#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8r h ARG 819 N 0.00 0.29 -6.99 3.49 0.11 -2.02 -3.40 114.38 105.86 3b8r h ARG 819 Ca 0.00 -0.02 -0.55 0.00 0.10 0.00 0.00 59.98 59.51 3b8r h ARG 819 Cb 0.00 -0.07 0.13 0.00 1.11 0.00 0.00 29.97 31.15 3b8r h ARG 819 CO 0.00 0.19 0.60 1.28 0.10 0.00 0.00 179.97 182.14 3b8r n LEU 820 N -4.61 5.16 -4.94 0.08 4.77 -1.26 -5.02 117.00 111.18 3b8r n LEU 820 Ca 0.28 1.03 -0.27 0.00 -0.03 0.00 0.00 56.01 57.01 3b8r n LEU 820 Cb 1.02 -1.57 0.12 0.00 -2.33 0.00 0.00 43.42 40.66 3b8r n LEU 820 CO 0.25 -0.51 0.72 -2.16 -1.33 0.00 0.00 177.39 174.36 3b8r s PRO 821 N -2.67 1.51 -0.12 3.23 0.04 -1.26 -5.06 135.00 130.67 3b8r s PRO 821 Ca 0.67 -0.42 -0.03 0.00 0.04 0.00 0.00 61.00 61.26 3b8r s PRO 821 Cb -0.44 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.09 3b8r s PRO 821 CO 0.53 -1.75 0.05 -0.47 0.04 0.00 0.00 177.00 175.40 3b8r s TYR 822 N -3.50 0.42 -0.71 0.56 5.04 -1.26 -4.95 117.35 112.95 3b8r s TYR 822 Ca 0.66 -0.25 -0.19 0.00 -2.44 0.00 0.00 57.07 54.86 3b8r s TYR 822 Cb -0.07 -0.73 0.12 0.00 0.35 0.00 0.00 41.96 41.63 3b8r s TYR 822 CO 0.48 -0.41 0.86 0.34 -1.34 0.00 0.00 175.55 175.48 3b8r s ASP 823 N 2.06 6.35 0.34 4.32 -1.08 -1.26 -4.90 116.67 122.50 3b8r s ASP 823 Ca 0.03 -1.63 0.02 0.00 -0.52 0.00 0.00 52.55 50.45 3b8r s ASP 823 Cb -0.14 -2.34 0.59 0.00 -1.46 0.00 0.00 42.92 39.57 3b8r s ASP 823 CO -0.07 -1.11 1.97 0.00 0.52 0.00 0.00 175.17 176.48 3b8r h ALA 824 N 9.03 1.47 -0.95 3.66 0.00 -1.98 -1.81 119.26 128.67 3b8r h ALA 824 Ca -0.14 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3b8r h ALA 824 Cb 1.06 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3b8r h ALA 824 CO 1.08 0.44 0.61 0.77 0.00 0.00 0.00 179.25 182.15 3b8r h SER 825 N 0.81 0.86 0.21 0.00 0.02 -1.93 -0.00 113.55 113.52 3b8r h SER 825 Ca 0.21 0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.84 3b8r h SER 825 Cb 0.01 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3b8r h SER 825 CO -0.04 0.49 -1.82 0.50 -1.14 0.00 0.00 176.83 174.82 3b8r h LYS 826 N 0.94 0.32 0.00 3.45 3.64 -1.86 -3.42 116.57 119.64 3b8r h LYS 826 Ca 0.45 -0.55 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 3b8r h LYS 826 Cb 0.45 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3b8r h LYS 826 CO -0.21 1.23 -1.99 0.91 -2.27 0.00 0.00 179.45 177.12 3b8r n TRP 827 N -3.52 0.00 -1.82 1.91 7.02 -0.73 -5.00 117.44 115.31 3b8r n TRP 827 Ca -0.26 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.81 3b8r n TRP 827 Cb 1.06 -0.58 -0.01 0.00 -2.42 0.00 0.00 31.31 29.36 3b8r n TRP 827 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3b8r s GLU 828 N -3.04 4.13 -0.01 -0.99 2.56 -0.03 -0.95 118.70 120.37 3b8r s GLU 828 Ca -0.08 2.55 0.02 0.00 0.00 0.00 0.00 54.97 57.46 3b8r s GLU 828 Cb 0.10 -3.00 -0.00 0.00 2.00 0.00 0.00 34.13 33.23 3b8r s GLU 828 CO 0.78 -0.55 -0.07 0.12 -0.56 0.00 0.00 175.26 174.97 3b8r s PHE 829 N -0.63 0.71 0.14 5.30 5.36 0.08 -4.79 117.98 124.15 3b8r s PHE 829 Ca 0.57 -0.15 -0.31 0.00 -0.96 0.00 0.00 56.93 56.08 3b8r s PHE 829 Cb -0.46 -0.49 -0.08 0.00 -0.34 0.00 0.00 43.02 41.64 3b8r s PHE 829 CO 0.56 -0.05 1.41 -2.14 -1.46 0.00 0.00 175.22 173.54 3b8r s PRO 830 N 0.03 4.31 0.28 10.12 0.02 -1.26 -4.45 135.00 144.06 3b8r s PRO 830 Ca -0.00 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.13 3b8r s PRO 830 Cb -0.05 -3.22 0.46 0.00 0.02 0.00 0.00 34.50 31.71 3b8r s PRO 830 CO -0.00 -0.44 1.89 0.00 -0.33 0.00 0.00 177.00 178.12 3b8r h ARG 831 N 6.57 1.08 -0.75 5.54 3.08 -1.96 -1.84 114.38 126.10 3b8r h ARG 831 Ca -0.43 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3b8r h ARG 831 Cb 1.21 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3b8r h ARG 831 CO 0.86 0.72 0.00 -0.40 -1.07 0.00 0.00 179.97 180.07 3b8r n ASP 832 N -4.50 0.75 -0.36 7.04 5.75 -1.26 -1.70 116.55 122.27 3b8r n ASP 832 Ca 0.15 -1.73 0.04 0.00 -0.01 0.00 0.00 54.79 53.24 3b8r n ASP 832 Cb 0.20 -0.38 0.05 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.01 0.52 -4.86 0.11 5.12 -0.69 -4.96 116.66 111.89 3b8r n ARG 833 Ca 0.00 -1.12 -0.33 0.00 -1.93 0.00 0.00 57.85 54.47 3b8r n ARG 833 Cb 0.19 -1.17 -0.14 0.00 -1.16 0.00 0.00 32.46 30.18 3b8r n ARG 833 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3b8r s LEU 834 N -0.74 2.71 -0.46 0.55 1.43 -0.69 -0.93 118.68 120.54 3b8r s LEU 834 Ca 0.11 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3b8r s LEU 834 Cb 0.07 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.85 3b8r s LEU 834 CO 0.11 0.28 0.22 -0.75 0.23 0.00 0.00 176.35 176.43 3b8r s LYS 835 N -0.32 1.93 -0.04 1.70 2.20 0.81 -4.95 119.74 121.08 3b8r s LYS 835 Ca 0.03 -2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 53.10 3b8r s LYS 835 Cb -0.13 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 3b8r s LYS 835 CO 0.03 -1.06 1.86 -0.51 -0.36 0.00 0.00 175.35 175.31 3b8r s LEU 836 N 0.37 4.26 0.00 5.43 1.43 -1.26 -1.85 118.68 127.06 3b8r s LEU 836 Ca 0.14 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3b8r s LEU 836 Cb -0.22 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3b8r s LEU 836 CO -0.04 -1.12 0.00 0.61 0.23 0.00 0.00 176.35 176.03 3b8r n GLY 837 N 4.54 1.49 3.82 -3.19 0.00 0.34 -4.96 105.19 107.23 3b8r n GLY 837 Ca 0.20 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 4.69 3.95 0.70 1.61 -2.85 -1.25 -4.65 119.74 121.95 3b8r s LYS 838 Ca 0.00 1.13 -0.13 0.00 -1.00 0.00 0.00 55.97 55.97 3b8r s LYS 838 Cb 0.00 -2.13 0.02 0.00 -2.06 0.00 0.00 37.83 33.66 3b8r s LYS 838 CO 0.00 -0.28 1.09 -2.14 0.10 0.00 0.00 175.35 174.12 3b8r s PRO 839 N -3.57 2.68 0.00 1.78 0.02 -1.26 -0.45 135.00 134.19 3b8r s PRO 839 Ca 0.62 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3b8r s PRO 839 Cb -0.12 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3b8r s PRO 839 CO 0.23 -1.32 0.00 1.28 -0.33 0.00 0.00 177.00 176.86 3b8r n LEU 840 N -2.89 0.77 0.03 -5.54 4.77 0.04 -4.76 117.00 109.43 3b8r n LEU 840 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3b8r n LEU 840 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3b8r n LEU 840 CO 0.51 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3b8r n GLY 841 N 2.34 -0.74 3.28 -0.72 0.00 -1.26 -4.97 105.19 103.11 3b8r n GLY 841 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3b8r n GLY 841 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3b8r s GLN 847 N -2.00 0.97 -0.15 1.61 -2.07 -1.04 -4.67 119.66 112.31 3b8r s GLN 847 Ca 0.00 -0.73 -0.10 0.00 -1.82 0.00 0.00 55.36 52.71 3b8r s GLN 847 Cb 0.00 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 3b8r s GLN 847 CO 0.00 -0.35 0.17 0.08 -1.32 0.00 0.00 175.29 173.87 3b8r s VAL 848 N -3.60 5.41 0.04 3.63 1.01 -1.26 -2.11 120.40 123.53 3b8r s VAL 848 Ca 0.02 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.34 3b8r s VAL 848 Cb 0.02 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3b8r s VAL 848 CO -0.10 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.72 3b8r s ILE 849 N -0.25 1.30 0.20 2.22 1.01 0.14 -0.78 121.20 125.03 3b8r s ILE 849 Ca 0.13 -1.08 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 3b8r s ILE 849 Cb -0.12 -1.16 -0.08 0.00 0.01 0.00 0.00 42.46 41.11 3b8r s ILE 849 CO 0.02 0.06 0.70 -0.70 0.00 0.00 0.00 174.94 175.02 3b8r s GLU 850 N -1.18 4.25 0.25 2.79 2.12 0.40 0.62 118.70 127.95 3b8r s GLU 850 Ca 0.03 0.84 -0.20 0.00 0.36 0.00 0.00 54.97 56.00 3b8r s GLU 850 Cb -0.08 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.38 3b8r s GLU 850 CO 0.02 0.44 0.67 0.00 -0.54 0.00 0.00 175.26 175.84 3b8r s ALA 851 N -1.44 -1.18 -0.11 6.30 0.00 0.05 0.13 121.76 125.50 3b8r s ALA 851 Ca 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3b8r s ALA 851 Cb -0.17 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3b8r s ALA 851 CO 0.21 -0.96 -0.12 -0.51 0.00 0.00 0.00 175.76 174.38 3b8r s ASP 852 N -2.90 4.12 -0.06 0.00 1.01 -0.77 0.16 116.67 118.23 3b8r s ASP 852 Ca 0.10 -0.26 0.05 0.00 0.71 0.00 0.00 52.55 53.15 3b8r s ASP 852 Cb -0.04 -1.42 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 3b8r s ASP 852 CO 0.03 0.22 -0.22 0.00 0.21 0.00 0.00 175.17 175.42 3b8r s ALA 853 N 0.03 2.31 -0.29 5.23 0.00 0.11 -0.14 121.76 129.01 3b8r s ALA 853 Ca -0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 3b8r s ALA 853 Cb -0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3b8r s ALA 853 CO 0.04 0.42 0.14 -0.06 0.00 0.00 0.00 175.76 176.30 3b8r s PHE 854 N -0.21 3.16 -0.10 0.00 0.40 -0.11 -1.47 117.98 119.66 3b8r s PHE 854 Ca -0.02 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3b8r s PHE 854 Cb -0.13 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.07 3b8r s PHE 854 CO 0.03 -0.39 0.00 0.41 0.70 0.00 0.00 175.22 175.97 3b8r n GLY 855 N 4.98 0.43 0.26 4.36 0.00 -0.87 -4.93 105.19 109.42 3b8r n GLY 855 Ca -0.14 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 0.91 -3.57 -0.61 6.09 -1.80 -3.45 117.51 115.09 3b8r h ILE 856 Ca -0.02 -0.25 -0.40 0.00 -1.37 0.00 0.00 64.86 62.81 3b8r h ILE 856 Cb 0.22 1.14 -0.14 0.00 0.47 0.00 0.00 36.82 38.51 3b8r h ILE 856 CO 0.03 0.07 -0.59 1.51 -3.07 0.00 0.00 178.15 176.10 3b8r s ASP 857 N -6.78 1.61 0.35 2.19 1.47 -1.26 -4.92 116.67 109.32 3b8r s ASP 857 Ca -0.04 -1.46 0.16 0.00 1.18 0.00 0.00 52.55 52.39 3b8r s ASP 857 Cb 0.16 0.22 1.11 0.00 -0.34 0.00 0.00 42.92 44.06 3b8r s ASP 857 CO 0.65 -0.77 1.67 0.11 0.68 0.00 0.00 175.17 177.50 3b8r h LYS 858 N 2.24 0.31 0.00 2.11 1.79 -2.00 -0.43 116.57 120.59 3b8r h LYS 858 Ca -0.37 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3b8r h LYS 858 Cb 1.25 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3b8r h LYS 858 CO 0.59 0.21 0.15 0.25 -1.08 0.00 0.00 179.45 179.57 3b8r n THR 859 N -5.00 1.18 -1.52 -0.16 -2.24 -1.26 -4.77 114.28 100.52 3b8r n THR 859 Ca 0.32 0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 62.61 3b8r n THR 859 Cb 1.00 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.50 -0.28 -2.82 6.98 0.00 -0.17 -4.92 120.51 117.80 3b8r n ALA 860 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3b8r n ALA 860 Cb 0.16 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.96 0.00 -3.85 0.00 -2.24 -1.26 -4.52 114.28 100.45 3b8r n THR 861 Ca -0.10 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3b8r n THR 861 Cb 0.38 -1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.92 0.39 0.12 0.00 3.52 -0.54 -4.98 118.95 116.54 3b8r s ARG 863 Ca 0.15 -0.27 -0.28 0.00 -0.13 0.00 0.00 55.73 55.19 3b8r s ARG 863 Cb -0.12 -0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 32.88 3b8r s ARG 863 CO 0.04 0.08 0.89 0.99 -0.81 0.00 0.00 175.30 176.50 3b8r s THR 864 N -0.36 4.48 0.14 4.11 2.01 -1.26 -0.72 115.64 124.05 3b8r s THR 864 Ca -0.01 1.93 -0.04 0.00 0.31 0.00 0.00 61.69 63.89 3b8r s THR 864 Cb -0.03 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 3b8r s THR 864 CO -0.00 0.38 0.13 0.68 -0.69 0.00 0.00 174.62 175.12 3b8r s VAL 865 N -0.31 0.09 -0.14 3.82 -7.23 0.12 -4.02 120.40 112.73 3b8r s VAL 865 Ca 0.43 -1.75 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3b8r s VAL 865 Cb -0.23 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 3b8r s VAL 865 CO 0.28 -0.39 -0.05 0.00 -0.31 0.00 0.00 175.10 174.63 3b8r s ALA 866 N -4.03 2.98 -0.10 1.32 0.00 -0.60 -0.77 121.76 120.56 3b8r s ALA 866 Ca 0.22 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.38 3b8r s ALA 866 Cb 0.06 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3b8r s ALA 866 CO 0.02 0.29 -0.20 0.08 0.00 0.00 0.00 175.76 175.95 3b8r s VAL 867 N 0.12 1.80 -0.26 0.00 1.01 0.20 -1.49 120.40 121.79 3b8r s VAL 867 Ca -0.01 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3b8r s VAL 867 Cb -0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3b8r s VAL 867 CO 0.03 0.50 0.09 -0.75 0.00 0.00 0.00 175.10 174.97 3b8r s LYS 868 N 0.58 3.70 0.12 2.72 2.20 -0.72 0.23 119.74 128.58 3b8r s LYS 868 Ca -0.14 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.05 3b8r s LYS 868 Cb -0.17 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3b8r s LYS 868 CO 0.04 -0.19 -0.10 0.00 -0.36 0.00 0.00 175.35 174.74 3b8r s MET 869 N 1.64 0.97 0.35 4.03 0.23 -0.90 -1.76 119.30 123.86 3b8r s MET 869 Ca 0.06 -1.32 -0.25 0.00 -1.03 0.00 0.00 55.69 53.15 3b8r s MET 869 Cb -0.15 -0.60 -0.10 0.00 -1.53 0.00 0.00 34.83 32.45 3b8r s MET 869 CO 0.05 0.08 0.97 -0.51 -2.03 0.00 0.00 175.02 173.58 3b8r s LEU 870 N -2.85 4.25 0.79 0.18 1.43 -1.19 -2.49 118.68 118.79 3b8r s LEU 870 Ca 0.12 1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 3b8r s LEU 870 Cb 0.00 -4.12 0.06 0.00 0.03 0.00 0.00 46.19 42.17 3b8r s LEU 870 CO 0.00 -0.20 1.10 -0.54 0.23 0.00 0.00 176.35 176.95 3b8r s LYS 871 N -2.29 2.18 0.21 1.70 1.02 -1.26 -4.87 119.74 116.43 3b8r s LYS 871 Ca 0.53 0.54 -0.32 0.00 0.02 0.00 0.00 55.97 56.75 3b8r s LYS 871 Cb -0.18 -1.94 -0.14 0.00 -0.52 0.00 0.00 37.83 35.05 3b8r s LYS 871 CO 0.23 -1.53 1.42 0.39 -0.92 0.00 0.00 175.35 174.94 3b8r n GLU 872 N -3.36 1.94 -3.76 1.68 1.02 -1.26 -2.77 120.64 114.13 3b8r n GLU 872 Ca 0.07 0.69 -0.34 0.00 -0.02 0.00 0.00 57.16 57.56 3b8r n GLU 872 Cb 0.57 -2.36 0.04 0.00 -0.02 0.00 0.00 31.44 29.67 3b8r n GLU 872 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b8r n GLY 873 N 2.40 -0.98 3.82 0.62 0.00 -1.26 -4.94 105.19 104.84 3b8r n GLY 873 Ca 0.13 0.44 -0.35 0.00 0.00 0.00 0.00 46.02 46.24 3b8r n GLY 873 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8r s ALA 874 N -3.44 3.32 0.25 4.61 0.00 -1.12 -4.99 121.76 120.40 3b8r s ALA 874 Ca 0.45 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.31 3b8r s ALA 874 Cb -0.18 -2.89 -0.13 0.00 0.00 0.00 0.00 23.12 19.91 3b8r s ALA 874 CO 0.89 0.29 1.39 2.41 0.00 0.00 0.00 175.76 180.73 3b8r n THR 875 N 0.26 1.06 0.00 0.00 -1.04 -1.26 -4.75 114.28 108.56 3b8r n THR 875 Ca 0.01 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3b8r n THR 875 Cb 0.52 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 3b8r n THR 875 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3b8r n HIS 876 N 1.73 0.00 0.01 -1.42 -0.00 -1.26 0.10 115.22 114.37 3b8r n HIS 876 Ca 0.11 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.11 3b8r n HIS 876 Cb 0.32 -0.13 -0.14 0.00 -0.12 0.00 0.00 29.99 29.91 3b8r n HIS 876 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3b8r h SER 877 N 0.00 0.33 0.91 0.26 0.87 -2.00 -3.21 113.55 110.71 3b8r h SER 877 Ca 0.00 -0.72 -0.04 0.00 -1.23 0.00 0.00 61.79 59.80 3b8r h SER 877 Cb 0.08 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3b8r h SER 877 CO 0.00 1.64 -0.20 -0.33 -0.53 0.00 0.00 176.83 177.41 3b8r h GLU 878 N 0.06 0.00 0.21 2.24 5.08 0.33 -2.07 114.58 120.43 3b8r h GLU 878 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3b8r h GLU 878 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 3b8r h GLU 878 CO 0.10 0.20 -0.10 1.25 -1.00 0.00 0.00 179.01 179.45 3b8r h HIS 879 N 0.00 -0.27 0.00 4.33 2.76 -1.52 -1.71 115.15 118.75 3b8r h HIS 879 Ca -0.00 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 3b8r h HIS 879 Cb 0.71 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 3b8r h HIS 879 CO 0.00 0.13 -0.20 0.00 -1.30 0.00 0.00 177.93 176.56 3b8r h ARG 880 N -0.83 0.00 0.80 5.26 3.08 -1.55 0.13 114.38 121.27 3b8r h ARG 880 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3b8r h ARG 880 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.57 3b8r h ARG 880 CO 0.05 0.20 -0.39 0.00 -1.07 0.00 0.00 179.97 178.76 3b8r h ALA 881 N 1.80 -1.08 -0.01 0.04 0.00 -1.32 0.17 119.26 118.87 3b8r h ALA 881 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3b8r h ALA 881 Cb 0.48 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3b8r h ALA 881 CO 0.03 -1.06 -0.14 1.25 0.00 0.00 0.00 179.25 179.32 3b8r h LEU 882 N -1.18 0.01 -0.72 0.00 5.85 -0.98 -1.57 115.31 116.72 3b8r h LEU 882 Ca -0.11 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 3b8r h LEU 882 Cb 0.84 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3b8r h LEU 882 CO 0.18 0.16 -0.32 0.24 -0.34 0.00 0.00 178.44 178.35 3b8r h MET 883 N 0.01 0.62 0.00 1.25 2.86 -0.45 -2.31 114.93 116.90 3b8r h MET 883 Ca 0.00 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 3b8r h MET 883 Cb 0.26 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3b8r h MET 883 CO 0.02 0.86 -0.39 0.66 1.06 0.00 0.00 176.91 179.12 3b8r h SER 884 N 0.53 0.00 -0.52 1.22 4.64 0.10 -2.43 113.55 117.08 3b8r h SER 884 Ca 0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3b8r h SER 884 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 3b8r h SER 884 CO 0.07 0.39 0.08 -0.08 -0.87 0.00 0.00 176.83 176.42 3b8r h GLU 885 N 0.00 0.87 -0.60 4.77 4.81 -1.00 0.74 114.58 124.16 3b8r h GLU 885 Ca -0.00 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.90 3b8r h GLU 885 Cb 1.14 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3b8r h GLU 885 CO 0.05 0.85 0.00 1.25 -0.73 0.00 0.00 179.01 180.43 3b8r h LEU 886 N 0.75 1.04 -0.62 1.64 5.85 -1.21 -2.52 115.31 120.24 3b8r h LEU 886 Ca 0.16 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 3b8r h LEU 886 Cb 0.41 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3b8r h LEU 886 CO 0.01 1.09 -0.67 0.11 -0.34 0.00 0.00 178.44 178.64 3b8r h LYS 887 N 0.96 0.00 0.43 1.25 1.57 -1.20 -1.53 116.57 118.04 3b8r h LYS 887 Ca 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3b8r h LYS 887 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3b8r h LYS 887 CO 0.03 0.67 -0.21 0.82 -0.57 0.00 0.00 179.45 180.19 3b8r h ILE 888 N 0.00 0.57 -0.98 1.86 2.04 -0.69 0.69 117.51 120.99 3b8r h ILE 888 Ca -0.01 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.76 3b8r h ILE 888 Cb 1.21 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 3b8r h ILE 888 CO 0.09 0.04 0.61 -0.07 0.00 0.00 0.00 178.15 178.82 3b8r h LEU 889 N -0.71 0.89 -0.43 1.44 3.38 -1.37 0.40 115.31 118.91 3b8r h LEU 889 Ca -0.06 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3b8r h LEU 889 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3b8r h LEU 889 CO 0.10 0.48 -0.24 0.40 0.09 0.00 0.00 178.44 179.26 3b8r h ILE 890 N 0.97 1.27 -0.05 1.22 2.04 -1.06 -2.86 117.51 119.04 3b8r h ILE 890 Ca 0.48 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3b8r h ILE 890 Cb 0.47 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3b8r h ILE 890 CO -0.26 0.47 -0.07 -0.74 0.00 0.00 0.00 178.15 177.55 3b8r h HIS 891 N 0.76 0.16 -0.77 1.37 2.76 0.07 -3.26 115.15 116.23 3b8r h HIS 891 Ca 0.09 -0.05 0.15 0.00 -2.20 0.00 0.00 60.37 58.36 3b8r h HIS 891 Cb 0.82 -0.03 -0.10 0.00 1.55 0.00 0.00 27.41 29.65 3b8r h HIS 891 CO 0.06 0.62 0.30 0.82 -1.30 0.00 0.00 177.93 178.43 3b8r h ILE 892 N -0.35 0.63 0.00 6.26 1.08 -0.27 -3.48 117.51 121.38 3b8r h ILE 892 Ca 0.01 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3b8r h ILE 892 Cb 0.60 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3b8r h ILE 892 CO 0.02 0.08 0.00 0.61 -0.69 0.00 0.00 178.15 178.16 3b8r n GLY 893 N -1.33 -2.46 3.85 5.37 0.00 -1.08 -4.97 105.19 104.56 3b8r n GLY 893 Ca 0.15 -1.94 -0.38 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 -0.32 3.68 -0.24 1.61 2.46 -1.26 -4.94 115.29 116.28 3b8r s HIS 894 Ca 0.00 0.84 -0.15 0.00 0.47 0.00 0.00 55.06 56.22 3b8r s HIS 894 Cb 0.00 -2.18 0.07 0.00 -0.13 0.00 0.00 32.58 30.34 3b8r s HIS 894 CO 0.00 0.66 0.59 -1.58 -2.47 0.00 0.00 174.74 171.94 3b8r s HIS 895 N -1.01 -0.86 0.52 3.88 5.04 -1.26 -5.05 115.29 116.55 3b8r s HIS 895 Ca 0.21 1.79 0.30 0.00 -1.54 0.00 0.00 55.06 55.81 3b8r s HIS 895 Cb -0.15 0.45 1.44 0.00 0.04 0.00 0.00 32.58 34.36 3b8r s HIS 895 CO 0.10 -0.44 1.88 1.25 -2.34 0.00 0.00 174.74 175.20 3b8r h LEU 896 N 6.75 0.05 -3.74 8.88 5.85 -1.98 -1.85 115.31 129.27 3b8r h LEU 896 Ca -0.32 0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.13 3b8r h LEU 896 Cb 1.21 -0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.07 3b8r h LEU 896 CO 0.20 0.02 0.32 0.59 -0.34 0.00 0.00 178.44 179.23 3b8r n ASN 897 N -4.30 4.31 -3.79 1.25 5.03 -1.26 -4.77 115.26 111.73 3b8r n ASN 897 Ca 0.19 -3.36 -0.20 0.00 0.87 0.00 0.00 54.58 52.07 3b8r n ASN 897 Cb 0.94 -0.75 -0.17 0.00 -1.02 0.00 0.00 39.78 38.78 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 -3.09 0.29 -0.23 2.41 1.01 -0.70 -0.94 120.40 119.16 3b8r s VAL 898 Ca 0.54 0.11 -0.43 0.00 0.00 0.00 0.00 61.98 62.20 3b8r s VAL 898 Cb 0.44 -0.42 -0.20 0.00 0.00 0.00 0.00 36.38 36.21 3b8r s VAL 898 CO 0.11 0.21 1.30 0.55 0.00 0.00 0.00 175.10 177.28 3b8r n VAL 899 N 4.70 0.00 -3.06 2.92 3.14 0.56 -4.61 118.33 121.98 3b8r n VAL 899 Ca -0.15 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.83 3b8r n VAL 899 Cb 0.50 -0.23 -0.05 0.00 -1.06 0.00 0.00 33.84 33.00 3b8r n VAL 899 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3b8r s ASN 900 N 1.39 6.84 -0.11 6.55 0.01 -1.26 -4.98 114.94 123.38 3b8r s ASN 900 Ca 0.96 1.02 -0.30 0.00 -0.71 0.00 0.00 52.86 53.84 3b8r s ASN 900 Cb -1.36 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 37.89 3b8r s ASN 900 CO 0.68 -0.23 1.13 -0.22 -1.51 0.00 0.00 177.10 176.95 3b8r s LEU 901 N 1.50 4.23 -0.19 0.60 2.96 -1.26 -0.68 118.68 125.84 3b8r s LEU 901 Ca 0.33 1.65 0.16 0.00 -0.22 0.00 0.00 54.13 56.05 3b8r s LEU 901 Cb -0.17 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.74 3b8r s LEU 901 CO 0.13 -0.58 0.04 0.18 -1.32 0.00 0.00 176.35 174.80 3b8r n LEU 902 N 5.51 0.24 0.00 -0.68 4.77 0.18 -4.92 117.00 122.10 3b8r n LEU 902 Ca 0.11 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3b8r n LEU 902 Cb 0.47 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3b8r n LEU 902 CO 0.54 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3b8r n GLY 903 N 1.86 -1.41 3.40 -0.72 0.00 -1.08 -4.94 105.19 102.30 3b8r n GLY 903 Ca -0.32 -0.99 -0.12 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 -1.42 -1.49 -0.32 4.61 0.00 -0.13 -0.65 121.76 122.37 3b8r s ALA 904 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3b8r s ALA 904 Cb 0.00 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.06 3b8r s ALA 904 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 175.76 175.02 3b8r n THR 906 N 4.31 0.00 -1.77 0.00 -2.24 -1.26 -1.56 114.28 111.76 3b8r n THR 906 Ca -0.01 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 3b8r n THR 906 Cb 0.42 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.23 3b8r n THR 906 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3b8r s LYS 907 N -1.78 3.06 0.92 -0.78 1.02 -1.26 -4.98 119.74 115.94 3b8r s LYS 907 Ca 0.00 1.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 3b8r s LYS 907 Cb 0.00 -2.00 0.08 0.00 -0.52 0.00 0.00 37.83 35.39 3b8r s LYS 907 CO 0.00 -1.01 0.78 -2.30 -0.92 0.00 0.00 175.35 171.91 3b8r n PRO 908 N -2.64 -0.30 0.00 -1.68 -0.02 -1.26 -4.29 135.00 124.81 3b8r n PRO 908 Ca 0.08 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3b8r n PRO 908 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.92 1.99 0.64 -1.23 0.00 -1.26 -5.07 105.19 101.19 3b8r n GLY 909 Ca 0.10 0.00 -0.00 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 0.00 1.14 3.83 -0.02 0.00 -1.26 -5.16 105.19 103.73 3b8r n GLY 910 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.01 3.15 0.12 1.61 0.04 -1.26 -4.99 135.00 131.66 3b8r s PRO 911 Ca 0.04 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 3b8r s PRO 911 Cb -0.00 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3b8r s PRO 911 CO 0.01 -0.93 1.19 -1.17 0.04 0.00 0.00 177.00 176.14 3b8r s LEU 912 N -5.39 4.41 -0.02 -3.56 2.96 -1.26 -4.78 118.68 111.04 3b8r s LEU 912 Ca 0.57 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 3b8r s LEU 912 Cb -0.13 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.99 3b8r s LEU 912 CO 0.54 -0.41 0.02 -0.04 -1.32 0.00 0.00 176.35 175.14 3b8r s MET 913 N 0.47 0.01 -0.20 1.98 -1.94 -0.60 -3.18 119.30 115.83 3b8r s MET 913 Ca 0.56 0.15 -0.04 0.00 -1.71 0.00 0.00 55.69 54.65 3b8r s MET 913 Cb -0.31 -0.25 -0.01 0.00 2.01 0.00 0.00 34.83 36.28 3b8r s MET 913 CO 0.32 -0.14 -0.04 0.08 -0.01 0.00 0.00 175.02 175.23 3b8r s VAL 914 N 0.92 3.47 -0.16 -6.03 1.01 -0.73 -0.50 120.40 118.38 3b8r s VAL 914 Ca -0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3b8r s VAL 914 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3b8r s VAL 914 CO -0.02 0.44 -0.04 -0.63 0.00 0.00 0.00 175.10 174.84 3b8r s ILE 915 N 1.21 3.84 0.31 2.22 1.01 0.18 -1.75 121.20 128.21 3b8r s ILE 915 Ca 0.03 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3b8r s ILE 915 Cb -0.14 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.58 3b8r s ILE 915 CO -0.01 0.49 -0.00 0.42 0.00 0.00 0.00 174.94 175.84 3b8r s THR 916 N 0.39 1.48 0.97 2.92 -4.23 -0.56 0.51 115.64 117.12 3b8r s THR 916 Ca -0.04 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.30 3b8r s THR 916 Cb -0.14 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.19 3b8r s THR 916 CO 0.03 -0.15 0.93 -1.84 -0.54 0.00 0.00 174.62 173.06 3b8r n GLU 917 N -0.66 -0.75 -4.12 3.99 0.28 0.15 -1.55 120.64 117.98 3b8r n GLU 917 Ca -0.04 -0.16 -0.35 0.00 -0.16 0.00 0.00 57.16 56.45 3b8r n GLU 917 Cb 0.65 -2.22 -0.09 0.00 1.43 0.00 0.00 31.44 31.21 3b8r n GLU 917 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3b8r s PHE 918 N -2.54 3.27 -0.51 -1.84 5.36 -1.26 -4.14 117.98 116.32 3b8r s PHE 918 Ca 0.65 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 3b8r s PHE 918 Cb -0.23 -1.96 0.13 0.00 -0.34 0.00 0.00 43.02 40.63 3b8r s PHE 918 CO 0.61 0.33 0.29 0.00 -1.46 0.00 0.00 175.22 174.99 3b8r h LYS 920 N 7.10 0.00 0.00 0.00 2.10 -1.93 -2.56 116.57 121.28 3b8r h LYS 920 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3b8r h LYS 920 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3b8r h LYS 920 CO 0.68 0.00 -0.04 1.19 -2.00 0.00 0.00 179.45 179.28 3b8r n PHE 921 N -4.30 0.79 -2.85 0.07 3.01 -0.77 -5.04 117.46 108.36 3b8r n PHE 921 Ca 0.13 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.82 3b8r n PHE 921 Cb 0.76 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 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 1.34 -1.27 3.76 1.37 0.00 -0.97 -4.74 105.19 104.69 3b8r n GLY 922 Ca 0.06 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 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 7.20 0.42 1.61 2.20 -1.26 -0.03 114.94 121.09 3b8r s ASN 923 Ca 0.00 2.31 0.17 0.00 -0.94 0.00 0.00 52.86 54.40 3b8r s ASN 923 Cb 0.00 -2.63 1.06 0.00 -2.00 0.00 0.00 41.25 37.69 3b8r s ASN 923 CO 0.00 -0.20 1.86 0.25 -2.94 0.00 0.00 177.10 176.07 3b8r h LEU 924 N 3.86 0.42 0.74 3.54 5.85 -0.54 -2.49 115.31 126.69 3b8r h LEU 924 Ca -0.47 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 3b8r h LEU 924 Cb 1.21 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.21 3b8r h LEU 924 CO 0.67 0.18 -0.36 -1.28 -0.34 0.00 0.00 178.44 177.31 3b8r h SER 925 N 0.42 -0.84 -1.00 1.25 0.87 -1.83 -0.38 113.55 112.04 3b8r h SER 925 Ca 0.46 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 61.09 3b8r h SER 925 Cb 1.10 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 63.22 3b8r h SER 925 CO -0.17 -0.53 0.65 0.74 -0.53 0.00 0.00 176.83 176.98 3b8r h THR 926 N -1.11 1.10 -0.28 2.23 2.02 -1.85 -1.96 112.91 113.05 3b8r h THR 926 Ca -0.10 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3b8r h THR 926 Cb 0.78 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3b8r h THR 926 CO 0.17 0.22 0.15 0.22 0.37 0.00 0.00 175.52 176.64 3b8r h TYR 927 N 1.18 0.39 -0.39 3.16 3.20 -1.28 -2.36 116.97 120.87 3b8r h TYR 927 Ca 0.43 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 3b8r h TYR 927 Cb 0.15 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3b8r h TYR 927 CO -0.00 0.33 0.07 -0.07 -1.64 0.00 0.00 178.16 176.85 3b8r h LEU 928 N 0.34 0.54 -1.08 2.82 3.38 -0.58 -1.89 115.31 118.83 3b8r h LEU 928 Ca 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3b8r h LEU 928 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3b8r h LEU 928 CO -0.02 0.56 -0.13 0.03 0.09 0.00 0.00 178.44 178.98 3b8r h ARG 929 N 0.57 0.50 0.00 1.13 3.08 -1.12 -2.33 114.38 116.21 3b8r h ARG 929 Ca 0.13 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3b8r h ARG 929 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3b8r h ARG 929 CO 0.00 0.63 0.00 -1.13 -1.07 0.00 0.00 179.97 178.40 3b8r n SER 930 N -4.20 0.00 -0.05 7.04 3.41 -0.72 -3.27 113.62 115.84 3b8r n SER 930 Ca 0.01 -1.23 0.01 0.00 -0.26 0.00 0.00 58.87 57.39 3b8r n SER 930 Cb 0.33 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.85 2.94 0.27 4.33 4.76 -0.88 -4.73 118.16 124.00 3b8r n LYS 931 Ca 0.16 -1.58 0.16 0.00 -2.87 0.00 0.00 58.31 54.18 3b8r n LYS 931 Cb 0.07 -1.04 0.88 0.00 -1.84 0.00 0.00 35.03 33.11 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 0.15 0.00 -0.33 1.97 3.08 -1.58 0.16 114.38 117.83 3b8r h ARG 932 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3b8r h ARG 932 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3b8r h ARG 932 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3b8r n ASN 933 N -3.85 3.24 -2.97 7.04 5.03 -1.26 -4.37 115.26 118.12 3b8r n ASN 933 Ca -0.02 -1.97 -0.24 0.00 0.87 0.00 0.00 54.58 53.23 3b8r n ASN 933 Cb 0.16 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 38.68 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 1.36 2.52 -4.02 3.52 1.02 0.55 -5.06 120.64 120.53 3b8r n GLU 934 Ca 0.19 -4.35 -0.14 0.00 -0.02 0.00 0.00 57.16 52.83 3b8r n GLU 934 Cb 0.58 -2.05 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.17 0.26 -0.09 -0.32 2.19 -1.22 -0.47 117.98 115.17 3b8r s PHE 935 Ca 0.46 -0.05 -0.10 0.00 0.33 0.00 0.00 56.93 57.57 3b8r s PHE 935 Cb 0.32 -0.18 0.03 0.00 -1.31 0.00 0.00 43.02 41.87 3b8r s PHE 935 CO -0.12 -0.01 0.28 0.14 1.83 0.00 0.00 175.22 177.34 3b8r s VAL 936 N -0.01 0.01 0.48 3.12 -7.23 -0.74 -4.97 120.40 111.06 3b8r s VAL 936 Ca 0.01 -0.11 0.14 0.00 -1.81 0.00 0.00 61.98 60.20 3b8r s VAL 936 Cb -0.02 -0.43 0.25 0.00 0.56 0.00 0.00 36.38 36.74 3b8r s VAL 936 CO -0.00 -0.06 2.09 1.55 -0.31 0.00 0.00 175.10 178.37 3b8r h PRO 937 N 5.35 0.10 -2.59 4.82 0.13 -1.94 -3.32 132.00 134.55 3b8r h PRO 937 Ca -0.27 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.95 3b8r h PRO 937 Cb 1.19 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 3b8r h PRO 937 CO 0.34 0.12 0.38 1.52 -0.23 0.00 0.00 178.00 180.13 3b8r s TYR 938 N -5.03 -0.28 0.09 1.56 -0.85 -1.26 -1.74 117.35 109.84 3b8r s TYR 938 Ca -0.05 0.01 0.06 0.00 -0.52 0.00 0.00 57.07 56.57 3b8r s TYR 938 Cb 0.17 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 43.08 3b8r s TYR 938 CO 0.69 -0.84 -0.07 0.15 -1.52 0.00 0.00 175.55 173.96 3b8r s LYS 939 N -3.46 2.29 0.03 -3.49 1.02 -1.26 -5.06 119.74 109.81 3b8r s LYS 939 Ca 0.08 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.13 3b8r s LYS 939 Cb -0.02 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3b8r s LYS 939 CO -0.03 0.52 -0.04 0.14 -0.92 0.00 0.00 175.35 175.02 3b8r s VAL 990 N -1.23 0.27 0.38 3.17 -7.23 -1.26 -4.50 120.40 110.00 3b8r s VAL 990 Ca 0.23 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 58.97 3b8r s VAL 990 Cb -0.11 -0.62 -0.10 0.00 0.56 0.00 0.00 36.38 36.11 3b8r s VAL 990 CO 0.15 -0.57 1.39 0.00 -0.31 0.00 0.00 175.10 175.76 3b8r s ALA 991 N -1.94 3.45 -0.44 1.32 0.00 -1.26 -3.19 121.76 119.69 3b8r s ALA 991 Ca -0.09 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 3b8r s ALA 991 Cb -0.06 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.53 3b8r s ALA 991 CO -0.02 -0.92 1.15 -1.25 0.00 0.00 0.00 175.76 174.72 3b8r s PRO 992 N -2.09 3.78 0.63 0.00 0.04 -1.26 -5.06 135.00 131.03 3b8r s PRO 992 Ca 0.54 0.69 0.36 0.00 0.04 0.00 0.00 61.00 62.63 3b8r s PRO 992 Cb -0.43 -3.88 2.09 0.00 0.04 0.00 0.00 34.50 32.32 3b8r s PRO 992 CO 0.57 -1.30 2.30 0.93 0.04 0.00 0.00 177.00 179.53 3b8r h GLU 993 N 9.12 0.00 0.00 4.56 5.08 -1.97 -2.71 114.58 128.66 3b8r h GLU 993 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3b8r h GLU 993 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3b8r h GLU 993 CO 1.11 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.72 3b8r n ASP 994 N -3.49 0.16 0.00 1.42 3.85 -1.26 -0.08 116.55 117.15 3b8r n ASP 994 Ca -0.03 0.56 0.09 0.00 -0.71 0.00 0.00 54.79 54.71 3b8r n ASP 994 Cb 0.09 -0.59 0.47 0.00 -1.35 0.00 0.00 41.12 39.75 3b8r n ASP 994 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3b8r n LEU 995 N -1.70 0.00 -0.51 -2.12 7.94 -1.02 -3.09 117.00 116.50 3b8r n LEU 995 Ca 0.01 0.32 0.05 0.00 -1.11 0.00 0.00 56.01 55.28 3b8r n LEU 995 Cb 0.08 -0.32 0.08 0.00 0.53 0.00 0.00 43.42 43.79 3b8r n LEU 995 CO 0.08 -0.12 0.35 -1.22 -1.11 0.00 0.00 177.39 175.37 3b8r n TYR 996 N -1.32 0.00 -1.50 1.96 4.01 0.89 -5.06 117.16 116.13 3b8r n TYR 996 Ca 0.08 -0.64 -0.58 0.00 -0.16 0.00 0.00 57.90 56.60 3b8r n TYR 996 Cb 0.17 -0.13 -0.08 0.00 -0.31 0.00 0.00 39.34 38.99 3b8r n TYR 996 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3b8r n LYS 997 N -0.60 0.08 -3.96 -0.72 5.02 -1.18 -1.04 118.16 115.77 3b8r n LYS 997 Ca 0.09 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.14 3b8r n LYS 997 Cb 0.74 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.22 3b8r n LYS 997 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3b8r n ASP 998 N 1.59 -1.67 -4.90 4.39 8.00 -1.26 -4.96 116.55 117.73 3b8r n ASP 998 Ca 0.20 -0.95 -0.32 0.00 0.71 0.00 0.00 54.79 54.43 3b8r n ASP 998 Cb 0.09 -3.27 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 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 -3.69 3.51 0.27 1.24 0.40 -0.20 -5.01 117.98 114.49 3b8r s PHE 999 Ca 0.24 0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 56.67 3b8r s PHE 999 Cb -0.13 -1.78 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 3b8r s PHE 999 CO 0.88 0.61 0.77 -0.51 0.70 0.00 0.00 175.22 177.66 3b8r s LEU 1000N -2.22 4.25 0.22 -0.37 1.43 0.39 -4.96 118.68 117.41 3b8r s LEU 1000Ca 0.31 1.45 -0.02 0.00 -1.03 0.00 0.00 54.13 54.83 3b8r s LEU 1000Cb -0.13 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 3b8r s LEU 1000CO 0.23 -0.06 0.19 0.42 0.23 0.00 0.00 176.35 177.36 3b8r s THR 1001N -1.69 0.00 0.41 5.49 -4.23 -1.25 -1.79 115.64 112.58 3b8r s THR 1001Ca 0.48 -1.91 0.12 0.00 -1.18 0.00 0.00 61.69 59.20 3b8r s THR 1001Cb -0.15 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 71.56 3b8r s THR 1001CO 0.20 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.16 3b8r h LEU 1002N 2.53 0.45 -0.58 4.79 3.38 -1.44 -0.12 115.31 124.32 3b8r h LEU 1002Ca -0.34 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3b8r h LEU 1002Cb 1.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3b8r h LEU 1002CO 0.49 0.26 0.32 -0.08 0.09 0.00 0.00 178.44 179.52 3b8r h GLU 1003N 0.50 0.82 -0.12 1.13 4.81 -1.93 -0.70 114.58 119.09 3b8r h GLU 1003Ca 0.32 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3b8r h GLU 1003Cb 0.58 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3b8r h GLU 1003CO -0.10 0.63 0.02 0.45 -0.73 0.00 0.00 179.01 179.28 3b8r h HIS 1004N 0.79 0.03 -0.45 0.92 3.86 -1.42 0.12 115.15 118.99 3b8r h HIS 1004Ca 0.21 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 3b8r h HIS 1004Cb 0.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 3b8r h HIS 1004CO -0.01 0.01 0.28 -0.07 0.86 0.00 0.00 177.93 179.00 3b8r h LEU 1005N 0.07 0.48 -0.79 2.43 3.38 -1.01 0.11 115.31 119.97 3b8r h LEU 1005Ca 0.06 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3b8r h LEU 1005Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3b8r h LEU 1005CO -0.08 0.34 -0.22 0.40 0.09 0.00 0.00 178.44 178.98 3b8r h ILE 1006N 0.58 1.27 -0.56 1.22 2.04 -0.99 -2.42 117.51 118.65 3b8r h ILE 1006Ca 0.17 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 3b8r h ILE 1006Cb -0.03 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3b8r h ILE 1006CO -0.06 0.43 0.10 0.00 0.00 0.00 0.00 178.15 178.61 3b8r h TYR 1008N 0.81 0.81 -0.44 0.00 0.05 -0.85 -1.05 116.97 116.30 3b8r h TYR 1008Ca 0.17 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 3b8r h TYR 1008Cb 0.40 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3b8r h TYR 1008CO 0.03 0.67 0.27 0.77 -1.05 0.00 0.00 178.16 178.85 3b8r h SER 1009N 0.71 0.53 0.14 3.88 0.02 -1.15 -1.92 113.55 115.75 3b8r h SER 1009Ca 0.17 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3b8r h SER 1009Cb 0.21 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3b8r h SER 1009CO -0.01 0.42 -0.15 0.15 -1.14 0.00 0.00 176.83 176.10 3b8r h PHE 1010N 0.59 -0.39 -0.74 3.45 3.57 -0.54 -1.62 116.94 121.26 3b8r h PHE 1010Ca 0.16 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3b8r h PHE 1010Cb -0.01 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3b8r h PHE 1010CO -0.03 -0.23 0.41 1.96 -2.23 0.00 0.00 178.31 178.19 3b8r h GLN 1011N -0.32 0.70 -0.15 1.11 4.20 -0.97 -0.80 115.11 118.88 3b8r h GLN 1011Ca 0.01 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 3b8r h GLN 1011Cb 0.31 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3b8r h GLN 1011CO -0.05 0.46 -0.27 0.28 -0.67 0.00 0.00 178.83 178.58 3b8r h VAL 1012N 0.72 1.25 -0.30 -0.54 2.07 -1.20 -0.82 116.25 117.43 3b8r h VAL 1012Ca 0.35 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3b8r h VAL 1012Cb 0.28 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3b8r h VAL 1012CO -0.22 0.36 0.02 0.00 0.02 0.00 0.00 177.57 177.75 3b8r h ALA 1013N 1.48 0.40 -0.82 1.67 0.00 -0.20 -0.38 119.26 121.40 3b8r h ALA 1013Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3b8r h ALA 1013Cb 0.62 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3b8r h ALA 1013CO 0.04 0.13 0.43 0.87 0.00 0.00 0.00 179.25 180.72 3b8r h LYS 1014N 0.31 1.15 -0.74 0.00 1.57 -0.71 0.20 116.57 118.37 3b8r h LYS 1014Ca 0.09 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3b8r h LYS 1014Cb 0.40 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3b8r h LYS 1014CO 0.01 0.86 0.36 0.78 -0.57 0.00 0.00 179.45 180.89 3b8r h GLY 1015N 1.14 1.14 1.15 3.86 0.00 -0.95 -0.50 103.07 108.92 3b8r h GLY 1015Ca 0.28 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 3b8r h GLY 1015CO -0.04 0.54 -0.24 -0.33 0.00 0.00 0.00 176.54 176.46 3b8r h MET 1016N 1.04 0.96 -0.65 4.80 2.86 -0.39 -0.38 114.93 123.17 3b8r h MET 1016Ca 0.25 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3b8r h MET 1016Cb 0.12 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3b8r h MET 1016CO -0.03 1.09 0.40 1.49 1.06 0.00 0.00 176.91 180.91 3b8r h GLU 1017N 0.82 0.88 -0.00 1.72 4.81 -0.24 0.43 114.58 123.00 3b8r h GLU 1017Ca 0.10 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3b8r h GLU 1017Cb 0.82 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3b8r h GLU 1017CO 0.07 0.62 0.00 0.35 -0.73 0.00 0.00 179.01 179.32 3b8r h PHE 1018N 0.90 0.01 -0.30 0.92 3.57 -0.65 -1.14 116.94 120.25 3b8r h PHE 1018Ca 0.24 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 3b8r h PHE 1018Cb -0.04 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3b8r h PHE 1018CO 0.00 0.29 0.05 -0.07 -2.23 0.00 0.00 178.31 176.35 3b8r h LEU 1019N -0.27 0.47 -0.85 0.59 3.38 -0.61 -3.06 115.31 114.96 3b8r h LEU 1019Ca 0.00 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3b8r h LEU 1019Cb 0.28 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3b8r h LEU 1019CO 0.00 0.61 0.56 0.00 0.09 0.00 0.00 178.44 179.70 3b8r h ALA 1020N 0.88 1.10 0.00 1.53 0.00 -0.16 -0.79 119.26 121.82 3b8r h ALA 1020Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3b8r h ALA 1020Cb 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3b8r h ALA 1020CO 0.01 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 3b8r n SER 1021N -4.51 0.00 -0.49 0.00 3.41 -0.43 -1.07 113.62 110.53 3b8r n SER 1021Ca 0.10 0.22 0.08 0.00 -0.26 0.00 0.00 58.87 59.00 3b8r n SER 1021Cb 0.04 -0.30 0.19 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.30 1.90 -2.13 4.33 1.74 -0.39 -4.95 116.66 115.87 3b8r n ARG 1022Ca 0.03 -2.79 -0.21 0.00 -0.77 0.00 0.00 57.85 54.12 3b8r n ARG 1022Cb 0.05 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 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 -1.08 -1.57 -3.72 5.56 5.02 -0.23 -4.97 118.16 117.17 3b8r n LYS 1023Ca 0.20 1.07 -0.36 0.00 -2.02 0.00 0.00 58.31 57.20 3b8r n LYS 1023Cb 0.76 -5.63 -0.10 0.00 -0.02 0.00 0.00 35.03 30.05 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 0.95 4.10 0.09 0.00 1.01 -1.26 -3.81 121.20 122.27 3b8r s ILE 1025Ca 0.07 -0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 3b8r s ILE 1025Cb -0.13 -2.90 -0.15 0.00 0.01 0.00 0.00 42.46 39.29 3b8r s ILE 1025CO 0.03 0.37 1.69 -0.74 0.00 0.00 0.00 174.94 176.29 3b8r h HIS 1026N 8.08 -0.39 0.00 3.97 -0.00 -1.93 -2.98 115.15 121.90 3b8r h HIS 1026Ca -0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3b8r h HIS 1026Cb 1.17 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3b8r h HIS 1026CO 0.64 -0.24 0.00 0.54 -0.00 0.00 0.00 177.93 178.87 3b8r n ARG 1027N -5.27 0.00 -2.68 5.26 1.74 -1.26 -1.56 116.66 112.89 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 0.19 -1.59 0.12 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.73 -4.62 0.55 2.03 -1.26 -5.05 116.55 106.47 3b8r n ASP 1028Ca 0.00 -2.35 -0.43 0.00 0.52 0.00 0.00 54.79 52.53 3b8r n ASP 1028Cb 0.00 0.90 -0.02 0.00 -0.72 0.00 0.00 41.12 41.27 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 -3.45 3.75 0.20 -2.67 2.96 -1.26 -4.80 118.68 113.41 3b8r s LEU 1029Ca 0.17 1.39 -0.20 0.00 -0.22 0.00 0.00 54.13 55.27 3b8r s LEU 1029Cb 0.40 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.60 3b8r s LEU 1029CO -0.10 -1.38 0.60 0.00 -1.32 0.00 0.00 176.35 174.15 3b8r s ALA 1030N 5.58 -1.25 0.35 5.97 0.00 -1.26 -4.61 121.76 126.55 3b8r s ALA 1030Ca 0.71 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.78 3b8r s ALA 1030Cb -0.22 0.86 0.82 0.00 0.00 0.00 0.00 23.12 24.58 3b8r s ALA 1030CO 0.30 -0.85 1.86 0.00 0.00 0.00 0.00 175.76 177.08 3b8r h ALA 1031N 2.08 1.83 0.00 0.00 0.00 -1.92 -0.14 119.26 121.11 3b8r h ALA 1031Ca -0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3b8r h ALA 1031Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3b8r h ALA 1031CO 0.34 -0.09 0.00 0.07 0.00 0.00 0.00 179.25 179.58 3b8r h ARG 1032N 0.69 0.00 -0.67 0.00 0.11 -1.95 -1.07 114.38 111.49 3b8r h ARG 1032Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 3b8r h ARG 1032Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 3b8r h ARG 1032CO -0.22 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.94 3b8r n ASN 1033N -2.63 4.19 -4.40 0.08 3.02 -0.07 -4.78 115.26 110.68 3b8r n ASN 1033Ca -0.01 -2.18 -0.34 0.00 -0.03 0.00 0.00 54.58 52.03 3b8r n ASN 1033Cb 0.14 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.34 3.39 0.09 2.41 -1.09 -0.41 -2.16 121.20 122.08 3b8r s ILE 1034Ca 0.48 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 58.42 3b8r s ILE 1034Cb 0.28 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 3b8r s ILE 1034CO 0.29 0.49 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.73 3b8r s LEU 1035N 0.60 3.47 -0.17 2.97 1.43 -0.23 -0.17 118.68 126.58 3b8r s LEU 1035Ca -0.05 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3b8r s LEU 1035Cb -0.15 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 3b8r s LEU 1035CO 0.03 0.18 -0.11 -0.22 0.23 0.00 0.00 176.35 176.45 3b8r s LEU 1036N -2.30 2.65 0.00 1.79 2.96 0.96 -0.82 118.68 123.92 3b8r s LEU 1036Ca 0.26 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3b8r s LEU 1036Cb -0.12 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.95 3b8r s LEU 1036CO 0.18 0.06 0.05 -1.20 -1.32 0.00 0.00 176.35 174.12 3b8r n SER 1037N 4.23 0.60 -4.75 3.68 7.64 -0.37 -1.85 113.62 122.79 3b8r n SER 1037Ca -0.19 -1.13 -0.34 0.00 1.01 0.00 0.00 58.87 58.22 3b8r n SER 1037Cb 0.51 -0.02 0.07 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.19 2.48 -1.43 1.43 0.41 -1.26 -3.74 118.70 114.40 3b8r s GLU 1038Ca 0.04 1.58 -0.08 0.00 -0.41 0.00 0.00 54.97 56.10 3b8r s GLU 1038Cb -0.00 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.47 3b8r s GLU 1038CO 0.02 -1.53 0.99 1.63 -0.49 0.00 0.00 175.26 175.88 3b8r n LYS 1039N -2.53 -6.78 -3.62 1.61 5.02 -1.26 -3.15 118.16 107.45 3b8r n LYS 1039Ca 0.12 0.82 -0.27 0.00 -2.02 0.00 0.00 58.31 56.96 3b8r n LYS 1039Cb 0.51 -5.80 -0.00 0.00 -0.02 0.00 0.00 35.03 29.72 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 -2.85 -3.94 -4.60 4.39 4.13 -1.25 -4.96 115.26 106.18 3b8r n ASN 1040Ca -0.02 -0.58 -0.38 0.00 1.68 0.00 0.00 54.58 55.28 3b8r n ASN 1040Cb 0.57 -3.23 -0.10 0.00 -1.54 0.00 0.00 39.78 35.48 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 -3.07 5.26 0.12 2.41 1.01 -1.19 -4.91 120.40 120.03 3b8r s VAL 1041Ca 0.52 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.85 3b8r s VAL 1041Cb -0.27 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3b8r s VAL 1041CO 0.63 0.22 0.28 0.68 0.00 0.00 0.00 175.10 176.91 3b8r s VAL 1042N 1.82 5.33 -0.01 2.92 -7.23 -1.26 -1.24 120.40 120.73 3b8r s VAL 1042Ca 0.11 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 3b8r s VAL 1042Cb -0.16 -3.70 -0.00 0.00 0.56 0.00 0.00 36.38 33.08 3b8r s VAL 1042CO 0.10 -0.02 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.29 3b8r s LYS 1043N -2.98 0.37 0.11 4.82 1.02 -0.00 -4.42 119.74 118.66 3b8r s LYS 1043Ca 0.35 -0.15 -0.23 0.00 0.02 0.00 0.00 55.97 55.96 3b8r s LYS 1043Cb -0.12 -0.37 -0.07 0.00 -0.52 0.00 0.00 37.83 36.75 3b8r s LYS 1043CO 0.28 0.08 0.69 0.42 -0.92 0.00 0.00 175.35 175.91 3b8r s ILE 1044N -0.04 4.56 0.22 2.17 1.01 -0.11 -1.06 121.20 127.94 3b8r s ILE 1044Ca 0.01 1.50 -0.08 0.00 0.00 0.00 0.00 60.65 62.08 3b8r s ILE 1044Cb -0.02 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3b8r s ILE 1044CO -0.00 0.51 0.33 0.00 0.00 0.00 0.00 174.94 175.78 3b8r n ASP 1046N -0.31 -4.48 -4.94 0.00 8.00 -1.26 -4.84 116.55 108.71 3b8r n ASP 1046Ca -0.01 -0.65 -0.25 0.00 0.71 0.00 0.00 54.79 54.59 3b8r n ASP 1046Cb 0.63 -4.66 -0.03 0.00 -0.02 0.00 0.00 41.12 37.05 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 -3.37 3.48 -1.47 1.24 -0.12 -1.26 -4.48 117.98 112.00 3b8r s PHE 1047Ca 0.41 0.24 -0.07 0.00 -0.05 0.00 0.00 56.93 57.46 3b8r s PHE 1047Cb -0.19 -1.78 0.02 0.00 -0.63 0.00 0.00 43.02 40.44 3b8r s PHE 1047CO 0.76 0.36 0.86 0.41 -0.05 0.00 0.00 175.22 177.57 3b8r n GLY 1048N -1.02 -0.53 0.00 1.99 0.00 -0.60 -4.98 105.19 100.05 3b8r n GLY 1048Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.46 0.00 -4.69 0.99 4.77 -1.26 -5.04 117.00 107.31 3b8r n LEU 1049Ca -0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 3b8r n LEU 1049Cb 0.59 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.83 3b8r n LEU 1049CO 0.56 0.00 0.66 -0.76 -1.33 0.00 0.00 177.39 176.53 3b8r s LEU 1067N -1.53 2.52 0.00 2.23 1.43 -1.26 -5.18 118.68 116.90 3b8r s LEU 1067Ca 0.00 1.84 0.19 0.00 -1.03 0.00 0.00 54.13 55.13 3b8r s LEU 1067Cb 0.00 -4.27 0.82 0.00 0.03 0.00 0.00 46.19 42.77 3b8r s LEU 1067CO 0.00 -2.82 1.61 -2.65 0.23 0.00 0.00 176.35 172.71 3b8r n PRO 1068N -4.03 0.02 -0.02 1.29 -0.02 -1.26 -3.16 135.00 127.82 3b8r n PRO 1068Ca 0.09 0.17 0.17 0.00 -2.02 0.00 0.00 63.50 61.91 3b8r n PRO 1068Cb 0.53 -1.50 0.63 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 0.12 -2.42 2.45 3.38 -2.03 0.06 115.31 116.87 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 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3b8r h LEU 1069CO 0.00 0.07 0.00 0.11 0.09 0.00 0.00 178.44 178.71 3b8r h LYS 1070N 0.13 0.00 -0.01 1.13 1.57 -1.97 -2.11 116.57 115.32 3b8r h LYS 1070Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3b8r h LYS 1070Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3b8r h LYS 1070CO -0.03 0.00 -0.41 0.91 -0.57 0.00 0.00 179.45 179.34 3b8r n TRP 1071N -2.89 0.00 -2.83 -1.35 8.01 -0.01 -4.96 117.44 113.41 3b8r n TRP 1071Ca -0.02 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.76 3b8r n TRP 1071Cb 0.10 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.35 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 -1.89 4.62 0.60 -0.99 -1.94 -0.79 -3.91 119.30 115.01 3b8r s MET 1072Ca 0.08 1.30 -0.17 0.00 -1.71 0.00 0.00 55.69 55.19 3b8r s MET 1072Cb 0.10 -3.36 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 3b8r s MET 1072CO 0.41 0.27 1.14 0.00 -0.01 0.00 0.00 175.02 176.83 3b8r s ALA 1073N -0.12 2.55 0.24 3.03 0.00 -1.26 -4.80 121.76 121.40 3b8r s ALA 1073Ca 0.43 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 3b8r s ALA 1073Cb -0.22 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 19.98 3b8r s ALA 1073CO 0.27 -1.09 1.67 -1.35 0.00 0.00 0.00 175.76 175.26 3b8r h PRO 1074N 0.64 0.20 -0.29 0.00 0.11 -1.94 0.55 132.00 131.27 3b8r h PRO 1074Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3b8r h PRO 1074Cb 1.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3b8r h PRO 1074CO 0.55 0.13 -0.01 1.05 -0.21 0.00 0.00 178.00 179.51 3b8r h GLU 1075N 0.21 0.44 -0.46 1.05 9.09 -1.92 -0.19 114.58 122.79 3b8r h GLU 1075Ca 0.41 -0.09 -0.13 0.00 0.05 0.00 0.00 59.36 59.61 3b8r h GLU 1075Cb 0.72 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.74 3b8r h GLU 1075CO -0.56 0.48 -0.20 1.15 0.05 0.00 0.00 179.01 179.92 3b8r h THR 1076N 0.42 1.27 0.50 -1.06 2.02 -0.97 0.46 112.91 115.55 3b8r h THR 1076Ca 0.09 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 3b8r h THR 1076Cb 0.30 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3b8r h THR 1076CO 0.01 0.47 -0.24 0.40 0.37 0.00 0.00 175.52 176.53 3b8r h ILE 1077N 0.81 0.21 -0.00 3.11 2.04 -0.94 -0.41 117.51 122.32 3b8r h ILE 1077Ca 0.11 -0.51 -0.17 0.00 1.00 0.00 0.00 64.86 65.28 3b8r h ILE 1077Cb 0.78 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3b8r h ILE 1077CO 0.06 0.04 -0.80 -0.26 0.00 0.00 0.00 178.15 177.19 3b8r h PHE 1078N -1.09 0.11 0.00 1.37 0.04 -1.10 -3.36 116.94 112.91 3b8r h PHE 1078Ca -0.07 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3b8r h PHE 1078Cb 0.58 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.71 3b8r h PHE 1078CO 0.01 0.84 -0.47 -0.25 -0.60 0.00 0.00 178.31 177.84 3b8r n ASP 1079N -3.64 0.65 -1.63 2.17 8.00 0.16 -5.00 116.55 117.26 3b8r n ASP 1079Ca -0.02 -0.61 -0.14 0.00 0.71 0.00 0.00 54.79 54.73 3b8r n ASP 1079Cb 0.76 1.04 -0.00 0.00 -0.02 0.00 0.00 41.12 42.90 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 -1.24 -1.41 -3.58 -1.24 1.74 -0.16 -4.95 116.66 105.81 3b8r n ARG 1080Ca 0.01 0.65 -0.37 0.00 -0.77 0.00 0.00 57.85 57.38 3b8r n ARG 1080Cb 0.13 -4.90 -0.08 0.00 -1.02 0.00 0.00 32.46 26.59 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 -2.72 5.32 -0.24 1.55 1.01 -1.19 -4.95 120.40 119.18 3b8r s VAL 1081Ca 0.03 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 3b8r s VAL 1081Cb -0.01 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3b8r s VAL 1081CO 0.04 0.35 -0.10 -0.31 0.00 0.00 0.00 175.10 175.08 3b8r s TYR 1082N 0.82 3.04 0.37 5.22 1.51 -1.26 -3.54 117.35 123.51 3b8r s TYR 1082Ca 0.12 -1.68 0.04 0.00 -1.01 0.00 0.00 57.07 54.54 3b8r s TYR 1082Cb -0.13 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3b8r s TYR 1082CO 0.04 -0.77 0.14 0.95 -1.11 0.00 0.00 175.55 174.80 3b8r s THR 1083N 1.28 0.57 0.32 -0.71 -4.23 -1.26 -4.99 115.64 106.62 3b8r s THR 1083Ca -0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3b8r s THR 1083Cb -0.16 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.34 3b8r s THR 1083CO -0.06 0.00 1.80 0.40 -0.54 0.00 0.00 174.62 176.22 3b8r h ILE 1084N 1.93 1.24 -0.01 2.99 2.04 -1.99 -2.14 117.51 121.57 3b8r h ILE 1084Ca -0.35 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.34 3b8r h ILE 1084Cb 1.26 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3b8r h ILE 1084CO 0.56 0.34 -0.40 1.56 0.00 0.00 0.00 178.15 180.21 3b8r h GLN 1085N 0.36 0.02 0.00 2.37 7.50 -1.95 -1.97 115.11 121.44 3b8r h GLN 1085Ca 0.06 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.14 3b8r h GLN 1085Cb 0.54 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 3b8r h GLN 1085CO 0.04 0.42 -0.28 0.66 -1.50 0.00 0.00 178.83 178.16 3b8r h SER 1086N 0.02 0.00 0.88 1.46 4.64 -1.76 -2.10 113.55 116.69 3b8r h SER 1086Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3b8r h SER 1086Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3b8r h SER 1086CO 0.05 0.28 -0.53 0.44 -0.87 0.00 0.00 176.83 176.20 3b8r h ASP 1087N 0.00 0.00 -0.37 4.97 3.32 -1.09 -2.80 116.42 120.45 3b8r h ASP 1087Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3b8r h ASP 1087Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3b8r h ASP 1087CO 0.04 0.53 -0.08 0.58 -1.72 0.00 0.00 179.24 178.59 3b8r h VAL 1088N 0.00 1.28 -0.52 -1.35 2.07 -0.85 0.14 116.25 117.01 3b8r h VAL 1088Ca -0.01 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.45 3b8r h VAL 1088Cb 1.12 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 3b8r h VAL 1088CO 0.07 0.38 0.14 -0.25 0.02 0.00 0.00 177.57 177.93 3b8r h TRP 1089N 0.50 0.23 -0.87 1.57 2.91 -1.35 -0.38 115.95 118.56 3b8r h TRP 1089Ca 0.09 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3b8r h TRP 1089Cb 0.59 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.17 3b8r h TRP 1089CO 0.05 0.03 0.50 0.77 -1.03 0.00 0.00 178.44 178.76 3b8r h SER 1090N 0.29 1.06 -0.42 2.65 0.02 -1.23 -0.24 113.55 115.68 3b8r h SER 1090Ca 0.26 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3b8r h SER 1090Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3b8r h SER 1090CO -0.31 0.83 0.28 0.15 -1.14 0.00 0.00 176.83 176.65 3b8r h PHE 1091N 1.21 0.40 -0.35 3.45 3.57 0.63 0.24 116.94 126.09 3b8r h PHE 1091Ca 0.31 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3b8r h PHE 1091Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3b8r h PHE 1091CO 0.01 0.23 0.12 0.78 -2.23 0.00 0.00 178.31 177.22 3b8r h GLY 1092N 0.41 0.58 1.74 2.40 0.00 0.15 0.17 103.07 108.52 3b8r h GLY 1092Ca 0.18 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3b8r h GLY 1092CO -0.04 0.31 -0.25 -2.08 0.00 0.00 0.00 176.54 174.48 3b8r h VAL 1093N 0.42 1.24 -0.55 4.60 2.07 -0.85 -2.40 116.25 120.78 3b8r h VAL 1093Ca 0.11 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 3b8r h VAL 1093Cb 0.22 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3b8r h VAL 1093CO -0.01 0.35 -0.08 0.25 0.02 0.00 0.00 177.57 178.10 3b8r h LEU 1094N 0.27 1.02 -0.39 2.57 5.85 -0.64 -1.17 115.31 122.83 3b8r h LEU 1094Ca 0.04 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.44 3b8r h LEU 1094Cb 0.59 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3b8r h LEU 1094CO 0.04 1.12 0.22 -0.07 -0.34 0.00 0.00 178.44 179.41 3b8r h LEU 1095N 0.90 0.34 -0.71 2.25 3.38 -0.55 -0.59 115.31 120.32 3b8r h LEU 1095Ca 0.14 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3b8r h LEU 1095Cb 0.65 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3b8r h LEU 1095CO 0.04 0.25 0.46 -0.25 0.09 0.00 0.00 178.44 179.03 3b8r h TRP 1096N 0.44 0.86 -0.25 1.13 7.01 -1.17 0.07 115.95 124.04 3b8r h TRP 1096Ca 0.16 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.19 3b8r h TRP 1096Cb 0.03 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3b8r h TRP 1096CO -0.08 0.52 0.14 0.93 -2.79 0.00 0.00 178.44 177.16 3b8r h GLU 1097N 0.92 0.29 -0.16 2.65 5.08 -0.57 -1.50 114.58 121.28 3b8r h GLU 1097Ca 0.28 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3b8r h GLU 1097Cb -0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3b8r h GLU 1097CO -0.09 0.19 0.07 0.82 -1.00 0.00 0.00 179.01 179.00 3b8r h ILE 1098N 0.30 0.98 -0.14 3.13 2.04 -0.43 -1.80 117.51 121.59 3b8r h ILE 1098Ca 0.10 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3b8r h ILE 1098Cb -0.00 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3b8r h ILE 1098CO -0.05 0.03 0.00 0.49 0.00 0.00 0.00 178.15 178.62 3b8r n PHE 1099N -5.03 0.32 0.07 1.37 3.72 -0.05 -2.05 117.46 115.81 3b8r n PHE 1099Ca -0.04 -0.13 0.01 0.00 -0.05 0.00 0.00 57.45 57.24 3b8r n PHE 1099Cb 0.05 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.05 1.26 -3.54 4.37 3.41 -0.59 -1.06 113.62 117.52 3b8r n SER 1100Ca 0.06 -1.17 -0.21 0.00 -0.26 0.00 0.00 58.87 57.29 3b8r n SER 1100Cb 0.28 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.07 -3.84 0.00 1.04 4.77 -0.87 -3.55 117.00 114.62 3b8r n LEU 1101Ca 0.01 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3b8r n LEU 1101Cb 0.07 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.33 3b8r n LEU 1101CO 0.01 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3b8r n GLY 1102N -1.43 0.77 3.78 -0.72 0.00 -0.72 -3.13 105.19 103.74 3b8r n GLY 1102Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.12 2.43 -0.01 4.61 0.00 -1.23 -4.81 121.76 120.63 3b8r s ALA 1103Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 3b8r s ALA 1103Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3b8r s ALA 1103CO 0.00 -1.44 0.69 0.45 0.00 0.00 0.00 175.76 175.46 3b8r s SER 1104N -3.12 7.06 0.57 0.00 0.15 -1.26 -4.76 113.70 112.33 3b8r s SER 1104Ca 0.63 1.27 -0.19 0.00 0.70 0.00 0.00 55.95 58.35 3b8r s SER 1104Cb -0.18 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 3b8r s SER 1104CO 0.49 -0.01 1.17 -2.16 1.20 0.00 0.00 173.24 173.94 3b8r s PRO 1105N 0.22 3.17 -1.13 5.44 0.04 -1.26 -3.86 135.00 137.61 3b8r s PRO 1105Ca 0.36 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 3b8r s PRO 1105Cb -0.19 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3b8r s PRO 1105CO 0.19 -1.02 0.87 0.66 0.04 0.00 0.00 177.00 177.74 3b8r n TYR 1106N -1.42 -2.21 -1.72 0.56 4.01 -1.26 -4.89 117.16 110.22 3b8r n TYR 1106Ca 0.13 0.77 -0.42 0.00 -0.16 0.00 0.00 57.90 58.21 3b8r n TYR 1106Cb 0.50 -4.14 -0.01 0.00 -0.31 0.00 0.00 39.34 35.37 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 -3.74 2.44 0.00 -0.72 -0.04 -1.25 -2.46 135.00 129.23 3b8r n PRO 1107Ca -0.14 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3b8r n PRO 1107Cb 0.63 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 1.67 2.21 3.76 0.55 0.00 -1.26 -4.98 105.19 107.14 3b8r n GLY 1108Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 4.34 0.14 1.61 1.01 -1.03 -5.05 120.40 119.53 3b8r s VAL 1109Ca 0.00 1.82 -0.20 0.00 0.00 0.00 0.00 61.98 63.60 3b8r s VAL 1109Cb 0.00 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 3b8r s VAL 1109CO 0.00 0.49 0.66 -0.75 0.00 0.00 0.00 175.10 175.49 3b8r s LYS 1110N -0.96 4.27 -0.90 2.72 2.20 -1.26 -5.00 119.74 120.81 3b8r s LYS 1110Ca 0.38 0.84 -0.17 0.00 -0.36 0.00 0.00 55.97 56.66 3b8r s LYS 1110Cb -0.24 -3.11 0.16 0.00 -1.51 0.00 0.00 37.83 33.14 3b8r s LYS 1110CO 0.28 0.54 1.01 0.42 -0.36 0.00 0.00 175.35 177.24 3b8r s ILE 1111N -1.28 5.03 0.00 5.43 -1.09 -1.26 -4.50 121.20 123.53 3b8r s ILE 1111Ca 0.35 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.88 3b8r s ILE 1111Cb -0.19 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.01 3b8r s ILE 1111CO 0.21 -1.35 0.00 -0.90 -1.23 0.00 0.00 174.94 171.67 3b8r n ASP 1112N 5.66 0.22 -0.20 3.58 3.85 -1.26 -5.00 116.55 123.39 3b8r n ASP 1112Ca 0.21 -0.01 -0.06 0.00 -0.71 0.00 0.00 54.79 54.22 3b8r n ASP 1112Cb 0.48 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.29 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 0.75 -0.79 0.11 3.07 -2.00 -2.59 114.58 113.13 3b8r h GLU 1113Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3b8r h GLU 1113Cb 0.00 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 27.70 3b8r h GLU 1113CO 0.00 0.50 0.44 1.49 -1.40 0.00 0.00 179.01 180.04 3b8r h GLU 1114N 0.78 1.10 -0.20 2.33 4.57 -1.97 -1.39 114.58 119.79 3b8r h GLU 1114Ca 0.22 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3b8r h GLU 1114Cb -0.07 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 3b8r h GLU 1114CO -0.05 0.80 0.11 0.35 -1.18 0.00 0.00 179.01 179.03 3b8r h PHE 1115N 1.11 0.28 -0.68 0.92 3.57 -1.70 -2.03 116.94 118.40 3b8r h PHE 1115Ca 0.28 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 3b8r h PHE 1115Cb 0.02 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3b8r h PHE 1115CO 0.01 0.26 0.14 0.00 -2.23 0.00 0.00 178.31 176.49 3b8r h ARG 1117N 1.04 -0.48 -0.50 0.00 2.43 -1.11 -1.95 114.38 113.81 3b8r h ARG 1117Ca 0.21 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 3b8r h ARG 1117Cb 0.40 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3b8r h ARG 1117CO 0.01 -0.32 0.34 0.00 -1.51 0.00 0.00 179.97 178.49 3b8r h ARG 1118N -0.50 0.37 -0.41 0.20 3.08 -1.26 0.46 114.38 116.31 3b8r h ARG 1118Ca -0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3b8r h ARG 1118Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3b8r h ARG 1118CO 0.05 0.24 0.12 1.25 -1.07 0.00 0.00 179.97 180.56 3b8r h LEU 1119N 0.38 0.55 0.02 3.04 5.85 -0.96 0.45 115.31 124.64 3b8r h LEU 1119Ca 0.22 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3b8r h LEU 1119Cb 0.40 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.29 3b8r h LEU 1119CO -0.06 0.54 -0.34 0.11 -0.34 0.00 0.00 178.44 178.35 3b8r h LYS 1120N 0.59 0.20 -0.73 1.25 1.57 0.28 -3.22 116.57 116.51 3b8r h LYS 1120Ca 0.14 -0.24 0.21 0.00 -1.87 0.00 0.00 60.65 58.89 3b8r h LYS 1120Cb 0.19 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3b8r h LYS 1120CO -0.01 1.00 0.52 0.93 -0.57 0.00 0.00 179.45 181.32 3b8r h GLU 1121N -0.50 0.02 0.00 3.15 4.39 0.14 -3.45 114.58 118.33 3b8r h GLU 1121Ca -0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3b8r h GLU 1121Cb 1.13 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3b8r h GLU 1121CO 0.07 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 3b8r n GLY 1122N -1.67 0.80 3.77 -3.84 0.00 -0.17 -5.07 105.19 99.00 3b8r n GLY 1122Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.75 2.33 0.03 2.61 2.01 -0.03 -4.99 115.64 115.85 3b8r s THR 1123Ca 0.00 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 3b8r s THR 1123Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3b8r s THR 1123CO 0.00 0.04 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.83 3b8r s ARG 1124N -2.41 0.47 0.74 4.92 1.81 -1.26 -4.52 118.95 118.70 3b8r s ARG 1124Ca 0.60 -0.86 -0.15 0.00 -1.72 0.00 0.00 55.73 53.60 3b8r s ARG 1124Cb -0.41 0.17 0.01 0.00 -0.45 0.00 0.00 34.95 34.27 3b8r s ARG 1124CO 0.52 -0.09 0.91 -1.33 -0.68 0.00 0.00 175.30 174.63 3b8r n MET 1125N 0.91 0.40 -2.67 3.54 2.81 -1.26 -4.99 117.12 115.86 3b8r n MET 1125Ca -0.19 0.19 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 3b8r n MET 1125Cb 0.58 -2.18 0.01 0.00 -0.71 0.00 0.00 33.22 30.92 3b8r n MET 1125CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3b8r s ARG 1126N -3.36 3.26 0.24 0.03 0.52 -1.26 -5.01 118.95 113.37 3b8r s ARG 1126Ca 0.71 -0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 55.59 3b8r s ARG 1126Cb -0.33 -2.39 -0.13 0.00 0.52 0.00 0.00 34.95 32.61 3b8r s ARG 1126CO 0.52 -0.35 1.41 0.00 0.02 0.00 0.00 175.30 176.91 3b8r n ALA 1127N -2.30 1.18 -1.52 2.13 0.00 -1.26 -4.98 120.51 113.76 3b8r n ALA 1127Ca 0.02 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 3b8r n ALA 1127Cb 0.56 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 17.80 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 2.62 0.63 0.00 0.04 -1.26 -4.96 135.00 131.63 3b8r s PRO 1128Ca 0.68 0.90 0.41 0.00 0.04 0.00 0.00 61.00 63.03 3b8r s PRO 1128Cb -0.64 -1.96 2.13 0.00 0.04 0.00 0.00 34.50 34.07 3b8r s PRO 1128CO 0.50 -1.31 2.27 -0.44 0.04 0.00 0.00 177.00 178.06 3b8r h ASP 1129N -0.87 0.00 -0.27 6.66 3.32 -1.91 -2.91 116.42 120.44 3b8r h ASP 1129Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3b8r h ASP 1129Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3b8r h ASP 1129CO 0.57 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.87 3b8r n TYR 1130N -3.17 0.49 -1.90 4.55 4.02 -0.23 -5.03 117.16 115.90 3b8r n TYR 1130Ca -0.02 -0.61 -0.31 0.00 -0.01 0.00 0.00 57.90 56.95 3b8r n TYR 1130Cb 0.13 -0.10 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.50 4.42 0.34 -0.72 -1.32 -1.10 -4.92 115.64 110.84 3b8r s THR 1131Ca 0.25 0.88 0.07 0.00 -1.21 0.00 0.00 61.69 61.68 3b8r s THR 1131Cb 0.16 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.45 3b8r s THR 1131CO 0.12 -0.93 0.29 0.42 -2.21 0.00 0.00 174.62 172.30 3b8r s THR 1132N -2.98 3.46 0.13 5.08 -4.23 -1.26 -5.00 115.64 110.84 3b8r s THR 1132Ca 0.57 -1.38 -0.20 0.00 -1.18 0.00 0.00 61.69 59.51 3b8r s THR 1132Cb -0.12 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 3b8r s THR 1132CO 0.49 -0.16 1.72 -0.65 -0.54 0.00 0.00 174.62 175.47 3b8r h PRO 1133N 1.24 0.06 -0.73 3.99 0.11 -2.00 -2.53 132.00 132.13 3b8r h PRO 1133Ca -0.44 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3b8r h PRO 1133Cb 1.25 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3b8r h PRO 1133CO 0.58 0.04 0.48 0.93 -0.21 0.00 0.00 178.00 179.82 3b8r h GLU 1134N 0.06 0.94 -0.84 1.05 3.07 -1.99 -2.68 114.58 114.18 3b8r h GLU 1134Ca 0.10 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 3b8r h GLU 1134Cb 0.13 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 3b8r h GLU 1134CO -0.17 0.62 0.38 1.98 -1.40 0.00 0.00 179.01 180.41 3b8r h MET 1135N 0.97 1.22 0.00 2.33 4.05 -1.92 -0.81 114.93 120.78 3b8r h MET 1135Ca 0.28 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 3b8r h MET 1135Cb -0.07 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.51 3b8r h MET 1135CO -0.08 0.96 -0.24 -0.92 0.23 0.00 0.00 176.91 176.86 3b8r h TYR 1136N 1.20 0.00 0.07 1.39 3.20 -1.23 -1.19 116.97 120.42 3b8r h TYR 1136Ca 0.28 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.91 3b8r h TYR 1136Cb 0.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3b8r h TYR 1136CO 0.02 0.24 -1.10 0.37 -1.64 0.00 0.00 178.16 176.05 3b8r h GLN 1137N 0.00 0.28 -0.49 1.82 5.75 -1.06 -2.13 115.11 119.28 3b8r h GLN 1137Ca -0.00 -0.40 -0.05 0.00 -0.15 0.00 0.00 58.65 58.05 3b8r h GLN 1137Cb 0.64 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 3b8r h GLN 1137CO 0.03 1.14 0.10 1.15 -2.65 0.00 0.00 178.83 178.60 3b8r h THR 1138N 0.11 1.22 0.66 2.39 2.02 -0.36 0.13 112.91 119.07 3b8r h THR 1138Ca -0.10 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 3b8r h THR 1138Cb 1.79 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3b8r h THR 1138CO 0.18 0.30 -0.32 0.24 0.37 0.00 0.00 175.52 176.29 3b8r h MET 1139N 0.73 -0.85 -0.86 6.66 2.86 -1.14 -1.05 114.93 121.27 3b8r h MET 1139Ca 0.16 0.06 0.15 0.00 -2.06 0.00 0.00 59.70 58.01 3b8r h MET 1139Cb 0.30 0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.06 3b8r h MET 1139CO 0.00 -0.54 0.44 -0.07 1.06 0.00 0.00 176.91 177.80 3b8r h LEU 1140N -0.98 0.52 -0.42 1.22 3.38 -0.97 0.11 115.31 118.17 3b8r h LEU 1140Ca -0.09 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3b8r h LEU 1140Cb 0.70 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3b8r h LEU 1140CO 0.15 0.21 0.25 0.44 0.09 0.00 0.00 178.44 179.58 3b8r h ASP 1141N 0.61 0.41 0.13 -0.43 3.32 -0.55 -1.18 116.42 118.73 3b8r h ASP 1141Ca 0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 3b8r h ASP 1141Cb 0.69 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3b8r h ASP 1141CO -0.38 0.29 -0.07 0.00 -1.72 0.00 0.00 179.24 177.36 3b8r n TRP 1143N -4.05 1.50 -1.76 0.00 8.01 -0.39 -3.76 117.44 116.98 3b8r n TRP 1143Ca -0.03 -0.58 -0.41 0.00 -1.31 0.00 0.00 57.50 55.18 3b8r n TRP 1143Cb 0.16 -0.42 0.01 0.00 -2.01 0.00 0.00 31.31 29.05 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 0.34 2.76 -0.13 -5.99 -0.00 -0.87 -4.91 115.22 106.42 3b8r n HIS 1144Ca 0.21 0.46 -0.07 0.00 0.46 0.00 0.00 57.72 58.78 3b8r n HIS 1144Cb 0.94 -2.48 0.01 0.00 -0.12 0.00 0.00 29.99 28.34 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 2.62 0.58 -6.27 1.57 0.00 -1.92 -3.39 103.07 96.26 3b8r h GLY 1145Ca -0.50 -0.19 -0.60 0.00 0.00 0.00 0.00 47.33 46.04 3b8r h GLY 1145CO 0.62 0.17 0.43 -0.54 0.00 0.00 0.00 176.54 177.22 3b8r s GLU 1146N -6.15 3.95 0.25 4.80 0.41 -1.26 -4.95 118.70 115.75 3b8r s GLU 1146Ca -0.13 0.60 -0.03 0.00 -0.41 0.00 0.00 54.97 55.00 3b8r s GLU 1146Cb 0.11 -3.74 0.50 0.00 -1.78 0.00 0.00 34.13 29.23 3b8r s GLU 1146CO 0.72 -0.71 1.71 -1.35 -0.49 0.00 0.00 175.26 175.14 3b8r h PRO 1147N 8.15 0.37 0.00 0.39 0.11 -1.96 0.21 132.00 139.28 3b8r h PRO 1147Ca -0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3b8r h PRO 1147Cb 1.09 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3b8r h PRO 1147CO 0.90 0.25 -0.02 0.66 -0.21 0.00 0.00 178.00 179.57 3b8r h SER 1148N 0.38 0.00 -0.06 -2.05 4.64 -1.95 -1.02 113.55 113.50 3b8r h SER 1148Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3b8r h SER 1148Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3b8r h SER 1148CO -0.45 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.53 3b8r n GLN 1149N -3.66 1.68 -2.92 4.77 1.13 0.06 -4.89 117.38 113.54 3b8r n GLN 1149Ca -0.03 -1.00 -0.32 0.00 -1.94 0.00 0.00 57.00 53.71 3b8r n GLN 1149Cb 0.11 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 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 -1.94 3.97 0.67 -1.09 0.52 -0.39 -4.94 118.95 115.75 3b8r s ARG 1150Ca 0.36 0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 56.15 3b8r s ARG 1150Cb 0.20 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.33 3b8r s ARG 1150CO 0.31 0.02 1.11 -1.25 0.02 0.00 0.00 175.30 175.52 3b8r s PRO 1151N -3.39 2.73 0.48 3.54 0.04 -1.26 -5.03 135.00 132.11 3b8r s PRO 1151Ca 0.55 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 3b8r s PRO 1151Cb -0.10 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3b8r s PRO 1151CO 0.22 -1.31 0.74 0.95 0.04 0.00 0.00 177.00 177.64 3b8r s THR 1152N -2.40 4.10 0.42 1.26 -4.23 -1.26 -4.92 115.64 108.60 3b8r s THR 1152Ca 0.66 -0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 3b8r s THR 1152Cb -0.20 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.34 3b8r s THR 1152CO 0.43 -0.45 2.04 -0.26 -0.54 0.00 0.00 174.62 175.84 3b8r h PHE 1153N 0.25 0.42 -0.47 3.99 0.04 -1.95 -0.79 116.94 118.43 3b8r h PHE 1153Ca -0.46 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.28 3b8r h PHE 1153Cb 1.25 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 3b8r h PHE 1153CO 0.48 0.31 0.21 0.77 -0.60 0.00 0.00 178.31 179.47 3b8r h SER 1154N 0.44 0.63 -0.45 2.17 0.02 -1.93 0.10 113.55 114.53 3b8r h SER 1154Ca 0.11 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3b8r h SER 1154Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3b8r h SER 1154CO -0.02 0.61 0.22 -0.33 -1.14 0.00 0.00 176.83 176.17 3b8r h GLU 1155N 0.62 0.65 -0.48 3.45 5.08 -1.75 -2.36 114.58 119.78 3b8r h GLU 1155Ca 0.16 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3b8r h GLU 1155Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3b8r h GLU 1155CO -0.02 0.56 0.30 -0.07 -1.00 0.00 0.00 179.01 178.78 3b8r h LEU 1156N 0.59 0.57 -0.38 1.33 3.38 -0.71 0.11 115.31 120.19 3b8r h LEU 1156Ca 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3b8r h LEU 1156Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3b8r h LEU 1156CO -0.02 0.43 0.01 0.58 0.09 0.00 0.00 178.44 179.53 3b8r h VAL 1157N 0.66 1.26 -0.21 1.22 2.07 -0.34 -0.21 116.25 120.69 3b8r h VAL 1157Ca 0.17 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3b8r h VAL 1157Cb -0.03 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3b8r h VAL 1157CO -0.03 0.33 0.03 -0.08 0.02 0.00 0.00 177.57 177.83 3b8r h GLU 1158N 0.49 0.36 0.53 1.57 4.81 -0.89 -0.61 114.58 120.84 3b8r h GLU 1158Ca 0.11 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3b8r h GLU 1158Cb 0.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3b8r h GLU 1158CO 0.02 0.52 -0.36 1.25 -0.73 0.00 0.00 179.01 179.70 3b8r h HIS 1159N 0.15 -0.96 0.00 0.92 2.76 -0.90 -1.17 115.15 115.95 3b8r h HIS 1159Ca 0.06 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3b8r h HIS 1159Cb 0.34 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 3b8r h HIS 1159CO 0.02 -0.54 -0.06 -0.07 -1.30 0.00 0.00 177.93 175.99 3b8r h LEU 1160N -0.86 0.00 -0.37 0.26 3.38 -1.07 -0.37 115.31 116.27 3b8r h LEU 1160Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3b8r h LEU 1160Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3b8r h LEU 1160CO 0.04 0.06 0.03 1.23 0.09 0.00 0.00 178.44 179.89 3b8r h GLY 1161N 0.24 0.69 1.37 0.83 0.00 -0.55 -0.66 103.07 104.99 3b8r h GLY 1161Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 3b8r h GLY 1161CO 0.01 0.44 -0.23 3.43 0.00 0.00 0.00 176.54 180.19 3b8r h ASN 1162N 0.47 0.74 -0.39 0.19 2.35 -0.10 -2.18 115.58 116.66 3b8r h ASN 1162Ca 0.11 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3b8r h ASN 1162Cb 0.41 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3b8r h ASN 1162CO 0.01 0.95 0.15 -0.07 -1.65 0.00 0.00 177.43 176.82 3b8r h LEU 1163N 0.64 0.55 -0.76 1.61 3.38 -0.96 -0.12 115.31 119.65 3b8r h LEU 1163Ca 0.09 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3b8r h LEU 1163Cb 0.73 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 3b8r h LEU 1163CO 0.06 0.58 0.42 0.25 0.09 0.00 0.00 178.44 179.83 3b8r h LEU 1164N 0.49 0.60 -0.35 1.67 5.85 -0.89 0.01 115.31 122.69 3b8r h LEU 1164Ca 0.13 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3b8r h LEU 1164Cb 0.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3b8r h LEU 1164CO -0.01 0.36 -0.29 1.56 -0.34 0.00 0.00 178.44 179.72 3b8r h GLN 1165N 0.73 0.81 -0.80 1.25 1.08 -1.06 -1.86 115.11 115.26 3b8r h GLN 1165Ca 0.36 -0.41 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3b8r h GLN 1165Cb 0.30 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 3b8r h GLN 1165CO -0.23 1.04 0.51 0.00 -0.95 0.00 0.00 178.83 179.20 3b8r h ALA 1166N 0.75 1.07 -0.62 3.87 0.00 -0.31 -0.57 119.26 123.45 3b8r h ALA 1166Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3b8r h ALA 1166Cb 0.87 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3b8r h ALA 1166CO 0.08 0.29 0.03 -0.97 0.00 0.00 0.00 179.25 178.68 3b8r h ASN 1167N 0.97 1.04 -0.48 0.00 -1.24 -0.90 -1.86 115.58 113.11 3b8r h ASN 1167Ca 0.33 -0.29 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 3b8r h ASN 1167Cb 0.07 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 3b8r h ASN 1167CO -0.13 1.08 0.08 0.00 -1.29 0.00 0.00 177.43 177.16 3b8r h ALA 1168N 1.00 0.64 0.43 1.57 0.00 -0.51 0.86 119.26 123.25 3b8r h ALA 1168Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3b8r h ALA 1168Cb 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3b8r h ALA 1168CO 0.02 0.37 -0.20 0.37 0.00 0.00 0.00 179.25 179.82 3b8r h GLN 1169N 0.68 -0.55 -0.65 0.00 4.15 -1.05 0.82 115.11 118.51 3b8r h GLN 1169Ca 0.15 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.74 3b8r h GLN 1169Cb 0.39 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.11 3b8r h GLN 1169CO 0.01 -0.33 0.09 1.96 -1.93 0.00 0.00 178.83 178.62 3b8r h GLN 1170N -0.63 0.19 -0.66 1.69 4.20 -1.18 0.22 115.11 118.94 3b8r h GLN 1170Ca -0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3b8r h GLN 1170Cb 0.47 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3b8r h GLN 1170CO 0.10 0.13 0.34 -0.44 -0.67 0.00 0.00 178.83 178.29 3b8r h ASP 1171N 0.20 0.83 -0.62 1.46 5.19 -0.39 -0.64 116.42 122.44 3b8r h ASP 1171Ca 0.35 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.67 3b8r h ASP 1171Cb 0.57 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 3b8r h ASP 1171CO -0.49 0.68 0.31 0.03 -3.12 0.00 0.00 179.24 176.65 3b8r h ARG 1172N 0.93 0.91 -0.07 3.56 3.08 0.12 -0.33 114.38 122.58 3b8r h ARG 1172Ca 0.23 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3b8r h ARG 1172Cb 0.05 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3b8r h ARG 1172CO -0.04 0.71 -0.08 0.45 -1.07 0.00 0.00 179.97 179.94 3b8r h HIS 1173N 0.91 0.22 -0.51 3.04 3.86 -0.64 -0.62 115.15 121.40 3b8r h HIS 1173Ca 0.23 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 3b8r h HIS 1173Cb 0.09 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 3b8r h HIS 1173CO 0.01 0.64 0.08 0.45 0.86 0.00 0.00 177.93 179.97 3b8r h HIS 1174N -0.26 0.12 -0.57 2.45 3.86 -0.90 -1.34 115.15 118.50 3b8r h HIS 1174Ca 0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 3b8r h HIS 1174Cb 0.61 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3b8r h HIS 1174CO 0.10 -0.04 0.11 1.25 0.86 0.00 0.00 177.93 180.21 3b8r h HIS 1175N 0.21 0.93 0.00 2.45 6.17 -1.00 -2.94 115.15 120.97 3b8r h HIS 1175Ca 0.26 -0.10 -0.20 0.00 0.71 0.00 0.00 60.37 61.04 3b8r h HIS 1175Cb 0.37 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.02 3b8r h HIS 1175CO -0.25 0.79 -0.88 1.25 0.71 0.00 0.00 177.93 179.54 3b8r h HIS 1176N 0.85 0.30 -0.02 5.26 6.17 -0.33 -3.28 115.15 124.09 3b8r h HIS 1176Ca 0.18 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 61.10 3b8r h HIS 1176Cb 0.35 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.25 3b8r h HIS 1176CO 0.02 0.98 -0.00 0.72 0.71 0.00 0.00 177.93 180.36 3b8r n HIS 1177N -3.65 0.00 -0.74 5.26 8.25 -0.58 -5.09 115.22 118.66 3b8r n HIS 1177Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3b8r n HIS 1177Cb 0.81 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3b8r n HIS 1177CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70