#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jy9 s GLN 843 N 0.00 3.59 -0.26 1.09 -1.52 -1.26 -4.92 119.66 116.38 3jy9 s GLN 843 Ca 0.00 -0.10 -0.08 0.00 -1.95 0.00 0.00 55.36 53.23 3jy9 s GLN 843 Cb 0.00 -2.68 -0.03 0.00 -0.22 0.00 0.00 33.01 30.08 3jy9 s GLN 843 CO 0.00 0.23 0.09 -0.06 -0.25 0.00 0.00 175.29 175.30 3jy9 s PHE 844 N -2.09 3.11 -0.04 0.91 0.40 -1.26 -5.09 117.98 113.91 3jy9 s PHE 844 Ca 0.42 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 56.11 3jy9 s PHE 844 Cb -0.11 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 3jy9 s PHE 844 CO 0.31 -0.35 0.82 -1.21 0.70 0.00 0.00 175.22 175.50 3jy9 s GLU 845 N 1.63 4.48 0.37 0.44 2.02 -1.26 -4.46 118.70 121.93 3jy9 s GLU 845 Ca 0.06 1.12 0.11 0.00 0.02 0.00 0.00 54.97 56.28 3jy9 s GLU 845 Cb -0.15 -3.46 0.88 0.00 0.10 0.00 0.00 34.13 31.50 3jy9 s GLU 845 CO 0.05 0.00 1.86 1.49 0.02 0.00 0.00 175.26 178.68 3jy9 h GLU 846 N 6.80 0.60 0.00 1.61 4.22 -1.95 -1.81 114.58 124.05 3jy9 h GLU 846 Ca -0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 58.98 3jy9 h GLU 846 Cb 1.20 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 3jy9 h GLU 846 CO 0.76 0.40 -0.08 0.07 -2.18 0.00 0.00 179.01 177.98 3jy9 h ARG 847 N 0.62 0.00 -0.03 1.92 0.11 -1.96 -2.35 114.38 112.69 3jy9 h ARG 847 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 3jy9 h ARG 847 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 3jy9 h ARG 847 CO -0.20 0.08 -0.05 0.72 0.10 0.00 0.00 179.97 180.62 3jy9 n HIS 848 N -3.83 0.00 -2.73 4.08 8.25 -0.68 -4.83 115.22 115.48 3jy9 n HIS 848 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 3jy9 n HIS 848 Cb 0.17 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 3jy9 n HIS 848 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jy9 s LEU 849 N -2.05 3.85 -0.18 2.41 1.43 -0.89 -1.19 118.68 122.06 3jy9 s LEU 849 Ca 0.28 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 3jy9 s LEU 849 Cb 0.20 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 3jy9 s LEU 849 CO 0.33 -1.18 0.15 -0.54 0.23 0.00 0.00 176.35 175.34 3jy9 s LYS 850 N 4.12 4.08 0.19 1.70 1.02 0.30 -4.93 119.74 126.22 3jy9 s LYS 850 Ca 0.40 -0.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.91 3jy9 s LYS 850 Cb -0.09 -3.38 -0.10 0.00 -0.52 0.00 0.00 37.83 33.74 3jy9 s LYS 850 CO 0.27 0.37 1.46 0.12 -0.92 0.00 0.00 175.35 176.65 3jy9 s PHE 851 N 0.14 3.09 0.04 3.18 5.36 -1.26 -1.27 117.98 127.25 3jy9 s PHE 851 Ca 0.10 0.91 -0.00 0.00 -0.96 0.00 0.00 56.93 56.97 3jy9 s PHE 851 Cb -0.11 -3.81 -0.00 0.00 -0.34 0.00 0.00 43.02 38.75 3jy9 s PHE 851 CO -0.00 -2.78 -0.00 1.28 -1.46 0.00 0.00 175.22 172.25 3jy9 n LEU 852 N 3.15 0.50 -3.67 6.12 4.77 -0.28 -4.91 117.00 122.68 3jy9 n LEU 852 Ca 0.10 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 3jy9 n LEU 852 Cb 0.40 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3jy9 n LEU 852 CO 0.60 -0.32 0.22 -1.58 -1.33 0.00 0.00 177.39 174.99 3jy9 s GLN 853 N -2.01 0.71 -0.02 3.23 0.74 -0.84 -4.99 119.66 116.49 3jy9 s GLN 853 Ca -0.00 0.49 -0.22 0.00 0.05 0.00 0.00 55.36 55.67 3jy9 s GLN 853 Cb 0.00 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 3jy9 s GLN 853 CO 0.01 -0.14 0.64 -1.14 -0.55 0.00 0.00 175.29 174.10 3jy9 s GLN 854 N -0.28 4.38 -0.15 1.67 0.74 -1.26 0.25 119.66 125.00 3jy9 s GLN 854 Ca -0.04 0.80 0.17 0.00 0.05 0.00 0.00 55.36 56.34 3jy9 s GLN 854 Cb -0.03 -3.37 -0.25 0.00 1.10 0.00 0.00 33.01 30.46 3jy9 s GLN 854 CO 0.03 0.27 0.14 1.28 -0.55 0.00 0.00 175.29 176.47 3jy9 n LEU 855 N 3.03 0.00 0.00 3.68 4.77 0.26 -4.87 117.00 123.86 3jy9 n LEU 855 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3jy9 n LEU 855 Cb 0.51 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3jy9 n LEU 855 CO 0.45 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3jy9 n GLY 856 N 1.75 1.67 3.12 -0.72 0.00 -1.10 -4.97 105.19 104.94 3jy9 n GLY 856 Ca -0.25 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 3jy9 n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jy9 s LYS 857 N -2.00 0.77 0.00 1.61 1.02 -1.26 -0.23 119.74 119.65 3jy9 s LYS 857 Ca 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.68 3jy9 s LYS 857 Cb 0.00 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 3jy9 s LYS 857 CO 0.00 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 3jy9 n GLY 858 N 0.01 -0.28 0.00 -3.33 0.00 -1.26 -4.98 105.19 95.34 3jy9 n GLY 858 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3jy9 n GLY 858 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jy9 n GLY 861 N 0.00 0.00 3.08 -0.02 0.00 -1.26 -5.16 105.19 101.83 3jy9 n GLY 861 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3jy9 n GLY 861 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jy9 s SER 862 N 0.00 0.19 -0.14 1.61 1.04 -0.65 -4.83 113.70 110.93 3jy9 s SER 862 Ca 0.00 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3jy9 s SER 862 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3jy9 s SER 862 CO 0.00 -0.43 -0.19 -0.69 0.98 0.00 0.00 173.24 172.91 3jy9 s VAL 863 N -2.15 2.35 0.15 5.02 1.01 0.68 -2.09 120.40 125.37 3jy9 s VAL 863 Ca -0.09 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.09 3jy9 s VAL 863 Cb -0.04 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3jy9 s VAL 863 CO -0.03 0.54 -0.13 -1.61 0.00 0.00 0.00 175.10 173.87 3jy9 s GLU 864 N 0.70 1.94 -0.24 2.72 2.02 0.84 -0.58 118.70 126.10 3jy9 s GLU 864 Ca -0.09 -1.22 -0.23 0.00 0.02 0.00 0.00 54.97 53.45 3jy9 s GLU 864 Cb -0.16 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 3jy9 s GLU 864 CO 0.01 0.46 0.76 1.41 0.02 0.00 0.00 175.26 177.92 3jy9 s MET 865 N -2.51 4.17 0.22 1.61 -2.45 0.14 -0.77 119.30 119.72 3jy9 s MET 865 Ca 0.22 0.81 0.06 0.00 -1.25 0.00 0.00 55.69 55.53 3jy9 s MET 865 Cb -0.10 -3.64 -0.05 0.00 1.25 0.00 0.00 34.83 32.30 3jy9 s MET 865 CO 0.13 -0.45 -0.09 0.00 1.05 0.00 0.00 175.02 175.66 3jy9 s ARG 867 N -3.72 3.30 -0.63 0.00 3.52 -0.40 0.78 118.95 121.81 3jy9 s ARG 867 Ca 0.25 -0.68 -0.26 0.00 -0.13 0.00 0.00 55.73 54.91 3jy9 s ARG 867 Cb 0.02 -2.84 0.04 0.00 -1.56 0.00 0.00 34.95 30.61 3jy9 s ARG 867 CO 0.08 -0.11 1.13 -0.47 -0.81 0.00 0.00 175.30 175.13 3jy9 s TYR 868 N 1.18 2.56 -0.53 5.12 5.04 0.21 -0.54 117.35 130.38 3jy9 s TYR 868 Ca 0.02 0.06 0.07 0.00 -2.44 0.00 0.00 57.07 54.78 3jy9 s TYR 868 Cb -0.14 -4.42 0.27 0.00 0.35 0.00 0.00 41.96 38.02 3jy9 s TYR 868 CO -0.03 -1.69 0.70 -3.47 -1.34 0.00 0.00 175.55 169.72 3jy9 n ASP 869 N 8.40 2.50 0.26 4.32 2.03 -0.33 -2.96 116.55 130.76 3jy9 n ASP 869 Ca 0.04 -3.21 0.08 0.00 0.52 0.00 0.00 54.79 52.22 3jy9 n ASP 869 Cb 0.48 -0.64 0.64 0.00 -0.72 0.00 0.00 41.12 40.88 3jy9 n ASP 869 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3jy9 h PRO 870 N 3.88 0.00 0.00 -0.67 0.13 -1.93 -1.63 132.00 131.77 3jy9 h PRO 870 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3jy9 h PRO 870 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3jy9 h PRO 870 CO 0.69 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 3jy9 n LEU 871 N -4.47 0.00 0.00 1.56 4.32 -1.26 -4.92 117.00 112.23 3jy9 n LEU 871 Ca -0.03 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 3jy9 n LEU 871 Cb 0.11 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 3jy9 n LEU 871 CO 0.34 -0.03 0.00 0.00 -1.22 0.00 0.00 177.39 176.48 3jy9 n GLN 872 N -1.25 -1.86 -0.96 3.23 6.02 -0.62 -4.83 117.38 117.10 3jy9 n GLN 872 Ca 0.14 0.37 -0.11 0.00 -0.01 0.00 0.00 57.00 57.39 3jy9 n GLN 872 Cb 0.20 -4.42 0.19 0.00 1.02 0.00 0.00 30.24 27.23 3jy9 n GLN 872 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3jy9 n ASP 873 N -0.14 2.94 -1.41 1.08 5.68 -1.26 -4.99 116.55 118.45 3jy9 n ASP 873 Ca 0.00 -3.75 -0.11 0.00 -0.50 0.00 0.00 54.79 50.43 3jy9 n ASP 873 Cb 0.37 -0.70 -0.04 0.00 -1.14 0.00 0.00 41.12 39.61 3jy9 n ASP 873 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3jy9 n ASN 874 N -1.12 -2.85 -0.76 -1.12 3.02 -1.26 -4.82 115.26 106.34 3jy9 n ASN 874 Ca 0.42 0.26 0.11 0.00 -0.03 0.00 0.00 54.58 55.34 3jy9 n ASN 874 Cb 1.21 -2.73 0.32 0.00 -0.61 0.00 0.00 39.78 37.96 3jy9 n ASN 874 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3jy9 n THR 875 N -1.85 0.26 -1.74 3.41 -2.24 -1.26 -5.00 114.28 105.85 3jy9 n THR 875 Ca -0.11 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 60.91 3jy9 n THR 875 Cb 0.37 0.66 0.12 0.00 -2.10 0.00 0.00 70.33 69.39 3jy9 n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3jy9 s GLY 876 N -1.62 1.60 0.26 3.38 0.00 -1.26 -5.00 107.32 104.68 3jy9 s GLY 876 Ca 0.34 -0.67 -0.30 0.00 0.00 0.00 0.00 44.72 44.10 3jy9 s GLY 876 CO 0.29 -0.11 1.07 1.85 0.00 0.00 0.00 173.10 176.20 3jy9 s GLU 877 N -5.50 4.67 0.04 2.90 2.12 -1.16 -4.71 118.70 117.07 3jy9 s GLU 877 Ca 0.64 1.74 -0.24 0.00 0.36 0.00 0.00 54.97 57.47 3jy9 s GLU 877 Cb -0.12 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 3jy9 s GLU 877 CO 0.51 0.25 0.71 0.08 -0.54 0.00 0.00 175.26 176.28 3jy9 s VAL 878 N -1.04 4.76 0.14 3.70 1.01 -1.26 -0.62 120.40 127.09 3jy9 s VAL 878 Ca 0.44 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.95 3jy9 s VAL 878 Cb -0.31 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3jy9 s VAL 878 CO 0.39 0.39 0.01 0.68 0.00 0.00 0.00 175.10 176.57 3jy9 s VAL 879 N -0.16 0.43 -0.17 2.92 -7.23 0.23 -4.39 120.40 112.04 3jy9 s VAL 879 Ca 0.36 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 3jy9 s VAL 879 Cb -0.20 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 3jy9 s VAL 879 CO 0.21 -0.56 0.13 0.00 -0.31 0.00 0.00 175.10 174.58 3jy9 s ALA 880 N -3.82 3.77 -0.15 1.32 0.00 -0.36 -1.37 121.76 121.15 3jy9 s ALA 880 Ca 0.21 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3jy9 s ALA 880 Cb 0.07 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.12 3jy9 s ALA 880 CO 0.01 0.36 -0.16 0.08 0.00 0.00 0.00 175.76 176.05 3jy9 s VAL 881 N -0.24 1.69 -0.15 0.00 1.01 0.05 -0.15 120.40 122.61 3jy9 s VAL 881 Ca 0.11 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3jy9 s VAL 881 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3jy9 s VAL 881 CO 0.01 0.48 0.13 -0.75 0.00 0.00 0.00 175.10 174.97 3jy9 s LYS 882 N 1.41 3.72 0.06 2.72 2.20 -0.20 -0.11 119.74 129.54 3jy9 s LYS 882 Ca 0.04 -0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.46 3jy9 s LYS 882 Cb -0.13 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 3jy9 s LYS 882 CO -0.11 0.59 0.00 -1.59 -0.36 0.00 0.00 175.35 173.89 3jy9 s LYS 883 N -0.49 0.67 0.11 4.03 -2.85 -0.89 -0.44 119.74 119.88 3jy9 s LYS 883 Ca 0.12 -1.22 -0.20 0.00 -1.00 0.00 0.00 55.97 53.67 3jy9 s LYS 883 Cb -0.12 0.23 -0.07 0.00 -2.06 0.00 0.00 37.83 35.81 3jy9 s LYS 883 CO 0.02 -0.15 0.62 -0.51 0.10 0.00 0.00 175.35 175.43 3jy9 s LEU 884 N -2.93 4.52 -0.17 2.77 1.43 -1.26 -1.63 118.68 121.40 3jy9 s LEU 884 Ca 0.09 1.33 0.17 0.00 -1.03 0.00 0.00 54.13 54.69 3jy9 s LEU 884 Cb 0.08 -3.04 -0.25 0.00 0.03 0.00 0.00 46.19 43.01 3jy9 s LEU 884 CO -0.09 0.24 0.17 1.67 0.23 0.00 0.00 176.35 178.57 3jy9 n GLN 885 N 1.56 0.68 -3.98 1.70 -0.06 -1.26 -4.77 117.38 111.25 3jy9 n GLN 885 Ca -0.09 0.04 -0.31 0.00 -2.00 0.00 0.00 57.00 54.65 3jy9 n GLN 885 Cb 0.50 -1.56 -0.14 0.00 -4.06 0.00 0.00 30.24 24.98 3jy9 n GLN 885 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3jy9 s HIS 886 N -2.52 3.45 -1.17 3.69 3.76 -1.26 -5.05 115.29 116.19 3jy9 s HIS 886 Ca -0.09 -3.09 -0.04 0.00 -0.15 0.00 0.00 55.06 51.68 3jy9 s HIS 886 Cb 0.06 -2.88 0.23 0.00 1.11 0.00 0.00 32.58 31.11 3jy9 s HIS 886 CO 0.83 -0.84 1.97 -1.13 -0.85 0.00 0.00 174.74 174.72 3jy9 n SER 887 N 3.63 7.15 -4.74 1.40 3.41 -1.26 -4.90 113.62 118.30 3jy9 n SER 887 Ca 0.05 -3.38 -0.32 0.00 -0.26 0.00 0.00 58.87 54.95 3jy9 n SER 887 Cb 0.37 -1.29 0.10 0.00 -0.26 0.00 0.00 64.21 63.12 3jy9 n SER 887 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3jy9 s THR 888 N -2.38 2.93 0.42 6.66 -4.23 -1.26 -4.84 115.64 112.94 3jy9 s THR 888 Ca 0.43 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.37 3jy9 s THR 888 Cb 0.15 -2.76 0.24 0.00 1.34 0.00 0.00 72.50 71.47 3jy9 s THR 888 CO -0.06 -0.35 2.04 1.05 -0.54 0.00 0.00 174.62 176.76 3jy9 h GLU 889 N -0.90 0.40 -0.07 3.99 4.11 -2.00 -1.56 114.58 118.55 3jy9 h GLU 889 Ca -0.45 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 3jy9 h GLU 889 Cb 1.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3jy9 h GLU 889 CO 0.50 0.31 -0.03 1.49 0.07 0.00 0.00 179.01 181.35 3jy9 h GLU 890 N 0.40 0.15 -0.53 1.06 4.81 -1.98 -2.92 114.58 115.58 3jy9 h GLU 890 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3jy9 h GLU 890 Cb 0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3jy9 h GLU 890 CO -0.01 0.51 0.25 0.45 -0.73 0.00 0.00 179.01 179.48 3jy9 h HIS 891 N -0.22 0.77 -0.43 0.92 3.86 -1.86 -0.59 115.15 117.61 3jy9 h HIS 891 Ca 0.02 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 3jy9 h HIS 891 Cb 0.47 -0.24 -0.09 0.00 1.06 0.00 0.00 27.41 28.61 3jy9 h HIS 891 CO 0.07 0.60 -0.24 -0.07 0.86 0.00 0.00 177.93 179.14 3jy9 h LEU 892 N 0.71 -0.82 -1.22 2.43 3.38 -1.37 0.15 115.31 118.58 3jy9 h LEU 892 Ca 0.18 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 3jy9 h LEU 892 Cb 0.12 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3jy9 h LEU 892 CO -0.02 -0.26 -0.09 -0.09 0.09 0.00 0.00 178.44 178.06 3jy9 h ARG 893 N -0.16 0.43 -0.52 1.13 2.43 -1.34 -0.21 114.38 116.13 3jy9 h ARG 893 Ca 0.20 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3jy9 h ARG 893 Cb 0.48 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3jy9 h ARG 893 CO -0.52 0.53 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.00 3jy9 h ASP 894 N 0.40 0.89 -0.13 -3.80 5.19 -0.42 -2.86 116.42 115.70 3jy9 h ASP 894 Ca 0.08 -0.25 -0.21 0.00 -0.62 0.00 0.00 57.03 56.04 3jy9 h ASP 894 Cb 0.42 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3jy9 h ASP 894 CO 0.02 0.97 -0.70 0.15 -3.12 0.00 0.00 179.24 176.56 3jy9 h PHE 895 N 0.83 1.00 -0.37 4.55 3.57 0.06 -1.69 116.94 124.90 3jy9 h PHE 895 Ca 0.15 -0.41 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 3jy9 h PHE 895 Cb 0.54 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3jy9 h PHE 895 CO 0.03 1.23 0.04 1.49 -2.23 0.00 0.00 178.31 178.87 3jy9 h GLU 896 N 0.54 0.56 -0.37 1.11 4.81 -1.12 -0.34 114.58 119.77 3jy9 h GLU 896 Ca -0.03 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 3jy9 h GLU 896 Cb 1.31 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3jy9 h GLU 896 CO 0.14 0.55 -0.23 0.00 -0.73 0.00 0.00 179.01 178.75 3jy9 h ARG 897 N 0.54 0.80 -0.76 1.92 3.08 -1.23 -1.62 114.38 117.11 3jy9 h ARG 897 Ca 0.12 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 59.85 3jy9 h ARG 897 Cb 0.29 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3jy9 h ARG 897 CO 0.00 1.00 0.47 1.49 -1.07 0.00 0.00 179.97 181.86 3jy9 h GLU 898 N 0.60 0.85 -0.27 0.04 4.81 -0.95 -0.92 114.58 118.74 3jy9 h GLU 898 Ca 0.08 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3jy9 h GLU 898 Cb 0.79 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3jy9 h GLU 898 CO 0.06 0.56 0.15 0.82 -0.73 0.00 0.00 179.01 179.88 3jy9 h ILE 899 N 0.88 1.11 -0.25 2.32 2.04 -0.86 -1.09 117.51 121.66 3jy9 h ILE 899 Ca 0.32 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 3jy9 h ILE 899 Cb 0.11 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3jy9 h ILE 899 CO -0.15 0.11 -0.16 -0.33 0.00 0.00 0.00 178.15 177.63 3jy9 h GLU 900 N 0.33 0.44 0.50 2.37 4.39 -0.80 -1.16 114.58 120.65 3jy9 h GLU 900 Ca 0.10 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3jy9 h GLU 900 Cb 0.05 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3jy9 h GLU 900 CO -0.02 0.59 -0.24 0.82 -1.16 0.00 0.00 179.01 179.00 3jy9 h ILE 901 N 0.40 0.49 -0.62 3.13 2.04 -1.04 -2.29 117.51 119.62 3jy9 h ILE 901 Ca 0.07 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3jy9 h ILE 901 Cb 0.51 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3jy9 h ILE 901 CO 0.03 0.03 0.40 0.25 0.00 0.00 0.00 178.15 178.86 3jy9 h LEU 902 N -0.78 0.68 -1.45 1.44 5.85 -1.07 -2.36 115.31 117.62 3jy9 h LEU 902 Ca -0.07 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3jy9 h LEU 902 Cb 0.56 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3jy9 h LEU 902 CO 0.11 0.49 0.39 0.50 -0.34 0.00 0.00 178.44 179.59 3jy9 h LYS 903 N 0.81 0.72 0.00 1.25 3.64 -1.21 -1.93 116.57 119.84 3jy9 h LYS 903 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3jy9 h LYS 903 Cb -0.05 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3jy9 h LYS 903 CO -0.07 0.47 0.00 -1.13 -2.27 0.00 0.00 179.45 176.45 3jy9 n SER 904 N -4.46 0.00 -4.67 4.20 3.41 -0.87 -4.79 113.62 106.45 3jy9 n SER 904 Ca 0.06 -0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 57.86 3jy9 n SER 904 Cb 0.09 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 3jy9 n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jy9 s LEU 905 N -2.33 4.01 -0.22 1.04 1.43 -0.73 -5.07 118.68 116.80 3jy9 s LEU 905 Ca 0.35 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3jy9 s LEU 905 Cb 0.20 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.46 3jy9 s LEU 905 CO 0.40 0.15 0.11 0.00 0.23 0.00 0.00 176.35 177.24 3jy9 s GLN 906 N 0.53 0.13 -0.05 1.70 0.00 -1.26 -4.82 119.66 115.88 3jy9 s GLN 906 Ca 0.06 -0.28 -0.25 0.00 -0.00 0.00 0.00 55.36 54.89 3jy9 s GLN 906 Cb -0.12 -1.56 0.05 0.00 0.00 0.00 0.00 33.01 31.38 3jy9 s GLN 906 CO 0.00 -0.82 0.56 -1.58 0.00 0.00 0.00 175.29 173.45 3jy9 s HIS 907 N 2.12 -0.51 0.57 9.60 2.46 -1.26 -5.02 115.29 123.24 3jy9 s HIS 907 Ca 0.05 0.90 0.27 0.00 0.47 0.00 0.00 55.06 56.75 3jy9 s HIS 907 Cb -0.16 0.30 1.57 0.00 -0.13 0.00 0.00 32.58 34.16 3jy9 s HIS 907 CO -0.21 -0.52 2.09 -0.44 -2.47 0.00 0.00 174.74 173.19 3jy9 h ASP 908 N 3.46 0.00 -0.43 9.88 3.45 -1.99 -2.70 116.42 128.08 3jy9 h ASP 908 Ca -0.28 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 56.95 3jy9 h ASP 908 Cb 1.15 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.78 3jy9 h ASP 908 CO 0.37 0.00 -0.04 0.59 -1.57 0.00 0.00 179.24 178.59 3jy9 n ASN 909 N -3.98 2.74 -3.95 6.45 4.13 -1.26 -4.81 115.26 114.58 3jy9 n ASN 909 Ca 0.03 -3.79 -0.25 0.00 1.68 0.00 0.00 54.58 52.25 3jy9 n ASN 909 Cb 0.35 -0.65 -0.17 0.00 -1.54 0.00 0.00 39.78 37.77 3jy9 n ASN 909 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3jy9 s ILE 910 N -3.35 0.96 0.19 2.41 -1.09 -1.02 -1.18 121.20 118.12 3jy9 s ILE 910 Ca 0.46 -0.32 -0.32 0.00 -2.23 0.00 0.00 60.65 58.24 3jy9 s ILE 910 Cb 0.42 -0.94 -0.16 0.00 -1.58 0.00 0.00 42.46 40.20 3jy9 s ILE 910 CO 0.00 0.34 1.07 0.55 -1.23 0.00 0.00 174.94 175.67 3jy9 n VAL 911 N 4.34 1.14 -2.89 2.92 3.14 -0.98 -4.62 118.33 121.38 3jy9 n VAL 911 Ca -0.18 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 60.50 3jy9 n VAL 911 Cb 0.51 -0.74 -0.04 0.00 -1.06 0.00 0.00 33.84 32.51 3jy9 n VAL 911 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3jy9 s LYS 912 N -0.62 4.25 0.33 1.45 1.02 -1.26 -4.99 119.74 119.92 3jy9 s LYS 912 Ca 0.71 0.99 -0.29 0.00 0.02 0.00 0.00 55.97 57.40 3jy9 s LYS 912 Cb -0.86 -3.60 -0.11 0.00 -0.52 0.00 0.00 37.83 32.74 3jy9 s LYS 912 CO 0.54 -0.40 1.51 -0.47 -0.92 0.00 0.00 175.35 175.60 3jy9 s TYR 913 N 2.43 2.73 -0.03 3.18 5.04 -1.26 -1.54 117.35 127.90 3jy9 s TYR 913 Ca 0.37 1.03 0.02 0.00 -2.44 0.00 0.00 57.07 56.05 3jy9 s TYR 913 Cb -0.16 -3.99 -0.03 0.00 0.35 0.00 0.00 41.96 38.13 3jy9 s TYR 913 CO 0.10 -3.08 -0.00 1.63 -1.34 0.00 0.00 175.55 172.86 3jy9 n LYS 914 N 1.33 2.31 -3.45 4.97 5.02 0.27 -4.85 118.16 123.75 3jy9 n LYS 914 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3jy9 n LYS 914 Cb 0.39 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3jy9 n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jy9 n GLY 915 N 3.02 -0.94 2.92 0.72 0.00 -0.82 -5.00 105.19 105.08 3jy9 n GLY 915 Ca -0.05 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3jy9 n GLY 915 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jy9 s VAL 916 N -3.00 0.20 -0.19 1.61 1.01 -1.26 -0.30 120.40 118.47 3jy9 s VAL 916 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 3jy9 s VAL 916 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3jy9 s VAL 916 CO 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.02 3jy9 s TYR 918 N 1.09 3.31 0.00 0.00 2.02 -1.26 -2.10 117.35 120.42 3jy9 s TYR 918 Ca 0.01 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 3jy9 s TYR 918 Cb -0.15 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 3jy9 s TYR 918 CO -0.02 -0.12 0.00 -1.13 -1.57 0.00 0.00 175.55 172.71 3jy9 n SER 919 N -1.90 0.00 -4.95 2.29 3.41 -1.26 -4.59 113.62 106.62 3jy9 n SER 919 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.35 3jy9 n SER 919 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3jy9 n SER 919 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3jy9 s ARG 923 N -0.40 3.45 -0.50 4.33 6.06 -1.26 -4.91 118.95 125.73 3jy9 s ARG 923 Ca 0.00 -0.59 0.07 0.00 -2.50 0.00 0.00 55.73 52.71 3jy9 s ARG 923 Cb 0.00 -2.93 0.26 0.00 0.06 0.00 0.00 34.95 32.34 3jy9 s ARG 923 CO 0.00 0.48 0.65 -1.71 -2.50 0.00 0.00 175.30 172.22 3jy9 n ASN 924 N -0.75 1.90 -4.72 -2.12 4.05 -1.26 -5.09 115.26 107.27 3jy9 n ASN 924 Ca -0.07 -3.07 -0.38 0.00 0.45 0.00 0.00 54.58 51.51 3jy9 n ASN 924 Cb 0.55 -0.65 0.06 0.00 1.23 0.00 0.00 39.78 40.97 3jy9 n ASN 924 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jy9 n LEU 925 N 1.01 5.57 -4.19 1.20 4.77 -1.26 -4.89 117.00 119.21 3jy9 n LEU 925 Ca 0.25 0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 3jy9 n LEU 925 Cb 0.48 -1.54 -0.16 0.00 -2.33 0.00 0.00 43.42 39.87 3jy9 n LEU 925 CO 0.28 -0.97 -0.53 -0.54 -1.33 0.00 0.00 177.39 174.30 3jy9 s LYS 926 N -3.12 2.22 -0.30 3.23 1.02 -0.89 -4.51 119.74 117.38 3jy9 s LYS 926 Ca 0.78 -0.74 -0.18 0.00 0.02 0.00 0.00 55.97 55.86 3jy9 s LYS 926 Cb -0.40 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3jy9 s LYS 926 CO 0.44 0.27 0.50 -1.17 -0.92 0.00 0.00 175.35 174.46 3jy9 s LEU 927 N 0.05 4.16 -0.19 3.17 2.96 0.42 -1.37 118.68 127.88 3jy9 s LEU 927 Ca -0.07 0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.98 3jy9 s LEU 927 Cb -0.13 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 3jy9 s LEU 927 CO 0.04 -0.35 0.31 -0.63 -1.32 0.00 0.00 176.35 174.39 3jy9 s ILE 928 N 2.32 5.28 0.17 6.68 -1.09 0.59 -1.04 121.20 134.11 3jy9 s ILE 928 Ca 0.19 0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3jy9 s ILE 928 Cb -0.16 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3jy9 s ILE 928 CO 0.11 0.34 0.08 -0.04 -1.23 0.00 0.00 174.94 174.19 3jy9 s MET 929 N 0.84 1.08 0.51 2.79 -1.94 0.78 -0.57 119.30 122.79 3jy9 s MET 929 Ca 0.16 -1.54 -0.23 0.00 -1.71 0.00 0.00 55.69 52.37 3jy9 s MET 929 Cb -0.14 0.15 -0.06 0.00 2.01 0.00 0.00 34.83 36.79 3jy9 s MET 929 CO 0.05 -0.29 1.31 -1.83 -0.01 0.00 0.00 175.02 174.25 3jy9 s GLU 930 N -4.07 3.38 -0.27 2.03 -1.05 -0.59 -1.22 118.70 116.91 3jy9 s GLU 930 Ca 0.30 2.13 -0.21 0.00 -0.15 0.00 0.00 54.97 57.03 3jy9 s GLU 930 Cb 0.07 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.40 3jy9 s GLU 930 CO 0.06 -0.96 0.68 -0.47 0.95 0.00 0.00 175.26 175.53 3jy9 s TYR 931 N -1.36 3.26 -0.49 4.83 5.04 -1.26 -4.22 117.35 123.15 3jy9 s TYR 931 Ca 0.68 0.82 -0.16 0.00 -2.44 0.00 0.00 57.07 55.97 3jy9 s TYR 931 Cb -0.37 -2.96 0.08 0.00 0.35 0.00 0.00 41.96 39.06 3jy9 s TYR 931 CO 0.45 -0.40 0.44 -0.51 -1.34 0.00 0.00 175.55 174.18 3jy9 s LEU 932 N 2.65 5.69 0.54 6.97 1.43 -1.26 -4.96 118.68 129.72 3jy9 s LEU 932 Ca 0.28 -1.39 0.32 0.00 -1.03 0.00 0.00 54.13 52.31 3jy9 s LEU 932 Cb -0.15 -2.21 1.43 0.00 0.03 0.00 0.00 46.19 45.29 3jy9 s LEU 932 CO 0.10 -0.71 2.02 1.55 0.23 0.00 0.00 176.35 179.53 3jy9 h PRO 933 N 8.80 0.00 -0.00 1.29 0.14 -1.84 -2.61 132.00 137.79 3jy9 h PRO 933 Ca -0.29 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.85 3jy9 h PRO 933 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.25 3jy9 h PRO 933 CO 0.92 0.08 -0.01 0.66 0.14 0.00 0.00 178.00 179.78 3jy9 n TYR 934 N -3.27 0.00 -4.41 1.56 4.01 -1.24 -5.02 117.16 108.79 3jy9 n TYR 934 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3jy9 n TYR 934 Cb 0.29 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3jy9 n TYR 934 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jy9 n GLY 935 N 1.12 -0.10 3.84 2.72 0.00 -0.99 -4.56 105.19 107.23 3jy9 n GLY 935 Ca 0.20 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3jy9 n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jy9 s SER 936 N -4.00 6.72 0.37 1.61 1.04 -1.26 -0.61 113.70 117.57 3jy9 s SER 936 Ca 0.00 1.51 0.04 0.00 0.48 0.00 0.00 55.95 57.99 3jy9 s SER 936 Cb 0.00 -2.48 0.70 0.00 0.10 0.00 0.00 66.02 64.34 3jy9 s SER 936 CO 0.00 -0.45 1.99 0.25 0.98 0.00 0.00 173.24 176.01 3jy9 h LEU 937 N 1.42 0.59 0.16 2.42 5.85 -0.26 -0.64 115.31 124.85 3jy9 h LEU 937 Ca -0.48 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3jy9 h LEU 937 Cb 1.18 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3jy9 h LEU 937 CO 0.62 0.48 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.94 3jy9 h ARG 938 N 0.67 -0.34 -0.60 1.25 2.43 -1.70 0.44 114.38 116.53 3jy9 h ARG 938 Ca 0.17 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3jy9 h ARG 938 Cb 0.02 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3jy9 h ARG 938 CO -0.03 -0.23 0.06 -0.44 -1.51 0.00 0.00 179.97 177.82 3jy9 h ASP 939 N -0.36 0.97 -0.32 -3.80 3.32 -1.78 -2.00 116.42 112.46 3jy9 h ASP 939 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3jy9 h ASP 939 Cb 0.34 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3jy9 h ASP 939 CO -0.04 1.00 0.10 0.22 -1.72 0.00 0.00 179.24 178.79 3jy9 h TYR 940 N 0.94 0.51 -0.15 4.55 3.20 -0.94 -2.31 116.97 122.77 3jy9 h TYR 940 Ca 0.18 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3jy9 h TYR 940 Cb 0.47 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3jy9 h TYR 940 CO 0.03 0.52 0.03 1.25 -1.64 0.00 0.00 178.16 178.35 3jy9 h LEU 941 N 0.36 0.23 -0.90 2.82 5.85 -0.90 -2.11 115.31 120.66 3jy9 h LEU 941 Ca 0.10 -0.25 0.21 0.00 0.84 0.00 0.00 57.88 58.79 3jy9 h LEU 941 Cb 0.25 -0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.05 3jy9 h LEU 941 CO -0.00 0.42 -0.07 1.56 -0.34 0.00 0.00 178.44 180.00 3jy9 h GLN 942 N 0.03 0.03 -0.04 1.25 4.20 -1.31 -1.89 115.11 117.37 3jy9 h GLN 942 Ca 0.05 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.54 3jy9 h GLN 942 Cb 0.28 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.07 3jy9 h GLN 942 CO 0.00 0.02 -0.83 -0.22 -0.67 0.00 0.00 178.83 177.14 3jy9 h LYS 943 N 0.03 0.64 -0.68 1.46 3.64 -1.22 -3.33 116.57 117.10 3jy9 h LYS 943 Ca 0.49 -0.63 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 3jy9 h LYS 943 Cb 0.89 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.79 3jy9 h LYS 943 CO -0.86 1.23 0.18 0.72 -2.27 0.00 0.00 179.45 178.45 3jy9 n HIS 944 N -4.00 2.32 0.00 1.91 8.25 -0.81 -5.01 115.22 117.88 3jy9 n HIS 944 Ca -0.10 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 3jy9 n HIS 944 Cb 0.77 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3jy9 n HIS 944 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3jy9 n LYS 945 N 0.06 0.00 -0.06 -0.41 5.02 -0.73 -2.99 118.16 119.06 3jy9 n LYS 945 Ca 0.37 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.69 3jy9 n LYS 945 Cb 1.33 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 36.47 3jy9 n LYS 945 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3jy9 n GLU 946 N 0.00 1.30 0.00 1.97 1.02 -1.26 -1.98 120.64 121.69 3jy9 n GLU 946 Ca 0.00 -0.46 0.09 0.00 -0.02 0.00 0.00 57.16 56.77 3jy9 n GLU 946 Cb 0.00 -1.14 0.43 0.00 -0.02 0.00 0.00 31.44 30.71 3jy9 n GLU 946 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jy9 n ARG 947 N -0.16 0.07 -3.59 3.49 1.74 -1.16 -4.33 116.66 112.72 3jy9 n ARG 947 Ca 0.06 0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.90 3jy9 n ARG 947 Cb 0.12 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 3jy9 n ARG 947 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jy9 s ILE 948 N -2.89 4.88 0.64 0.55 1.01 -0.84 -5.09 121.20 119.46 3jy9 s ILE 948 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 3jy9 s ILE 948 Cb 0.13 -3.55 0.14 0.00 0.01 0.00 0.00 42.46 39.18 3jy9 s ILE 948 CO 0.33 -0.04 0.87 -0.90 0.00 0.00 0.00 174.94 175.21 3jy9 n ASP 949 N 5.04 0.66 0.10 3.58 3.85 -1.26 -4.86 116.55 123.66 3jy9 n ASP 949 Ca -0.13 -1.68 -0.03 0.00 -0.71 0.00 0.00 54.79 52.24 3jy9 n ASP 949 Cb 0.49 -0.61 0.18 0.00 -1.35 0.00 0.00 41.12 39.82 3jy9 n ASP 949 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3jy9 h HIS 950 N -0.97 0.24 -0.35 2.11 3.86 -1.98 -1.63 115.15 116.43 3jy9 h HIS 950 Ca -0.29 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 58.79 3jy9 h HIS 950 Cb 0.93 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 3jy9 h HIS 950 CO 0.00 0.67 0.00 0.82 0.86 0.00 0.00 177.93 180.29 3jy9 h ILE 951 N 0.16 1.26 -0.43 2.45 2.04 -1.99 -1.40 117.51 119.59 3jy9 h ILE 951 Ca 0.00 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3jy9 h ILE 951 Cb 0.96 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3jy9 h ILE 951 CO 0.08 0.32 0.24 0.50 0.00 0.00 0.00 178.15 179.29 3jy9 h LYS 952 N 0.42 0.60 -0.77 2.37 1.63 -1.88 -1.48 116.57 117.46 3jy9 h LYS 952 Ca 0.10 -0.07 0.12 0.00 -0.85 0.00 0.00 60.65 59.96 3jy9 h LYS 952 Cb 0.45 -0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.88 3jy9 h LYS 952 CO 0.02 0.47 0.37 -0.07 -3.45 0.00 0.00 179.45 176.78 3jy9 h LEU 953 N 0.56 0.43 -1.33 5.20 3.38 -1.14 -1.32 115.31 121.09 3jy9 h LEU 953 Ca 0.15 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3jy9 h LEU 953 Cb 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3jy9 h LEU 953 CO -0.03 0.21 -0.28 -0.07 0.09 0.00 0.00 178.44 178.36 3jy9 h LEU 954 N 0.56 0.09 0.05 1.67 3.38 -1.08 -0.62 115.31 119.36 3jy9 h LEU 954 Ca 0.40 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 3jy9 h LEU 954 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3jy9 h LEU 954 CO -0.34 0.37 -0.02 -0.61 0.09 0.00 0.00 178.44 177.93 3jy9 h GLN 955 N 0.09 -0.06 -0.89 1.13 4.15 -0.16 -1.54 115.11 117.83 3jy9 h GLN 955 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3jy9 h GLN 955 Cb 0.54 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 3jy9 h GLN 955 CO 0.04 0.05 0.57 1.88 -1.93 0.00 0.00 178.83 179.44 3jy9 h TYR 956 N -0.17 1.14 -0.25 3.99 0.05 -1.34 -2.30 116.97 118.09 3jy9 h TYR 956 Ca -0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3jy9 h TYR 956 Cb 0.15 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3jy9 h TYR 956 CO -0.04 0.74 0.08 1.15 -1.05 0.00 0.00 178.16 179.04 3jy9 h THR 957 N 1.21 1.19 -0.10 -2.88 2.02 -0.99 0.25 112.91 113.61 3jy9 h THR 957 Ca 0.32 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3jy9 h THR 957 Cb -0.11 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 3jy9 h THR 957 CO -0.07 0.20 -0.38 -1.28 0.37 0.00 0.00 175.52 174.36 3jy9 h SER 958 N 0.25 -1.17 -0.85 4.18 0.87 -1.24 -1.20 113.55 114.39 3jy9 h SER 958 Ca 0.08 0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3jy9 h SER 958 Cb 0.22 0.48 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 3jy9 h SER 958 CO -0.00 -0.41 0.55 1.56 -0.53 0.00 0.00 176.83 178.00 3jy9 h GLN 959 N -0.47 1.04 -0.43 2.24 4.20 -1.28 -0.68 115.11 119.73 3jy9 h GLN 959 Ca 0.08 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.79 3jy9 h GLN 959 Cb 0.60 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 3jy9 h GLN 959 CO -0.36 0.69 0.11 0.82 -0.67 0.00 0.00 178.83 179.41 3jy9 h ILE 960 N 1.07 0.80 -0.32 2.54 2.04 -0.77 -2.17 117.51 120.71 3jy9 h ILE 960 Ca 0.33 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 3jy9 h ILE 960 Cb -0.02 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3jy9 h ILE 960 CO -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 178.15 178.05 3jy9 h LYS 962 N 0.49 0.49 -0.84 0.00 1.57 -0.95 -0.22 116.57 117.10 3jy9 h LYS 962 Ca 0.10 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3jy9 h LYS 962 Cb 0.37 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 3jy9 h LYS 962 CO 0.02 0.95 0.47 0.78 -0.57 0.00 0.00 179.45 181.10 3jy9 h GLY 963 N 0.10 1.24 1.02 3.86 0.00 -1.29 -1.59 103.07 106.41 3jy9 h GLY 963 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3jy9 h GLY 963 CO 0.08 0.53 0.09 -0.33 0.00 0.00 0.00 176.54 176.91 3jy9 h MET 964 N 1.16 0.94 -0.76 4.80 2.86 -1.11 -1.78 114.93 121.06 3jy9 h MET 964 Ca 0.30 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3jy9 h MET 964 Cb 0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3jy9 h MET 964 CO -0.05 0.90 0.29 1.49 1.06 0.00 0.00 176.91 180.60 3jy9 h GLU 965 N 0.84 1.14 -0.18 1.72 4.22 -0.84 -1.82 114.58 119.66 3jy9 h GLU 965 Ca 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 59.36 59.39 3jy9 h GLU 965 Cb 0.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3jy9 h GLU 965 CO 0.01 0.94 0.07 -0.92 -2.18 0.00 0.00 179.01 176.93 3jy9 h TYR 966 N 1.10 0.28 -0.61 0.92 3.20 -1.18 -2.47 116.97 118.20 3jy9 h TYR 966 Ca 0.25 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.22 3jy9 h TYR 966 Cb 0.24 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.33 3jy9 h TYR 966 CO 0.02 0.34 0.08 1.25 -1.64 0.00 0.00 178.16 178.21 3jy9 h LEU 967 N 0.13 -0.11 -1.27 2.82 5.85 -1.17 -2.57 115.31 119.01 3jy9 h LEU 967 Ca 0.06 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3jy9 h LEU 967 Cb 0.19 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3jy9 h LEU 967 CO -0.00 -0.05 0.52 1.23 -0.34 0.00 0.00 178.44 179.80 3jy9 h GLY 968 N 0.20 1.10 1.93 3.75 0.00 -1.10 -1.98 103.07 106.97 3jy9 h GLY 968 Ca 0.32 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3jy9 h GLY 968 CO -0.46 0.31 0.03 -0.91 0.00 0.00 0.00 176.54 175.51 3jy9 h THR 969 N 0.94 0.33 -0.30 4.70 1.35 -1.02 0.28 112.91 119.19 3jy9 h THR 969 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 3jy9 h THR 969 Cb 0.10 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3jy9 h THR 969 CO -0.10 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.46 3jy9 n LYS 970 N -3.56 2.05 -2.60 4.72 4.76 -0.76 -4.96 118.16 117.82 3jy9 n LYS 970 Ca -0.03 -1.60 -0.15 0.00 -2.87 0.00 0.00 58.31 53.67 3jy9 n LYS 970 Cb 0.11 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 3jy9 n LYS 970 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jy9 n ARG 971 N 0.81 -2.57 -3.71 1.97 1.74 0.97 -4.90 116.66 110.97 3jy9 n ARG 971 Ca 0.17 0.64 -0.37 0.00 -0.77 0.00 0.00 57.85 57.52 3jy9 n ARG 971 Cb 0.43 -4.91 -0.06 0.00 -1.02 0.00 0.00 32.46 26.90 3jy9 n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3jy9 s TYR 972 N -2.88 3.62 -0.30 -1.55 2.02 -1.14 -1.06 117.35 116.05 3jy9 s TYR 972 Ca 0.13 0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 57.47 3jy9 s TYR 972 Cb -0.06 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3jy9 s TYR 972 CO 0.17 0.63 0.04 0.42 -1.57 0.00 0.00 175.55 175.24 3jy9 s ILE 973 N -0.81 3.42 0.20 2.71 -1.09 0.19 -4.19 121.20 121.63 3jy9 s ILE 973 Ca 0.18 -1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 57.39 3jy9 s ILE 973 Cb -0.14 -2.87 0.12 0.00 -1.58 0.00 0.00 42.46 37.99 3jy9 s ILE 973 CO 0.07 -0.04 1.81 -0.74 -1.23 0.00 0.00 174.94 174.81 3jy9 h HIS 974 N 8.12 0.66 0.00 3.97 2.76 -1.91 -1.39 115.15 127.35 3jy9 h HIS 974 Ca -0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 3jy9 h HIS 974 Cb 1.09 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.85 3jy9 h HIS 974 CO 0.60 0.34 0.00 0.54 -1.30 0.00 0.00 177.93 178.11 3jy9 n ARG 975 N -4.78 0.00 -2.58 5.26 1.74 -1.26 -2.99 116.66 112.04 3jy9 n ARG 975 Ca 0.07 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 3jy9 n ARG 975 Cb 0.14 -2.50 0.04 0.00 -1.02 0.00 0.00 32.46 29.12 3jy9 n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3jy9 n ASP 976 N 0.00 2.63 -4.65 0.55 2.03 -1.26 -4.90 116.55 110.95 3jy9 n ASP 976 Ca 0.00 -2.61 -0.43 0.00 0.52 0.00 0.00 54.79 52.27 3jy9 n ASP 976 Cb 0.00 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 3jy9 n ASP 976 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3jy9 s LEU 977 N -3.70 4.09 -0.13 -2.67 2.96 -1.26 -4.73 118.68 113.23 3jy9 s LEU 977 Ca 0.35 1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 3jy9 s LEU 977 Cb 0.36 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.63 3jy9 s LEU 977 CO -0.02 -0.95 0.98 0.00 -1.32 0.00 0.00 176.35 175.03 3jy9 s ALA 978 N 4.11 -1.91 0.54 5.97 0.00 -1.26 -4.70 121.76 124.51 3jy9 s ALA 978 Ca 0.61 1.47 0.34 0.00 0.00 0.00 0.00 51.96 54.39 3jy9 s ALA 978 Cb -0.23 -0.45 1.90 0.00 0.00 0.00 0.00 23.12 24.34 3jy9 s ALA 978 CO 0.22 -0.39 2.23 1.79 0.00 0.00 0.00 175.76 179.61 3jy9 h THR 979 N 2.44 0.34 0.00 0.00 1.35 -1.92 -0.51 112.91 114.61 3jy9 h THR 979 Ca -0.19 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3jy9 h THR 979 Cb 1.18 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3jy9 h THR 979 CO 0.31 0.03 0.00 0.08 -0.25 0.00 0.00 175.52 175.69 3jy9 h ARG 980 N 0.00 0.00 -0.57 4.72 0.11 -1.95 -2.53 114.38 114.17 3jy9 h ARG 980 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3jy9 h ARG 980 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3jy9 h ARG 980 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3jy9 n ASN 981 N -2.99 4.39 -4.71 0.08 3.02 -0.21 -4.79 115.26 110.05 3jy9 n ASN 981 Ca 0.02 -2.43 -0.35 0.00 -0.03 0.00 0.00 54.58 51.79 3jy9 n ASN 981 Cb 0.39 -0.52 -0.09 0.00 -0.61 0.00 0.00 39.78 38.95 3jy9 n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jy9 s ILE 982 N -1.80 4.65 0.14 2.41 1.01 -1.07 -0.93 121.20 125.61 3jy9 s ILE 982 Ca 0.46 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 61.09 3jy9 s ILE 982 Cb 0.30 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3jy9 s ILE 982 CO 0.22 0.57 -0.14 -0.76 0.00 0.00 0.00 174.94 174.84 3jy9 s LEU 983 N -0.61 2.85 -0.26 2.97 1.43 0.13 0.16 118.68 125.36 3jy9 s LEU 983 Ca 0.11 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3jy9 s LEU 983 Cb -0.12 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3jy9 s LEU 983 CO 0.02 0.15 0.10 -0.69 0.23 0.00 0.00 176.35 176.17 3jy9 s VAL 984 N -1.35 4.59 -0.10 -1.59 1.01 0.22 -0.50 120.40 122.69 3jy9 s VAL 984 Ca 0.21 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3jy9 s VAL 984 Cb -0.10 -3.16 -0.28 0.00 0.00 0.00 0.00 36.38 32.84 3jy9 s VAL 984 CO 0.12 0.32 0.84 -0.08 0.00 0.00 0.00 175.10 176.30 3jy9 h GLU 985 N 8.23 0.12 0.00 2.72 4.81 -1.07 -3.30 114.58 126.09 3jy9 h GLU 985 Ca -0.37 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 3jy9 h GLU 985 Cb 1.18 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3jy9 h GLU 985 CO 0.57 1.08 0.16 0.27 -0.73 0.00 0.00 179.01 180.37 3jy9 n ASN 986 N -4.42 -2.02 -0.46 1.04 0.23 -1.14 -4.64 115.26 103.85 3jy9 n ASN 986 Ca -0.11 -2.64 0.39 0.00 -0.53 0.00 0.00 54.58 51.69 3jy9 n ASN 986 Cb 0.61 3.44 0.73 0.00 -2.08 0.00 0.00 39.78 42.47 3jy9 n ASN 986 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3jy9 h GLU 987 N 0.00 0.06 -0.24 -3.83 5.08 -2.04 -2.03 114.58 111.58 3jy9 h GLU 987 Ca -0.31 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3jy9 h GLU 987 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3jy9 h GLU 987 CO 0.40 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.54 3jy9 n ASN 988 N -4.26 2.61 -3.68 1.42 3.02 -1.26 -4.99 115.26 108.12 3jy9 n ASN 988 Ca 0.33 -1.93 -0.10 0.00 -0.03 0.00 0.00 54.58 52.85 3jy9 n ASN 988 Cb 1.46 -0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 40.37 3jy9 n ASN 988 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3jy9 s ARG 989 N -0.97 0.34 0.33 3.52 3.52 -0.76 -4.98 118.95 119.94 3jy9 s ARG 989 Ca 0.17 0.85 0.09 0.00 -0.13 0.00 0.00 55.73 56.71 3jy9 s ARG 989 Cb 0.09 0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 3jy9 s ARG 989 CO 0.12 -0.20 0.01 0.14 -0.81 0.00 0.00 175.30 174.56 3jy9 s VAL 990 N 1.88 2.75 -0.00 7.11 -7.23 -1.26 -0.44 120.40 123.21 3jy9 s VAL 990 Ca -0.06 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 3jy9 s VAL 990 Cb -0.10 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 3jy9 s VAL 990 CO -0.12 -0.23 0.07 -0.54 -0.31 0.00 0.00 175.10 173.97 3jy9 s LYS 991 N -3.71 0.33 0.04 4.82 1.02 0.35 -4.60 119.74 117.99 3jy9 s LYS 991 Ca 0.34 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 3jy9 s LYS 991 Cb -0.01 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.38 3jy9 s LYS 991 CO 0.19 -0.07 1.22 0.42 -0.92 0.00 0.00 175.35 176.19 3jy9 s ILE 992 N -1.01 4.04 0.00 2.17 -1.09 -0.32 0.22 121.20 125.20 3jy9 s ILE 992 Ca -0.11 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 3jy9 s ILE 992 Cb -0.06 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 3jy9 s ILE 992 CO 0.00 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 3jy9 n GLY 993 N 3.28 6.24 0.54 6.18 0.00 -0.10 -2.32 105.19 119.00 3jy9 n GLY 993 Ca 0.10 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3jy9 n GLY 993 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3jy9 n ASP 994 N 0.00 0.00 -0.97 1.61 -0.08 -1.26 -4.85 116.55 111.00 3jy9 n ASP 994 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 3jy9 n ASP 994 Cb 0.00 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.60 3jy9 n ASP 994 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3jy9 n PHE 995 N 0.35 0.72 -0.30 -0.67 3.72 -1.26 -4.53 117.46 115.49 3jy9 n PHE 995 Ca 0.00 -0.25 0.21 0.00 -0.05 0.00 0.00 57.45 57.35 3jy9 n PHE 995 Cb 0.00 -0.23 0.49 0.00 -0.94 0.00 0.00 39.48 38.80 3jy9 n PHE 995 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3jy9 h GLY 996 N 4.70 1.14 -1.41 1.37 0.00 -1.90 -2.18 103.07 104.77 3jy9 h GLY 996 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3jy9 h GLY 996 CO 0.17 -0.08 -0.09 1.04 0.00 0.00 0.00 176.54 177.57 3jy9 n LEU 997 N -4.59 2.44 -4.73 3.11 4.77 -1.26 -5.02 117.00 111.72 3jy9 n LEU 997 Ca 0.23 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.85 3jy9 n LEU 997 Cb 0.79 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 3jy9 n LEU 997 CO 0.27 0.43 1.24 -0.89 -1.33 0.00 0.00 177.39 177.11 3jy9 s THR 998 N -1.76 2.41 0.12 -5.08 2.01 -0.82 -4.68 115.64 107.83 3jy9 s THR 998 Ca 0.21 0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.61 3jy9 s THR 998 Cb 0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 3jy9 s THR 998 CO 0.30 0.03 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.55 3jy9 s LYS 999 N 0.62 1.80 -0.13 4.92 -0.14 -0.53 -4.95 119.74 121.35 3jy9 s LYS 999 Ca 0.68 -1.18 -0.17 0.00 -1.36 0.00 0.00 55.97 53.95 3jy9 s LYS 999 Cb -0.45 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 3jy9 s LYS 999 CO 0.36 0.48 0.41 0.08 -0.76 0.00 0.00 175.35 175.92 3jy9 s VAL 1000N -1.17 5.22 0.34 3.17 1.01 -1.26 -0.64 120.40 127.07 3jy9 s VAL 1000Ca 0.18 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 3jy9 s VAL 1000Cb -0.11 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 3jy9 s VAL 1000CO 0.10 0.35 1.45 0.18 0.00 0.00 0.00 175.10 177.19 3jy9 n LEU 1001N 3.58 4.22 -4.52 3.92 4.77 -0.22 -4.98 117.00 123.76 3jy9 n LEU 1001Ca -0.09 1.20 -0.36 0.00 -0.03 0.00 0.00 56.01 56.73 3jy9 n LEU 1001Cb 0.52 -1.56 0.08 0.00 -2.33 0.00 0.00 43.42 40.12 3jy9 n LEU 1001CO 0.42 -0.07 0.25 -2.65 -1.33 0.00 0.00 177.39 174.00 3jy9 n PRO 1002N 0.98 0.34 -0.30 3.23 -0.02 -1.26 -4.90 135.00 133.06 3jy9 n PRO 1002Ca 0.05 0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 3jy9 n PRO 1002Cb 0.37 -1.99 0.32 0.00 -0.02 0.00 0.00 33.50 32.18 3jy9 n PRO 1002CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3jy9 h GLN 1003N -0.41 0.79 -0.36 -0.52 4.15 -2.01 -3.10 115.11 113.66 3jy9 h GLN 1003Ca -0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3jy9 h GLN 1003Cb 1.34 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3jy9 h GLN 1003CO 0.44 0.52 0.00 -0.40 -1.93 0.00 0.00 178.83 177.46 3jy9 n ASP 1004N -4.58 3.31 -3.98 -0.69 3.85 -1.26 -4.99 116.55 108.21 3jy9 n ASP 1004Ca 0.18 -2.26 -0.09 0.00 -0.71 0.00 0.00 54.79 51.90 3jy9 n ASP 1004Cb 0.42 -0.34 -0.11 0.00 -1.35 0.00 0.00 41.12 39.74 3jy9 n ASP 1004CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3jy9 s LYS 1005N -1.47 0.33 -0.24 0.11 -0.14 -1.17 -5.28 119.74 111.87 3jy9 s LYS 1005Ca 0.30 -0.62 0.14 0.00 -1.36 0.00 0.00 55.97 54.43 3jy9 s LYS 1005Cb 0.19 0.12 0.76 0.00 -1.68 0.00 0.00 37.83 37.22 3jy9 s LYS 1005CO 0.15 -0.06 1.70 0.39 -0.76 0.00 0.00 175.35 176.78 3jy9 n GLU 1006N 1.54 4.38 -3.35 1.68 -0.58 -1.26 -4.32 120.64 118.73 3jy9 n GLU 1006Ca -0.24 -3.11 0.02 0.00 -0.42 0.00 0.00 57.16 53.42 3jy9 n GLU 1006Cb 0.55 -2.19 -0.02 0.00 -0.57 0.00 0.00 31.44 29.21 3jy9 n GLU 1006CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3jy9 s LYS 1009N -2.83 0.51 -0.54 3.49 2.20 -1.26 -4.37 119.74 116.93 3jy9 s LYS 1009Ca 0.53 1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 56.94 3jy9 s LYS 1009Cb 0.41 0.62 0.03 0.00 -1.51 0.00 0.00 37.83 37.38 3jy9 s LYS 1009CO 0.14 -0.38 1.04 0.08 -0.36 0.00 0.00 175.35 175.87 3jy9 s VAL 1010N 2.84 4.26 0.16 4.02 1.01 -0.07 -4.94 120.40 127.68 3jy9 s VAL 1010Ca 0.07 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 3jy9 s VAL 1010Cb -0.13 -4.59 0.04 0.00 0.00 0.00 0.00 36.38 31.70 3jy9 s VAL 1010CO -0.19 -1.14 1.64 0.11 0.00 0.00 0.00 175.10 175.52 3jy9 h LYS 1011N 9.35 0.88 -2.89 2.72 1.79 -1.96 -3.38 116.57 123.08 3jy9 h LYS 1011Ca -0.25 -0.24 -0.61 0.00 -2.18 0.00 0.00 60.65 57.37 3jy9 h LYS 1011Cb 1.07 -0.10 -0.40 0.00 -1.58 0.00 0.00 32.23 31.22 3jy9 h LYS 1011CO 1.12 0.87 -0.75 -1.21 -1.08 0.00 0.00 179.45 178.40 3jy9 s GLU 1012N -5.17 1.46 0.52 3.15 2.02 -1.26 -5.11 118.70 114.31 3jy9 s GLU 1012Ca -0.13 -2.30 -0.22 0.00 0.02 0.00 0.00 54.97 52.34 3jy9 s GLU 1012Cb 0.12 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.91 3jy9 s GLU 1012CO 0.81 -1.23 1.31 -2.14 0.02 0.00 0.00 175.26 174.04 3jy9 s PRO 1013N -0.08 3.31 0.00 0.39 0.02 -1.26 -5.03 135.00 132.35 3jy9 s PRO 1013Ca 0.22 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3jy9 s PRO 1013Cb -0.15 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3jy9 s PRO 1013CO -0.07 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 3jy9 n GLY 1014N 0.65 1.52 3.71 0.52 0.00 -1.26 -5.03 105.19 105.30 3jy9 n GLY 1014Ca 0.09 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3jy9 n GLY 1014CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jy9 s GLU 1015N 4.03 4.47 -0.03 1.61 2.12 -1.26 -5.02 118.70 124.61 3jy9 s GLU 1015Ca 0.00 1.62 0.03 0.00 0.36 0.00 0.00 54.97 56.99 3jy9 s GLU 1015Cb 0.00 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3jy9 s GLU 1015CO 0.00 -0.20 -0.13 -1.12 -0.54 0.00 0.00 175.26 173.28 3jy9 s SER 1016N 1.07 1.66 -1.39 -1.70 0.01 -1.26 -5.05 113.70 107.05 3jy9 s SER 1016Ca 0.56 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.42 3jy9 s SER 1016Cb -0.26 -0.46 0.08 0.00 0.21 0.00 0.00 66.02 65.60 3jy9 s SER 1016CO 0.28 0.11 2.08 -0.81 0.41 0.00 0.00 173.24 175.31 3jy9 n PRO 1017N 3.23 3.12 -0.29 12.44 -0.04 -1.26 -4.79 135.00 147.41 3jy9 n PRO 1017Ca -0.18 -2.94 0.22 0.00 -0.04 0.00 0.00 63.50 60.55 3jy9 n PRO 1017Cb 0.54 -3.18 0.52 0.00 -0.04 0.00 0.00 33.50 31.34 3jy9 n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3jy9 h ILE 1018N 3.99 0.58 0.00 0.52 3.07 -1.96 -0.87 117.51 122.84 3jy9 h ILE 1018Ca 0.51 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.78 3jy9 h ILE 1018Cb 0.65 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.36 3jy9 h ILE 1018CO 1.78 0.07 0.00 0.49 -1.05 0.00 0.00 178.15 179.44 3jy9 n PHE 1019N -4.56 0.00 0.50 0.16 3.01 -1.26 -1.81 117.46 113.50 3jy9 n PHE 1019Ca 0.23 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.75 3jy9 n PHE 1019Cb 0.82 -0.40 0.06 0.00 -0.01 0.00 0.00 39.48 39.95 3jy9 n PHE 1019CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3jy9 n TRP 1020N -1.40 0.02 -3.19 1.38 8.01 -0.34 -4.85 117.44 117.07 3jy9 n TRP 1020Ca 0.05 -0.02 -0.39 0.00 -1.31 0.00 0.00 57.50 55.83 3jy9 n TRP 1020Cb 0.15 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.39 3jy9 n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3jy9 s TYR 1021N -1.06 3.77 0.69 -5.99 1.51 -0.75 -3.80 117.35 111.71 3jy9 s TYR 1021Ca 0.15 1.31 -0.16 0.00 -1.01 0.00 0.00 57.07 57.37 3jy9 s TYR 1021Cb 0.11 -2.59 0.02 0.00 -0.11 0.00 0.00 41.96 39.38 3jy9 s TYR 1021CO 0.16 0.48 1.18 0.00 -1.11 0.00 0.00 175.55 176.26 3jy9 s ALA 1022N -0.73 2.29 0.35 3.71 0.00 -1.26 -4.83 121.76 121.28 3jy9 s ALA 1022Ca 0.31 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.16 3jy9 s ALA 1022Cb -0.20 -3.43 0.74 0.00 0.00 0.00 0.00 23.12 20.24 3jy9 s ALA 1022CO 0.20 -1.59 1.89 -1.35 0.00 0.00 0.00 175.76 174.91 3jy9 h PRO 1023N 0.01 0.75 0.00 0.00 0.11 -1.95 -1.06 132.00 129.87 3jy9 h PRO 1023Ca -0.48 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3jy9 h PRO 1023Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3jy9 h PRO 1023CO 0.52 0.50 -0.27 1.05 -0.21 0.00 0.00 178.00 179.58 3jy9 h GLU 1024N 0.77 0.00 -0.14 1.05 9.09 -1.92 0.02 114.58 123.45 3jy9 h GLU 1024Ca 0.41 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.59 3jy9 h GLU 1024Cb 0.52 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.63 3jy9 h GLU 1024CO -0.17 0.27 -0.80 0.77 0.05 0.00 0.00 179.01 179.13 3jy9 h SER 1025N 0.00 0.95 -0.27 3.06 0.02 -1.27 -0.30 113.55 115.74 3jy9 h SER 1025Ca -0.00 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 3jy9 h SER 1025Cb 0.78 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3jy9 h SER 1025CO 0.04 1.44 0.07 -0.07 -1.14 0.00 0.00 176.83 177.17 3jy9 h LEU 1026N 0.53 0.40 0.03 5.07 3.38 -0.85 -1.33 115.31 122.54 3jy9 h LEU 1026Ca -0.06 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 3jy9 h LEU 1026Cb 1.43 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.09 3jy9 h LEU 1026CO 0.16 0.51 -0.66 0.71 0.09 0.00 0.00 178.44 179.25 3jy9 h THR 1027N 0.27 1.44 0.00 0.22 1.35 -1.04 -3.40 112.91 111.74 3jy9 h THR 1027Ca 0.09 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 3jy9 h THR 1027Cb 0.26 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3jy9 h THR 1027CO -0.00 0.63 0.00 -0.62 -0.25 0.00 0.00 175.52 175.28 3jy9 n GLU 1028N -4.19 0.10 -2.71 4.72 1.02 -0.17 -5.01 120.64 114.40 3jy9 n GLU 1028Ca -0.11 -0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 56.50 3jy9 n GLU 1028Cb 0.71 -0.84 0.02 0.00 -0.02 0.00 0.00 31.44 31.31 3jy9 n GLU 1028CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3jy9 n SER 1029N -0.12 -5.19 -4.71 1.62 2.88 -0.50 -4.76 113.62 102.85 3jy9 n SER 1029Ca 0.00 -0.17 -0.36 0.00 -1.33 0.00 0.00 58.87 57.01 3jy9 n SER 1029Cb 0.04 -4.10 -0.08 0.00 -0.75 0.00 0.00 64.21 59.32 3jy9 n SER 1029CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3jy9 s LYS 1030N -5.29 4.20 -0.03 -1.46 1.02 -1.18 -0.90 119.74 116.10 3jy9 s LYS 1030Ca 0.18 -0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.18 3jy9 s LYS 1030Cb -0.08 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3jy9 s LYS 1030CO 0.22 0.19 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.56 3jy9 s PHE 1031N 0.66 2.01 0.29 3.18 0.40 -1.26 -3.62 117.98 119.64 3jy9 s PHE 1031Ca 0.13 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 3jy9 s PHE 1031Cb -0.13 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.09 3jy9 s PHE 1031CO 0.03 -0.11 0.54 -1.54 0.70 0.00 0.00 175.22 174.84 3jy9 s SER 1032N -0.29 0.09 0.32 1.36 1.04 -1.26 -4.80 113.70 110.15 3jy9 s SER 1032Ca 0.02 -1.02 0.08 0.00 0.48 0.00 0.00 55.95 55.51 3jy9 s SER 1032Cb -0.10 0.65 0.79 0.00 0.10 0.00 0.00 66.02 67.46 3jy9 s SER 1032CO 0.01 -1.26 1.78 0.58 0.98 0.00 0.00 173.24 175.33 3jy9 h VAL 1033N 2.17 0.68 -0.15 5.02 2.07 -1.91 -1.15 116.25 122.98 3jy9 h VAL 1033Ca -0.26 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 3jy9 h VAL 1033Cb 1.25 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3jy9 h VAL 1033CO 0.35 0.13 -0.38 0.00 0.02 0.00 0.00 177.57 177.69 3jy9 h ALA 1034N 1.65 1.08 -0.15 1.67 0.00 -1.91 -0.95 119.26 120.66 3jy9 h ALA 1034Ca 0.58 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3jy9 h ALA 1034Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3jy9 h ALA 1034CO -0.38 0.59 -0.58 0.66 0.00 0.00 0.00 179.25 179.54 3jy9 h SER 1035N 0.27 0.54 -1.01 0.00 4.64 -1.61 -2.18 113.55 114.20 3jy9 h SER 1035Ca 0.03 -0.30 0.11 0.00 -0.47 0.00 0.00 61.79 61.16 3jy9 h SER 1035Cb 0.79 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.65 3jy9 h SER 1035CO 0.06 1.00 0.64 0.44 -0.87 0.00 0.00 176.83 178.10 3jy9 h ASP 1036N 0.36 0.95 -0.52 4.97 3.32 -0.96 -1.10 116.42 123.44 3jy9 h ASP 1036Ca 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3jy9 h ASP 1036Cb 1.12 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3jy9 h ASP 1036CO 0.10 0.52 -0.01 0.58 -1.72 0.00 0.00 179.24 178.71 3jy9 h VAL 1037N 1.02 1.26 0.02 -1.35 2.07 -0.92 0.00 116.25 118.37 3jy9 h VAL 1037Ca 0.49 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3jy9 h VAL 1037Cb 0.45 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3jy9 h VAL 1037CO -0.25 0.39 -0.19 -0.25 0.02 0.00 0.00 177.57 177.29 3jy9 h TRP 1038N 0.79 -0.51 -0.81 1.57 2.91 -0.77 -1.92 115.95 117.21 3jy9 h TRP 1038Ca 0.15 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.30 3jy9 h TRP 1038Cb 0.54 0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 29.36 3jy9 h TRP 1038CO 0.04 -0.28 0.53 0.77 -1.03 0.00 0.00 178.44 178.47 3jy9 h SER 1039N -0.32 0.58 -0.91 2.65 0.02 -1.05 -1.28 113.55 113.23 3jy9 h SER 1039Ca 0.05 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3jy9 h SER 1039Cb 0.39 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 3jy9 h SER 1039CO -0.17 0.32 0.59 0.15 -1.14 0.00 0.00 176.83 176.59 3jy9 h PHE 1040N 0.63 1.10 -0.77 3.45 3.57 -0.30 -0.61 116.94 124.00 3jy9 h PHE 1040Ca 0.39 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.96 3jy9 h PHE 1040Cb 0.64 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3jy9 h PHE 1040CO -0.00 0.63 0.48 0.78 -2.23 0.00 0.00 178.31 177.97 3jy9 h GLY 1041N 1.13 1.14 1.02 2.40 0.00 -0.50 0.26 103.07 108.51 3jy9 h GLY 1041Ca 0.36 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3jy9 h GLY 1041CO -0.11 0.27 -0.05 -2.08 0.00 0.00 0.00 176.54 174.57 3jy9 h VAL 1042N 0.91 1.27 -0.57 4.60 2.07 -1.15 -1.55 116.25 121.82 3jy9 h VAL 1042Ca 0.32 -1.15 0.12 0.00 0.82 0.00 0.00 66.70 66.81 3jy9 h VAL 1042Cb 0.08 1.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 3jy9 h VAL 1042CO -0.14 0.40 -0.06 0.58 0.02 0.00 0.00 177.57 178.37 3jy9 h VAL 1043N 0.73 0.48 -0.49 2.57 2.07 -0.51 0.15 116.25 121.26 3jy9 h VAL 1043Ca 0.13 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 3jy9 h VAL 1043Cb 0.58 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3jy9 h VAL 1043CO 0.03 0.01 0.04 0.25 0.02 0.00 0.00 177.57 177.93 3jy9 h LEU 1044N 0.06 0.74 0.04 2.57 5.85 -0.70 -0.41 115.31 123.47 3jy9 h LEU 1044Ca 0.29 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3jy9 h LEU 1044Cb 0.45 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3jy9 h LEU 1044CO -0.54 0.78 -0.11 0.22 -0.34 0.00 0.00 178.44 178.46 3jy9 h TYR 1045N 0.74 -0.27 -0.57 1.25 3.20 -0.82 -2.08 116.97 118.42 3jy9 h TYR 1045Ca 0.15 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.14 3jy9 h TYR 1045Cb 0.39 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.67 3jy9 h TYR 1045CO 0.02 -0.16 -0.07 0.93 -1.64 0.00 0.00 178.16 177.24 3jy9 h GLU 1046N -0.21 0.05 0.34 1.82 5.08 0.16 -2.34 114.58 119.49 3jy9 h GLU 1046Ca 0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3jy9 h GLU 1046Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3jy9 h GLU 1046CO -0.08 0.04 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.74 3jy9 h LEU 1047N 0.05 -0.39 0.00 1.33 3.38 -0.95 -2.72 115.31 116.02 3jy9 h LEU 1047Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3jy9 h LEU 1047Cb 0.45 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3jy9 h LEU 1047CO -0.53 -0.26 0.00 0.49 0.09 0.00 0.00 178.44 178.22 3jy9 n PHE 1048N -5.28 0.00 1.04 1.13 3.01 -0.80 -0.85 117.46 115.71 3jy9 n PHE 1048Ca -0.10 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.47 3jy9 n PHE 1048Cb 0.20 -0.12 0.08 0.00 -0.01 0.00 0.00 39.48 39.63 3jy9 n PHE 1048CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3jy9 n THR 1049N -1.12 0.00 -2.45 4.37 -2.24 -0.91 -4.68 114.28 107.25 3jy9 n THR 1049Ca 0.11 -0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 3jy9 n THR 1049Cb 0.09 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 3jy9 n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3jy9 n TYR 1050N 0.30 -1.23 -2.49 4.78 4.02 -0.03 -2.03 117.16 120.48 3jy9 n TYR 1050Ca 0.11 0.02 -0.21 0.00 -0.01 0.00 0.00 57.90 57.82 3jy9 n TYR 1050Cb 0.49 -3.44 -0.00 0.00 -0.02 0.00 0.00 39.34 36.37 3jy9 n TYR 1050CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3jy9 n ILE 1051N -3.75 -1.13 -1.87 -0.72 2.08 -1.18 -4.46 119.36 108.33 3jy9 n ILE 1051Ca -0.20 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.69 3jy9 n ILE 1051Cb 0.65 -3.00 -0.03 0.00 -0.75 0.00 0.00 39.64 36.51 3jy9 n ILE 1051CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3jy9 s GLU 1052N -5.12 4.17 0.21 0.38 2.12 -0.86 -4.90 118.70 114.70 3jy9 s GLU 1052Ca 0.05 2.38 -0.09 0.00 0.36 0.00 0.00 54.97 57.67 3jy9 s GLU 1052Cb -0.02 -3.93 0.26 0.00 0.26 0.00 0.00 34.13 30.70 3jy9 s GLU 1052CO 0.06 -0.85 1.79 1.57 -0.54 0.00 0.00 175.26 177.29 3jy9 h LYS 1053N 9.53 0.59 0.00 4.30 2.10 -1.92 -0.80 116.57 130.37 3jy9 h LYS 1053Ca -0.44 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3jy9 h LYS 1053Cb 1.20 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3jy9 h LYS 1053CO 0.94 0.39 0.00 -1.13 -2.00 0.00 0.00 179.45 177.66 3jy9 n SER 1054N -4.84 0.00 -0.11 7.07 3.41 -1.26 -2.44 113.62 115.44 3jy9 n SER 1054Ca 0.09 0.08 0.01 0.00 -0.26 0.00 0.00 58.87 58.79 3jy9 n SER 1054Cb 0.21 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3jy9 n SER 1054CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jy9 n LYS 1055N -1.25 0.17 -1.18 4.33 4.76 -0.32 -4.62 118.16 120.04 3jy9 n LYS 1055Ca 0.05 -0.87 -0.35 0.00 -2.87 0.00 0.00 58.31 54.27 3jy9 n LYS 1055Cb 0.08 -1.05 0.08 0.00 -1.84 0.00 0.00 35.03 32.30 3jy9 n LYS 1055CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3jy9 n SER 1056N 0.06 -1.06 -0.13 4.39 3.41 -1.02 -4.67 113.62 114.59 3jy9 n SER 1056Ca 0.02 0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 59.14 3jy9 n SER 1056Cb 0.12 -1.25 0.04 0.00 -0.26 0.00 0.00 64.21 62.86 3jy9 n SER 1056CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3jy9 h PRO 1057N -0.60 0.22 -0.78 4.33 0.11 -1.93 -2.15 132.00 131.20 3jy9 h PRO 1057Ca -0.45 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 3jy9 h PRO 1057Cb 1.33 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 3jy9 h PRO 1057CO 0.42 0.15 0.45 -1.35 -0.21 0.00 0.00 178.00 177.45 3jy9 h PRO 1058N 0.23 0.77 -0.32 1.05 0.11 -1.91 -1.58 132.00 130.34 3jy9 h PRO 1058Ca 0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3jy9 h PRO 1058Cb 0.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3jy9 h PRO 1058CO -0.27 0.51 0.12 0.00 -0.21 0.00 0.00 178.00 178.14 3jy9 h ALA 1059N 1.41 0.42 -0.07 -0.75 0.00 -1.79 -0.75 119.26 117.74 3jy9 h ALA 1059Ca 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3jy9 h ALA 1059Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jy9 h ALA 1059CO -0.21 0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.00 3jy9 h GLU 1060N 0.37 0.13 -0.78 0.00 4.39 -1.32 -2.11 114.58 115.26 3jy9 h GLU 1060Ca 0.11 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3jy9 h GLU 1060Cb 0.21 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3jy9 h GLU 1060CO -0.01 0.39 0.37 0.74 -1.16 0.00 0.00 179.01 179.34 3jy9 h PHE 1061N -0.15 1.13 -0.91 4.33 0.04 -1.31 -1.40 116.94 118.68 3jy9 h PHE 1061Ca 0.02 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3jy9 h PHE 1061Cb 0.33 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.08 3jy9 h PHE 1061CO 0.03 0.83 0.57 0.52 -0.60 0.00 0.00 178.31 179.66 3jy9 h MET 1062N 1.11 1.22 -0.36 1.51 2.86 -1.06 0.13 114.93 120.33 3jy9 h MET 1062Ca 0.27 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3jy9 h MET 1062Cb 0.13 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3jy9 h MET 1062CO -0.03 0.83 -0.27 -0.09 1.06 0.00 0.00 176.91 178.41 3jy9 h ARG 1063N 1.24 0.76 -0.45 1.72 2.43 -1.06 0.22 114.38 119.23 3jy9 h ARG 1063Ca 0.33 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3jy9 h ARG 1063Cb -0.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3jy9 h ARG 1063CO -0.07 0.94 -0.16 0.52 -1.51 0.00 0.00 179.97 179.70 3jy9 h MET 1064N 0.65 0.87 0.00 0.20 2.86 -0.63 -3.11 114.93 115.77 3jy9 h MET 1064Ca 0.08 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3jy9 h MET 1064Cb 0.79 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3jy9 h MET 1064CO 0.07 0.96 -0.76 -0.84 1.06 0.00 0.00 176.91 177.40 3jy9 h ILE 1065N 0.77 0.00 0.00 -1.22 3.07 -0.85 -3.50 117.51 115.77 3jy9 h ILE 1065Ca 0.11 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3jy9 h ILE 1065Cb 0.69 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3jy9 h ILE 1065CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 3jy9 n GLY 1066N 1.30 2.23 0.00 0.16 0.00 0.74 -4.80 105.19 104.82 3jy9 n GLY 1066Ca 0.02 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.68 3jy9 n GLY 1066CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jy9 n ASN 1067N 0.00 0.00 -0.05 1.61 4.13 -1.20 -2.29 115.26 117.46 3jy9 n ASN 1067Ca 0.00 -0.17 0.14 0.00 1.68 0.00 0.00 54.58 56.23 3jy9 n ASN 1067Cb 0.00 -0.26 0.66 0.00 -1.54 0.00 0.00 39.78 38.64 3jy9 n ASN 1067CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3jy9 n ASP 1068N -1.26 0.24 -4.75 6.41 5.75 -1.26 -4.86 116.55 116.82 3jy9 n ASP 1068Ca 0.13 -0.32 -0.40 0.00 -0.01 0.00 0.00 54.79 54.19 3jy9 n ASP 1068Cb 0.20 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 3jy9 n ASP 1068CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jy9 s LYS 1069N -2.56 4.78 0.03 0.11 -0.14 -0.97 -5.04 119.74 115.94 3jy9 s LYS 1069Ca 0.27 1.54 0.02 0.00 -1.36 0.00 0.00 55.97 56.44 3jy9 s LYS 1069Cb 0.20 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 33.04 3jy9 s LYS 1069CO 0.48 0.38 -0.06 -0.65 -0.76 0.00 0.00 175.35 174.74 3jy9 s GLN 1070N -0.90 0.45 5.36 1.68 -0.21 -1.26 -4.72 119.66 120.05 3jy9 s GLN 1070Ca 0.43 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.15 3jy9 s GLN 1070Cb -0.26 -0.20 0.00 0.00 1.00 0.00 0.00 33.01 33.55 3jy9 s GLN 1070CO 0.33 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 3jy9 n GLY 1071N 1.65 2.29 0.23 3.09 0.00 -1.26 -2.18 105.19 109.02 3jy9 n GLY 1071Ca -0.22 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 45.47 3jy9 n GLY 1071CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3jy9 h GLN 1072N 0.00 0.00 -0.52 1.61 3.07 -2.02 -2.14 115.11 115.11 3jy9 h GLN 1072Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 3jy9 h GLN 1072Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 3jy9 h GLN 1072CO 0.00 0.00 0.29 0.52 0.09 0.00 0.00 178.83 179.73 3jy9 h MET 1073N 0.00 0.71 -0.35 0.06 2.86 -1.84 -2.29 114.93 114.08 3jy9 h MET 1073Ca 0.00 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3jy9 h MET 1073Cb 0.18 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 31.61 3jy9 h MET 1073CO 0.00 0.52 -0.29 0.82 1.06 0.00 0.00 176.91 179.02 3jy9 h ILE 1074N 0.72 0.28 0.09 -1.22 2.04 -1.48 -0.27 117.51 117.67 3jy9 h ILE 1074Ca 0.19 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 3jy9 h ILE 1074Cb 0.01 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3jy9 h ILE 1074CO -0.03 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.66 3jy9 h VAL 1075N -0.25 0.96 -0.53 1.67 2.07 -1.60 0.19 116.25 118.76 3jy9 h VAL 1075Ca 0.16 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.63 3jy9 h VAL 1075Cb 0.51 1.05 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 3jy9 h VAL 1075CO -0.49 0.04 -0.35 0.15 0.02 0.00 0.00 177.57 176.94 3jy9 h PHE 1076N -0.18 -0.99 -0.19 1.57 3.04 -1.35 -0.10 116.94 118.75 3jy9 h PHE 1076Ca -0.01 0.07 -0.12 0.00 3.98 0.00 0.00 57.97 61.89 3jy9 h PHE 1076Cb 0.15 0.51 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 3jy9 h PHE 1076CO -0.05 -0.39 -0.39 0.45 -2.02 0.00 0.00 178.31 175.91 3jy9 h HIS 1077N -0.20 0.49 -0.59 0.41 3.86 -0.88 -2.63 115.15 115.60 3jy9 h HIS 1077Ca 0.20 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 3jy9 h HIS 1077Cb 0.55 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 3jy9 h HIS 1077CO -0.62 0.75 0.11 1.25 0.86 0.00 0.00 177.93 180.28 3jy9 h LEU 1078N 0.35 0.88 -0.03 2.43 5.85 -0.25 0.41 115.31 124.95 3jy9 h LEU 1078Ca 0.03 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3jy9 h LEU 1078Cb 0.84 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3jy9 h LEU 1078CO 0.07 0.88 0.02 0.40 -0.34 0.00 0.00 178.44 179.46 3jy9 h ILE 1079N 0.89 1.10 -0.95 4.05 2.04 -0.79 -2.09 117.51 121.76 3jy9 h ILE 1079Ca 0.19 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3jy9 h ILE 1079Cb 0.36 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3jy9 h ILE 1079CO 0.01 0.08 0.58 -0.33 0.00 0.00 0.00 178.15 178.48 3jy9 h GLU 1080N -0.07 1.30 -0.10 2.37 4.39 -1.34 -1.29 114.58 119.85 3jy9 h GLU 1080Ca 0.01 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3jy9 h GLU 1080Cb 0.12 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3jy9 h GLU 1080CO -0.00 0.90 0.03 1.25 -1.16 0.00 0.00 179.01 180.04 3jy9 h LEU 1081N 1.32 0.14 -0.92 1.33 5.85 -0.64 -2.25 115.31 120.14 3jy9 h LEU 1081Ca 0.34 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3jy9 h LEU 1081Cb -0.06 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3jy9 h LEU 1081CO -0.06 0.29 0.44 -0.07 -0.34 0.00 0.00 178.44 178.70 3jy9 h LEU 1082N -0.02 1.09 -1.89 2.25 3.38 -1.21 -0.30 115.31 118.60 3jy9 h LEU 1082Ca 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3jy9 h LEU 1082Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3jy9 h LEU 1082CO -0.00 0.90 -0.03 0.11 0.09 0.00 0.00 178.44 179.50 3jy9 h LYS 1083N 1.20 0.03 -0.91 1.13 1.57 -1.05 -2.59 116.57 115.94 3jy9 h LYS 1083Ca 0.30 -0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.63 3jy9 h LYS 1083Cb 0.07 -0.01 -0.26 0.00 0.08 0.00 0.00 32.23 32.11 3jy9 h LYS 1083CO -0.04 0.06 0.54 0.09 -0.57 0.00 0.00 179.45 179.53 3jy9 n ASN 1084N -4.49 3.86 -0.29 0.86 4.13 -0.68 -4.94 115.26 113.72 3jy9 n ASN 1084Ca -0.03 -3.55 -0.04 0.00 1.68 0.00 0.00 54.58 52.64 3jy9 n ASN 1084Cb 0.13 -0.81 -0.02 0.00 -1.54 0.00 0.00 39.78 37.54 3jy9 n ASN 1084CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3jy9 n ASN 1085N -0.97 -4.56 -4.71 6.41 5.03 -0.98 -4.98 115.26 110.50 3jy9 n ASN 1085Ca 0.55 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.67 3jy9 n ASN 1085Cb 1.59 -2.40 -0.03 0.00 -1.02 0.00 0.00 39.78 37.92 3jy9 n ASN 1085CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3jy9 s GLY 1086N -2.29 1.48 0.08 7.41 0.00 -0.21 -4.99 107.32 108.80 3jy9 s GLY 1086Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.11 3jy9 s GLY 1086CO 0.00 2.78 -0.05 0.50 0.00 0.00 0.00 173.10 176.33 3jy9 s ARG 1087N 1.63 0.75 0.59 2.90 1.81 -1.26 -4.33 118.95 121.03 3jy9 s ARG 1087Ca 0.73 -1.28 -0.20 0.00 -1.72 0.00 0.00 55.73 53.26 3jy9 s ARG 1087Cb -0.44 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 33.97 3jy9 s ARG 1087CO 0.32 -0.05 1.32 -0.51 -0.68 0.00 0.00 175.30 175.71 3jy9 s LEU 1088N -2.96 3.74 0.85 2.53 1.43 -1.26 -5.03 118.68 117.98 3jy9 s LEU 1088Ca 0.10 2.69 -0.13 0.00 -1.03 0.00 0.00 54.13 55.76 3jy9 s LEU 1088Cb 0.06 -4.42 0.12 0.00 0.03 0.00 0.00 46.19 41.98 3jy9 s LEU 1088CO -0.06 -1.73 1.21 -2.16 0.23 0.00 0.00 176.35 173.83 3jy9 s PRO 1089N -3.10 1.54 0.06 1.29 0.04 -1.26 -5.00 135.00 128.57 3jy9 s PRO 1089Ca 0.76 -0.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.37 3jy9 s PRO 1089Cb -0.39 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3jy9 s PRO 1089CO 0.44 -1.83 1.29 0.50 0.04 0.00 0.00 177.00 177.43 3jy9 s ARG 1090N -5.64 4.37 0.46 4.56 3.52 -1.26 -4.98 118.95 119.97 3jy9 s ARG 1090Ca 0.66 1.88 -0.23 0.00 -0.13 0.00 0.00 55.73 57.91 3jy9 s ARG 1090Cb -0.08 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.86 3jy9 s ARG 1090CO 0.50 -0.37 1.19 -2.14 -0.81 0.00 0.00 175.30 173.67 3jy9 s PRO 1091N 1.37 3.74 -0.41 5.12 0.02 -1.26 -4.89 135.00 138.68 3jy9 s PRO 1091Ca 0.61 1.85 -0.43 0.00 0.02 0.00 0.00 61.00 63.05 3jy9 s PRO 1091Cb -0.32 -2.44 -0.18 0.00 0.02 0.00 0.00 34.50 31.59 3jy9 s PRO 1091CO 0.29 -0.59 1.80 -3.47 -0.33 0.00 0.00 177.00 174.70 3jy9 n ASP 1092N -0.44 1.62 0.00 2.53 2.03 -1.26 -0.93 116.55 120.10 3jy9 n ASP 1092Ca 0.07 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.37 3jy9 n ASP 1092Cb 0.47 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 3jy9 n ASP 1092CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jy9 n GLY 1093N 4.93 0.81 3.70 0.27 0.00 -1.26 -4.94 105.19 108.69 3jy9 n GLY 1093Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 3jy9 n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jy9 s PRO 1095N 2.15 2.34 0.18 0.00 0.02 -1.26 -4.84 135.00 133.59 3jy9 s PRO 1095Ca 0.67 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 63.59 3jy9 s PRO 1095Cb -0.35 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.41 3jy9 s PRO 1095CO 0.29 -1.74 1.55 -0.44 -0.33 0.00 0.00 177.00 176.33 3jy9 h ASP 1096N 0.19 0.89 0.53 2.53 5.19 -1.99 -2.09 116.42 121.66 3jy9 h ASP 1096Ca -0.50 -0.37 -0.06 0.00 -0.62 0.00 0.00 57.03 55.48 3jy9 h ASP 1096Cb 1.32 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 3jy9 h ASP 1096CO 0.51 1.13 -0.27 -0.08 -3.12 0.00 0.00 179.24 177.41 3jy9 h GLU 1097N 0.71 0.00 0.15 3.56 4.81 -2.00 -1.41 114.58 120.40 3jy9 h GLU 1097Ca 0.07 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.02 3jy9 h GLU 1097Cb 0.88 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.27 3jy9 h GLU 1097CO 0.08 0.27 -1.28 0.82 -0.73 0.00 0.00 179.01 178.17 3jy9 h ILE 1098N 0.00 1.41 -0.24 2.32 5.03 -1.76 -3.14 117.51 121.13 3jy9 h ILE 1098Ca -0.00 -2.85 -0.06 0.00 -0.12 0.00 0.00 64.86 61.83 3jy9 h ILE 1098Cb 0.61 2.89 -0.01 0.00 -3.03 0.00 0.00 36.82 37.28 3jy9 h ILE 1098CO 0.04 0.84 -0.12 0.22 -0.68 0.00 0.00 178.15 178.45 3jy9 h TYR 1099N 0.13 0.42 -0.72 1.37 3.20 -1.23 -2.40 116.97 117.74 3jy9 h TYR 1099Ca -0.17 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.68 3jy9 h TYR 1099Cb 1.98 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 40.09 3jy9 h TYR 1099CO 0.09 0.51 0.47 0.52 -1.64 0.00 0.00 178.16 178.11 3jy9 h MET 1100N 0.37 0.84 -0.21 1.82 2.86 -1.27 -2.22 114.93 117.12 3jy9 h MET 1100Ca 0.07 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3jy9 h MET 1100Cb 0.44 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3jy9 h MET 1100CO 0.03 0.56 -0.07 0.82 1.06 0.00 0.00 176.91 179.30 3jy9 h ILE 1101N 0.87 1.30 -0.40 -1.22 2.04 -1.39 -1.37 117.51 117.34 3jy9 h ILE 1101Ca 0.29 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 65.13 3jy9 h ILE 1101Cb 0.06 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 3jy9 h ILE 1101CO -0.08 0.33 -0.01 0.24 0.00 0.00 0.00 178.15 178.64 3jy9 h MET 1102N 0.13 0.09 -0.28 2.37 2.86 -1.20 -1.16 114.93 117.75 3jy9 h MET 1102Ca 0.05 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3jy9 h MET 1102Cb 0.54 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3jy9 h MET 1102CO 0.02 0.06 -0.24 1.79 1.06 0.00 0.00 176.91 179.61 3jy9 h THR 1103N 0.10 1.27 -0.73 2.22 1.35 -1.19 -1.70 112.91 114.22 3jy9 h THR 1103Ca 0.19 -1.27 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 3jy9 h THR 1103Cb 0.28 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 3jy9 h THR 1103CO -0.33 0.41 0.30 -0.08 -0.25 0.00 0.00 175.52 175.57 3jy9 h GLU 1104N 0.47 1.08 -0.00 4.72 4.81 -0.73 -2.30 114.58 122.63 3jy9 h GLU 1104Ca 0.07 -0.18 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 3jy9 h GLU 1104Cb 0.67 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3jy9 h GLU 1104CO 0.05 0.87 -0.56 0.00 -0.73 0.00 0.00 179.01 178.64 3jy9 n TRP 1106N -3.87 1.25 -2.92 0.00 8.01 -0.70 -4.14 117.44 115.06 3jy9 n TRP 1106Ca -0.01 -1.79 -0.41 0.00 -1.31 0.00 0.00 57.50 53.98 3jy9 n TRP 1106Cb 0.57 -0.93 -0.04 0.00 -2.01 0.00 0.00 31.31 28.90 3jy9 n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3jy9 s ASN 1107N 0.54 7.08 0.52 -0.99 3.04 -1.20 -4.95 114.94 118.98 3jy9 s ASN 1107Ca 0.29 1.30 0.29 0.00 0.04 0.00 0.00 52.86 54.78 3jy9 s ASN 1107Cb 0.21 -2.46 1.42 0.00 -1.54 0.00 0.00 41.25 38.89 3jy9 s ASN 1107CO -0.02 -0.22 1.92 0.78 -3.04 0.00 0.00 177.10 176.52 3jy9 h ASN 1108N 6.90 0.04 -3.03 -4.21 -0.26 -1.92 -3.39 115.58 109.70 3jy9 h ASN 1108Ca -0.38 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 54.73 3jy9 h ASN 1108Cb 1.19 -0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 38.30 3jy9 h ASN 1108CO 0.77 0.02 0.45 0.21 -1.06 0.00 0.00 177.43 177.82 3jy9 s ASN 1109N -5.79 6.26 0.30 5.81 3.84 -1.26 -4.92 114.94 119.18 3jy9 s ASN 1109Ca -0.05 -0.68 0.04 0.00 0.21 0.00 0.00 52.86 52.38 3jy9 s ASN 1109Cb 0.21 -2.40 0.79 0.00 -0.55 0.00 0.00 41.25 39.30 3jy9 s ASN 1109CO 0.76 -1.23 1.63 -0.37 -2.79 0.00 0.00 177.10 175.10 3jy9 h VAL 1110N 5.97 0.23 0.00 -5.21 -1.51 -1.99 -0.53 116.25 113.21 3jy9 h VAL 1110Ca -0.27 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 65.10 3jy9 h VAL 1110Cb 1.08 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 3jy9 h VAL 1110CO 1.09 0.03 -0.21 0.78 -1.23 0.00 0.00 177.57 178.04 3jy9 h ASN 1111N 0.16 0.00 0.82 4.19 2.35 -1.94 -2.84 115.58 118.32 3jy9 h ASN 1111Ca 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.34 3jy9 h ASN 1111Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3jy9 h ASN 1111CO -0.71 0.21 -0.13 0.00 -1.65 0.00 0.00 177.43 175.14 3jy9 n GLN 1112N -3.56 0.06 -2.03 0.81 6.02 -0.21 -4.88 117.38 113.59 3jy9 n GLN 1112Ca -0.01 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.58 3jy9 n GLN 1112Cb 0.35 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3jy9 n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3jy9 s ARG 1113N -2.95 3.82 0.96 -1.09 0.52 -1.07 -4.98 118.95 114.16 3jy9 s ARG 1113Ca 0.15 2.14 -0.12 0.00 -0.52 0.00 0.00 55.73 57.38 3jy9 s ARG 1113Cb 0.19 -2.65 0.17 0.00 0.52 0.00 0.00 34.95 33.18 3jy9 s ARG 1113CO 0.56 -0.61 1.09 -1.25 0.02 0.00 0.00 175.30 175.12 3jy9 s PRO 1114N -2.39 0.73 0.38 3.54 0.04 -1.26 -5.05 135.00 130.99 3jy9 s PRO 1114Ca 0.60 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 3jy9 s PRO 1114Cb -0.38 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3jy9 s PRO 1114CO 0.48 -2.58 0.62 -1.54 0.04 0.00 0.00 177.00 174.02 3jy9 s SER 1115N -3.33 6.30 0.39 6.66 1.04 -1.26 -4.96 113.70 118.53 3jy9 s SER 1115Ca 0.65 0.62 0.12 0.00 0.48 0.00 0.00 55.95 57.81 3jy9 s SER 1115Cb -0.19 -2.11 0.79 0.00 0.10 0.00 0.00 66.02 64.62 3jy9 s SER 1115CO 0.58 -0.37 1.88 -0.26 0.98 0.00 0.00 173.24 176.05 3jy9 h PHE 1116N 0.66 0.08 -0.82 5.02 -1.00 -1.96 -1.50 116.94 117.42 3jy9 h PHE 1116Ca -0.49 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.32 3jy9 h PHE 1116Cb 1.21 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.70 3jy9 h PHE 1116CO 0.54 0.34 0.52 -0.09 -1.61 0.00 0.00 178.31 178.01 3jy9 h ARG 1117N 0.07 0.97 0.02 1.51 2.43 -1.94 -2.04 114.38 115.40 3jy9 h ARG 1117Ca 0.01 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 3jy9 h ARG 1117Cb 0.51 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3jy9 h ARG 1117CO 0.04 0.64 -0.97 -0.44 -1.51 0.00 0.00 179.97 177.73 3jy9 h ASP 1118N 1.00 0.16 -0.01 -3.80 3.45 -1.86 -2.71 116.42 112.65 3jy9 h ASP 1118Ca 0.34 -0.15 0.02 0.00 0.43 0.00 0.00 57.03 57.67 3jy9 h ASP 1118Cb 0.05 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 3jy9 h ASP 1118CO -0.13 1.04 -0.11 -0.07 -1.57 0.00 0.00 179.24 178.39 3jy9 h LEU 1119N 0.05 -0.33 -0.55 1.55 3.38 -1.17 0.13 115.31 118.37 3jy9 h LEU 1119Ca -0.04 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3jy9 h LEU 1119Cb 1.66 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 3jy9 h LEU 1119CO 0.14 -0.16 0.35 0.00 0.09 0.00 0.00 178.44 178.85 3jy9 h ALA 1120N 0.79 0.70 -0.55 1.53 0.00 -1.41 -0.03 119.26 120.29 3jy9 h ALA 1120Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jy9 h ALA 1120Cb 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3jy9 h ALA 1120CO -0.12 0.09 0.33 -0.07 0.00 0.00 0.00 179.25 179.48 3jy9 h LEU 1121N 0.69 0.54 -0.42 0.00 3.38 -1.25 -0.53 115.31 117.72 3jy9 h LEU 1121Ca 0.21 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3jy9 h LEU 1121Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3jy9 h LEU 1121CO -0.07 0.38 -0.29 0.03 0.09 0.00 0.00 178.44 178.58 3jy9 h ARG 1122N 0.66 0.94 -0.30 1.13 3.08 -0.11 -1.98 114.38 117.80 3jy9 h ARG 1122Ca 0.22 -0.45 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 3jy9 h ARG 1122Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3jy9 h ARG 1122CO -0.09 1.11 -0.35 0.28 -1.07 0.00 0.00 179.97 179.84 3jy9 h VAL 1123N 0.77 1.29 -0.34 2.04 2.07 -0.94 -0.85 116.25 120.29 3jy9 h VAL 1123Ca 0.08 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 3jy9 h VAL 1123Cb 0.87 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3jy9 h VAL 1123CO 0.08 0.49 0.02 0.44 0.02 0.00 0.00 177.57 178.61 3jy9 h ASP 1124N 0.57 0.48 -0.10 0.57 3.32 -0.90 -1.57 116.42 118.79 3jy9 h ASP 1124Ca 0.06 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3jy9 h ASP 1124Cb 0.87 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3jy9 h ASP 1124CO 0.08 0.53 0.01 -0.61 -1.72 0.00 0.00 179.24 177.53 3jy9 h GLN 1125N 0.50 0.17 -0.60 3.56 5.75 -0.99 -1.61 115.11 121.89 3jy9 h GLN 1125Ca 0.11 -0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.67 3jy9 h GLN 1125Cb 0.29 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.74 3jy9 h GLN 1125CO 0.01 0.40 0.16 0.82 -2.65 0.00 0.00 178.83 177.57 3jy9 h ILE 1126N -0.09 0.68 -0.12 2.39 1.08 -0.87 -1.95 117.51 118.63 3jy9 h ILE 1126Ca 0.03 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.42 3jy9 h ILE 1126Cb 0.32 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 3jy9 h ILE 1126CO 0.00 0.06 -0.06 0.03 -0.69 0.00 0.00 178.15 177.49 3jy9 h ARG 1127N 0.30 -0.04 -0.11 2.37 3.08 -1.02 -1.68 114.38 117.27 3jy9 h ARG 1127Ca 0.31 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.37 3jy9 h ARG 1127Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3jy9 h ARG 1127CO -0.37 -0.03 0.04 0.22 -1.07 0.00 0.00 179.97 178.76 3jy9 h ASP 1128N -0.04 0.04 -0.82 7.04 -0.00 -1.15 -2.15 116.42 119.34 3jy9 h ASP 1128Ca 0.07 0.01 0.20 0.00 -0.00 0.00 0.00 57.03 57.31 3jy9 h ASP 1128Cb 0.14 0.01 -0.12 0.00 -0.00 0.00 0.00 39.33 39.36 3jy9 h ASP 1128CO -0.15 0.04 0.23 0.78 -0.00 0.00 0.00 179.24 180.14 3jy9 h ASN 1129N 0.09 0.05 0.00 2.28 -0.26 -1.09 -3.52 115.58 113.14 3jy9 h ASN 1129Ca 0.05 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3jy9 h ASN 1129Cb 0.03 0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3jy9 h ASN 1129CO -0.05 -0.07 0.00 0.23 -1.06 0.00 0.00 177.43 176.47