -0.16 0.59 3.38 -0.73 -2.74 115.31 115.62 3b8r h LEU 1019Ca -0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3b8r h LEU 1019Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3b8r h LEU 1019CO 0.08 0.56 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 3b8r h ALA 1020N 1.54 0.22 0.00 1.53 0.00 -0.12 -0.35 119.26 122.08 3b8r h ALA 1020Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3b8r h ALA 1020Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3b8r h ALA 1020CO -0.02 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 3b8r n SER 1021N -4.70 0.00 -0.51 0.00 3.41 0.03 -0.38 113.62 111.48 3b8r n SER 1021Ca -0.05 -0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.41 3b8r n SER 1021Cb 0.25 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.27 3b8r n SER 1021CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b8r n ARG 1022N -0.66 0.59 -3.19 4.33 1.74 -1.00 -4.97 116.66 113.50 3b8r n ARG 1022Ca 0.01 -1.90 -0.23 0.00 -0.77 0.00 0.00 57.85 54.95 3b8r n ARG 1022Cb 0.00 -0.88 0.04 0.00 -1.02 0.00 0.00 32.46 30.61 3b8r n ARG 1022CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3b8r n LYS 1023N -0.52 -5.30 -4.37 5.56 5.02 0.49 -4.97 118.16 114.07 3b8r n LYS 1023Ca 0.08 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.87 3b8r n LYS 1023Cb 0.74 -5.73 -0.14 0.00 -0.02 0.00 0.00 35.03 29.89 3b8r n LYS 1023CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b8r s ILE 1025N 0.77 4.30 -0.01 0.00 1.01 -1.26 -3.81 121.20 122.21 3b8r s ILE 1025Ca -0.03 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 3b8r s ILE 1025Cb -0.15 -2.89 -0.18 0.00 0.01 0.00 0.00 42.46 39.24 3b8r s ILE 1025CO 0.02 0.50 1.26 -0.74 0.00 0.00 0.00 174.94 175.98 3b8r h HIS 1026N 6.45 -0.13 0.00 3.97 -0.00 -1.93 -3.06 115.15 120.45 3b8r h HIS 1026Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3b8r h HIS 1026Cb 1.18 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3b8r h HIS 1026CO 0.56 0.26 0.00 0.54 -0.00 0.00 0.00 177.93 179.29 3b8r n ARG 1027N -4.96 0.00 -2.69 5.26 1.74 -1.26 -1.66 116.66 113.09 3b8r n ARG 1027Ca -0.09 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.94 3b8r n ARG 1027Cb 0.23 -1.73 0.12 0.00 -1.02 0.00 0.00 32.46 30.07 3b8r n ARG 1027CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3b8r n ASP 1028N 0.00 -1.69 -4.59 0.55 2.03 -1.26 -5.04 116.55 106.55 3b8r n ASP 1028Ca 0.00 -2.38 -0.43 0.00 0.52 0.00 0.00 54.79 52.50 3b8r n ASP 1028Cb 0.00 0.88 -0.02 0.00 -0.72 0.00 0.00 41.12 41.25 3b8r n ASP 1028CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3b8r s LEU 1029N -3.50 3.52 0.21 -2.67 2.96 -1.26 -4.79 118.68 113.14 3b8r s LEU 1029Ca 0.18 0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 54.87 3b8r s LEU 1029Cb 0.42 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.71 3b8r s LEU 1029CO -0.10 -1.64 0.52 0.00 -1.32 0.00 0.00 176.35 173.82 3b8r s ALA 1030N 6.34 -0.83 0.36 5.97 0.00 -1.26 -4.59 121.76 127.75 3b8r s ALA 1030Ca 0.69 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.41 3b8r s ALA 1030Cb -0.17 0.88 0.87 0.00 0.00 0.00 0.00 23.12 24.70 3b8r s ALA 1030CO 0.32 -0.82 1.83 0.00 0.00 0.00 0.00 175.76 177.09 3b8r h ALA 1031N 2.20 1.90 0.00 0.00 0.00 -1.92 -0.12 119.26 121.32 3b8r h ALA 1031Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3b8r h ALA 1031Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3b8r h ALA 1031CO 0.36 -0.19 0.00 0.07 0.00 0.00 0.00 179.25 179.49 3b8r h ARG 1032N 0.64 0.00 -0.64 0.00 0.11 -1.95 -1.81 114.38 110.73 3b8r h ARG 1032Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3b8r h ARG 1032Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 3b8r h ARG 1032CO -0.25 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.91 3b8r n ASN 1033N -2.61 4.02 -4.30 0.08 3.02 -0.06 -4.79 115.26 110.62 3b8r n ASN 1033Ca 0.00 -2.14 -0.36 0.00 -0.03 0.00 0.00 54.58 52.05 3b8r n ASN 1033Cb 0.19 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 3b8r n ASN 1033CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3b8r s ILE 1034N -1.27 3.49 -0.05 2.41 -1.09 -0.68 -2.27 121.20 121.74 3b8r s ILE 1034Ca 0.46 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3b8r s ILE 1034Cb 0.26 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 3b8r s ILE 1034CO 0.28 0.27 0.15 -0.76 -1.23 0.00 0.00 174.94 173.65 3b8r s LEU 1035N 1.46 4.31 -0.22 2.97 1.43 -0.23 -0.59 118.68 127.80 3b8r s LEU 1035Ca 0.04 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3b8r s LEU 1035Cb -0.16 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3b8r s LEU 1035CO -0.02 0.31 0.03 -0.22 0.23 0.00 0.00 176.35 176.69 3b8r s LEU 1036N -1.60 3.34 0.00 1.79 2.96 0.02 -0.58 118.68 124.62 3b8r s LEU 1036Ca 0.22 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3b8r s LEU 1036Cb -0.12 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.74 3b8r s LEU 1036CO 0.13 0.02 0.34 -1.20 -1.32 0.00 0.00 176.35 174.31 3b8r n SER 1037N 4.57 1.42 -4.74 3.68 7.64 -0.14 -1.88 113.62 124.17 3b8r n SER 1037Ca -0.17 -1.87 -0.35 0.00 1.01 0.00 0.00 58.87 57.49 3b8r n SER 1037Cb 0.52 -0.14 0.07 0.00 -1.01 0.00 0.00 64.21 63.64 3b8r n SER 1037CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3b8r s GLU 1038N -3.29 2.52 -1.26 1.43 0.41 -1.26 -3.58 118.70 113.66 3b8r s GLU 1038Ca 0.25 1.77 -0.08 0.00 -0.41 0.00 0.00 54.97 56.51 3b8r s GLU 1038Cb -0.02 -1.88 0.01 0.00 -1.78 0.00 0.00 34.13 30.46 3b8r s GLU 1038CO 0.16 -1.55 1.10 1.63 -0.49 0.00 0.00 175.26 176.11 3b8r n LYS 1039N -2.24 -7.40 -2.86 1.61 5.02 -1.26 -3.36 118.16 107.68 3b8r n LYS 1039Ca 0.13 0.78 -0.16 0.00 -2.02 0.00 0.00 58.31 57.05 3b8r n LYS 1039Cb 0.50 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.82 3b8r n LYS 1039CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3b8r n ASN 1040N -2.77 -3.44 -4.67 4.39 4.13 -1.24 -4.95 115.26 106.71 3b8r n ASN 1040Ca -0.02 -0.03 -0.38 0.00 1.68 0.00 0.00 54.58 55.84 3b8r n ASN 1040Cb 0.57 -2.91 -0.08 0.00 -1.54 0.00 0.00 39.78 35.82 3b8r n ASN 1040CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3b8r s VAL 1041N -2.68 5.24 0.13 2.41 1.01 -1.21 -4.90 120.40 120.40 3b8r s VAL 1041Ca 0.18 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.76 3b8r s VAL 1041Cb -0.09 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3b8r s VAL 1041CO 0.22 0.27 0.15 0.68 0.00 0.00 0.00 175.10 176.42 3b8r s VAL 1042N 1.26 4.69 -0.01 2.92 -7.23 -1.26 -0.97 120.40 119.80 3b8r s VAL 1042Ca 0.16 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 3b8r s VAL 1042Cb -0.14 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.45 3b8r s VAL 1042CO 0.07 -0.02 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.27 3b8r s LYS 1043N -2.88 0.22 0.31 4.82 1.02 0.25 -4.39 119.74 119.09 3b8r s LYS 1043Ca 0.31 -0.07 -0.18 0.00 0.02 0.00 0.00 55.97 56.05 3b8r s LYS 1043Cb -0.11 -0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 36.86 3b8r s LYS 1043CO 0.24 0.03 0.79 0.42 -0.92 0.00 0.00 175.35 175.91 3b8r s ILE 1044N 0.09 4.55 0.33 2.17 1.01 -0.34 -1.07 121.20 127.94 3b8r s ILE 1044Ca -0.01 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.77 3b8r s ILE 1044Cb -0.03 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.74 3b8r s ILE 1044CO -0.00 -0.07 0.59 0.00 0.00 0.00 0.00 174.94 175.46 3b8r n ASP 1046N -1.13 -0.68 -4.71 0.00 8.00 -1.26 -4.87 116.55 111.91 3b8r n ASP 1046Ca -0.03 -0.96 -0.30 0.00 0.71 0.00 0.00 54.79 54.21 3b8r n ASP 1046Cb 0.61 -3.28 -0.08 0.00 -0.02 0.00 0.00 41.12 38.36 3b8r n ASP 1046CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3b8r s PHE 1047N -3.86 3.03 -0.81 1.24 -0.12 -1.26 -4.57 117.98 111.62 3b8r s PHE 1047Ca 0.04 -0.01 -0.03 0.00 -0.05 0.00 0.00 56.93 56.88 3b8r s PHE 1047Cb -0.02 -1.54 0.00 0.00 -0.63 0.00 0.00 43.02 40.83 3b8r s PHE 1047CO 0.87 0.49 0.35 0.41 -0.05 0.00 0.00 175.22 177.29 3b8r n GLY 1048N 0.47 0.06 0.00 1.99 0.00 -0.66 -4.98 105.19 102.06 3b8r n GLY 1048Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3b8r n GLY 1048CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3b8r n LEU 1049N -2.29 0.00 -4.78 0.99 4.77 -1.26 -5.02 117.00 109.41 3b8r n LEU 1049Ca -0.05 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.57 3b8r n LEU 1049Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3b8r n LEU 1049CO 0.26 0.00 0.78 -0.76 -1.33 0.00 0.00 177.39 176.34 3b8r s LEU 1067N -1.11 3.88 0.10 2.23 1.43 -1.26 -5.17 118.68 118.78 3b8r s LEU 1067Ca 0.00 2.17 0.09 0.00 -1.03 0.00 0.00 54.13 55.36 3b8r s LEU 1067Cb 0.00 -4.44 0.46 0.00 0.03 0.00 0.00 46.19 42.24 3b8r s LEU 1067CO 0.00 -1.00 1.28 -2.65 0.23 0.00 0.00 176.35 174.21 3b8r n PRO 1068N -0.89 0.05 0.22 1.29 -0.02 -1.26 -2.64 135.00 131.75 3b8r n PRO 1068Ca 0.09 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 3b8r n PRO 1068Cb 0.50 -1.65 0.80 0.00 -0.02 0.00 0.00 33.50 33.14 3b8r n PRO 1068CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3b8r h LEU 1069N 0.00 0.00 -2.09 2.45 3.38 -2.02 -0.81 115.31 116.22 3b8r h LEU 1069Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b8r h LEU 1069Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3b8r h LEU 1069CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 3b8r h LYS 1070N 0.00 0.00 0.00 1.13 1.57 -1.93 -2.77 116.57 114.57 3b8r h LYS 1070Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3b8r h LYS 1070Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3b8r h LYS 1070CO -0.00 0.00 -1.02 0.91 -0.57 0.00 0.00 179.45 178.77 3b8r n TRP 1071N -2.99 0.00 -2.68 -1.35 8.01 -0.33 -4.95 117.44 113.15 3b8r n TRP 1071Ca -0.01 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.78 3b8r n TRP 1071Cb 0.18 -0.12 -0.05 0.00 -2.01 0.00 0.00 31.31 29.31 3b8r n TRP 1071CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3b8r s MET 1072N -2.57 4.78 0.64 -0.99 -1.94 -1.05 -3.80 119.30 114.38 3b8r s MET 1072Ca 0.01 1.57 -0.15 0.00 -1.71 0.00 0.00 55.69 55.41 3b8r s MET 1072Cb 0.10 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.66 3b8r s MET 1072CO 0.58 0.40 1.09 0.00 -0.01 0.00 0.00 175.02 177.08 3b8r s ALA 1073N -1.02 2.59 0.20 3.03 0.00 -1.26 -4.82 121.76 120.48 3b8r s ALA 1073Ca 0.43 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 3b8r s ALA 1073Cb -0.27 -3.27 0.19 0.00 0.00 0.00 0.00 23.12 19.77 3b8r s ALA 1073CO 0.34 -1.10 1.63 -1.35 0.00 0.00 0.00 175.76 175.28 3b8r h PRO 1074N 0.12 -0.02 -0.48 0.00 0.11 -1.94 -0.56 132.00 129.22 3b8r h PRO 1074Ca -0.47 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3b8r h PRO 1074Cb 1.23 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3b8r h PRO 1074CO 0.55 -0.02 0.32 1.05 -0.21 0.00 0.00 178.00 179.70 3b8r h GLU 1075N -0.02 0.54 -0.42 1.05 9.09 -1.92 -0.08 114.58 122.82 3b8r h GLU 1075Ca 0.27 -0.03 -0.11 0.00 0.05 0.00 0.00 59.36 59.54 3b8r h GLU 1075Cb 0.44 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 3b8r h GLU 1075CO -0.59 0.36 -0.16 1.15 0.05 0.00 0.00 179.01 179.81 3b8r h THR 1076N 0.56 1.28 0.43 -1.06 2.02 -1.22 0.56 112.91 115.47 3b8r h THR 1076Ca 0.19 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 3b8r h THR 1076Cb 0.08 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3b8r h THR 1076CO -0.05 0.44 -0.21 0.40 0.37 0.00 0.00 175.52 176.47 3b8r h ILE 1077N 0.67 0.44 -0.01 3.11 2.04 -0.49 0.94 117.51 124.20 3b8r h ILE 1077Ca 0.10 -0.53 -0.20 0.00 1.00 0.00 0.00 64.86 65.23 3b8r h ILE 1077Cb 0.71 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3b8r h ILE 1077CO 0.05 0.08 -0.85 -0.26 0.00 0.00 0.00 178.15 177.17 3b8r h PHE 1078N -0.94 0.41 0.00 1.37 0.04 -1.11 -3.36 116.94 113.35 3b8r h PHE 1078Ca -0.06 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.50 3b8r h PHE 1078Cb 0.57 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3b8r h PHE 1078CO 0.02 1.01 -1.39 -0.25 -0.60 0.00 0.00 178.31 177.09 3b8r n ASP 1079N -3.72 1.71 -0.63 2.17 8.00 0.19 -5.00 116.55 119.27 3b8r n ASP 1079Ca -0.04 -0.17 -0.06 0.00 0.71 0.00 0.00 54.79 55.23 3b8r n ASP 1079Cb 0.79 1.47 -0.01 0.00 -0.02 0.00 0.00 41.12 43.35 3b8r n ASP 1079CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3b8r n ARG 1080N -1.82 -0.48 -3.23 -1.24 1.74 0.32 -4.96 116.66 106.99 3b8r n ARG 1080Ca -0.01 0.48 -0.40 0.00 -0.77 0.00 0.00 57.85 57.15 3b8r n ARG 1080Cb 0.31 -4.30 -0.07 0.00 -1.02 0.00 0.00 32.46 27.38 3b8r n ARG 1080CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3b8r s VAL 1081N -2.28 5.08 -0.26 1.55 1.01 -1.22 -4.95 120.40 119.32 3b8r s VAL 1081Ca 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 3b8r s VAL 1081Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3b8r s VAL 1081CO 0.00 0.12 0.01 -0.31 0.00 0.00 0.00 175.10 174.92 3b8r s TYR 1082N 2.02 3.08 0.36 5.22 1.51 -1.26 -3.74 117.35 124.54 3b8r s TYR 1082Ca 0.23 -1.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.16 3b8r s TYR 1082Cb -0.15 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3b8r s TYR 1082CO 0.09 -0.62 0.14 0.95 -1.11 0.00 0.00 175.55 175.00 3b8r s THR 1083N 1.44 0.52 0.35 -0.71 -4.23 -1.26 -4.99 115.64 106.75 3b8r s THR 1083Ca 0.02 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 3b8r s THR 1083Cb -0.16 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.29 3b8r s THR 1083CO -0.01 0.00 1.79 0.40 -0.54 0.00 0.00 174.62 176.26 3b8r h ILE 1084N 1.99 1.29 0.00 2.99 2.04 -1.98 -2.35 117.51 121.50 3b8r h ILE 1084Ca -0.35 -1.39 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 3b8r h ILE 1084Cb 1.26 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3b8r h ILE 1084CO 0.55 0.40 -0.49 1.56 0.00 0.00 0.00 178.15 180.17 3b8r h GLN 1085N 0.04 0.00 0.00 2.37 7.50 -1.95 -2.30 115.11 120.77 3b8r h GLN 1085Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3b8r h GLN 1085Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.25 3b8r h GLN 1085CO 0.05 0.49 0.00 0.66 -1.50 0.00 0.00 178.83 178.53 3b8r h SER 1086N 0.00 0.00 0.99 1.46 4.64 -1.79 -2.69 113.55 116.15 3b8r h SER 1086Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3b8r h SER 1086Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3b8r h SER 1086CO 0.06 0.00 -0.67 0.44 -0.87 0.00 0.00 176.83 175.79 3b8r h ASP 1087N 0.00 0.00 0.32 4.97 3.32 -1.10 -2.90 116.42 121.03 3b8r h ASP 1087Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3b8r h ASP 1087Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3b8r h ASP 1087CO 0.00 0.67 -0.60 0.58 -1.72 0.00 0.00 179.24 178.17 3b8r h VAL 1088N 0.00 1.38 -0.37 -1.35 2.07 -1.17 0.85 116.25 117.65 3b8r h VAL 1088Ca -0.01 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.51 3b8r h VAL 1088Cb 1.35 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 3b8r h VAL 1088CO 0.09 0.58 0.08 -0.25 0.02 0.00 0.00 177.57 178.09 3b8r h TRP 1089N 0.21 0.63 -0.53 1.57 2.91 -1.46 -2.14 115.95 117.13 3b8r h TRP 1089Ca -0.01 -0.08 -0.03 0.00 1.13 0.00 0.00 58.89 59.91 3b8r h TRP 1089Cb 1.11 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 3b8r h TRP 1089CO 0.03 0.63 0.22 0.77 -1.03 0.00 0.00 178.44 179.05 3b8r h SER 1090N 0.45 0.69 -0.12 2.65 0.02 -1.28 -0.22 113.55 115.75 3b8r h SER 1090Ca 0.12 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3b8r h SER 1090Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3b8r h SER 1090CO 0.00 0.63 0.08 0.15 -1.14 0.00 0.00 176.83 176.55 3b8r h PHE 1091N 0.76 0.13 -0.30 3.45 3.57 -0.22 -0.26 116.94 124.07 3b8r h PHE 1091Ca 0.18 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3b8r h PHE 1091Cb 0.15 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3b8r h PHE 1091CO 0.01 0.08 -0.04 0.78 -2.23 0.00 0.00 178.31 176.91 3b8r h GLY 1092N 0.14 0.59 1.60 2.40 0.00 -0.43 -0.83 103.07 106.55 3b8r h GLY 1092Ca 0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3b8r h GLY 1092CO -0.01 0.43 -0.04 -2.08 0.00 0.00 0.00 176.54 174.84 3b8r h VAL 1093N 0.33 1.20 -0.44 4.60 2.07 -1.06 -1.69 116.25 121.25 3b8r h VAL 1093Ca 0.08 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 3b8r h VAL 1093Cb 0.50 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3b8r h VAL 1093CO 0.02 0.28 0.02 0.25 0.02 0.00 0.00 177.57 178.16 3b8r h LEU 1094N 0.47 0.75 -0.64 2.57 5.85 -0.79 -0.79 115.31 122.74 3b8r h LEU 1094Ca 0.10 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3b8r h LEU 1094Cb 0.37 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3b8r h LEU 1094CO 0.02 0.86 0.41 -0.07 -0.34 0.00 0.00 178.44 179.31 3b8r h LEU 1095N 0.62 0.68 -0.69 2.25 3.38 -0.72 0.13 115.31 120.96 3b8r h LEU 1095Ca 0.13 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3b8r h LEU 1095Cb 0.46 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3b8r h LEU 1095CO 0.02 0.48 0.45 -0.25 0.09 0.00 0.00 178.44 179.23 3b8r h TRP 1096N 0.81 0.86 -0.59 1.13 7.01 -1.06 0.34 115.95 124.44 3b8r h TRP 1096Ca 0.25 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3b8r h TRP 1096Cb -0.01 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.73 3b8r h TRP 1096CO -0.04 0.53 0.32 0.93 -2.79 0.00 0.00 178.44 177.39 3b8r h GLU 1097N 0.92 0.82 -0.31 2.65 5.08 -0.40 -1.64 114.58 121.71 3b8r h GLU 1097Ca 0.26 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3b8r h GLU 1097Cb -0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3b8r h GLU 1097CO -0.06 0.63 0.14 0.82 -1.00 0.00 0.00 179.01 179.54 3b8r h ILE 1098N 0.79 1.16 -0.16 3.13 2.04 -0.29 -0.96 117.51 123.23 3b8r h ILE 1098Ca 0.21 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3b8r h ILE 1098Cb 0.05 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3b8r h ILE 1098CO -0.03 0.17 0.00 0.49 0.00 0.00 0.00 178.15 178.77 3b8r n PHE 1099N -4.76 0.21 0.12 1.37 3.72 0.04 -1.98 117.46 116.18 3b8r n PHE 1099Ca -0.02 -0.11 0.03 0.00 -0.05 0.00 0.00 57.45 57.30 3b8r n PHE 1099Cb 0.11 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3b8r n PHE 1099CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3b8r n SER 1100N -0.04 1.80 -3.64 4.37 3.41 -0.63 -1.26 113.62 117.63 3b8r n SER 1100Ca 0.05 -1.50 -0.28 0.00 -0.26 0.00 0.00 58.87 56.88 3b8r n SER 1100Cb 0.13 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3b8r n SER 1100CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3b8r n LEU 1101N 0.19 -3.23 0.00 1.04 4.77 -0.84 -3.44 117.00 115.49 3b8r n LEU 1101Ca 0.04 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3b8r n LEU 1101Cb 0.21 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 38.77 3b8r n LEU 1101CO 0.04 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3b8r n GLY 1102N -1.63 0.45 3.92 -0.72 0.00 -0.39 -3.23 105.19 103.59 3b8r n GLY 1102Ca -0.12 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 3b8r n GLY 1102CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8r s ALA 1103N -2.00 3.21 -0.15 4.61 0.00 -1.22 -4.74 121.76 121.47 3b8r s ALA 1103Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 3b8r s ALA 1103Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3b8r s ALA 1103CO 0.00 -1.05 0.46 0.45 0.00 0.00 0.00 175.76 175.62 3b8r s SER 1104N -4.40 6.59 0.67 0.00 0.15 -1.26 -4.78 113.70 110.67 3b8r s SER 1104Ca 0.57 0.71 -0.17 0.00 0.70 0.00 0.00 55.95 57.76 3b8r s SER 1104Cb -0.11 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 3b8r s SER 1104CO 0.45 -0.05 0.98 -0.81 1.20 0.00 0.00 173.24 175.02 3b8r n PRO 1105N 4.05 0.70 -3.65 5.44 -0.04 -1.26 -3.66 135.00 136.58 3b8r n PRO 1105Ca -0.07 0.29 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 3b8r n PRO 1105Cb 0.51 -2.22 0.04 0.00 -0.04 0.00 0.00 33.50 31.80 3b8r n PRO 1105CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3b8r n TYR 1106N -2.17 -1.96 -1.75 0.54 4.01 -1.26 -4.87 117.16 109.71 3b8r n TYR 1106Ca 0.14 0.48 -0.42 0.00 -0.16 0.00 0.00 57.90 57.94 3b8r n TYR 1106Cb 0.49 -3.46 -0.01 0.00 -0.31 0.00 0.00 39.34 36.05 3b8r n TYR 1106CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3b8r n PRO 1107N -4.06 2.55 0.00 -0.72 -0.04 -1.24 -2.30 135.00 129.19 3b8r n PRO 1107Ca -0.09 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3b8r n PRO 1107Cb 0.59 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3b8r n PRO 1107CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3b8r n GLY 1108N 1.05 1.80 3.76 0.55 0.00 -1.26 -4.97 105.19 106.12 3b8r n GLY 1108Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3b8r n GLY 1108CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8r s VAL 1109N -2.13 4.54 0.09 1.61 1.01 -0.97 -5.04 120.40 119.50 3b8r s VAL 1109Ca 0.00 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 3b8r s VAL 1109Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3b8r s VAL 1109CO 0.00 0.44 0.62 -0.75 0.00 0.00 0.00 175.10 175.40 3b8r s LYS 1110N -0.56 4.29 -0.97 2.72 2.20 -1.26 -5.00 119.74 121.15 3b8r s LYS 1110Ca 0.38 0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 56.65 3b8r s LYS 1110Cb -0.22 -3.25 0.15 0.00 -1.51 0.00 0.00 37.83 33.00 3b8r s LYS 1110CO 0.25 0.61 1.14 0.42 -0.36 0.00 0.00 175.35 177.40 3b8r s ILE 1111N -1.06 4.93 0.00 5.43 -1.09 -1.26 -4.50 121.20 123.65 3b8r s ILE 1111Ca 0.31 -1.92 0.00 0.00 -2.23 0.00 0.00 60.65 56.80 3b8r s ILE 1111Cb -0.20 -4.76 0.00 0.00 -1.58 0.00 0.00 42.46 35.92 3b8r s ILE 1111CO 0.21 -1.46 0.00 -0.90 -1.23 0.00 0.00 174.94 171.56 3b8r n ASP 1112N 5.96 0.14 -0.08 3.58 3.85 -1.26 -5.00 116.55 123.75 3b8r n ASP 1112Ca 0.25 -0.25 -0.07 0.00 -0.71 0.00 0.00 54.79 54.01 3b8r n ASP 1112Cb 0.47 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.24 3b8r n ASP 1112CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3b8r h GLU 1113N 0.00 0.10 -0.94 0.11 3.07 -2.00 -1.96 114.58 112.96 3b8r h GLU 1113Ca 0.00 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 3b8r h GLU 1113Cb 0.00 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 3b8r h GLU 1113CO 0.00 0.06 0.61 1.49 -1.40 0.00 0.00 179.01 179.77 3b8r h GLU 1114N 0.10 1.02 0.07 2.33 4.57 -1.97 -0.91 114.58 119.80 3b8r h GLU 1114Ca 0.14 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3b8r h GLU 1114Cb 0.18 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3b8r h GLU 1114CO -0.23 0.68 -0.03 0.35 -1.18 0.00 0.00 179.01 178.60 3b8r h PHE 1115N 1.05 -0.09 -0.62 0.92 3.57 -1.60 -2.09 116.94 118.08 3b8r h PHE 1115Ca 0.41 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 3b8r h PHE 1115Cb 0.23 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3b8r h PHE 1115CO -0.00 0.07 0.35 0.00 -2.23 0.00 0.00 178.31 176.49 3b8r h ARG 1117N 0.86 -0.50 -0.62 0.00 2.43 -0.94 -2.49 114.38 113.12 3b8r h ARG 1117Ca 0.22 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3b8r h ARG 1117Cb 0.01 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3b8r h ARG 1117CO -0.04 -0.27 0.41 0.00 -1.51 0.00 0.00 179.97 178.56 3b8r h ARG 1118N -0.62 0.74 -0.97 0.20 3.08 -1.25 0.52 114.38 116.09 3b8r h ARG 1118Ca -0.05 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.02 3b8r h ARG 1118Cb 0.46 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 3b8r h ARG 1118CO 0.09 0.49 0.62 1.25 -1.07 0.00 0.00 179.97 181.34 3b8r h LEU 1119N 0.76 0.98 -0.06 3.04 5.85 -1.26 0.16 115.31 124.77 3b8r h LEU 1119Ca 0.24 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3b8r h LEU 1119Cb 0.02 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3b8r h LEU 1119CO -0.06 0.61 -0.20 0.11 -0.34 0.00 0.00 178.44 178.56 3b8r h LYS 1120N 1.11 0.25 -0.49 1.25 1.57 -0.24 -3.09 116.57 116.92 3b8r h LYS 1120Ca 0.42 -0.18 0.14 0.00 -1.87 0.00 0.00 60.65 59.16 3b8r h LYS 1120Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3b8r h LYS 1120CO -0.18 0.81 0.41 0.93 -0.57 0.00 0.00 179.45 180.84 3b8r h GLU 1121N -0.26 0.00 0.00 3.15 4.39 0.71 -3.45 114.58 119.12 3b8r h GLU 1121Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3b8r h GLU 1121Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3b8r h GLU 1121CO 0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 3b8r n GLY 1122N -1.58 1.01 3.77 -3.84 0.00 0.34 -5.06 105.19 99.83 3b8r n GLY 1122Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3b8r n GLY 1122CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8r s THR 1123N -1.96 2.76 0.14 2.61 2.01 0.02 -4.99 115.64 116.24 3b8r s THR 1123Ca 0.00 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.78 3b8r s THR 1123Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3b8r s THR 1123CO 0.00 0.18 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.95 3b8r s ARG 1124N -1.82 1.00 0.59 4.92 1.81 -1.26 -4.47 118.95 119.72 3b8r s ARG 1124Ca 0.49 -1.46 -0.18 0.00 -1.72 0.00 0.00 55.73 52.86 3b8r s ARG 1124Cb -0.39 -0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 33.83 3b8r s ARG 1124CO 0.52 -0.09 1.15 -1.64 -0.68 0.00 0.00 175.30 174.56 3b8r s MET 1125N -3.88 3.11 0.59 3.54 -1.94 -1.26 -5.02 119.30 114.44 3b8r s MET 1125Ca 0.19 1.63 -0.10 0.00 -1.71 0.00 0.00 55.69 55.70 3b8r s MET 1125Cb 0.06 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 3b8r s MET 1125CO 0.01 -1.05 0.99 1.03 -0.01 0.00 0.00 175.02 175.98 3b8r s ARG 1126N -3.48 3.61 0.24 2.03 0.52 -1.26 -4.98 118.95 115.64 3b8r s ARG 1126Ca 0.73 0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 56.30 3b8r s ARG 1126Cb -0.25 -2.13 -0.13 0.00 0.52 0.00 0.00 34.95 32.96 3b8r s ARG 1126CO 0.32 -0.50 1.41 0.00 0.02 0.00 0.00 175.30 176.55 3b8r n ALA 1127N -2.61 1.16 -1.58 2.13 0.00 -1.26 -4.97 120.51 113.39 3b8r n ALA 1127Ca 0.05 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 3b8r n ALA 1127Cb 0.54 -2.28 0.04 0.00 0.00 0.00 0.00 19.45 17.76 3b8r n ALA 1127CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3b8r s PRO 1128N -0.44 2.99 0.55 0.00 0.04 -1.26 -4.97 135.00 131.91 3b8r s PRO 1128Ca 0.68 1.01 0.23 0.00 0.04 0.00 0.00 61.00 62.96 3b8r s PRO 1128Cb -0.64 -2.00 1.46 0.00 0.04 0.00 0.00 34.50 33.36 3b8r s PRO 1128CO 0.50 -1.06 2.13 -0.44 0.04 0.00 0.00 177.00 178.16 3b8r h ASP 1129N -0.51 0.00 -0.42 6.66 3.32 -1.92 -2.73 116.42 120.83 3b8r h ASP 1129Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3b8r h ASP 1129Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3b8r h ASP 1129CO 0.57 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.87 3b8r n TYR 1130N -4.25 1.07 -2.54 4.55 4.02 -0.39 -5.01 117.16 114.60 3b8r n TYR 1130Ca 0.01 -0.69 -0.31 0.00 -0.01 0.00 0.00 57.90 56.89 3b8r n TYR 1130Cb 0.24 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 3b8r n TYR 1130CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3b8r s THR 1131N -2.07 4.63 0.43 -0.72 -1.32 -1.03 -4.91 115.64 110.65 3b8r s THR 1131Ca 0.41 0.99 0.08 0.00 -1.21 0.00 0.00 61.69 61.96 3b8r s THR 1131Cb 0.29 -3.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 3b8r s THR 1131CO 0.16 -0.64 0.53 0.42 -2.21 0.00 0.00 174.62 172.87 3b8r s THR 1132N -2.55 2.86 0.07 5.08 -4.23 -1.26 -4.97 115.64 110.63 3b8r s THR 1132Ca 0.56 -1.10 -0.31 0.00 -1.18 0.00 0.00 61.69 59.66 3b8r s THR 1132Cb -0.10 -2.95 -0.18 0.00 1.34 0.00 0.00 72.50 70.60 3b8r s THR 1132CO 0.32 0.00 1.62 -0.65 -0.54 0.00 0.00 174.62 175.36 3b8r h PRO 1133N 0.72 -0.77 -0.71 3.99 0.11 -2.00 -2.55 132.00 130.80 3b8r h PRO 1133Ca -0.40 0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.90 3b8r h PRO 1133Cb 1.28 0.17 -0.10 0.00 0.11 0.00 0.00 31.00 32.47 3b8r h PRO 1133CO 0.48 -0.50 0.23 0.93 -0.21 0.00 0.00 178.00 178.93 3b8r h GLU 1134N -0.81 0.35 -0.55 1.05 3.07 -2.00 -2.32 114.58 113.37 3b8r h GLU 1134Ca -0.08 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 3b8r h GLU 1134Cb 0.62 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3b8r h GLU 1134CO 0.13 0.23 0.19 1.98 -1.40 0.00 0.00 179.01 180.15 3b8r h MET 1135N 0.36 0.84 0.00 2.33 4.05 -1.95 -1.64 114.93 118.92 3b8r h MET 1135Ca 0.39 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 3b8r h MET 1135Cb 0.60 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 3b8r h MET 1135CO -0.42 0.75 -0.21 -0.92 0.23 0.00 0.00 176.91 176.33 3b8r h TYR 1136N 0.75 0.00 -0.28 1.39 3.20 -0.99 -1.57 116.97 119.47 3b8r h TYR 1136Ca 0.18 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 3b8r h TYR 1136Cb 0.24 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 3b8r h TYR 1136CO 0.01 0.21 -0.54 0.37 -1.64 0.00 0.00 178.16 176.58 3b8r h GLN 1137N 0.00 0.83 -0.88 1.82 5.75 -1.02 -1.90 115.11 119.71 3b8r h GLN 1137Ca -0.00 -0.52 0.01 0.00 -0.15 0.00 0.00 58.65 57.99 3b8r h GLN 1137Cb 0.38 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 3b8r h GLN 1137CO 0.03 1.15 0.58 1.15 -2.65 0.00 0.00 178.83 179.09 3b8r h THR 1138N 0.64 1.22 0.90 2.39 2.02 -0.39 0.27 112.91 119.95 3b8r h THR 1138Ca 0.02 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3b8r h THR 1138Cb 1.14 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3b8r h THR 1138CO 0.12 0.22 -0.43 0.24 0.37 0.00 0.00 175.52 176.03 3b8r h MET 1139N 1.19 -1.16 -0.88 6.66 2.86 -1.08 -0.86 114.93 121.65 3b8r h MET 1139Ca 0.32 0.08 0.22 0.00 -2.06 0.00 0.00 59.70 58.27 3b8r h MET 1139Cb -0.13 0.26 -0.13 0.00 0.06 0.00 0.00 31.60 31.67 3b8r h MET 1139CO -0.07 -0.77 0.31 -0.07 1.06 0.00 0.00 176.91 177.37 3b8r h LEU 1140N -1.24 0.17 -0.63 1.22 3.38 -0.76 0.45 115.31 117.90 3b8r h LEU 1140Ca -0.12 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3b8r h LEU 1140Cb 0.92 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3b8r h LEU 1140CO 0.20 -0.07 0.39 0.44 0.09 0.00 0.00 178.44 179.49 3b8r h ASP 1141N 0.30 0.74 0.15 -0.43 3.32 -0.26 -1.74 116.42 118.51 3b8r h ASP 1141Ca 0.55 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.52 3b8r h ASP 1141Cb 1.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3b8r h ASP 1141CO -0.58 0.57 -0.16 0.00 -1.72 0.00 0.00 179.24 177.35 3b8r n TRP 1143N -4.35 1.53 -1.76 0.00 8.01 -0.09 -3.83 117.44 116.96 3b8r n TRP 1143Ca -0.02 -0.75 -0.41 0.00 -1.31 0.00 0.00 57.50 55.01 3b8r n TRP 1143Cb 0.23 -0.47 0.01 0.00 -2.01 0.00 0.00 31.31 29.07 3b8r n TRP 1143CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3b8r n HIS 1144N 0.10 2.77 -0.29 -5.99 -0.00 -0.96 -4.91 115.22 105.95 3b8r n HIS 1144Ca 0.24 0.45 -0.04 0.00 0.46 0.00 0.00 57.72 58.83 3b8r n HIS 1144Cb 0.98 -2.48 0.07 0.00 -0.12 0.00 0.00 29.99 28.44 3b8r n HIS 1144CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3b8r h GLY 1145N 2.55 1.12 -6.20 1.57 0.00 -1.92 -3.40 103.07 96.80 3b8r h GLY 1145Ca -0.50 -0.44 -0.60 0.00 0.00 0.00 0.00 47.33 45.78 3b8r h GLY 1145CO 0.62 0.43 0.22 -0.54 0.00 0.00 0.00 176.54 177.27 3b8r s GLU 1146N -6.06 4.15 0.14 4.80 0.41 -1.26 -4.96 118.70 115.92 3b8r s GLU 1146Ca -0.13 0.65 -0.20 0.00 -0.41 0.00 0.00 54.97 54.88 3b8r s GLU 1146Cb 0.15 -3.63 0.02 0.00 -1.78 0.00 0.00 34.13 28.89 3b8r s GLU 1146CO 0.79 -0.40 1.67 -1.35 -0.49 0.00 0.00 175.26 175.49 3b8r h PRO 1147N 7.76 -0.08 -0.31 0.39 0.11 -1.95 -1.31 132.00 136.60 3b8r h PRO 1147Ca -0.27 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.94 3b8r h PRO 1147Cb 1.12 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3b8r h PRO 1147CO 0.79 -0.05 0.42 0.66 -0.21 0.00 0.00 178.00 179.61 3b8r h SER 1148N -0.09 0.00 0.09 -2.05 4.64 -1.95 0.14 113.55 114.33 3b8r h SER 1148Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3b8r h SER 1148Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3b8r h SER 1148CO -0.30 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.51 3b8r n GLN 1149N -3.53 1.35 -2.65 4.77 1.13 -0.50 -4.91 117.38 113.03 3b8r n GLN 1149Ca 0.05 -0.87 -0.32 0.00 -1.94 0.00 0.00 57.00 53.91 3b8r n GLN 1149Cb 0.56 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.38 3b8r n GLN 1149CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3b8r s ARG 1150N -2.26 4.05 0.81 -1.09 0.52 0.50 -4.96 118.95 116.52 3b8r s ARG 1150Ca 0.29 0.96 -0.10 0.00 -0.52 0.00 0.00 55.73 56.36 3b8r s ARG 1150Cb 0.20 -2.20 0.08 0.00 0.52 0.00 0.00 34.95 33.55 3b8r s ARG 1150CO 0.43 -0.13 1.10 -1.25 0.02 0.00 0.00 175.30 175.48 3b8r s PRO 1151N -3.62 1.95 0.33 3.54 0.04 -1.26 -5.04 135.00 130.94 3b8r s PRO 1151Ca 0.59 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.86 3b8r s PRO 1151Cb -0.10 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3b8r s PRO 1151CO 0.23 -1.88 0.51 0.95 0.04 0.00 0.00 177.00 176.86 3b8r s THR 1152N -2.86 4.85 0.49 1.26 -4.23 -1.26 -4.94 115.64 108.94 3b8r s THR 1152Ca 0.62 -0.67 0.21 0.00 -1.18 0.00 0.00 61.69 60.68 3b8r s THR 1152Cb -0.18 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.17 3b8r s THR 1152CO 0.56 -0.42 2.10 -0.26 -0.54 0.00 0.00 174.62 176.06 3b8r h PHE 1153N 0.82 0.00 -0.30 3.99 0.04 -1.94 -0.31 116.94 119.24 3b8r h PHE 1153Ca -0.49 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.22 3b8r h PHE 1153Cb 1.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 3b8r h PHE 1153CO 0.48 0.09 -0.02 0.77 -0.60 0.00 0.00 178.31 179.03 3b8r h SER 1154N 0.00 0.53 -0.65 2.17 0.02 -1.94 0.53 113.55 114.22 3b8r h SER 1154Ca -0.00 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3b8r h SER 1154Cb 0.19 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3b8r h SER 1154CO 0.01 0.73 0.27 -0.33 -1.14 0.00 0.00 176.83 176.37 3b8r h GLU 1155N 0.32 0.96 -0.51 3.45 5.08 -1.72 -2.29 114.58 119.87 3b8r h GLU 1155Ca 0.08 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3b8r h GLU 1155Cb 0.47 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3b8r h GLU 1155CO 0.02 0.80 0.18 -0.07 -1.00 0.00 0.00 179.01 178.94 3b8r h LEU 1156N 0.91 0.68 -0.50 1.33 3.38 -0.85 -0.21 115.31 120.05 3b8r h LEU 1156Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3b8r h LEU 1156Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3b8r h LEU 1156CO -0.02 0.64 0.14 0.58 0.09 0.00 0.00 178.44 179.87 3b8r h VAL 1157N 0.74 1.23 -0.02 1.22 2.07 -0.36 -0.61 116.25 120.52 3b8r h VAL 1157Ca 0.17 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3b8r h VAL 1157Cb 0.19 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3b8r h VAL 1157CO -0.01 0.29 -0.01 -0.08 0.02 0.00 0.00 177.57 177.78 3b8r h GLU 1158N 0.68 0.03 0.33 1.57 4.81 -1.04 -0.51 114.58 120.45 3b8r h GLU 1158Ca 0.16 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3b8r h GLU 1158Cb 0.30 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3b8r h GLU 1158CO -0.00 0.43 -0.51 1.25 -0.73 0.00 0.00 179.01 179.45 3b8r h HIS 1159N -0.36 -1.43 -0.15 0.92 2.76 -0.96 0.16 115.15 116.08 3b8r h HIS 1159Ca 0.00 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 3b8r h HIS 1159Cb 0.42 0.58 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 3b8r h HIS 1159CO 0.07 -0.63 0.10 -0.07 -1.30 0.00 0.00 177.93 176.09 3b8r h LEU 1160N -0.89 0.09 -0.71 0.26 3.38 -1.18 -0.19 115.31 116.07 3b8r h LEU 1160Ca -0.03 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3b8r h LEU 1160Cb 0.82 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3b8r h LEU 1160CO -0.16 0.06 0.24 1.23 0.09 0.00 0.00 178.44 179.90 3b8r h GLY 1161N 0.11 1.17 1.35 0.83 0.00 0.03 -0.65 103.07 105.90 3b8r h GLY 1161Ca 0.06 -0.68 -0.20 0.00 0.00 0.00 0.00 47.33 46.52 3b8r h GLY 1161CO -0.01 0.63 -0.69 3.43 0.00 0.00 0.00 176.54 179.90 3b8r h ASN 1162N 1.03 0.76 -0.13 0.19 2.35 0.65 -2.79 115.58 117.65 3b8r h ASN 1162Ca 0.23 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 3b8r h ASN 1162Cb 0.27 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3b8r h ASN 1162CO -0.01 1.24 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.87 3b8r h LEU 1163N 0.47 0.41 -0.35 1.61 3.38 -0.90 0.32 115.31 120.24 3b8r h LEU 1163Ca -0.03 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3b8r h LEU 1163Cb 1.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3b8r h LEU 1163CO 0.14 0.52 0.01 0.25 0.09 0.00 0.00 178.44 179.45 3b8r h LEU 1164N 0.41 0.60 -0.85 1.67 5.85 -1.03 -2.75 115.31 119.21 3b8r h LEU 1164Ca 0.08 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 3b8r h LEU 1164Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3b8r h LEU 1164CO 0.02 0.76 -0.23 1.56 -0.34 0.00 0.00 178.44 180.20 3b8r h GLN 1165N 0.44 0.60 0.00 1.25 1.08 -1.19 -3.51 115.11 113.78 3b8r h GLN 1165Ca 0.10 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3b8r h GLN 1165Cb 0.44 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3b8r h GLN 1165CO 0.02 0.78 0.00 0.00 -0.95 0.00 0.00 178.83 178.68