#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e64 s ASP 840 N 0.00 6.62 0.00 6.15 3.68 -1.26 -4.93 116.67 126.93 3e64 s ASP 840 Ca 0.00 0.41 0.16 0.00 2.13 0.00 0.00 52.55 55.25 3e64 s ASP 840 Cb 0.00 -2.50 0.68 0.00 -1.45 0.00 0.00 42.92 39.65 3e64 s ASP 840 CO 0.00 -1.08 1.50 -2.65 0.13 0.00 0.00 175.17 173.07 3e64 n PRO 841 N 7.34 0.02 0.00 4.34 -0.02 -1.26 -1.65 135.00 143.77 3e64 n PRO 841 Ca 0.09 0.22 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 3e64 n PRO 841 Cb 0.48 -1.50 0.56 0.00 -0.02 0.00 0.00 33.50 33.02 3e64 n PRO 841 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3e64 n THR 842 N -1.48 0.00 -3.54 3.45 -2.24 -1.26 -4.72 114.28 104.49 3e64 n THR 842 Ca 0.04 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3e64 n THR 842 Cb 0.18 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 3e64 n THR 842 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3e64 s GLN 843 N -2.17 2.84 -0.20 -0.78 -1.52 -0.66 -1.28 119.66 115.89 3e64 s GLN 843 Ca 0.35 -1.16 -0.07 0.00 -1.95 0.00 0.00 55.36 52.53 3e64 s GLN 843 Cb 0.21 -3.85 -0.04 0.00 -0.22 0.00 0.00 33.01 29.11 3e64 s GLN 843 CO 0.40 -0.80 0.05 -0.06 -0.25 0.00 0.00 175.29 174.63 3e64 s PHE 844 N 1.57 3.17 -0.26 0.91 0.40 -0.89 -4.94 117.98 117.94 3e64 s PHE 844 Ca 0.03 -0.12 -0.25 0.00 -0.60 0.00 0.00 56.93 55.99 3e64 s PHE 844 Cb -0.20 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.22 3e64 s PHE 844 CO 0.07 -0.01 0.88 -2.00 0.70 0.00 0.00 175.22 174.85 3e64 s GLU 845 N 0.71 4.14 0.43 0.44 2.56 -1.26 -4.39 118.70 121.32 3e64 s GLU 845 Ca 0.02 0.95 0.11 0.00 0.00 0.00 0.00 54.97 56.05 3e64 s GLU 845 Cb -0.13 -3.67 0.93 0.00 2.00 0.00 0.00 34.13 33.25 3e64 s GLU 845 CO 0.02 -0.61 2.00 1.05 -0.56 0.00 0.00 175.26 177.16 3e64 h GLU 846 N 7.78 0.21 0.00 4.30 4.11 -1.97 -1.63 114.58 127.38 3e64 h GLU 846 Ca -0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.17 3e64 h GLU 846 Cb 1.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3e64 h GLU 846 CO 0.91 0.27 0.00 0.07 0.07 0.00 0.00 179.01 180.33 3e64 h ARG 847 N 0.21 0.00 -0.01 1.06 0.11 -2.01 -1.12 114.38 112.62 3e64 h ARG 847 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 3e64 h ARG 847 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3e64 h ARG 847 CO 0.01 0.00 -0.27 0.72 0.10 0.00 0.00 179.97 180.53 3e64 n HIS 848 N -2.71 0.00 -2.77 4.08 8.25 -0.61 -4.84 115.22 116.62 3e64 n HIS 848 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3e64 n HIS 848 Cb 0.20 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 3e64 n HIS 848 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3e64 s LEU 849 N -2.58 3.99 -0.26 2.41 1.43 -0.43 -0.91 118.68 122.32 3e64 s LEU 849 Ca 0.23 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 3e64 s LEU 849 Cb 0.19 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 3e64 s LEU 849 CO 0.54 -0.82 0.23 -0.54 0.23 0.00 0.00 176.35 175.99 3e64 s LYS 850 N 3.45 4.01 0.20 1.70 1.02 0.25 -4.92 119.74 125.43 3e64 s LYS 850 Ca 0.40 -0.21 -0.32 0.00 0.02 0.00 0.00 55.97 55.86 3e64 s LYS 850 Cb -0.12 -3.62 -0.12 0.00 -0.52 0.00 0.00 37.83 33.45 3e64 s LYS 850 CO 0.16 -0.13 1.70 0.12 -0.92 0.00 0.00 175.35 176.29 3e64 s PHE 851 N 1.61 2.90 -0.08 3.18 2.19 -1.26 -0.74 117.98 125.77 3e64 s PHE 851 Ca 0.09 0.37 -0.06 0.00 0.33 0.00 0.00 56.93 57.67 3e64 s PHE 851 Cb -0.15 -4.11 -0.04 0.00 -1.31 0.00 0.00 43.02 37.41 3e64 s PHE 851 CO 0.09 -4.21 -0.14 1.28 1.83 0.00 0.00 175.22 174.08 3e64 n LEU 852 N 4.06 0.92 -3.47 6.12 4.77 0.10 -4.88 117.00 124.62 3e64 n LEU 852 Ca 0.16 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3e64 n LEU 852 Cb 0.36 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3e64 n LEU 852 CO 0.64 0.03 0.51 0.00 -1.33 0.00 0.00 177.39 177.23 3e64 s GLN 853 N -2.23 1.07 0.13 3.23 -2.07 -0.98 -5.02 119.66 113.79 3e64 s GLN 853 Ca -0.14 -0.23 -0.24 0.00 -1.82 0.00 0.00 55.36 52.94 3e64 s GLN 853 Cb 0.05 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 32.39 3e64 s GLN 853 CO 0.18 -0.43 0.71 -1.14 -1.32 0.00 0.00 175.29 173.29 3e64 s GLN 854 N -2.86 4.46 -0.02 9.60 0.74 -1.26 -0.06 119.66 130.26 3e64 s GLN 854 Ca -0.01 1.03 0.14 0.00 0.05 0.00 0.00 55.36 56.57 3e64 s GLN 854 Cb -0.01 -3.26 -0.22 0.00 1.10 0.00 0.00 33.01 30.62 3e64 s GLN 854 CO -0.06 0.57 0.31 1.28 -0.55 0.00 0.00 175.29 176.84 3e64 n LEU 855 N 1.74 0.01 0.00 3.68 4.77 0.55 -4.85 117.00 122.90 3e64 n LEU 855 Ca -0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3e64 n LEU 855 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3e64 n LEU 855 CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3e64 n GLY 856 N 1.70 1.86 3.26 -0.72 0.00 -1.05 -4.93 105.19 105.31 3e64 n GLY 856 Ca -0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 3e64 n GLY 856 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e64 s LYS 857 N -2.00 0.96 0.00 1.61 2.20 -1.26 -1.08 119.74 120.17 3e64 s LYS 857 Ca 0.00 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 3e64 s LYS 857 Cb 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3e64 s LYS 857 CO 0.00 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 3e64 n GLY 858 N -0.13 2.09 3.77 5.54 0.00 -0.65 -4.99 105.19 110.81 3e64 n GLY 858 Ca -0.14 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3e64 n GLY 858 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3e64 s ASN 859 N 2.00 5.98 0.00 1.61 0.02 -1.26 -4.16 114.94 119.12 3e64 s ASN 859 Ca 0.00 2.38 0.00 0.00 -1.02 0.00 0.00 52.86 54.22 3e64 s ASN 859 Cb 0.00 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.66 3e64 s ASN 859 CO 0.00 -1.05 0.00 2.22 0.02 0.00 0.00 177.10 178.29 3e64 n PHE 860 N -0.63 0.00 -4.45 2.20 -0.00 -1.26 -4.90 117.46 108.42 3e64 n PHE 860 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.30 3e64 n PHE 860 Cb 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.87 3e64 n PHE 860 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3e64 s GLY 861 N 0.00 2.38 0.05 4.97 0.00 -1.26 0.21 107.32 113.67 3e64 s GLY 861 Ca 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 3e64 s GLY 861 CO 0.00 -1.76 0.05 -1.35 0.00 0.00 0.00 173.10 170.04 3e64 s SER 862 N -3.52 0.30 -0.07 1.64 1.04 -0.41 -1.63 113.70 111.04 3e64 s SER 862 Ca 0.29 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3e64 s SER 862 Cb 0.04 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3e64 s SER 862 CO 0.16 -0.56 -0.18 -0.69 0.98 0.00 0.00 173.24 172.95 3e64 s VAL 863 N -3.22 1.54 0.01 5.02 1.01 -0.24 -1.25 120.40 123.27 3e64 s VAL 863 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.33 3e64 s VAL 863 Cb 0.03 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3e64 s VAL 863 CO -0.07 0.44 -0.23 -1.61 0.00 0.00 0.00 175.10 173.63 3e64 s GLU 864 N 0.39 1.67 -0.10 2.72 2.02 -0.10 -0.33 118.70 124.96 3e64 s GLU 864 Ca -0.13 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.66 3e64 s GLU 864 Cb -0.16 -1.71 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 3e64 s GLU 864 CO 0.05 0.45 1.04 1.41 0.02 0.00 0.00 175.26 178.24 3e64 s MET 865 N -0.88 4.40 0.08 1.61 -2.45 0.92 -0.17 119.30 122.81 3e64 s MET 865 Ca 0.09 1.44 0.03 0.00 -1.25 0.00 0.00 55.69 56.00 3e64 s MET 865 Cb -0.09 -3.55 -0.03 0.00 1.25 0.00 0.00 34.83 32.41 3e64 s MET 865 CO 0.01 -0.35 -0.10 0.00 1.05 0.00 0.00 175.02 175.63 3e64 s ARG 867 N -2.34 4.18 -0.59 0.00 3.52 0.08 -0.16 118.95 123.64 3e64 s ARG 867 Ca 0.00 -0.06 -0.24 0.00 -0.13 0.00 0.00 55.73 55.30 3e64 s ARG 867 Cb -0.05 -3.47 0.05 0.00 -1.56 0.00 0.00 34.95 29.91 3e64 s ARG 867 CO 0.00 0.17 0.97 -0.47 -0.81 0.00 0.00 175.30 175.15 3e64 s TYR 868 N 0.72 2.73 -0.53 5.12 5.04 0.11 -0.59 117.35 129.95 3e64 s TYR 868 Ca 0.12 -0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.64 3e64 s TYR 868 Cb -0.13 -4.17 0.29 0.00 0.35 0.00 0.00 41.96 38.30 3e64 s TYR 868 CO 0.03 -1.48 0.75 -3.47 -1.34 0.00 0.00 175.55 170.04 3e64 n ASP 869 N 7.64 2.72 0.26 4.32 2.03 -0.09 -3.16 116.55 130.27 3e64 n ASP 869 Ca -0.00 -3.28 0.13 0.00 0.52 0.00 0.00 54.79 52.16 3e64 n ASP 869 Cb 0.47 -0.63 0.72 0.00 -0.72 0.00 0.00 41.12 40.96 3e64 n ASP 869 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3e64 h PRO 870 N 3.64 0.00 0.00 -0.67 0.13 -1.92 -0.18 132.00 133.00 3e64 h PRO 870 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3e64 h PRO 870 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3e64 h PRO 870 CO 0.70 0.12 -0.03 1.28 -0.23 0.00 0.00 178.00 179.84 3e64 n LEU 871 N -3.63 0.40 -2.23 1.56 4.77 -1.26 -4.95 117.00 111.66 3e64 n LEU 871 Ca -0.02 0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 3e64 n LEU 871 Cb 0.24 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3e64 n LEU 871 CO 0.30 -0.08 -0.25 0.00 -1.33 0.00 0.00 177.39 176.03 3e64 n GLN 872 N -1.86 -1.61 -0.09 3.23 6.02 -0.08 -4.86 117.38 118.13 3e64 n GLN 872 Ca 0.06 1.03 0.10 0.00 -0.01 0.00 0.00 57.00 58.17 3e64 n GLN 872 Cb 0.38 -5.63 0.13 0.00 1.02 0.00 0.00 30.24 26.15 3e64 n GLN 872 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3e64 n ASP 873 N -1.83 2.23 -2.19 1.08 5.75 -1.26 -4.99 116.55 115.34 3e64 n ASP 873 Ca -0.24 -3.04 -0.20 0.00 -0.01 0.00 0.00 54.79 51.30 3e64 n ASP 873 Cb 0.68 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 3e64 n ASP 873 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3e64 n ASN 874 N -1.37 -5.64 -0.36 -1.12 3.02 -1.26 -4.88 115.26 103.66 3e64 n ASN 874 Ca 0.15 0.13 0.07 0.00 -0.03 0.00 0.00 54.58 54.90 3e64 n ASN 874 Cb 0.64 -4.77 0.01 0.00 -0.61 0.00 0.00 39.78 35.05 3e64 n ASN 874 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3e64 n THR 875 N -3.54 0.00 -1.17 3.41 -2.24 -1.26 -5.05 114.28 104.43 3e64 n THR 875 Ca -0.23 -0.39 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 3e64 n THR 875 Cb 0.68 1.19 0.19 0.00 -2.10 0.00 0.00 70.33 70.28 3e64 n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3e64 s GLY 876 N -1.59 1.57 0.30 3.38 0.00 -1.26 -4.99 107.32 104.73 3e64 s GLY 876 Ca 0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 3e64 s GLY 876 CO 0.31 0.17 1.16 1.85 0.00 0.00 0.00 173.10 176.59 3e64 s GLU 877 N -5.06 4.53 -0.03 2.90 2.12 -1.19 -4.69 118.70 117.27 3e64 s GLU 877 Ca 0.66 1.91 -0.23 0.00 0.36 0.00 0.00 54.97 57.67 3e64 s GLU 877 Cb -0.17 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 3e64 s GLU 877 CO 0.57 0.07 0.71 0.08 -0.54 0.00 0.00 175.26 176.15 3e64 s VAL 878 N -1.18 4.94 0.15 3.70 1.01 -1.26 0.03 120.40 127.79 3e64 s VAL 878 Ca 0.46 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.93 3e64 s VAL 878 Cb -0.34 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3e64 s VAL 878 CO 0.44 0.30 0.01 0.68 0.00 0.00 0.00 175.10 176.53 3e64 s VAL 879 N 0.43 0.51 -0.15 2.92 -7.23 0.77 -4.31 120.40 113.34 3e64 s VAL 879 Ca 0.37 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 3e64 s VAL 879 Cb -0.19 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 3e64 s VAL 879 CO 0.19 -0.55 0.19 0.00 -0.31 0.00 0.00 175.10 174.63 3e64 s ALA 880 N -3.77 3.73 -0.20 1.32 0.00 -0.02 -1.22 121.76 121.61 3e64 s ALA 880 Ca 0.22 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3e64 s ALA 880 Cb 0.06 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 21.04 3e64 s ALA 880 CO 0.02 0.32 -0.14 0.08 0.00 0.00 0.00 175.76 176.04 3e64 s VAL 881 N -0.19 1.86 -0.18 0.00 1.01 0.76 -0.36 120.40 123.29 3e64 s VAL 881 Ca 0.14 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3e64 s VAL 881 Cb -0.12 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3e64 s VAL 881 CO 0.03 0.29 0.17 -0.75 0.00 0.00 0.00 175.10 174.84 3e64 s LYS 882 N 1.32 4.13 0.20 2.72 2.20 0.69 -0.93 119.74 130.07 3e64 s LYS 882 Ca 0.00 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 3e64 s LYS 882 Cb -0.15 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3e64 s LYS 882 CO -0.10 0.34 0.12 -1.59 -0.36 0.00 0.00 175.35 173.77 3e64 s LYS 883 N 0.22 1.20 -0.05 4.03 -2.85 -0.38 -0.95 119.74 120.95 3e64 s LYS 883 Ca 0.11 -1.63 -0.13 0.00 -1.00 0.00 0.00 55.97 53.32 3e64 s LYS 883 Cb -0.12 0.22 -0.05 0.00 -2.06 0.00 0.00 37.83 35.82 3e64 s LYS 883 CO 0.00 -0.37 0.34 -0.51 0.10 0.00 0.00 175.35 174.92 3e64 s LEU 884 N -3.16 4.41 -0.02 2.77 1.43 -1.26 -1.29 118.68 121.56 3e64 s LEU 884 Ca 0.38 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 54.04 3e64 s LEU 884 Cb 0.07 -2.46 -0.22 0.00 0.03 0.00 0.00 46.19 43.61 3e64 s LEU 884 CO 0.11 0.29 1.11 1.56 0.23 0.00 0.00 176.35 179.65 3e64 h GLN 885 N 5.17 0.27 -4.78 1.70 1.08 0.21 -3.41 115.11 115.34 3e64 h GLN 885 Ca -0.50 -0.25 -0.67 0.00 -1.45 0.00 0.00 58.65 55.78 3e64 h GLN 885 Cb 1.21 0.06 -0.37 0.00 -0.05 0.00 0.00 27.48 28.33 3e64 h GLN 885 CO 0.64 0.92 -0.75 -1.01 -0.95 0.00 0.00 178.83 177.69 3e64 s HIS 886 N -3.39 3.45 -0.94 2.96 3.76 -1.22 -5.04 115.29 114.86 3e64 s HIS 886 Ca -0.15 -2.49 -0.01 0.00 -0.15 0.00 0.00 55.06 52.27 3e64 s HIS 886 Cb 0.02 -2.35 0.30 0.00 1.11 0.00 0.00 32.58 31.67 3e64 s HIS 886 CO 0.76 -0.90 1.39 -1.13 -0.85 0.00 0.00 174.74 174.02 3e64 n SER 887 N 4.41 6.02 -4.71 1.40 3.41 -1.26 -4.82 113.62 118.06 3e64 n SER 887 Ca -0.08 -3.51 -0.29 0.00 -0.26 0.00 0.00 58.87 54.73 3e64 n SER 887 Cb 0.42 -1.07 0.16 0.00 -0.26 0.00 0.00 64.21 63.46 3e64 n SER 887 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3e64 s THR 888 N -3.28 2.06 0.19 6.66 -4.23 -1.26 -4.74 115.64 111.04 3e64 s THR 888 Ca 0.36 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 3e64 s THR 888 Cb 0.12 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.54 3e64 s THR 888 CO 0.01 -0.03 1.64 -0.33 -0.54 0.00 0.00 174.62 175.38 3e64 h GLU 889 N -1.76 -0.00 -0.20 3.99 5.08 -1.99 -0.29 114.58 119.40 3e64 h GLU 889 Ca -0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 3e64 h GLU 889 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3e64 h GLU 889 CO 0.59 -0.00 0.01 1.49 -1.00 0.00 0.00 179.01 180.10 3e64 h GLU 890 N -0.00 0.35 -0.41 2.33 4.81 -1.99 -1.59 114.58 118.08 3e64 h GLU 890 Ca 0.26 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3e64 h GLU 890 Cb 0.39 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3e64 h GLU 890 CO -0.55 0.53 0.16 0.45 -0.73 0.00 0.00 179.01 178.86 3e64 h HIS 891 N 0.13 0.28 -0.77 0.92 3.86 -1.81 -1.92 115.15 115.84 3e64 h HIS 891 Ca 0.06 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3e64 h HIS 891 Cb 0.36 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 3e64 h HIS 891 CO 0.03 0.12 0.46 -0.07 0.86 0.00 0.00 177.93 179.32 3e64 h LEU 892 N 0.33 0.92 -0.15 2.43 3.38 -0.95 0.37 115.31 121.64 3e64 h LEU 892 Ca 0.19 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3e64 h LEU 892 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3e64 h LEU 892 CO -0.18 0.72 -0.01 -0.09 0.09 0.00 0.00 178.44 178.96 3e64 h ARG 893 N 1.05 0.04 -0.65 1.13 2.43 -1.01 0.11 114.38 117.46 3e64 h ARG 893 Ca 0.27 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3e64 h ARG 893 Cb -0.03 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3e64 h ARG 893 CO -0.05 0.02 0.29 -0.44 -1.51 0.00 0.00 179.97 178.28 3e64 h ASP 894 N 0.04 0.88 -0.56 -3.80 3.32 -1.06 -2.57 116.42 112.67 3e64 h ASP 894 Ca 0.07 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3e64 h ASP 894 Cb 0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3e64 h ASP 894 CO -0.13 0.79 0.36 0.15 -1.72 0.00 0.00 179.24 178.69 3e64 h PHE 895 N 0.91 0.71 -0.54 4.55 3.57 -0.60 -1.01 116.94 124.53 3e64 h PHE 895 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3e64 h PHE 895 Cb 0.17 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3e64 h PHE 895 CO 0.01 0.46 0.21 1.49 -2.23 0.00 0.00 178.31 178.25 3e64 h GLU 896 N 0.75 0.78 -0.63 1.11 4.81 -0.79 -0.32 114.58 120.29 3e64 h GLU 896 Ca 0.20 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3e64 h GLU 896 Cb -0.06 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3e64 h GLU 896 CO -0.04 0.65 0.11 0.00 -0.73 0.00 0.00 179.01 179.00 3e64 h ARG 897 N 0.77 1.03 -0.15 1.92 3.08 -1.03 -1.89 114.38 118.11 3e64 h ARG 897 Ca 0.18 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3e64 h ARG 897 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3e64 h ARG 897 CO -0.02 0.96 0.03 1.49 -1.07 0.00 0.00 179.97 181.36 3e64 h GLU 898 N 0.95 0.09 -0.44 0.04 4.81 -0.36 0.50 114.58 120.16 3e64 h GLU 898 Ca 0.19 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3e64 h GLU 898 Cb 0.41 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 3e64 h GLU 898 CO 0.01 0.06 0.11 0.82 -0.73 0.00 0.00 179.01 179.29 3e64 h ILE 899 N 0.10 0.80 -0.80 2.32 2.04 -0.96 -0.57 117.51 120.44 3e64 h ILE 899 Ca 0.07 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3e64 h ILE 899 Cb 0.06 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3e64 h ILE 899 CO -0.09 0.05 0.48 -0.33 0.00 0.00 0.00 178.15 178.26 3e64 h GLU 900 N 0.26 1.09 0.06 2.37 4.39 -0.99 -0.18 114.58 121.59 3e64 h GLU 900 Ca 0.21 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3e64 h GLU 900 Cb 0.25 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3e64 h GLU 900 CO -0.26 0.77 -0.18 0.82 -1.16 0.00 0.00 179.01 179.00 3e64 h ILE 901 N 1.10 0.57 -0.60 3.13 2.04 -0.37 -1.90 117.51 121.49 3e64 h ILE 901 Ca 0.29 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.10 3e64 h ILE 901 Cb -0.04 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3e64 h ILE 901 CO -0.05 0.00 0.19 0.25 0.00 0.00 0.00 178.15 178.54 3e64 h LEU 902 N -0.33 0.87 -1.84 1.44 5.85 -0.80 -1.64 115.31 118.85 3e64 h LEU 902 Ca 0.04 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3e64 h LEU 902 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3e64 h LEU 902 CO -0.13 0.84 0.23 0.50 -0.34 0.00 0.00 178.44 179.55 3e64 h LYS 903 N 0.85 0.19 -0.00 1.25 3.64 -0.92 -1.82 116.57 119.75 3e64 h LYS 903 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3e64 h LYS 903 Cb 0.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3e64 h LYS 903 CO -0.01 0.12 -0.06 -1.13 -2.27 0.00 0.00 179.45 176.11 3e64 n SER 904 N -4.48 0.08 -4.55 4.20 3.41 -0.63 -4.79 113.62 106.87 3e64 n SER 904 Ca 0.04 0.20 -0.36 0.00 -0.26 0.00 0.00 58.87 58.49 3e64 n SER 904 Cb 0.27 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 3e64 n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3e64 s LEU 905 N -2.86 3.74 -0.27 1.04 1.43 -0.69 -5.06 118.68 116.01 3e64 s LEU 905 Ca 0.18 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3e64 s LEU 905 Cb 0.19 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.50 3e64 s LEU 905 CO 0.53 0.02 0.04 -1.10 0.23 0.00 0.00 176.35 176.08 3e64 s GLN 906 N 1.28 1.00 -0.08 1.70 1.11 -1.26 -4.82 119.66 118.59 3e64 s GLN 906 Ca 0.06 -1.02 -0.20 0.00 0.01 0.00 0.00 55.36 54.21 3e64 s GLN 906 Cb -0.14 -2.29 0.04 0.00 -1.01 0.00 0.00 33.01 29.61 3e64 s GLN 906 CO 0.05 -0.82 0.46 -1.58 0.01 0.00 0.00 175.29 173.41 3e64 s HIS 907 N 1.53 -0.42 0.52 0.91 2.46 -1.26 -5.04 115.29 113.99 3e64 s HIS 907 Ca 0.04 0.84 0.27 0.00 0.47 0.00 0.00 55.06 56.68 3e64 s HIS 907 Cb -0.18 0.20 1.40 0.00 -0.13 0.00 0.00 32.58 33.87 3e64 s HIS 907 CO -0.16 -0.40 1.95 -0.44 -2.47 0.00 0.00 174.74 173.22 3e64 h ASP 908 N 4.18 0.04 -0.49 9.88 3.32 -1.99 -2.37 116.42 128.99 3e64 h ASP 908 Ca -0.28 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.54 3e64 h ASP 908 Cb 1.17 -0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.57 3e64 h ASP 908 CO 0.33 0.02 0.09 0.59 -1.72 0.00 0.00 179.24 178.54 3e64 n ASN 909 N -4.35 2.92 -3.97 6.45 4.13 -1.26 -4.82 115.26 114.37 3e64 n ASN 909 Ca 0.14 -3.67 -0.22 0.00 1.68 0.00 0.00 54.58 52.51 3e64 n ASN 909 Cb 0.74 -0.67 -0.16 0.00 -1.54 0.00 0.00 39.78 38.14 3e64 n ASN 909 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3e64 s ILE 910 N -3.22 0.87 0.33 2.41 1.01 -0.89 -0.76 121.20 120.95 3e64 s ILE 910 Ca 0.47 -0.32 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 3e64 s ILE 910 Cb 0.42 -0.83 -0.13 0.00 0.01 0.00 0.00 42.46 41.93 3e64 s ILE 910 CO 0.03 0.30 1.24 0.55 0.00 0.00 0.00 174.94 177.06 3e64 n VAL 911 N 3.90 1.96 -2.72 2.92 3.14 -0.21 -4.61 118.33 122.70 3e64 n VAL 911 Ca -0.24 -0.49 -0.42 0.00 -2.96 0.00 0.00 64.34 60.23 3e64 n VAL 911 Cb 0.51 -1.46 -0.03 0.00 -1.06 0.00 0.00 33.84 31.80 3e64 n VAL 911 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3e64 s LYS 912 N -1.77 4.43 0.23 1.45 1.02 -1.26 -4.98 119.74 118.85 3e64 s LYS 912 Ca 0.56 1.34 -0.30 0.00 0.02 0.00 0.00 55.97 57.59 3e64 s LYS 912 Cb -0.60 -3.53 -0.10 0.00 -0.52 0.00 0.00 37.83 33.08 3e64 s LYS 912 CO 0.61 -0.26 1.49 -0.47 -0.92 0.00 0.00 175.35 175.80 3e64 s TYR 913 N 1.83 3.01 -0.10 3.18 5.04 -1.26 -1.60 117.35 127.45 3e64 s TYR 913 Ca 0.48 0.89 0.04 0.00 -2.44 0.00 0.00 57.07 56.03 3e64 s TYR 913 Cb -0.18 -3.87 -0.09 0.00 0.35 0.00 0.00 41.96 38.17 3e64 s TYR 913 CO 0.19 -2.96 -0.04 1.63 -1.34 0.00 0.00 175.55 173.03 3e64 n LYS 914 N 2.83 1.31 -3.68 4.97 5.02 0.06 -4.84 118.16 123.83 3e64 n LYS 914 Ca 0.09 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3e64 n LYS 914 Cb 0.39 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3e64 n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e64 n GLY 915 N 2.76 -0.87 3.03 0.72 0.00 -0.90 -4.24 105.19 105.67 3e64 n GLY 915 Ca -0.17 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 3e64 n GLY 915 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e64 s VAL 916 N -3.00 0.16 -0.08 1.61 1.01 -0.40 -0.88 120.40 118.81 3e64 s VAL 916 Ca 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 3e64 s VAL 916 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3e64 s VAL 916 CO 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 175.10 174.34 3e64 s TYR 918 N -0.69 2.73 0.29 0.00 2.02 -1.26 -1.45 117.35 118.99 3e64 s TYR 918 Ca 0.11 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 3e64 s TYR 918 Cb -0.11 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.65 3e64 s TYR 918 CO 0.02 -0.04 0.62 -1.54 -1.57 0.00 0.00 175.55 173.03 3e64 s SER 919 N -0.16 6.59 0.60 2.29 1.04 -0.04 -4.92 113.70 119.09 3e64 s SER 919 Ca -0.01 0.96 -0.18 0.00 0.48 0.00 0.00 55.95 57.20 3e64 s SER 919 Cb -0.13 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 3e64 s SER 919 CO 0.03 -0.18 1.20 0.00 0.98 0.00 0.00 173.24 175.27 3e64 s ALA 920 N -2.00 2.52 0.00 5.32 0.00 -1.26 -3.09 121.76 123.25 3e64 s ALA 920 Ca 0.48 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3e64 s ALA 920 Cb -0.11 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3e64 s ALA 920 CO 0.24 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3e64 n GLY 921 N 0.44 2.00 0.00 0.00 0.00 -1.26 -4.01 105.19 102.36 3e64 n GLY 921 Ca 0.13 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3e64 n GLY 921 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3e64 n ARG 922 N 0.00 0.36 -3.10 1.61 1.85 -1.26 -4.91 116.66 111.21 3e64 n ARG 922 Ca 0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 57.85 56.76 3e64 n ARG 922 Cb 0.00 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 29.98 3e64 n ARG 922 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3e64 n ARG 923 N -1.29 -4.56 -2.05 2.89 0.63 -1.18 -4.99 116.66 106.10 3e64 n ARG 923 Ca 0.12 0.69 -0.36 0.00 -0.92 0.00 0.00 57.85 57.38 3e64 n ARG 923 Cb 0.21 -5.16 0.03 0.00 0.45 0.00 0.00 32.46 27.99 3e64 n ARG 923 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3e64 s ASN 924 N -3.92 5.29 -0.00 6.15 3.04 -1.26 -4.73 114.94 119.50 3e64 s ASN 924 Ca 0.08 2.34 0.07 0.00 0.04 0.00 0.00 52.86 55.39 3e64 s ASN 924 Cb -0.01 -2.59 -0.02 0.00 -1.54 0.00 0.00 41.25 37.09 3e64 s ASN 924 CO 0.59 -1.52 -0.22 -0.76 -3.04 0.00 0.00 177.10 172.14 3e64 s LEU 925 N -4.04 2.08 -0.03 3.21 1.43 -1.26 -0.86 118.68 119.21 3e64 s LEU 925 Ca 0.76 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3e64 s LEU 925 Cb -0.29 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 3e64 s LEU 925 CO 0.32 0.25 -0.17 -0.54 0.23 0.00 0.00 176.35 176.44 3e64 s LYS 926 N -0.70 1.57 -0.24 1.70 1.02 -0.52 -4.49 119.74 118.08 3e64 s LYS 926 Ca 0.09 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 3e64 s LYS 926 Cb -0.09 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 3e64 s LYS 926 CO -0.00 0.31 0.15 -1.17 -0.92 0.00 0.00 175.35 173.72 3e64 s LEU 927 N -0.18 4.08 -0.18 3.17 2.96 -0.13 -0.90 118.68 127.51 3e64 s LEU 927 Ca 0.02 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 3e64 s LEU 927 Cb -0.09 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3e64 s LEU 927 CO 0.01 0.06 0.04 -0.63 -1.32 0.00 0.00 176.35 174.50 3e64 s ILE 928 N 1.07 4.51 0.16 6.68 -1.09 -0.06 -0.22 121.20 132.26 3e64 s ILE 928 Ca 0.07 -0.13 0.04 0.00 -2.23 0.00 0.00 60.65 58.41 3e64 s ILE 928 Cb -0.14 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.67 3e64 s ILE 928 CO 0.05 0.46 -0.09 -0.04 -1.23 0.00 0.00 174.94 174.09 3e64 s MET 929 N 0.44 1.12 0.61 2.79 -1.94 0.51 -0.76 119.30 122.07 3e64 s MET 929 Ca 0.01 -1.50 -0.19 0.00 -1.71 0.00 0.00 55.69 52.30 3e64 s MET 929 Cb -0.13 -0.65 -0.03 0.00 2.01 0.00 0.00 34.83 36.03 3e64 s MET 929 CO 0.01 0.05 1.29 -0.85 -0.01 0.00 0.00 175.02 175.51 3e64 n GLU 930 N -0.25 1.31 -3.28 2.03 0.28 -0.63 -0.84 120.64 119.26 3e64 n GLU 930 Ca -0.09 0.50 -0.39 0.00 -0.16 0.00 0.00 57.16 57.02 3e64 n GLU 930 Cb 0.61 -2.52 -0.07 0.00 1.43 0.00 0.00 31.44 30.89 3e64 n GLU 930 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3e64 s TYR 931 N -1.36 3.33 -0.42 -1.84 5.04 -1.26 -4.24 117.35 116.60 3e64 s TYR 931 Ca 0.78 0.66 -0.13 0.00 -2.44 0.00 0.00 57.07 55.95 3e64 s TYR 931 Cb -0.40 -2.65 0.05 0.00 0.35 0.00 0.00 41.96 39.32 3e64 s TYR 931 CO 0.44 -0.15 0.29 -0.51 -1.34 0.00 0.00 175.55 174.28 3e64 s LEU 932 N 1.83 5.18 0.26 6.97 1.43 -1.26 -4.99 118.68 128.10 3e64 s LEU 932 Ca 0.21 -1.21 0.25 0.00 -1.03 0.00 0.00 54.13 52.35 3e64 s LEU 932 Cb -0.15 -2.09 0.91 0.00 0.03 0.00 0.00 46.19 44.88 3e64 s LEU 932 CO 0.09 -0.52 1.75 1.55 0.23 0.00 0.00 176.35 179.45 3e64 h PRO 933 N 8.56 0.00 -0.01 1.29 0.13 -1.76 -2.84 132.00 137.38 3e64 h PRO 933 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3e64 h PRO 933 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3e64 h PRO 933 CO 0.77 0.00 -0.02 0.66 -0.23 0.00 0.00 178.00 179.18 3e64 n TYR 934 N -2.32 0.00 -4.16 1.56 0.53 -0.99 -5.04 117.16 106.74 3e64 n TYR 934 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 3e64 n TYR 934 Cb 0.33 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.61 3e64 n TYR 934 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3e64 n GLY 935 N 1.12 -1.19 3.81 2.72 0.00 -1.07 -4.70 105.19 105.87 3e64 n GLY 935 Ca 0.20 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3e64 n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3e64 s SER 936 N -4.00 6.28 0.30 1.61 1.04 -1.26 -0.11 113.70 117.56 3e64 s SER 936 Ca 0.00 1.82 0.02 0.00 0.48 0.00 0.00 55.95 58.27 3e64 s SER 936 Cb 0.00 -2.54 0.46 0.00 0.10 0.00 0.00 66.02 64.04 3e64 s SER 936 CO 0.00 -0.82 1.79 0.25 0.98 0.00 0.00 173.24 175.43 3e64 h LEU 937 N 1.16 0.55 -0.05 2.42 5.85 -0.30 -0.88 115.31 124.06 3e64 h LEU 937 Ca -0.48 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.12 3e64 h LEU 937 Cb 1.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3e64 h LEU 937 CO 0.59 0.69 -0.14 -0.09 -0.34 0.00 0.00 178.44 179.15 3e64 h ARG 938 N 0.53 -0.20 -0.45 1.25 2.43 -1.69 0.60 114.38 116.84 3e64 h ARG 938 Ca 0.10 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3e64 h ARG 938 Cb 0.49 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3e64 h ARG 938 CO 0.03 -0.13 0.05 -0.44 -1.51 0.00 0.00 179.97 177.96 3e64 h ASP 939 N -0.21 0.74 -0.22 -3.80 3.32 -1.84 -1.56 116.42 112.86 3e64 h ASP 939 Ca 0.06 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.86 3e64 h ASP 939 Cb 0.30 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3e64 h ASP 939 CO -0.17 0.83 0.08 0.22 -1.72 0.00 0.00 179.24 178.49 3e64 h TYR 940 N 0.62 0.15 -0.25 4.55 3.20 -0.91 -0.48 116.97 123.87 3e64 h TYR 940 Ca 0.13 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 3e64 h TYR 940 Cb 0.42 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3e64 h TYR 940 CO 0.03 0.08 -0.45 1.25 -1.64 0.00 0.00 178.16 177.43 3e64 h LEU 941 N 0.19 0.67 -1.13 2.82 5.85 -0.86 -1.62 115.31 121.24 3e64 h LEU 941 Ca 0.09 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3e64 h LEU 941 Cb 0.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3e64 h LEU 941 CO -0.09 1.02 0.07 -0.61 -0.34 0.00 0.00 178.44 178.50 3e64 h GLN 942 N 0.50 0.68 0.46 1.25 4.15 -1.08 0.37 115.11 121.44 3e64 h GLN 942 Ca 0.03 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3e64 h GLN 942 Cb 0.98 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3e64 h GLN 942 CO 0.09 0.65 -0.22 -0.22 -1.93 0.00 0.00 178.83 177.20 3e64 h LYS 943 N 0.66 -0.59 0.00 1.69 3.64 -0.88 -3.37 116.57 117.71 3e64 h LYS 943 Ca 0.14 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3e64 h LYS 943 Cb 0.31 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3e64 h LYS 943 CO 0.00 -0.33 -0.89 0.45 -2.27 0.00 0.00 179.45 176.42 3e64 h HIS 944 N -1.09 0.00 0.00 1.91 3.86 -1.29 -3.49 115.15 115.04 3e64 h HIS 944 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3e64 h HIS 944 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3e64 h HIS 944 CO 0.01 0.07 0.00 1.63 0.86 0.00 0.00 177.93 180.50 3e64 n LYS 945 N -2.77 0.00 0.00 2.45 5.02 0.13 -1.80 118.16 121.18 3e64 n LYS 945 Ca -0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 3e64 n LYS 945 Cb 0.58 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.72 3e64 n LYS 945 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3e64 n GLU 946 N 14.00 0.05 0.30 1.97 4.71 -1.26 -1.26 120.64 139.15 3e64 n GLU 946 Ca 0.00 0.29 0.19 0.00 -0.01 0.00 0.00 57.16 57.64 3e64 n GLU 946 Cb 0.00 -1.50 0.90 0.00 -1.01 0.00 0.00 31.44 29.83 3e64 n GLU 946 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3e64 h ARG 947 N 0.00 0.00 -5.79 3.49 -0.00 -1.76 -3.35 114.38 106.97 3e64 h ARG 947 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 58.86 3e64 h ARG 947 Cb 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 29.91 3e64 h ARG 947 CO 0.00 0.00 0.39 0.42 0.00 0.00 0.00 179.97 180.78 3e64 s ILE 948 N -3.85 4.60 0.81 2.04 -1.09 -0.39 -5.06 121.20 118.26 3e64 s ILE 948 Ca -0.01 0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 58.70 3e64 s ILE 948 Cb 0.11 -4.36 0.11 0.00 -1.58 0.00 0.00 42.46 36.73 3e64 s ILE 948 CO 0.48 -0.79 1.15 1.51 -1.23 0.00 0.00 174.94 176.06 3e64 s ASP 949 N 2.27 4.21 0.36 3.58 1.47 -1.26 -4.79 116.67 122.52 3e64 s ASP 949 Ca 0.30 0.45 0.04 0.00 1.18 0.00 0.00 52.55 54.52 3e64 s ASP 949 Cb -0.12 -0.86 0.70 0.00 -0.34 0.00 0.00 42.92 42.30 3e64 s ASP 949 CO 0.22 -2.04 2.00 0.45 0.68 0.00 0.00 175.17 176.49 3e64 h HIS 950 N -1.03 0.75 -0.30 2.11 3.86 -1.97 -0.23 115.15 118.33 3e64 h HIS 950 Ca -0.44 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.81 3e64 h HIS 950 Cb 1.29 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 3e64 h HIS 950 CO -0.12 0.45 0.13 0.82 0.86 0.00 0.00 177.93 180.06 3e64 h ILE 951 N 0.79 0.95 -0.15 2.45 2.04 -1.99 -0.22 117.51 121.37 3e64 h ILE 951 Ca 0.25 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3e64 h ILE 951 Cb 0.02 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3e64 h ILE 951 CO -0.06 0.05 0.06 0.50 0.00 0.00 0.00 178.15 178.70 3e64 h LYS 952 N 0.27 0.23 -0.85 2.37 1.63 -1.67 -1.97 116.57 116.58 3e64 h LYS 952 Ca 0.13 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.99 3e64 h LYS 952 Cb 0.08 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 3e64 h LYS 952 CO -0.12 0.31 0.50 -0.07 -3.45 0.00 0.00 179.45 176.62 3e64 h LEU 953 N 0.10 0.72 -0.75 5.20 3.38 -0.82 -1.67 115.31 121.47 3e64 h LEU 953 Ca 0.05 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3e64 h LEU 953 Cb 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3e64 h LEU 953 CO -0.00 0.41 -0.61 -0.07 0.09 0.00 0.00 178.44 178.26 3e64 h LEU 954 N 0.83 0.00 -0.25 1.67 3.38 -0.97 -0.45 115.31 119.52 3e64 h LEU 954 Ca 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 3e64 h LEU 954 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3e64 h LEU 954 CO -0.24 0.61 0.14 -0.61 0.09 0.00 0.00 178.44 178.43 3e64 h GLN 955 N 0.00 0.35 -0.76 1.13 4.15 -0.72 -0.65 115.11 118.61 3e64 h GLN 955 Ca -0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3e64 h GLN 955 Cb 1.10 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.69 3e64 h GLN 955 CO 0.08 0.30 0.38 1.88 -1.93 0.00 0.00 178.83 179.54 3e64 h TYR 956 N 0.30 1.08 -0.17 3.99 0.99 -1.06 -1.71 116.97 120.38 3e64 h TYR 956 Ca 0.09 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.78 3e64 h TYR 956 Cb 0.05 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 37.43 3e64 h TYR 956 CO -0.04 0.78 0.10 1.15 -0.00 0.00 0.00 178.16 180.15 3e64 h THR 957 N 1.06 1.01 -0.72 -2.88 2.02 -0.83 -0.54 112.91 112.03 3e64 h THR 957 Ca 0.26 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.40 3e64 h THR 957 Cb 0.10 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3e64 h THR 957 CO -0.04 0.04 0.46 -1.28 0.37 0.00 0.00 175.52 175.07 3e64 h SER 958 N 0.20 0.77 -0.43 4.18 0.87 -0.89 -0.28 113.55 117.98 3e64 h SER 958 Ca 0.07 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3e64 h SER 958 Cb 0.00 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3e64 h SER 958 CO -0.04 0.54 0.00 1.56 -0.53 0.00 0.00 176.83 178.36 3e64 h GLN 959 N 0.91 0.76 -0.37 2.24 4.20 -0.89 -0.42 115.11 121.54 3e64 h GLN 959 Ca 0.28 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3e64 h GLN 959 Cb -0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3e64 h GLN 959 CO -0.10 0.83 0.24 0.82 -0.67 0.00 0.00 178.83 179.95 3e64 h ILE 960 N 0.60 1.07 -0.73 2.54 2.04 -0.90 -0.54 117.51 121.60 3e64 h ILE 960 Ca 0.12 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3e64 h ILE 960 Cb 0.49 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3e64 h ILE 960 CO 0.02 0.09 0.42 0.00 0.00 0.00 0.00 178.15 178.68 3e64 h LYS 962 N 0.75 0.68 -0.61 0.00 1.57 -0.73 0.69 116.57 118.92 3e64 h LYS 962 Ca 0.33 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3e64 h LYS 962 Cb 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3e64 h LYS 962 CO -0.20 0.85 0.39 0.78 -0.57 0.00 0.00 179.45 180.70 3e64 h GLY 963 N 0.46 0.86 1.02 3.86 0.00 -0.85 -1.62 103.07 106.81 3e64 h GLY 963 Ca 0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3e64 h GLY 963 CO 0.04 0.27 -0.06 -0.33 0.00 0.00 0.00 176.54 176.46 3e64 h MET 964 N 0.77 0.88 -0.47 4.80 2.86 -1.00 -1.37 114.93 121.41 3e64 h MET 964 Ca 0.24 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3e64 h MET 964 Cb -0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3e64 h MET 964 CO -0.08 0.95 0.28 1.49 1.06 0.00 0.00 176.91 180.62 3e64 h GLU 965 N 0.73 0.55 -0.33 1.72 4.22 -0.68 -0.82 114.58 119.97 3e64 h GLU 965 Ca 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.54 3e64 h GLU 965 Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3e64 h GLU 965 CO 0.04 0.36 0.21 -0.92 -2.18 0.00 0.00 179.01 176.51 3e64 h TYR 966 N 0.56 0.42 -0.85 0.92 3.20 -1.17 -2.27 116.97 117.78 3e64 h TYR 966 Ca 0.18 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.18 3e64 h TYR 966 Cb 0.01 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.05 3e64 h TYR 966 CO -0.07 0.29 0.47 1.25 -1.64 0.00 0.00 178.16 178.46 3e64 h LEU 967 N 0.43 0.62 -1.25 2.82 5.85 -0.90 -2.16 115.31 120.73 3e64 h LEU 967 Ca 0.12 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3e64 h LEU 967 Cb -0.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3e64 h LEU 967 CO -0.02 0.31 -0.37 1.23 -0.34 0.00 0.00 178.44 179.24 3e64 h GLY 968 N 0.72 0.00 2.00 3.75 0.00 -0.61 -2.15 103.07 106.77 3e64 h GLY 968 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 3e64 h GLY 968 CO -0.31 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 175.27 3e64 h THR 969 N 0.00 0.20 -0.37 4.70 1.35 -0.85 -0.99 112.91 116.96 3e64 h THR 969 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3e64 h THR 969 Cb 0.67 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3e64 h THR 969 CO 0.05 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 175.66 3e64 n LYS 970 N -3.27 2.19 -2.95 4.72 5.02 -0.83 -4.94 118.16 118.10 3e64 n LYS 970 Ca -0.01 -1.81 -0.22 0.00 -2.02 0.00 0.00 58.31 54.24 3e64 n LYS 970 Cb 0.22 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3e64 n LYS 970 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3e64 n ARG 971 N 1.01 -4.56 -3.84 1.97 1.74 -0.38 -4.91 116.66 107.69 3e64 n ARG 971 Ca 0.18 0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 57.82 3e64 n ARG 971 Cb 0.47 -5.77 -0.06 0.00 -1.02 0.00 0.00 32.46 26.08 3e64 n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3e64 s TYR 972 N -3.17 3.60 -0.19 -1.55 4.12 -1.10 -1.14 117.35 117.92 3e64 s TYR 972 Ca 0.27 0.55 -0.02 0.00 0.02 0.00 0.00 57.07 57.90 3e64 s TYR 972 Cb -0.12 -1.96 -0.00 0.00 -1.52 0.00 0.00 41.96 38.36 3e64 s TYR 972 CO 0.33 0.71 -0.11 0.42 0.02 0.00 0.00 175.55 176.93 3e64 s ILE 973 N -1.08 2.90 0.02 2.71 -1.09 0.70 -4.23 121.20 121.11 3e64 s ILE 973 Ca 0.18 -0.66 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 3e64 s ILE 973 Cb -0.13 -2.28 -0.19 0.00 -1.58 0.00 0.00 42.46 38.29 3e64 s ILE 973 CO 0.07 0.48 1.20 -0.74 -1.23 0.00 0.00 174.94 174.71 3e64 h HIS 974 N 7.83 0.51 0.00 3.97 2.76 -1.88 -0.11 115.15 128.24 3e64 h HIS 974 Ca -0.40 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 3e64 h HIS 974 Cb 1.16 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.04 3e64 h HIS 974 CO 0.54 0.97 0.00 0.54 -1.30 0.00 0.00 177.93 178.68 3e64 n ARG 975 N -4.38 0.00 -1.13 5.26 1.74 -1.26 -3.18 116.66 113.70 3e64 n ARG 975 Ca -0.08 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.01 3e64 n ARG 975 Cb 0.52 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.23 3e64 n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3e64 n ASP 976 N 0.00 0.48 -4.65 0.55 2.03 -1.26 -4.89 116.55 108.82 3e64 n ASP 976 Ca 0.00 -1.95 -0.42 0.00 0.52 0.00 0.00 54.79 52.93 3e64 n ASP 976 Cb 0.00 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 3e64 n ASP 976 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3e64 s LEU 977 N 0.00 4.20 0.04 -2.67 2.96 -1.26 -4.82 118.68 117.13 3e64 s LEU 977 Ca 0.20 2.16 -0.26 0.00 -0.22 0.00 0.00 54.13 56.01 3e64 s LEU 977 Cb 0.23 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.45 3e64 s LEU 977 CO -0.10 -1.08 0.60 0.00 -1.32 0.00 0.00 176.35 174.46 3e64 s ALA 978 N 4.60 -1.57 0.58 5.97 0.00 -1.26 -4.77 121.76 125.32 3e64 s ALA 978 Ca 0.77 0.85 0.28 0.00 0.00 0.00 0.00 51.96 53.86 3e64 s ALA 978 Cb -0.33 0.37 1.74 0.00 0.00 0.00 0.00 23.12 24.90 3e64 s ALA 978 CO 0.32 -0.53 2.20 1.79 0.00 0.00 0.00 175.76 179.55 3e64 h THR 979 N 2.66 0.55 0.00 0.00 1.35 -1.92 -0.39 112.91 115.15 3e64 h THR 979 Ca -0.30 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 3e64 h THR 979 Cb 1.21 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3e64 h THR 979 CO 0.39 0.00 -0.12 0.08 -0.25 0.00 0.00 175.52 175.63 3e64 h ARG 980 N 0.00 0.00 -0.30 4.72 0.11 -1.95 -2.58 114.38 114.37 3e64 h ARG 980 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3e64 h ARG 980 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3e64 h ARG 980 CO -0.00 0.12 0.00 0.09 0.10 0.00 0.00 179.97 180.28 3e64 n ASN 981 N -3.63 2.67 -4.53 0.08 3.02 -0.16 -4.82 115.26 107.89 3e64 n ASN 981 Ca -0.02 -1.88 -0.33 0.00 -0.03 0.00 0.00 54.58 52.32 3e64 n ASN 981 Cb 0.24 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.10 3e64 n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3e64 s ILE 982 N -1.61 3.45 0.14 2.41 -1.09 -1.03 -0.09 121.20 123.37 3e64 s ILE 982 Ca 0.35 -0.57 0.10 0.00 -2.23 0.00 0.00 60.65 58.30 3e64 s ILE 982 Cb 0.20 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 3e64 s ILE 982 CO 0.29 0.59 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.63 3e64 s LEU 983 N -0.71 2.62 -0.31 2.97 1.43 0.86 0.19 118.68 125.72 3e64 s LEU 983 Ca 0.11 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 3e64 s LEU 983 Cb -0.11 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3e64 s LEU 983 CO 0.01 0.16 0.12 -0.69 0.23 0.00 0.00 176.35 176.18 3e64 s VAL 984 N -1.27 4.31 -0.06 -1.59 1.01 0.85 -0.64 120.40 123.01 3e64 s VAL 984 Ca 0.18 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 3e64 s VAL 984 Cb -0.10 -3.21 -0.26 0.00 0.00 0.00 0.00 36.38 32.80 3e64 s VAL 984 CO 0.10 0.06 0.94 -0.08 0.00 0.00 0.00 175.10 176.12 3e64 h GLU 985 N 8.30 0.19 -3.23 2.72 4.81 -1.36 -2.62 114.58 123.39 3e64 h GLU 985 Ca -0.32 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 3e64 h GLU 985 Cb 1.14 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3e64 h GLU 985 CO 0.61 1.05 0.17 0.54 -0.73 0.00 0.00 179.01 180.65 3e64 s ASN 986 N -6.52 0.16 0.57 1.04 2.20 -1.18 -4.34 114.94 106.87 3e64 s ASN 986 Ca -0.16 -1.17 0.32 0.00 -0.94 0.00 0.00 52.86 50.91 3e64 s ASN 986 Cb 0.00 0.80 1.45 0.00 -2.00 0.00 0.00 41.25 41.51 3e64 s ASN 986 CO 0.76 -1.58 1.80 -0.08 -2.94 0.00 0.00 177.10 175.06 3e64 h GLU 987 N 2.03 0.00 -0.15 3.55 4.81 -2.03 -2.50 114.58 120.29 3e64 h GLU 987 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3e64 h GLU 987 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3e64 h GLU 987 CO 0.39 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.76 3e64 n ASN 988 N -3.93 2.54 -3.70 1.04 5.03 -1.26 -4.99 115.26 110.00 3e64 n ASN 988 Ca 0.18 -1.73 -0.11 0.00 0.87 0.00 0.00 54.58 53.78 3e64 n ASN 988 Cb 1.01 -0.09 -0.12 0.00 -1.02 0.00 0.00 39.78 39.57 3e64 n ASN 988 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3e64 s ARG 989 N -1.18 0.29 0.24 3.52 3.52 -0.94 -4.98 118.95 119.42 3e64 s ARG 989 Ca 0.21 0.72 0.10 0.00 -0.13 0.00 0.00 55.73 56.63 3e64 s ARG 989 Cb 0.14 -0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3e64 s ARG 989 CO 0.20 -0.19 -0.05 0.14 -0.81 0.00 0.00 175.30 174.59 3e64 s VAL 990 N 1.61 3.27 0.00 7.11 -7.23 -1.26 -0.96 120.40 122.94 3e64 s VAL 990 Ca -0.07 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3e64 s VAL 990 Cb -0.10 -2.71 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 3e64 s VAL 990 CO -0.11 -0.31 0.00 -0.54 -0.31 0.00 0.00 175.10 173.84 3e64 s LYS 991 N -3.42 0.07 0.16 4.82 1.02 0.19 -4.57 119.74 118.00 3e64 s LYS 991 Ca 0.29 -0.10 -0.31 0.00 0.02 0.00 0.00 55.97 55.87 3e64 s LYS 991 Cb -0.07 0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.17 3e64 s LYS 991 CO 0.18 -0.01 1.62 0.42 -0.92 0.00 0.00 175.35 176.64 3e64 s ILE 992 N -0.27 2.59 -0.20 2.17 1.01 0.06 -0.10 121.20 126.45 3e64 s ILE 992 Ca -0.03 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.01 3e64 s ILE 992 Cb -0.02 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3e64 s ILE 992 CO -0.00 0.02 0.30 0.61 0.00 0.00 0.00 174.94 175.87 3e64 n GLY 993 N 3.85 -0.05 3.17 6.18 0.00 0.87 -1.05 105.19 118.17 3e64 n GLY 993 Ca 0.15 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3e64 n GLY 993 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3e64 s ASP 994 N -0.81 -0.23 -0.07 1.61 2.15 -1.21 -4.93 116.67 113.18 3e64 s ASP 994 Ca 0.02 0.37 0.19 0.00 0.43 0.00 0.00 52.55 53.56 3e64 s ASP 994 Cb 0.02 0.47 0.39 0.00 -0.30 0.00 0.00 42.92 43.50 3e64 s ASP 994 CO 0.07 -0.20 1.17 0.49 -0.17 0.00 0.00 175.17 176.53 3e64 n PHE 995 N 2.41 0.00 0.29 -5.34 3.72 -1.26 -4.89 117.46 112.39 3e64 n PHE 995 Ca -0.16 -0.79 0.17 0.00 -0.05 0.00 0.00 57.45 56.62 3e64 n PHE 995 Cb 0.57 -0.17 0.89 0.00 -0.94 0.00 0.00 39.48 39.83 3e64 n PHE 995 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3e64 h GLY 996 N 0.89 0.00 -0.93 1.37 0.00 -1.96 -2.41 103.07 100.02 3e64 h GLY 996 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3e64 h GLY 996 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.64 3e64 n LEU 997 N -3.40 2.30 -4.73 3.11 4.77 -1.26 -5.03 117.00 112.76 3e64 n LEU 997 Ca -0.02 -1.51 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 3e64 n LEU 997 Cb 0.18 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3e64 n LEU 997 CO 0.26 0.53 1.09 -0.89 -1.33 0.00 0.00 177.39 177.05 3e64 s THR 998 N -0.90 2.99 0.03 -5.08 2.01 -0.91 -4.60 115.64 109.18 3e64 s THR 998 Ca 0.16 0.76 0.07 0.00 0.31 0.00 0.00 61.69 62.98 3e64 s THR 998 Cb 0.09 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3e64 s THR 998 CO 0.13 0.09 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.41 3e64 s LYS 999 N 0.47 1.36 0.08 4.92 -0.14 -0.05 -4.92 119.74 121.46 3e64 s LYS 999 Ca 0.63 -0.85 -0.24 0.00 -1.36 0.00 0.00 55.97 54.15 3e64 s LYS 999 Cb -0.39 -1.42 -0.06 0.00 -1.68 0.00 0.00 37.83 34.27 3e64 s LYS 999 CO 0.35 0.37 0.72 0.54 -0.76 0.00 0.00 175.35 176.57 3e64 s VAL 1000N -0.72 4.63 0.40 3.17 0.11 -1.26 -0.22 120.40 126.52 3e64 s VAL 1000Ca 0.07 1.54 -0.26 0.00 -2.93 0.00 0.00 61.98 60.39 3e64 s VAL 1000Cb -0.08 -4.07 -0.09 0.00 -1.53 0.00 0.00 36.38 30.61 3e64 s VAL 1000CO 0.01 0.45 1.33 -0.76 -3.33 0.00 0.00 175.10 172.80 3e64 s LEU 1001N -0.60 4.22 0.64 2.54 1.43 -0.30 -4.96 118.68 121.67 3e64 s LEU 1001Ca 0.35 2.71 -0.18 0.00 -1.03 0.00 0.00 54.13 55.99 3e64 s LEU 1001Cb -0.21 -3.87 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 3e64 s LEU 1001CO 0.23 -0.87 1.17 -2.65 0.23 0.00 0.00 176.35 174.46 3e64 n PRO 1002N 0.16 0.99 -0.33 1.29 -0.02 -1.26 -4.91 135.00 130.92 3e64 n PRO 1002Ca 0.03 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3e64 n PRO 1002Cb 0.43 -2.41 0.31 0.00 -0.02 0.00 0.00 33.50 31.81 3e64 n PRO 1002CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3e64 h GLN 1003N 0.42 0.64 -0.40 -0.52 -0.00 -2.01 -2.84 115.11 110.41 3e64 h GLN 1003Ca -0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 3e64 h GLN 1003Cb 1.35 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 3e64 h GLN 1003CO 0.52 0.42 0.00 -0.40 -0.00 0.00 0.00 178.83 179.37 3e64 n ASP 1004N -4.84 3.64 -4.16 0.06 5.75 -1.26 -4.98 116.55 110.76 3e64 n ASP 1004Ca 0.22 -2.40 -0.16 0.00 -0.01 0.00 0.00 54.79 52.45 3e64 n ASP 1004Cb 0.58 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 40.15 3e64 n ASP 1004CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3e64 s LYS 1005N -1.72 0.81 -0.31 0.11 -0.14 -1.07 -5.28 119.74 112.14 3e64 s LYS 1005Ca 0.36 -1.05 0.10 0.00 -1.36 0.00 0.00 55.97 54.01 3e64 s LYS 1005Cb 0.24 -0.61 0.68 0.00 -1.68 0.00 0.00 37.83 36.45 3e64 s LYS 1005CO 0.16 0.11 1.72 0.39 -0.76 0.00 0.00 175.35 176.98 3e64 n GLU 1006N 0.88 3.26 -3.64 1.68 -0.58 -1.26 -4.41 120.64 116.57 3e64 n GLU 1006Ca -0.18 -3.07 -0.02 0.00 -0.42 0.00 0.00 57.16 53.46 3e64 n GLU 1006Cb 0.56 -2.11 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 3e64 n GLU 1006CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3e64 s LYS 1009N -3.03 0.60 -0.15 3.49 2.20 -1.26 -4.48 119.74 117.11 3e64 s LYS 1009Ca 0.52 1.37 -0.24 0.00 -0.36 0.00 0.00 55.97 57.26 3e64 s LYS 1009Cb 0.43 0.68 -0.02 0.00 -1.51 0.00 0.00 37.83 37.40 3e64 s LYS 1009CO 0.11 -0.18 0.78 0.08 -0.36 0.00 0.00 175.35 175.78 3e64 s VAL 1010N 2.56 4.93 -0.10 4.02 1.01 -0.73 -4.98 120.40 127.11 3e64 s VAL 1010Ca -0.07 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.29 3e64 s VAL 1010Cb -0.10 -4.10 -0.27 0.00 0.00 0.00 0.00 36.38 31.91 3e64 s VAL 1010CO -0.19 0.09 0.59 0.11 0.00 0.00 0.00 175.10 175.70 3e64 h LYS 1011N 7.22 0.24 -3.17 2.72 1.57 -1.97 -3.43 116.57 119.76 3e64 h LYS 1011Ca -0.32 -0.41 -0.63 0.00 -1.87 0.00 0.00 60.65 57.42 3e64 h LYS 1011Cb 1.15 0.15 -0.41 0.00 0.08 0.00 0.00 32.23 33.20 3e64 h LYS 1011CO 0.81 1.20 -0.67 -1.21 -0.57 0.00 0.00 179.45 179.00 3e64 s GLU 1012N -2.46 1.78 0.32 3.15 0.41 -1.26 -5.11 118.70 115.54 3e64 s GLU 1012Ca -0.19 -2.51 -0.29 0.00 -0.41 0.00 0.00 54.97 51.56 3e64 s GLU 1012Cb 0.04 -2.94 -0.11 0.00 -1.78 0.00 0.00 34.13 29.33 3e64 s GLU 1012CO 0.77 -1.16 1.57 -2.14 -0.49 0.00 0.00 175.26 173.80 3e64 s PRO 1013N -0.24 4.11 0.00 0.39 0.02 -1.26 -5.03 135.00 132.98 3e64 s PRO 1013Ca 0.19 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3e64 s PRO 1013Cb -0.21 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3e64 s PRO 1013CO -0.03 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 3e64 n GLY 1014N 1.61 1.15 3.68 0.52 0.00 -1.26 -5.00 105.19 105.89 3e64 n GLY 1014Ca 0.06 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3e64 n GLY 1014CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3e64 n GLU 1015N 0.00 2.54 -4.91 1.61 2.13 -1.26 -4.97 120.64 115.78 3e64 n GLU 1015Ca 0.00 0.92 -0.29 0.00 0.66 0.00 0.00 57.16 58.46 3e64 n GLU 1015Cb 0.00 -2.79 -0.17 0.00 0.27 0.00 0.00 31.44 28.76 3e64 n GLU 1015CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3e64 s SER 1016N 2.73 2.48 -1.46 4.31 0.01 -1.26 -5.04 113.70 115.46 3e64 s SER 1016Ca 0.84 -0.44 -0.14 0.00 1.31 0.00 0.00 55.95 57.52 3e64 s SER 1016Cb -0.56 -1.14 0.04 0.00 0.21 0.00 0.00 66.02 64.56 3e64 s SER 1016CO 0.41 0.10 2.26 -0.81 0.41 0.00 0.00 173.24 175.60 3e64 n PRO 1017N 3.67 2.92 0.14 12.44 -0.04 -1.26 -4.78 135.00 148.10 3e64 n PRO 1017Ca -0.21 -2.61 0.15 0.00 -0.04 0.00 0.00 63.50 60.79 3e64 n PRO 1017Cb 0.52 -3.25 0.70 0.00 -0.04 0.00 0.00 33.50 31.43 3e64 n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3e64 h ILE 1018N 3.94 0.80 0.00 0.52 3.07 -1.96 -0.59 117.51 123.28 3e64 h ILE 1018Ca 0.58 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.99 3e64 h ILE 1018Cb 0.62 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 3e64 h ILE 1018CO 1.88 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.47 3e64 n PHE 1019N -4.35 0.00 0.48 0.16 3.01 -1.26 -1.98 117.46 113.52 3e64 n PHE 1019Ca 0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.55 3e64 n PHE 1019Cb 0.34 -0.21 0.03 0.00 -0.01 0.00 0.00 39.48 39.63 3e64 n PHE 1019CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3e64 n TRP 1020N -1.21 0.00 -2.93 1.38 8.01 -0.23 -4.86 117.44 117.59 3e64 n TRP 1020Ca 0.12 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.91 3e64 n TRP 1020Cb 0.15 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.40 3e64 n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3e64 s TYR 1021N -1.09 3.78 0.68 -5.99 1.51 -0.84 -3.96 117.35 111.45 3e64 s TYR 1021Ca 0.12 1.56 -0.17 0.00 -1.01 0.00 0.00 57.07 57.58 3e64 s TYR 1021Cb 0.09 -2.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 3e64 s TYR 1021CO 0.18 0.30 1.19 0.00 -1.11 0.00 0.00 175.55 176.11 3e64 n ALA 1022N 2.59 0.61 -0.21 3.71 0.00 -1.26 -4.84 120.51 121.11 3e64 n ALA 1022Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3e64 n ALA 1022Cb 0.50 -2.25 0.12 0.00 0.00 0.00 0.00 19.45 17.82 3e64 n ALA 1022CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3e64 h PRO 1023N 0.14 0.36 0.00 0.00 0.11 -1.93 -1.40 132.00 129.28 3e64 h PRO 1023Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3e64 h PRO 1023Cb 1.34 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3e64 h PRO 1023CO 0.50 0.24 -0.12 1.05 -0.21 0.00 0.00 178.00 179.46 3e64 h GLU 1024N 0.37 0.00 -0.23 1.05 9.09 -1.92 0.09 114.58 123.03 3e64 h GLU 1024Ca 0.33 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.55 3e64 h GLU 1024Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 3e64 h GLU 1024CO -0.36 0.12 -0.59 0.77 0.05 0.00 0.00 179.01 179.00 3e64 h SER 1025N 0.00 0.92 -0.46 3.06 0.02 -1.30 -1.07 113.55 114.72 3e64 h SER 1025Ca -0.00 -0.57 -0.08 0.00 -0.84 0.00 0.00 61.79 60.30 3e64 h SER 1025Cb 0.49 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3e64 h SER 1025CO 0.02 1.32 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.93 3e64 h LEU 1026N 0.56 0.83 0.17 5.07 3.38 -0.60 -2.00 115.31 122.72 3e64 h LEU 1026Ca -0.01 -0.32 -0.33 0.00 0.09 0.00 0.00 57.88 57.32 3e64 h LEU 1026Cb 1.21 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.74 3e64 h LEU 1026CO 0.13 0.95 -1.62 0.71 0.09 0.00 0.00 178.44 178.70 3e64 h THR 1027N 0.68 0.99 0.00 0.22 1.35 -1.09 -3.40 112.91 111.66 3e64 h THR 1027Ca 0.13 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 3e64 h THR 1027Cb 0.54 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 3e64 h THR 1027CO 0.03 0.81 0.00 -0.62 -0.25 0.00 0.00 175.52 175.49 3e64 n GLU 1028N -3.71 0.54 -3.31 4.72 1.02 -0.43 -5.01 120.64 114.47 3e64 n GLU 1028Ca -0.24 -0.86 -0.23 0.00 -0.02 0.00 0.00 57.16 55.81 3e64 n GLU 1028Cb 1.02 -0.97 0.01 0.00 -0.02 0.00 0.00 31.44 31.47 3e64 n GLU 1028CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3e64 n SER 1029N -0.19 -4.29 -4.72 1.62 7.64 -0.75 -4.81 113.62 108.12 3e64 n SER 1029Ca 0.00 -0.39 -0.36 0.00 1.01 0.00 0.00 58.87 59.13 3e64 n SER 1029Cb 0.11 -3.52 -0.07 0.00 -1.01 0.00 0.00 64.21 59.72 3e64 n SER 1029CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3e64 s LYS 1030N -5.97 4.25 -0.04 1.43 1.02 -1.09 -1.78 119.74 117.56 3e64 s LYS 1030Ca 0.39 0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.51 3e64 s LYS 1030Cb -0.20 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.67 3e64 s LYS 1030CO 0.48 0.21 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.90 3e64 s PHE 1031N 0.56 1.58 0.31 3.18 0.40 -1.26 -3.42 117.98 119.33 3e64 s PHE 1031Ca 0.16 -0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 3e64 s PHE 1031Cb -0.13 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.35 3e64 s PHE 1031CO 0.04 -0.14 0.60 -1.54 0.70 0.00 0.00 175.22 174.88 3e64 s SER 1032N 0.02 0.15 0.26 1.36 1.04 -1.26 -4.77 113.70 110.49 3e64 s SER 1032Ca -0.03 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 3e64 s SER 1032Cb -0.11 0.70 0.51 0.00 0.10 0.00 0.00 66.02 67.23 3e64 s SER 1032CO 0.02 -1.36 1.78 0.58 0.98 0.00 0.00 173.24 175.23 3e64 h VAL 1033N 2.11 0.79 -0.60 5.02 2.07 -1.91 -1.76 116.25 121.97 3e64 h VAL 1033Ca -0.27 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3e64 h VAL 1033Cb 1.25 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3e64 h VAL 1033CO 0.35 0.13 0.33 0.00 0.02 0.00 0.00 177.57 178.40 3e64 h ALA 1034N 1.53 1.45 -0.01 1.67 0.00 -1.91 0.01 119.26 122.00 3e64 h ALA 1034Ca 0.46 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 3e64 h ALA 1034Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3e64 h ALA 1034CO -0.32 0.45 -0.70 0.66 0.00 0.00 0.00 179.25 179.34 3e64 h SER 1035N 0.83 0.05 -0.92 0.00 4.64 -1.72 -2.09 113.55 114.34 3e64 h SER 1035Ca 0.21 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3e64 h SER 1035Cb 0.02 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3e64 h SER 1035CO -0.04 0.73 0.53 0.44 -0.87 0.00 0.00 176.83 177.63 3e64 h ASP 1036N 0.03 1.13 -0.54 4.97 3.32 -0.50 -1.55 116.42 123.28 3e64 h ASP 1036Ca -0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3e64 h ASP 1036Cb 1.24 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3e64 h ASP 1036CO 0.09 0.88 0.24 0.58 -1.72 0.00 0.00 179.24 179.32 3e64 h VAL 1037N 1.28 1.21 -0.28 -1.35 2.07 -0.78 0.23 116.25 118.62 3e64 h VAL 1037Ca 0.33 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3e64 h VAL 1037Cb -0.01 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3e64 h VAL 1037CO -0.06 0.24 -0.14 -0.25 0.02 0.00 0.00 177.57 177.38 3e64 h TRP 1038N 0.72 -0.34 -0.97 1.57 2.91 -1.10 -1.81 115.95 116.94 3e64 h TRP 1038Ca 0.18 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 3e64 h TRP 1038Cb 0.15 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.94 3e64 h TRP 1038CO -0.00 -0.21 0.60 0.77 -1.03 0.00 0.00 178.44 178.57 3e64 h SER 1039N -0.10 1.15 -0.88 2.65 0.02 -0.89 -1.76 113.55 113.74 3e64 h SER 1039Ca 0.15 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 3e64 h SER 1039Cb 0.32 -0.29 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 3e64 h SER 1039CO -0.35 0.87 0.52 0.15 -1.14 0.00 0.00 176.83 176.88 3e64 h PHE 1040N 1.33 0.94 -0.80 3.45 3.57 -0.39 -0.59 116.94 124.45 3e64 h PHE 1040Ca 0.35 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.96 3e64 h PHE 1040Cb -0.08 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.30 3e64 h PHE 1040CO 0.00 0.38 0.47 0.78 -2.23 0.00 0.00 178.31 177.71 3e64 h GLY 1041N 0.85 1.22 0.99 2.40 0.00 -0.50 0.69 103.07 108.73 3e64 h GLY 1041Ca 0.43 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3e64 h GLY 1041CO -0.26 0.17 0.19 -2.08 0.00 0.00 0.00 176.54 174.56 3e64 h VAL 1042N 0.82 1.23 -0.66 4.60 2.07 -0.96 -1.44 116.25 121.92 3e64 h VAL 1042Ca 0.37 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3e64 h VAL 1042Cb 0.28 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3e64 h VAL 1042CO -0.22 0.29 0.38 0.58 0.02 0.00 0.00 177.57 178.63 3e64 h VAL 1043N 0.79 1.02 -0.82 2.57 2.07 -0.43 0.95 116.25 122.41 3e64 h VAL 1043Ca 0.18 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3e64 h VAL 1043Cb 0.26 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3e64 h VAL 1043CO -0.01 0.13 0.51 0.25 0.02 0.00 0.00 177.57 178.47 3e64 h LEU 1044N 0.73 0.97 -0.15 2.57 5.85 -0.59 -0.41 115.31 124.28 3e64 h LEU 1044Ca 0.28 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3e64 h LEU 1044Cb 0.11 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3e64 h LEU 1044CO -0.14 0.74 0.01 0.22 -0.34 0.00 0.00 178.44 178.93 3e64 h TYR 1045N 1.12 0.02 -0.32 1.25 3.20 -0.67 -1.99 116.97 119.58 3e64 h TYR 1045Ca 0.30 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.25 3e64 h TYR 1045Cb -0.07 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 3e64 h TYR 1045CO -0.01 -0.00 -0.15 0.93 -1.64 0.00 0.00 178.16 177.29 3e64 h GLU 1046N 0.07 -0.10 -0.40 1.82 5.08 0.03 -1.54 114.58 119.54 3e64 h GLU 1046Ca 0.07 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3e64 h GLU 1046Cb 0.08 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3e64 h GLU 1046CO -0.11 -0.07 0.02 -0.07 -1.00 0.00 0.00 179.01 177.79 3e64 h LEU 1047N -0.10 -0.12 0.00 1.33 3.38 -0.93 -2.54 115.31 116.33 3e64 h LEU 1047Ca 0.16 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3e64 h LEU 1047Cb 0.35 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3e64 h LEU 1047CO -0.38 -0.03 0.00 0.49 0.09 0.00 0.00 178.44 178.61 3e64 n PHE 1048N -5.17 0.00 1.03 1.13 3.01 -0.76 -1.88 117.46 114.82 3e64 n PHE 1048Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.60 3e64 n PHE 1048Cb 0.21 -0.25 0.06 0.00 -0.01 0.00 0.00 39.48 39.49 3e64 n PHE 1048CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3e64 n THR 1049N -1.25 0.00 -2.68 4.37 -2.24 -0.64 -4.70 114.28 107.14 3e64 n THR 1049Ca 0.15 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 3e64 n THR 1049Cb 0.22 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3e64 n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3e64 n TYR 1050N 0.31 -1.46 -3.04 4.78 4.01 -0.79 -2.04 117.16 118.92 3e64 n TYR 1050Ca 0.11 0.18 -0.22 0.00 -0.16 0.00 0.00 57.90 57.81 3e64 n TYR 1050Cb 0.49 -3.56 0.02 0.00 -0.31 0.00 0.00 39.34 35.99 3e64 n TYR 1050CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3e64 n ILE 1051N -3.91 -1.67 -2.06 -0.72 2.08 -1.14 -4.27 119.36 107.66 3e64 n ILE 1051Ca -0.15 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.73 3e64 n ILE 1051Cb 0.63 -3.01 -0.03 0.00 -0.75 0.00 0.00 39.64 36.48 3e64 n ILE 1051CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3e64 s GLU 1052N -5.71 4.15 0.24 0.38 2.12 -0.87 -4.90 118.70 114.11 3e64 s GLU 1052Ca 0.30 2.10 -0.05 0.00 0.36 0.00 0.00 54.97 57.67 3e64 s GLU 1052Cb -0.14 -3.97 0.39 0.00 0.26 0.00 0.00 34.13 30.67 3e64 s GLU 1052CO 0.37 -0.87 1.77 1.57 -0.54 0.00 0.00 175.26 177.56 3e64 h LYS 1053N 9.51 0.58 0.00 4.30 5.09 -1.91 0.56 116.57 134.70 3e64 h LYS 1053Ca -0.37 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 60.33 3e64 h LYS 1053Cb 1.17 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 33.37 3e64 h LYS 1053CO 0.96 0.39 -0.02 0.66 -2.09 0.00 0.00 179.45 179.35 3e64 h SER 1054N 0.60 0.00 -0.28 7.07 4.64 -2.00 -2.63 113.55 120.95 3e64 h SER 1054Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3e64 h SER 1054Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3e64 h SER 1054CO -0.30 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 175.97 3e64 n LYS 1055N -3.19 2.21 -1.82 4.77 4.76 0.14 -4.48 118.16 120.55 3e64 n LYS 1055Ca -0.02 -2.04 -0.37 0.00 -2.87 0.00 0.00 58.31 53.02 3e64 n LYS 1055Cb 0.18 -1.43 0.05 0.00 -1.84 0.00 0.00 35.03 31.99 3e64 n LYS 1055CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3e64 s SER 1056N -1.39 4.92 0.24 4.39 1.04 -0.92 -4.71 113.70 117.28 3e64 s SER 1056Ca 0.31 2.60 -0.05 0.00 0.48 0.00 0.00 55.95 59.30 3e64 s SER 1056Cb 0.19 -2.62 0.46 0.00 0.10 0.00 0.00 66.02 64.15 3e64 s SER 1056CO 0.27 -1.79 1.70 -0.65 0.98 0.00 0.00 173.24 173.75 3e64 h PRO 1057N 0.88 0.31 -0.51 4.02 0.11 -1.92 -0.13 132.00 134.76 3e64 h PRO 1057Ca -0.51 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3e64 h PRO 1057Cb 1.32 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3e64 h PRO 1057CO 0.55 0.21 0.26 -1.35 -0.21 0.00 0.00 178.00 177.45 3e64 h PRO 1058N 0.32 0.49 -0.53 1.05 0.11 -1.91 -0.89 132.00 130.64 3e64 h PRO 1058Ca 0.41 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.46 3e64 h PRO 1058Cb 0.68 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 3e64 h PRO 1058CO -0.47 0.32 0.22 0.00 -0.21 0.00 0.00 178.00 177.86 3e64 h ALA 1059N 1.27 0.69 -0.19 -0.75 0.00 -1.61 -1.63 119.26 117.05 3e64 h ALA 1059Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3e64 h ALA 1059Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3e64 h ALA 1059CO -0.16 0.29 -0.19 0.93 0.00 0.00 0.00 179.25 180.12 3e64 h GLU 1060N 0.72 0.46 -0.64 0.00 4.39 -0.87 -1.61 114.58 117.02 3e64 h GLU 1060Ca 0.18 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3e64 h GLU 1060Cb 0.18 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3e64 h GLU 1060CO -0.02 0.82 0.15 0.74 -1.16 0.00 0.00 179.01 179.54 3e64 h PHE 1061N 0.12 1.06 -0.76 4.33 0.05 -1.15 -1.15 116.94 119.44 3e64 h PHE 1061Ca 0.03 -0.12 -0.06 0.00 3.82 0.00 0.00 57.97 61.64 3e64 h PHE 1061Cb 0.73 -0.30 -0.03 0.00 2.00 0.00 0.00 35.95 38.35 3e64 h PHE 1061CO 0.08 0.87 0.24 0.52 -0.18 0.00 0.00 178.31 179.85 3e64 h MET 1062N 0.97 1.17 -0.55 1.51 2.86 -1.25 -0.65 114.93 118.99 3e64 h MET 1062Ca 0.20 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3e64 h MET 1062Cb 0.35 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3e64 h MET 1062CO 0.00 0.99 0.31 -0.09 1.06 0.00 0.00 176.91 179.18 3e64 h ARG 1063N 1.13 0.77 -0.48 1.72 2.43 -0.96 0.22 114.38 119.21 3e64 h ARG 1063Ca 0.25 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 3e64 h ARG 1063Cb 0.30 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3e64 h ARG 1063CO -0.01 0.58 -0.09 0.52 -1.51 0.00 0.00 179.97 179.46 3e64 h MET 1064N 0.74 0.86 0.00 0.20 2.86 -0.75 -3.02 114.93 115.82 3e64 h MET 1064Ca 0.20 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3e64 h MET 1064Cb 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3e64 h MET 1064CO -0.03 0.92 -0.69 -0.84 1.06 0.00 0.00 176.91 177.32 3e64 h ILE 1065N 0.78 0.00 0.00 -1.22 3.07 -1.05 -3.50 117.51 115.59 3e64 h ILE 1065Ca 0.13 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.61 3e64 h ILE 1065Cb 0.60 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3e64 h ILE 1065CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 3e64 n GLY 1066N 1.18 2.61 0.07 0.16 0.00 0.74 -4.79 105.19 105.16 3e64 n GLY 1066Ca 0.01 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.84 3e64 n GLY 1066CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3e64 n ASN 1067N 0.00 0.30 0.19 1.61 5.03 -1.07 -1.98 115.26 119.35 3e64 n ASN 1067Ca 0.00 0.60 0.14 0.00 0.87 0.00 0.00 54.58 56.19 3e64 n ASN 1067Cb 0.00 -0.65 0.43 0.00 -1.02 0.00 0.00 39.78 38.53 3e64 n ASN 1067CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 3e64 h ASP 1068N 0.00 0.00 -3.60 6.41 2.03 -1.90 -3.45 116.42 115.91 3e64 h ASP 1068Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 3e64 h ASP 1068Cb 0.18 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.71 3e64 h ASP 1068CO 0.00 0.00 0.57 -0.54 -1.03 0.00 0.00 179.24 178.24 3e64 s LYS 1069N -3.33 4.48 0.06 4.15 -0.14 -0.84 -5.03 119.74 119.09 3e64 s LYS 1069Ca 0.06 1.95 0.03 0.00 -1.36 0.00 0.00 55.97 56.64 3e64 s LYS 1069Cb 0.09 -3.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 3e64 s LYS 1069CO 0.57 -0.07 -0.08 -0.65 -0.76 0.00 0.00 175.35 174.35 3e64 s GLN 1070N -0.73 0.62 4.64 1.68 -0.21 -1.26 -4.74 119.66 119.66 3e64 s GLN 1070Ca 0.51 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3e64 s GLN 1070Cb -0.34 -0.35 0.00 0.00 1.00 0.00 0.00 33.01 33.32 3e64 s GLN 1070CO 0.41 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 174.04 3e64 n GLY 1071N 1.17 2.87 0.31 3.09 0.00 -1.26 -1.98 105.19 109.39 3e64 n GLY 1071Ca -0.21 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.76 3e64 n GLY 1071CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3e64 h GLN 1072N 0.00 0.00 0.00 1.61 3.07 -2.02 -1.10 115.11 116.67 3e64 h GLN 1072Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 3e64 h GLN 1072Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 3e64 h GLN 1072CO 0.00 0.00 -0.01 0.52 0.09 0.00 0.00 178.83 179.43 3e64 h MET 1073N 0.00 0.00 -0.28 0.06 2.86 -1.80 -1.93 114.93 113.84 3e64 h MET 1073Ca 0.07 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3e64 h MET 1073Cb 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3e64 h MET 1073CO -0.00 0.01 0.10 0.82 1.06 0.00 0.00 176.91 178.91 3e64 h ILE 1074N 0.00 0.93 -0.33 -1.22 2.04 -1.27 -0.94 117.51 116.72 3e64 h ILE 1074Ca -0.00 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3e64 h ILE 1074Cb 0.03 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3e64 h ILE 1074CO 0.00 0.04 0.11 0.58 0.00 0.00 0.00 178.15 178.88 3e64 h VAL 1075N 0.23 1.20 -0.05 1.67 2.07 -1.50 0.17 116.25 120.05 3e64 h VAL 1075Ca 0.12 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3e64 h VAL 1075Cb 0.09 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3e64 h VAL 1075CO -0.12 0.22 -0.19 0.15 0.02 0.00 0.00 177.57 177.65 3e64 h PHE 1076N 0.38 -0.48 -0.29 1.57 3.57 -1.34 -0.75 116.94 119.59 3e64 h PHE 1076Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3e64 h PHE 1076Cb 0.23 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3e64 h PHE 1076CO 0.00 -0.26 -0.28 0.45 -2.23 0.00 0.00 178.31 175.99 3e64 h HIS 1077N -0.28 0.68 -0.56 0.41 3.86 -1.04 -2.49 115.15 115.74 3e64 h HIS 1077Ca 0.07 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3e64 h HIS 1077Cb 0.37 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3e64 h HIS 1077CO -0.26 0.82 0.25 1.25 0.86 0.00 0.00 177.93 180.85 3e64 h LEU 1078N 0.52 0.74 -0.32 2.43 5.85 -0.40 0.32 115.31 124.44 3e64 h LEU 1078Ca 0.07 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3e64 h LEU 1078Cb 0.76 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3e64 h LEU 1078CO 0.06 0.68 0.11 0.40 -0.34 0.00 0.00 178.44 179.36 3e64 h ILE 1079N 0.75 0.91 -0.55 4.05 2.04 -1.01 -0.69 117.51 123.02 3e64 h ILE 1079Ca 0.19 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3e64 h ILE 1079Cb 0.15 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3e64 h ILE 1079CO -0.02 0.05 0.20 -0.33 0.00 0.00 0.00 178.15 178.05 3e64 h GLU 1080N 0.25 0.83 0.03 2.37 4.39 -1.22 -1.20 114.58 120.04 3e64 h GLU 1080Ca 0.15 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.70 3e64 h GLU 1080Cb 0.12 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3e64 h GLU 1080CO -0.15 0.74 -0.16 1.25 -1.16 0.00 0.00 179.01 179.53 3e64 h LEU 1081N 0.75 -0.45 -0.83 1.33 5.85 -0.66 -2.72 115.31 118.59 3e64 h LEU 1081Ca 0.18 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3e64 h LEU 1081Cb 0.23 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3e64 h LEU 1081CO -0.01 -0.22 0.26 -0.07 -0.34 0.00 0.00 178.44 178.06 3e64 h LEU 1082N -0.28 1.04 -1.51 2.25 3.38 -0.91 0.17 115.31 119.45 3e64 h LEU 1082Ca 0.04 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.95 3e64 h LEU 1082Cb 0.32 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3e64 h LEU 1082CO -0.13 0.95 0.49 0.50 0.09 0.00 0.00 178.44 180.34 3e64 h LYS 1083N 1.09 0.50 -0.64 1.13 3.64 -1.12 -1.55 116.57 119.62 3e64 h LYS 1083Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3e64 h LYS 1083Cb 0.26 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3e64 h LYS 1083CO -0.01 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 177.59 3e64 n ASN 1084N -4.49 4.30 -1.70 4.20 3.02 -0.79 -4.92 115.26 114.88 3e64 n ASN 1084Ca 0.13 -2.50 -0.17 0.00 -0.03 0.00 0.00 54.58 52.00 3e64 n ASN 1084Cb 0.43 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 3e64 n ASN 1084CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3e64 n ASN 1085N 0.76 -5.12 -4.73 6.41 3.02 -0.58 -5.00 115.26 110.01 3e64 n ASN 1085Ca 0.22 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.54 3e64 n ASN 1085Cb 0.85 -4.18 -0.02 0.00 -0.61 0.00 0.00 39.78 35.81 3e64 n ASN 1085CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3e64 s GLY 1086N -2.48 1.93 0.07 7.41 0.00 -0.02 -5.00 107.32 109.23 3e64 s GLY 1086Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.05 3e64 s GLY 1086CO 0.00 2.51 0.18 0.50 0.00 0.00 0.00 173.10 176.29 3e64 s ARG 1087N 0.23 0.79 0.38 2.90 1.81 -1.26 -4.33 118.95 119.47 3e64 s ARG 1087Ca 0.65 -0.88 -0.26 0.00 -1.72 0.00 0.00 55.73 53.52 3e64 s ARG 1087Cb -0.44 0.32 -0.12 0.00 -0.45 0.00 0.00 34.95 34.26 3e64 s ARG 1087CO 0.39 -0.24 1.03 1.28 -0.68 0.00 0.00 175.30 177.08 3e64 n LEU 1088N 0.15 2.45 -4.83 2.53 4.77 -1.26 -4.98 117.00 115.83 3e64 n LEU 1088Ca -0.16 1.09 -0.31 0.00 -0.03 0.00 0.00 56.01 56.60 3e64 n LEU 1088Cb 0.61 -1.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.40 3e64 n LEU 1088CO 0.23 -1.38 0.72 -2.16 -1.33 0.00 0.00 177.39 173.47 3e64 s PRO 1089N -1.87 2.93 0.04 3.23 0.04 -1.26 -4.99 135.00 133.12 3e64 s PRO 1089Ca 0.61 0.82 -0.32 0.00 0.04 0.00 0.00 61.00 62.15 3e64 s PRO 1089Cb -0.60 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 3e64 s PRO 1089CO 0.58 -1.07 1.87 -2.13 0.04 0.00 0.00 177.00 176.30 3e64 n ARG 1090N -3.09 2.59 -1.73 4.56 0.63 -1.26 -4.95 116.66 113.42 3e64 n ARG 1090Ca 0.07 0.94 -0.40 0.00 -0.92 0.00 0.00 57.85 57.55 3e64 n ARG 1090Cb 0.54 -2.83 0.02 0.00 0.45 0.00 0.00 32.46 30.64 3e64 n ARG 1090CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3e64 n PRO 1091N 6.33 1.93 -1.66 -0.14 -0.02 -1.26 -4.91 135.00 135.26 3e64 n PRO 1091Ca 0.20 0.69 -0.47 0.00 -2.02 0.00 0.00 63.50 61.90 3e64 n PRO 1091Cb 0.35 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 3e64 n PRO 1091CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3e64 n ASP 1092N -0.25 2.98 0.00 2.55 8.00 -1.26 -2.17 116.55 126.40 3e64 n ASP 1092Ca 0.07 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.65 3e64 n ASP 1092Cb 0.42 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3e64 n ASP 1092CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3e64 n GLY 1093N 3.42 0.70 3.71 0.44 0.00 -1.26 -4.94 105.19 107.26 3e64 n GLY 1093Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3e64 n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e64 n PRO 1095N 3.79 1.74 -0.21 0.00 -0.02 -1.26 -4.84 135.00 134.21 3e64 n PRO 1095Ca 0.08 0.64 -0.07 0.00 -2.02 0.00 0.00 63.50 62.13 3e64 n PRO 1095Cb 0.46 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3e64 n PRO 1095CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3e64 h ASP 1096N 1.56 0.75 -0.63 2.55 3.58 -1.99 -1.78 116.42 120.46 3e64 h ASP 1096Ca -0.50 -0.10 0.09 0.00 0.42 0.00 0.00 57.03 56.93 3e64 h ASP 1096Cb 1.30 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 3e64 h ASP 1096CO 0.57 0.64 0.42 -0.33 -2.88 0.00 0.00 179.24 177.66 3e64 h GLU 1097N 0.80 0.51 0.04 0.28 5.08 -1.99 0.17 114.58 119.46 3e64 h GLU 1097Ca 0.21 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.28 3e64 h GLU 1097Cb 0.06 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.22 3e64 h GLU 1097CO -0.03 0.34 -1.02 0.82 -1.00 0.00 0.00 179.01 178.11 3e64 h ILE 1098N 0.52 1.31 -0.76 3.13 1.08 -1.83 -2.66 117.51 118.30 3e64 h ILE 1098Ca 0.29 -2.28 0.01 0.00 -0.39 0.00 0.00 64.86 62.48 3e64 h ILE 1098Cb 0.44 2.53 -0.04 0.00 -3.07 0.00 0.00 36.82 36.67 3e64 h ILE 1098CO -0.09 0.70 0.50 0.22 -0.69 0.00 0.00 178.15 178.79 3e64 h TYR 1099N 0.26 0.96 -0.89 1.37 -0.00 -0.84 -2.12 116.97 115.70 3e64 h TYR 1099Ca -0.14 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 58.64 3e64 h TYR 1099Cb 1.70 -0.32 -0.05 0.00 -0.00 0.00 0.00 36.73 38.05 3e64 h TYR 1099CO 0.12 0.60 0.58 0.52 -0.00 0.00 0.00 178.16 179.97 3e64 h MET 1100N 1.03 1.09 -0.06 1.82 2.86 -0.99 -1.49 114.93 119.19 3e64 h MET 1100Ca 0.28 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 3e64 h MET 1100Cb -0.11 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.29 3e64 h MET 1100CO -0.06 0.72 -0.02 0.82 1.06 0.00 0.00 176.91 179.43 3e64 h ILE 1101N 1.13 0.93 -0.41 -1.22 2.04 -1.05 -1.74 117.51 117.20 3e64 h ILE 1101Ca 0.35 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.29 3e64 h ILE 1101Cb -0.02 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 3e64 h ILE 1101CO -0.11 0.00 -0.21 0.24 0.00 0.00 0.00 178.15 178.07 3e64 h MET 1102N -0.01 -0.13 -0.09 2.37 2.86 -0.92 -1.85 114.93 117.17 3e64 h MET 1102Ca 0.03 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3e64 h MET 1102Cb 0.05 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3e64 h MET 1102CO -0.06 -0.08 -0.34 1.79 1.06 0.00 0.00 176.91 179.27 3e64 h THR 1103N -0.13 1.27 -0.55 2.22 1.35 -1.10 -2.03 112.91 113.94 3e64 h THR 1103Ca 0.20 -1.29 -0.11 0.00 -0.55 0.00 0.00 66.41 64.66 3e64 h THR 1103Cb 0.44 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 3e64 h THR 1103CO -0.49 0.38 -0.08 -0.33 -0.25 0.00 0.00 175.52 174.76 3e64 h GLU 1104N 0.15 1.01 -0.53 4.72 5.08 -0.89 -2.81 114.58 121.31 3e64 h GLU 1104Ca 0.02 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3e64 h GLU 1104Cb 0.67 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3e64 h GLU 1104CO 0.05 1.04 0.26 0.00 -1.00 0.00 0.00 179.01 179.35 3e64 n TRP 1106N -4.37 1.34 -3.18 0.00 8.01 -0.82 -4.09 117.44 114.33 3e64 n TRP 1106Ca 0.05 -1.87 -0.39 0.00 -1.31 0.00 0.00 57.50 53.98 3e64 n TRP 1106Cb 0.12 -1.29 -0.05 0.00 -2.01 0.00 0.00 31.31 28.08 3e64 n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3e64 s ASN 1107N 0.56 6.88 0.45 -0.99 3.84 -1.20 -4.96 114.94 119.53 3e64 s ASN 1107Ca 0.52 1.05 0.12 0.00 0.21 0.00 0.00 52.86 54.76 3e64 s ASN 1107Cb 0.33 -2.36 1.02 0.00 -0.55 0.00 0.00 41.25 39.70 3e64 s ASN 1107CO -0.14 -0.02 2.05 0.78 -2.79 0.00 0.00 177.10 176.99 3e64 h ASN 1108N 6.45 0.32 -3.48 -4.21 2.35 -1.92 -3.39 115.58 111.69 3e64 h ASN 1108Ca -0.42 -0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.77 3e64 h ASN 1108Cb 1.19 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.42 3e64 h ASN 1108CO 0.74 0.22 0.97 0.21 -1.65 0.00 0.00 177.43 177.91 3e64 s ASN 1109N -6.62 6.52 0.21 5.81 3.84 -1.26 -4.92 114.94 118.53 3e64 s ASN 1109Ca -0.07 0.38 -0.08 0.00 0.21 0.00 0.00 52.86 53.29 3e64 s ASN 1109Cb 0.18 -2.55 0.28 0.00 -0.55 0.00 0.00 41.25 38.61 3e64 s ASN 1109CO 0.72 -1.36 1.78 0.58 -2.79 0.00 0.00 177.10 176.03 3e64 h VAL 1110N 6.24 0.88 0.00 -5.21 2.07 -1.99 -2.37 116.25 115.87 3e64 h VAL 1110Ca -0.24 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3e64 h VAL 1110Cb 1.06 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3e64 h VAL 1110CO 1.15 0.11 0.00 0.78 0.02 0.00 0.00 177.57 179.62 3e64 h ASN 1111N 0.59 0.00 0.75 0.57 2.35 -1.94 -2.91 115.58 114.99 3e64 h ASN 1111Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3e64 h ASN 1111Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3e64 h ASN 1111CO -0.24 0.00 -0.42 0.00 -1.65 0.00 0.00 177.43 175.12 3e64 n GLN 1112N -2.69 0.10 -2.04 0.81 6.02 -0.89 -4.90 117.38 113.80 3e64 n GLN 1112Ca 0.02 0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.66 3e64 n GLN 1112Cb 0.32 -1.57 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 3e64 n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3e64 s ARG 1113N -3.05 3.88 0.91 -1.09 0.52 -1.10 -4.99 118.95 114.03 3e64 s ARG 1113Ca 0.10 2.14 -0.11 0.00 -0.52 0.00 0.00 55.73 57.34 3e64 s ARG 1113Cb 0.16 -2.69 0.14 0.00 0.52 0.00 0.00 34.95 33.08 3e64 s ARG 1113CO 0.67 -0.56 1.09 -1.25 0.02 0.00 0.00 175.30 175.27 3e64 s PRO 1114N -2.33 1.12 0.39 3.54 0.04 -1.26 -5.03 135.00 131.46 3e64 s PRO 1114Ca 0.59 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 3e64 s PRO 1114Cb -0.38 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3e64 s PRO 1114CO 0.48 -2.38 0.68 -1.54 0.04 0.00 0.00 177.00 174.28 3e64 s SER 1115N -3.18 6.39 0.31 6.66 1.04 -1.26 -4.95 113.70 118.70 3e64 s SER 1115Ca 0.64 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.95 3e64 s SER 1115Cb -0.19 -2.21 0.51 0.00 0.10 0.00 0.00 66.02 64.23 3e64 s SER 1115CO 0.58 -0.38 1.84 -0.26 0.98 0.00 0.00 173.24 176.00 3e64 h PHE 1116N 0.99 0.66 -0.35 5.02 0.04 -1.96 0.69 116.94 122.03 3e64 h PHE 1116Ca -0.48 -0.07 0.06 0.00 2.80 0.00 0.00 57.97 60.28 3e64 h PHE 1116Cb 1.20 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.11 3e64 h PHE 1116CO 0.58 0.62 0.04 -0.09 -0.60 0.00 0.00 178.31 178.85 3e64 h ARG 1117N 0.60 0.15 -0.44 1.51 2.43 -1.94 -0.61 114.38 116.08 3e64 h ARG 1117Ca 0.13 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 3e64 h ARG 1117Cb 0.35 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3e64 h ARG 1117CO 0.01 0.10 -0.26 -0.44 -1.51 0.00 0.00 179.97 177.87 3e64 h ASP 1118N 0.15 0.98 -0.82 -3.80 3.32 -1.86 -2.63 116.42 111.76 3e64 h ASP 1118Ca 0.17 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3e64 h ASP 1118Cb 0.21 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3e64 h ASP 1118CO -0.24 1.19 0.54 -0.07 -1.72 0.00 0.00 179.24 178.94 3e64 h LEU 1119N 0.78 0.94 -0.66 1.55 3.38 -0.67 -0.05 115.31 120.58 3e64 h LEU 1119Ca 0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3e64 h LEU 1119Cb 0.84 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3e64 h LEU 1119CO 0.07 0.68 0.17 0.00 0.09 0.00 0.00 178.44 179.46 3e64 h ALA 1120N 1.30 0.87 -0.03 1.53 0.00 -1.03 0.31 119.26 122.22 3e64 h ALA 1120Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3e64 h ALA 1120Cb -0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3e64 h ALA 1120CO -0.07 0.58 0.02 -0.07 0.00 0.00 0.00 179.25 179.71 3e64 h LEU 1121N 0.98 0.03 -0.49 0.00 3.38 -1.16 -1.68 115.31 116.37 3e64 h LEU 1121Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3e64 h LEU 1121Cb 0.35 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3e64 h LEU 1121CO -0.00 0.03 0.21 0.03 0.09 0.00 0.00 178.44 178.80 3e64 h ARG 1122N 0.03 0.73 -0.29 1.13 3.08 -0.68 -1.50 114.38 116.88 3e64 h ARG 1122Ca 0.01 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3e64 h ARG 1122Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3e64 h ARG 1122CO -0.00 0.64 0.06 0.28 -1.07 0.00 0.00 179.97 179.87 3e64 h VAL 1123N 0.65 1.23 -0.98 2.04 2.07 -0.92 -1.33 116.25 119.01 3e64 h VAL 1123Ca 0.16 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3e64 h VAL 1123Cb 0.17 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3e64 h VAL 1123CO -0.02 0.25 0.64 0.44 0.02 0.00 0.00 177.57 178.90 3e64 h ASP 1124N 0.30 1.06 -0.32 0.57 5.19 -1.20 -0.26 116.42 121.77 3e64 h ASP 1124Ca 0.09 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 3e64 h ASP 1124Cb 0.32 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3e64 h ASP 1124CO 0.00 0.72 0.15 -0.61 -3.12 0.00 0.00 179.24 176.38 3e64 h GLN 1125N 1.23 0.46 -0.63 3.56 5.75 -1.03 0.19 115.11 124.64 3e64 h GLN 1125Ca 0.39 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.86 3e64 h GLN 1125Cb 0.02 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 3e64 h GLN 1125CO -0.12 0.44 0.37 0.82 -2.65 0.00 0.00 178.83 177.69 3e64 h ILE 1126N 0.37 1.03 -0.70 2.39 2.04 -0.66 0.18 117.51 122.16 3e64 h ILE 1126Ca 0.11 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3e64 h ILE 1126Cb 0.14 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3e64 h ILE 1126CO -0.01 0.13 0.46 0.03 0.00 0.00 0.00 178.15 178.76 3e64 h ARG 1127N 0.71 0.91 -0.49 2.37 3.08 -0.84 -1.44 114.38 118.67 3e64 h ARG 1127Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3e64 h ARG 1127Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3e64 h ARG 1127CO -0.13 0.60 0.32 0.22 -1.07 0.00 0.00 179.97 179.91 3e64 h ASP 1128N 0.93 0.57 -0.71 7.04 -0.00 -0.43 -0.81 116.42 123.00 3e64 h ASP 1128Ca 0.26 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.23 3e64 h ASP 1128Cb -0.08 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 39.08 3e64 h ASP 1128CO -0.07 0.42 0.27 0.78 -0.00 0.00 0.00 179.24 180.64 3e64 h ASN 1129N 0.66 1.00 -0.44 2.28 2.35 -0.68 -2.91 115.58 117.84 3e64 h ASN 1129Ca 0.18 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3e64 h ASN 1129Cb -0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 3e64 h ASN 1129CO -0.04 0.91 -0.11 0.24 -1.65 0.00 0.00 177.43 176.78 3e64 h MET 1130N 1.03 0.90 -0.03 0.81 2.86 -1.01 -3.51 114.93 115.99 3e64 h MET 1130Ca 0.24 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3e64 h MET 1130Cb 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3e64 h MET 1130CO -0.02 0.96 0.00 0.00 1.06 0.00 0.00 176.91 178.92