#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka3 s VAL 847 N 0.00 1.16 -0.21 0.52 1.01 -1.26 -4.99 120.40 116.62 2ka3 s VAL 847 Ca 0.00 -0.38 0.22 0.00 0.00 0.00 0.00 61.98 61.83 2ka3 s VAL 847 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2ka3 s VAL 847 CO 0.00 0.39 0.98 -0.81 0.00 0.00 0.00 175.10 175.66 2ka3 n PRO 848 N 4.85 0.61 -3.58 2.72 -0.04 -1.26 -5.01 135.00 133.30 2ka3 n PRO 848 Ca -0.14 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 2ka3 n PRO 848 Cb 0.50 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2ka3 n PRO 848 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ka3 n GLN 849 N -2.66 -1.26 -5.23 0.54 7.27 -1.26 -5.00 117.38 109.79 2ka3 n GLN 849 Ca -0.01 0.60 -0.32 0.00 0.07 0.00 0.00 57.00 57.35 2ka3 n GLN 849 Cb 0.57 -1.81 -0.16 0.00 2.41 0.00 0.00 30.24 31.24 2ka3 n GLN 849 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2ka3 s VAL 850 N -2.82 2.19 0.11 1.69 1.01 -1.26 -5.04 120.40 116.28 2ka3 s VAL 850 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2ka3 s VAL 850 Cb -0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2ka3 s VAL 850 CO 0.74 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.34 2ka3 s ALA 851 N -0.34 1.09 -0.13 5.51 0.00 -1.26 -3.90 121.76 122.74 2ka3 s ALA 851 Ca 0.02 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.48 2ka3 s ALA 851 Cb -0.12 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2ka3 s ALA 851 CO 0.02 -0.21 0.33 -0.59 0.00 0.00 0.00 175.76 175.31 2ka3 s PHE 852 N -3.57 -0.38 -0.30 0.00 -0.71 -1.12 -3.57 117.98 108.34 2ka3 s PHE 852 Ca 0.13 0.91 -0.13 0.00 -1.04 0.00 0.00 56.93 56.80 2ka3 s PHE 852 Cb 0.05 0.13 0.17 0.00 -1.21 0.00 0.00 43.02 42.15 2ka3 s PHE 852 CO -0.03 -0.19 0.95 0.45 -1.34 0.00 0.00 175.22 175.06 2ka3 s SER 853 N 0.30 -0.65 0.17 1.98 0.15 -0.02 -2.05 113.70 113.59 2ka3 s SER 853 Ca -0.01 0.74 0.11 0.00 0.70 0.00 0.00 55.95 57.49 2ka3 s SER 853 Cb -0.03 1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 65.91 2ka3 s SER 853 CO -0.01 -0.12 -0.25 0.00 1.20 0.00 0.00 173.24 174.06 2ka3 s ALA 854 N 2.60 2.49 0.08 5.45 0.00 -0.93 -1.94 121.76 129.51 2ka3 s ALA 854 Ca -0.00 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.38 2ka3 s ALA 854 Cb -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2ka3 s ALA 854 CO -0.17 0.47 -0.06 0.00 0.00 0.00 0.00 175.76 176.00 2ka3 s ALA 855 N -1.48 0.78 -0.03 0.00 0.00 -0.15 -3.40 121.76 117.48 2ka3 s ALA 855 Ca 0.19 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2ka3 s ALA 855 Cb -0.09 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2ka3 s ALA 855 CO 0.09 -0.25 -0.08 -1.17 0.00 0.00 0.00 175.76 174.35 2ka3 s LEU 856 N -2.82 1.64 0.00 0.00 1.98 -1.26 -2.18 118.68 116.04 2ka3 s LEU 856 Ca 0.08 -0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.14 2ka3 s LEU 856 Cb 0.04 -0.53 0.00 0.00 0.66 0.00 0.00 46.19 46.36 2ka3 s LEU 856 CO -0.06 0.02 0.00 -1.54 -1.89 0.00 0.00 176.35 172.89 2ka3 n SER 857 N 3.56 0.00 -2.43 3.68 3.41 -1.26 -4.91 113.62 115.67 2ka3 n SER 857 Ca -0.21 -0.84 -0.23 0.00 -0.26 0.00 0.00 58.87 57.34 2ka3 n SER 857 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2ka3 n SER 857 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ka3 n LEU 858 N 0.00 -1.98 0.06 1.04 -0.00 -1.26 -4.94 117.00 109.92 2ka3 n LEU 858 Ca 0.00 0.40 -0.21 0.00 -0.00 0.00 0.00 56.01 56.19 2ka3 n LEU 858 Cb 0.41 -0.49 -0.15 0.00 -0.00 0.00 0.00 43.42 43.19 2ka3 n LEU 858 CO 0.00 -2.65 -0.13 1.55 -0.00 0.00 0.00 177.39 176.16 2ka3 h PRO 859 N 0.05 0.35 -2.80 1.47 0.13 -2.07 -3.49 132.00 125.64 2ka3 h PRO 859 Ca -0.23 -0.59 0.08 0.00 -0.87 0.00 0.00 66.00 64.39 2ka3 h PRO 859 Cb 0.83 0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 2ka3 h PRO 859 CO 0.25 1.28 0.35 -0.98 -0.23 0.00 0.00 178.00 178.67 2ka3 s ARG 860 N -2.48 1.75 0.00 0.86 1.70 -1.26 -5.14 118.95 114.38 2ka3 s ARG 860 Ca -0.14 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 2ka3 s ARG 860 Cb 0.02 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2ka3 s ARG 860 CO 0.85 -0.81 0.00 0.43 -1.08 0.00 0.00 175.30 174.68 2ka3 n SER 861 N -0.88 0.00 -4.63 -2.89 7.64 -1.26 -4.96 113.62 106.64 2ka3 n SER 861 Ca -0.06 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.49 2ka3 n SER 861 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 2ka3 n SER 861 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ka3 s GLU 862 N 0.00 2.79 0.08 1.43 -6.30 -1.26 -5.02 118.70 110.41 2ka3 s GLU 862 Ca 0.00 -0.55 0.22 0.00 -2.50 0.00 0.00 54.97 52.14 2ka3 s GLU 862 Cb 0.00 -2.65 0.88 0.00 0.00 0.00 0.00 34.13 32.36 2ka3 s GLU 862 CO 0.00 0.66 1.68 -0.35 0.02 0.00 0.00 175.26 177.26 2ka3 n PRO 863 N 1.93 0.07 0.00 4.30 -0.04 -1.26 -4.92 135.00 135.08 2ka3 n PRO 863 Ca -0.17 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2ka3 n PRO 863 Cb 0.53 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2ka3 n PRO 863 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka3 n GLY 864 N 0.56 1.99 3.79 0.55 0.00 -1.26 -5.14 105.19 105.68 2ka3 n GLY 864 Ca 0.04 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2ka3 n GLY 864 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ka3 s THR 865 N 1.35 4.34 -0.10 2.61 2.01 -1.26 -5.02 115.64 119.57 2ka3 s THR 865 Ca 0.00 1.64 -0.17 0.00 0.31 0.00 0.00 61.69 63.47 2ka3 s THR 865 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2ka3 s THR 865 CO 0.00 0.22 0.44 -0.69 -0.69 0.00 0.00 174.62 173.90 2ka3 s VAL 866 N -1.52 5.17 0.00 3.82 1.01 -1.26 -5.09 120.40 122.53 2ka3 s VAL 866 Ca 0.46 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2ka3 s VAL 866 Cb -0.19 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ka3 s VAL 866 CO 0.23 0.38 0.00 -0.81 0.00 0.00 0.00 175.10 174.90 2ka3 n PRO 867 N 3.35 3.36 -3.74 2.72 -0.04 -1.26 -4.63 135.00 134.76 2ka3 n PRO 867 Ca -0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 2ka3 n PRO 867 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 2ka3 n PRO 867 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ka3 s PHE 868 N 1.82 -0.38 -0.07 0.54 -0.71 -1.26 -4.89 117.98 113.04 2ka3 s PHE 868 Ca 0.00 0.88 0.02 0.00 -1.04 0.00 0.00 56.93 56.80 2ka3 s PHE 868 Cb 0.00 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.90 2ka3 s PHE 868 CO 0.00 -0.21 0.08 -0.40 -1.34 0.00 0.00 175.22 173.35 2ka3 n ASP 869 N 3.55 1.64 -4.33 1.98 5.75 -1.21 -4.89 116.55 119.04 2ka3 n ASP 869 Ca -0.18 -0.36 -0.46 0.00 -0.01 0.00 0.00 54.79 53.77 2ka3 n ASP 869 Cb 0.56 1.04 -0.02 0.00 -1.03 0.00 0.00 41.12 41.67 2ka3 n ASP 869 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ka3 s ARG 870 N -1.55 3.75 -0.70 0.11 1.81 -0.93 -4.99 118.95 116.45 2ka3 s ARG 870 Ca 0.00 -2.68 -0.26 0.00 -1.72 0.00 0.00 55.73 51.07 2ka3 s ARG 870 Cb 0.02 -4.45 -0.02 0.00 -0.45 0.00 0.00 34.95 30.05 2ka3 s ARG 870 CO 0.10 -1.27 1.83 0.08 -0.68 0.00 0.00 175.30 175.35 2ka3 s VAL 871 N -0.25 3.42 -0.07 3.52 1.01 -1.26 -0.98 120.40 125.79 2ka3 s VAL 871 Ca 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2ka3 s VAL 871 Cb -0.10 -4.06 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 2ka3 s VAL 871 CO -0.09 -1.02 0.58 -0.07 0.00 0.00 0.00 175.10 174.50 2ka3 h LEU 872 N 16.41 0.36 -6.88 3.92 3.38 -1.76 -3.46 115.31 127.28 2ka3 h LEU 872 Ca -0.17 -0.68 0.10 0.00 0.09 0.00 0.00 57.88 57.23 2ka3 h LEU 872 Cb 1.11 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.51 2ka3 h LEU 872 CO 1.23 1.59 0.16 -0.22 0.09 0.00 0.00 178.44 181.29 2ka3 s LEU 873 N -6.88 -0.75 -0.35 1.67 2.96 -1.23 -5.01 118.68 109.10 2ka3 s LEU 873 Ca -0.15 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 2ka3 s LEU 873 Cb 0.07 1.98 0.32 0.00 0.50 0.00 0.00 46.19 49.05 2ka3 s LEU 873 CO 0.81 -0.17 1.34 -3.20 -1.32 0.00 0.00 176.35 173.81 2ka3 n ASN 874 N 4.50 -1.41 -0.21 3.68 2.85 -1.24 -0.84 115.26 122.59 2ka3 n ASN 874 Ca -0.15 -2.13 -0.05 0.00 -0.11 0.00 0.00 54.58 52.13 2ka3 n ASN 874 Cb 0.55 1.23 0.05 0.00 1.24 0.00 0.00 39.78 42.85 2ka3 n ASN 874 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2ka3 h ASP 875 N 2.41 0.64 0.42 1.20 2.03 -1.97 -3.15 116.42 118.01 2ka3 h ASP 875 Ca -0.28 -0.01 -0.26 0.00 -0.73 0.00 0.00 57.03 55.75 2ka3 h ASP 875 Cb 1.20 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 39.50 2ka3 h ASP 875 CO 0.00 0.46 -1.78 0.61 -1.03 0.00 0.00 179.24 177.50 2ka3 n GLY 876 N -1.26 -1.06 0.00 7.15 0.00 -1.26 -5.00 105.19 103.76 2ka3 n GLY 876 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2ka3 n GLY 876 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka3 n GLY 877 N 1.54 2.76 5.12 -0.02 0.00 -1.19 -5.00 105.19 108.39 2ka3 n GLY 877 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2ka3 n GLY 877 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ka3 n TYR 878 N 0.00 0.00 -3.28 1.61 4.01 -1.26 -4.67 117.16 113.57 2ka3 n TYR 878 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2ka3 n TYR 878 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 2ka3 n TYR 878 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2ka3 s TYR 879 N 0.00 3.26 -0.30 -0.72 1.13 -1.26 -4.19 117.35 115.26 2ka3 s TYR 879 Ca 0.00 0.55 -0.27 0.00 -1.41 0.00 0.00 57.07 55.94 2ka3 s TYR 879 Cb 0.00 -2.69 0.01 0.00 -1.10 0.00 0.00 41.96 38.18 2ka3 s TYR 879 CO 0.00 -0.28 0.95 0.34 -2.51 0.00 0.00 175.55 174.05 2ka3 s ASP 880 N 1.58 6.85 0.00 -0.18 -1.08 -1.10 -4.94 116.67 117.81 2ka3 s ASP 880 Ca 0.19 0.96 0.24 0.00 -0.52 0.00 0.00 52.55 53.42 2ka3 s ASP 880 Cb -0.16 -2.49 0.49 0.00 -1.46 0.00 0.00 42.92 39.31 2ka3 s ASP 880 CO 0.10 -0.73 1.43 -0.81 0.52 0.00 0.00 175.17 175.67 2ka3 n PRO 881 N 6.49 2.17 0.03 4.34 -0.04 -1.26 -0.32 135.00 146.42 2ka3 n PRO 881 Ca 0.09 -1.73 -0.19 0.00 -0.04 0.00 0.00 63.50 61.63 2ka3 n PRO 881 Cb 0.47 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 2ka3 n PRO 881 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ka3 h GLU 882 N 3.88 0.25 0.00 0.54 5.08 -1.92 -3.32 114.58 119.09 2ka3 h GLU 882 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2ka3 h GLU 882 Cb 0.83 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ka3 h GLU 882 CO 0.00 1.20 -1.26 0.25 -1.00 0.00 0.00 179.01 178.20 2ka3 n THR 883 N -4.21 0.00 -1.07 1.13 -2.24 -1.26 -4.93 114.28 101.71 2ka3 n THR 883 Ca -0.13 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2ka3 n THR 883 Cb 0.76 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 2ka3 n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ka3 n GLY 884 N 1.43 0.62 3.33 3.38 0.00 0.57 -4.73 105.19 109.80 2ka3 n GLY 884 Ca 0.01 -0.77 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 2ka3 n GLY 884 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka3 s VAL 885 N -2.00 5.08 -0.37 1.61 1.01 -0.57 -4.20 120.40 120.95 2ka3 s VAL 885 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.52 2ka3 s VAL 885 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2ka3 s VAL 885 CO 0.00 -0.71 0.29 0.12 0.00 0.00 0.00 175.10 174.80 2ka3 s PHE 886 N 1.59 3.23 -0.43 5.22 2.19 -1.25 -2.70 117.98 125.83 2ka3 s PHE 886 Ca 0.04 -0.37 -0.16 0.00 0.33 0.00 0.00 56.93 56.77 2ka3 s PHE 886 Cb -0.27 -2.56 0.03 0.00 -1.31 0.00 0.00 43.02 38.91 2ka3 s PHE 886 CO 0.04 -0.48 0.36 0.99 1.83 0.00 0.00 175.22 177.96 2ka3 s THR 887 N 1.75 5.20 -0.43 0.12 2.01 -1.26 -3.15 115.64 119.87 2ka3 s THR 887 Ca 0.06 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 2ka3 s THR 887 Cb -0.18 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.34 2ka3 s THR 887 CO 0.11 -0.41 0.73 0.00 -0.69 0.00 0.00 174.62 174.36 2ka3 s ALA 888 N 1.82 3.33 -1.91 7.40 0.00 -1.25 -4.72 121.76 126.44 2ka3 s ALA 888 Ca 0.07 -1.03 0.24 0.00 0.00 0.00 0.00 51.96 51.25 2ka3 s ALA 888 Cb -0.19 -3.39 0.34 0.00 0.00 0.00 0.00 23.12 19.88 2ka3 s ALA 888 CO 0.10 -1.80 1.31 -0.35 0.00 0.00 0.00 175.76 175.02 2ka3 n PRO 889 N 6.50 1.04 -0.08 0.00 -0.04 -1.26 -1.78 135.00 139.38 2ka3 n PRO 889 Ca 0.01 -0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 62.61 2ka3 n PRO 889 Cb 0.48 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2ka3 n PRO 889 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2ka3 h LEU 890 N 1.88 -1.13 -2.56 1.53 3.38 -1.96 -3.48 115.31 112.96 2ka3 h LEU 890 Ca 0.00 0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2ka3 h LEU 890 Cb 0.64 0.51 0.08 0.00 0.09 0.00 0.00 40.66 41.98 2ka3 h LEU 890 CO 0.00 -0.35 -0.48 0.00 0.09 0.00 0.00 178.44 177.70 2ka3 n ALA 891 N -2.96 -2.52 -3.55 1.53 0.00 -1.26 -4.81 120.51 106.94 2ka3 n ALA 891 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2ka3 n ALA 891 Cb 0.34 -3.34 0.01 0.00 0.00 0.00 0.00 19.45 16.45 2ka3 n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka3 n GLY 892 N -1.55 0.51 3.63 0.00 0.00 -1.26 -3.28 105.19 103.24 2ka3 n GLY 892 Ca -0.05 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2ka3 n GLY 892 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka3 s ARG 893 N -2.01 4.10 0.28 1.61 3.52 -0.56 -4.95 118.95 120.94 2ka3 s ARG 893 Ca 0.16 0.27 0.10 0.00 -0.13 0.00 0.00 55.73 56.13 2ka3 s ARG 893 Cb -0.01 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2ka3 s ARG 893 CO 0.00 -0.24 -0.04 1.52 -0.81 0.00 0.00 175.30 175.74 2ka3 s TYR 894 N 1.93 2.61 -0.30 5.12 -0.85 -1.26 -1.57 117.35 123.04 2ka3 s TYR 894 Ca 0.20 -0.26 -0.10 0.00 -0.52 0.00 0.00 57.07 56.40 2ka3 s TYR 894 Cb -0.15 -1.19 -0.02 0.00 0.38 0.00 0.00 41.96 40.98 2ka3 s TYR 894 CO 0.09 0.62 0.15 -1.17 -1.52 0.00 0.00 175.55 173.72 2ka3 s LEU 895 N -3.65 3.98 -0.10 -3.49 2.96 -0.44 -4.75 118.68 113.20 2ka3 s LEU 895 Ca 0.32 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2ka3 s LEU 895 Cb -0.06 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2ka3 s LEU 895 CO 0.19 -0.14 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.78 2ka3 s LEU 896 N 1.64 3.10 -0.14 -0.68 0.20 -1.26 -1.94 118.68 119.59 2ka3 s LEU 896 Ca 0.05 -0.10 -0.05 0.00 0.69 0.00 0.00 54.13 54.73 2ka3 s LEU 896 Cb -0.17 -1.69 0.07 0.00 -0.43 0.00 0.00 46.19 43.97 2ka3 s LEU 896 CO 0.07 0.29 0.27 -0.44 -0.29 0.00 0.00 176.35 176.25 2ka3 s SER 897 N -0.38 0.38 0.16 3.68 0.01 -1.24 -4.85 113.70 111.46 2ka3 s SER 897 Ca 0.05 0.56 0.05 0.00 1.31 0.00 0.00 55.95 57.93 2ka3 s SER 897 Cb -0.12 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.80 2ka3 s SER 897 CO 0.02 -0.25 0.09 0.00 0.41 0.00 0.00 173.24 173.51 2ka3 s ALA 898 N 2.43 3.45 -0.24 1.44 0.00 -1.26 -3.14 121.76 124.44 2ka3 s ALA 898 Ca 0.02 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 2ka3 s ALA 898 Cb -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2ka3 s ALA 898 CO -0.09 0.53 0.02 0.08 0.00 0.00 0.00 175.76 176.29 2ka3 s VAL 899 N -1.69 3.80 -0.24 0.00 1.01 -1.18 -5.06 120.40 117.04 2ka3 s VAL 899 Ca 0.30 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2ka3 s VAL 899 Cb -0.10 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2ka3 s VAL 899 CO 0.22 0.34 0.15 -0.76 0.00 0.00 0.00 175.10 175.04 2ka3 s LEU 900 N 1.53 4.02 0.07 3.92 2.01 -1.26 -4.62 118.68 124.36 2ka3 s LEU 900 Ca 0.05 0.07 -0.29 0.00 0.01 0.00 0.00 54.13 53.97 2ka3 s LEU 900 Cb -0.15 -2.08 -0.05 0.00 0.01 0.00 0.00 46.19 43.92 2ka3 s LEU 900 CO 0.00 0.05 0.95 -0.89 1.01 0.00 0.00 176.35 177.47 2ka3 s THR 901 N 1.14 4.63 0.08 5.49 2.01 -1.26 -5.00 115.64 122.73 2ka3 s THR 901 Ca 0.07 2.02 -0.33 0.00 0.31 0.00 0.00 61.69 63.76 2ka3 s THR 901 Cb -0.14 -4.30 -0.18 0.00 0.01 0.00 0.00 72.50 67.89 2ka3 s THR 901 CO 0.05 0.28 1.62 1.23 -0.69 0.00 0.00 174.62 177.10 2ka3 h GLY 902 N 5.94 -0.98 -6.14 4.40 0.00 -2.00 -3.48 103.07 100.81 2ka3 h GLY 902 Ca -0.42 0.39 -0.36 0.00 0.00 0.00 0.00 47.33 46.94 2ka3 h GLY 902 CO 0.73 -0.35 -0.88 1.42 0.00 0.00 0.00 176.54 177.45 2ka3 n HIS 903 N -5.50 -1.69 0.80 5.60 8.25 -1.26 -4.72 115.22 116.70 2ka3 n HIS 903 Ca -0.13 0.70 0.10 0.00 -0.26 0.00 0.00 57.72 58.13 2ka3 n HIS 903 Cb 0.39 -1.90 0.46 0.00 1.12 0.00 0.00 29.99 30.07 2ka3 n HIS 903 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ka3 n ARG 904 N -1.60 0.11 0.27 -0.41 1.85 -1.26 -3.59 116.66 112.02 2ka3 n ARG 904 Ca -0.20 0.13 0.16 0.00 -1.00 0.00 0.00 57.85 56.94 2ka3 n ARG 904 Cb 0.54 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 31.04 2ka3 n ARG 904 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2ka3 h HIS 905 N 0.00 0.00 0.00 2.89 2.76 -1.89 -3.49 115.15 115.42 2ka3 h HIS 905 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2ka3 h HIS 905 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2ka3 h HIS 905 CO 0.00 0.00 0.00 -0.85 -1.30 0.00 0.00 177.93 175.78 2ka3 n GLU 906 N -3.08 0.00 0.00 5.26 0.28 -1.23 -5.14 120.64 116.72 2ka3 n GLU 906 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2ka3 n GLU 906 Cb 0.34 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.21 2ka3 n GLU 906 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2ka3 n LYS 907 N -0.96 0.00 -3.63 3.44 4.81 -1.26 -4.82 118.16 115.74 2ka3 n LYS 907 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 2ka3 n LYS 907 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2ka3 n LYS 907 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ka3 s VAL 908 N -0.18 5.34 -0.23 3.15 1.01 -1.26 -3.49 120.40 124.74 2ka3 s VAL 908 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 2ka3 s VAL 908 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2ka3 s VAL 908 CO 0.00 0.33 0.07 -0.70 0.00 0.00 0.00 175.10 174.80 2ka3 s GLU 909 N 1.11 3.72 -0.13 2.72 2.12 -0.92 -4.30 118.70 123.02 2ka3 s GLU 909 Ca 0.09 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2ka3 s GLU 909 Cb -0.14 -3.29 0.04 0.00 0.26 0.00 0.00 34.13 31.00 2ka3 s GLU 909 CO 0.05 -0.08 -0.02 0.00 -0.54 0.00 0.00 175.26 174.67 2ka3 s ALA 910 N 1.32 1.14 -0.39 6.30 0.00 -1.24 -2.74 121.76 126.15 2ka3 s ALA 910 Ca 0.05 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 2ka3 s ALA 910 Cb -0.15 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2ka3 s ALA 910 CO 0.03 -0.70 0.83 0.08 0.00 0.00 0.00 175.76 176.00 2ka3 s VAL 911 N 1.79 4.66 0.42 0.00 1.01 -1.25 -3.07 120.40 123.96 2ka3 s VAL 911 Ca 0.02 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 2ka3 s VAL 911 Cb -0.14 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 2ka3 s VAL 911 CO -0.07 -0.53 1.40 -0.76 0.00 0.00 0.00 175.10 175.14 2ka3 s LEU 912 N 3.27 4.19 0.04 3.92 1.43 -0.93 -3.95 118.68 126.63 2ka3 s LEU 912 Ca 0.33 2.87 0.06 0.00 -1.03 0.00 0.00 54.13 56.36 2ka3 s LEU 912 Cb -0.12 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 2ka3 s LEU 912 CO 0.19 -1.02 -0.15 -0.55 0.23 0.00 0.00 176.35 175.04 2ka3 s SER 913 N -0.50 3.98 0.22 2.29 0.15 -0.93 -3.86 113.70 115.06 2ka3 s SER 913 Ca 0.58 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 56.56 2ka3 s SER 913 Cb -0.43 -0.71 -0.09 0.00 -1.71 0.00 0.00 66.02 63.08 2ka3 s SER 913 CO 0.56 0.26 0.96 0.00 1.20 0.00 0.00 173.24 176.21 2ka3 s ARG 914 N -1.46 4.82 0.00 5.44 1.70 -1.26 -2.74 118.95 125.45 2ka3 s ARG 914 Ca 0.15 1.51 0.00 0.00 -0.47 0.00 0.00 55.73 56.92 2ka3 s ARG 914 Cb -0.11 -3.29 0.00 0.00 -0.57 0.00 0.00 34.95 30.99 2ka3 s ARG 914 CO 0.06 0.45 0.00 0.45 -1.08 0.00 0.00 175.30 175.18 2ka3 n SER 915 N 1.65 0.00 0.00 -2.89 2.88 -1.26 -4.78 113.62 109.22 2ka3 n SER 915 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2ka3 n SER 915 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2ka3 n SER 915 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ka3 n ASN 916 N 0.00 0.00 -1.47 -3.46 3.02 -1.26 -5.17 115.26 106.93 2ka3 n ASN 916 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.74 2ka3 n ASN 916 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2ka3 n ASN 916 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka3 n GLN 917 N -0.22 -3.24 0.00 3.52 6.02 -1.11 -4.94 117.38 117.41 2ka3 n GLN 917 Ca 0.00 2.49 0.00 0.00 -0.01 0.00 0.00 57.00 59.48 2ka3 n GLN 917 Cb 0.00 -3.85 0.00 0.00 1.02 0.00 0.00 30.24 27.41 2ka3 n GLN 917 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ka3 n GLY 918 N -4.36 3.31 3.06 1.08 0.00 -1.26 -4.81 105.19 102.21 2ka3 n GLY 918 Ca -0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2ka3 n GLY 918 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ka3 n VAL 919 N 0.00 -9.52 -3.24 1.61 0.31 -1.26 -2.18 118.33 104.05 2ka3 n VAL 919 Ca 0.00 0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 64.27 2ka3 n VAL 919 Cb 0.00 -6.49 -0.08 0.00 -0.91 0.00 0.00 33.84 26.36 2ka3 n VAL 919 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka3 s ALA 920 N -2.66 3.48 -0.20 3.52 0.00 -1.25 -3.24 121.76 121.42 2ka3 s ALA 920 Ca 0.16 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.21 2ka3 s ALA 920 Cb -0.04 -3.01 -0.18 0.00 0.00 0.00 0.00 23.12 19.89 2ka3 s ALA 920 CO 0.78 -1.19 -0.07 2.89 0.00 0.00 0.00 175.76 178.17 2ka3 n ARG 921 N 5.73 0.87 -3.17 0.00 1.85 -1.25 -4.28 116.66 116.40 2ka3 n ARG 921 Ca -0.05 0.06 -0.44 0.00 -1.00 0.00 0.00 57.85 56.42 2ka3 n ARG 921 Cb 0.49 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 2ka3 n ARG 921 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2ka3 n VAL 922 N -2.90 4.89 -3.48 8.89 0.31 -1.26 -4.35 118.33 120.43 2ka3 n VAL 922 Ca -0.34 -5.58 -0.37 0.00 -0.01 0.00 0.00 64.34 58.04 2ka3 n VAL 922 Cb 0.99 -2.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 2ka3 n VAL 922 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ka3 s ASP 923 N 0.06 6.51 -0.14 4.52 2.15 -1.26 -3.82 116.67 124.69 2ka3 s ASP 923 Ca 0.31 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.85 2ka3 s ASP 923 Cb -0.03 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.44 2ka3 s ASP 923 CO 0.00 0.08 0.16 -0.55 -0.17 0.00 0.00 175.17 174.69 2ka3 s SER 924 N 0.48 1.33 -0.99 -0.34 0.15 -1.11 -5.05 113.70 108.16 2ka3 s SER 924 Ca 0.19 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.65 2ka3 s SER 924 Cb -0.14 0.18 0.24 0.00 -1.71 0.00 0.00 66.02 64.59 2ka3 s SER 924 CO 0.06 -0.30 1.00 -0.83 1.20 0.00 0.00 173.24 174.37 2ka3 s GLY 925 N 2.27 2.86 0.00 9.45 0.00 -1.26 -2.15 107.32 118.48 2ka3 s GLY 925 Ca 0.04 -3.53 0.06 0.00 0.00 0.00 0.00 44.72 41.29 2ka3 s GLY 925 CO -0.08 1.40 0.81 0.61 0.00 0.00 0.00 173.10 175.84 2ka3 n GLY 926 N 3.50 -0.43 0.32 0.20 0.00 -1.23 -5.03 105.19 102.52 2ka3 n GLY 926 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ka3 n GLY 926 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ka3 n THR 946 N -0.73 0.00 -5.08 2.61 -1.04 -1.26 -3.56 114.28 105.21 2ka3 n THR 946 Ca 0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.74 2ka3 n THR 946 Cb 0.02 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.38 2ka3 n THR 946 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2ka3 s LEU 947 N 0.00 2.33 0.08 -4.42 1.43 -1.26 -4.98 118.68 111.86 2ka3 s LEU 947 Ca 0.00 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2ka3 s LEU 947 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2ka3 s LEU 947 CO 0.00 0.22 -0.01 -0.83 0.23 0.00 0.00 176.35 175.96 2ka3 s GLY 948 N -0.01 0.65 -0.10 -3.19 0.00 -1.26 -5.01 107.32 98.39 2ka3 s GLY 948 Ca -0.07 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.38 2ka3 s GLY 948 CO 0.05 -1.35 -0.16 -1.34 0.00 0.00 0.00 173.10 170.30 2ka3 s VAL 949 N -3.90 1.50 0.02 1.40 -7.23 -1.26 -3.78 120.40 107.15 2ka3 s VAL 949 Ca 0.12 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2ka3 s VAL 949 Cb 0.08 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 2ka3 s VAL 949 CO -0.06 0.44 -0.03 0.72 -0.31 0.00 0.00 175.10 175.86 2ka3 s PHE 950 N 0.90 0.27 -0.07 2.82 -0.12 -1.26 -5.02 117.98 115.50 2ka3 s PHE 950 Ca -0.08 -0.50 -0.00 0.00 -0.05 0.00 0.00 56.93 56.29 2ka3 s PHE 950 Cb -0.15 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 2ka3 s PHE 950 CO -0.00 -0.17 -0.06 0.43 -0.05 0.00 0.00 175.22 175.36 2ka3 n SER 951 N 1.68 2.90 -0.08 1.98 7.64 -1.26 -4.41 113.62 122.07 2ka3 n SER 951 Ca -0.23 -0.01 -0.16 0.00 1.01 0.00 0.00 58.87 59.48 2ka3 n SER 951 Cb 0.55 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 2ka3 n SER 951 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2ka3 h LEU 952 N -0.05 0.00 0.00 -3.43 5.85 -1.94 -3.46 115.31 112.28 2ka3 h LEU 952 Ca -0.15 -0.86 -0.08 0.00 0.84 0.00 0.00 57.88 57.63 2ka3 h LEU 952 Cb 1.21 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.27 2ka3 h LEU 952 CO -0.04 1.12 0.05 2.30 -0.34 0.00 0.00 178.44 181.53 2ka3 n ILE 953 N -4.57 0.00 -2.85 4.05 -5.35 -1.26 -4.23 119.36 105.15 2ka3 n ILE 953 Ca -0.16 -0.22 -0.04 0.00 -0.27 0.00 0.00 62.75 62.06 2ka3 n ILE 953 Cb 0.53 -1.66 0.00 0.00 -1.74 0.00 0.00 39.64 36.77 2ka3 n ILE 953 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2ka3 s LEU 954 N 0.00 -1.36 -0.93 7.28 -0.00 -1.26 -4.91 118.68 117.50 2ka3 s LEU 954 Ca 0.13 -1.64 -0.24 0.00 -0.00 0.00 0.00 54.13 52.37 2ka3 s LEU 954 Cb -0.00 1.82 -0.00 0.00 -0.00 0.00 0.00 46.19 48.00 2ka3 s LEU 954 CO 0.09 -0.07 1.72 -2.16 -0.00 0.00 0.00 176.35 175.93 2ka3 s PRO 955 N 0.99 2.99 0.05 1.48 0.04 -1.26 -4.93 135.00 134.36 2ka3 s PRO 955 Ca 0.28 -0.57 0.09 0.00 0.04 0.00 0.00 61.00 60.83 2ka3 s PRO 955 Cb -0.01 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.39 2ka3 s PRO 955 CO -0.06 -2.84 -0.24 -0.51 0.04 0.00 0.00 177.00 173.39 2ka3 s LEU 956 N 7.86 2.18 0.38 -3.56 1.02 -1.26 -4.97 118.68 120.32 2ka3 s LEU 956 Ca 0.59 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 54.13 2ka3 s LEU 956 Cb -0.04 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 2ka3 s LEU 956 CO -0.03 0.21 0.64 -1.10 0.02 0.00 0.00 176.35 176.09 2ka3 s GLN 957 N -1.28 3.57 -0.04 1.70 -0.21 -1.26 -5.02 119.66 117.11 2ka3 s GLN 957 Ca 0.10 -0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 2ka3 s GLN 957 Cb -0.10 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 2ka3 s GLN 957 CO 0.02 0.05 1.40 0.00 -2.12 0.00 0.00 175.29 174.64 2ka3 s ALA 958 N -2.38 3.59 0.00 6.09 0.00 -1.26 -3.11 121.76 124.69 2ka3 s ALA 958 Ca 0.44 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2ka3 s ALA 958 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2ka3 s ALA 958 CO 0.37 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2ka3 n GLY 959 N 3.69 1.39 3.65 0.00 0.00 -0.73 -5.05 105.19 108.14 2ka3 n GLY 959 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2ka3 n GLY 959 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka3 s ASP 960 N -2.28 1.64 -0.03 1.61 1.11 -1.18 -4.76 116.67 112.77 2ka3 s ASP 960 Ca 0.00 0.73 -0.01 0.00 0.18 0.00 0.00 52.55 53.45 2ka3 s ASP 960 Cb 0.00 -1.06 0.03 0.00 1.07 0.00 0.00 42.92 42.96 2ka3 s ASP 960 CO 0.00 -3.69 0.06 -0.89 1.18 0.00 0.00 175.17 171.83 2ka3 s THR 961 N -3.10 -0.07 0.20 -1.27 2.01 -1.26 -3.76 115.64 108.39 2ka3 s THR 961 Ca 0.70 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.85 2ka3 s THR 961 Cb -0.11 -0.12 -0.07 0.00 0.01 0.00 0.00 72.50 72.21 2ka3 s THR 961 CO 0.56 0.10 0.51 0.68 -0.69 0.00 0.00 174.62 175.78 2ka3 s VAL 962 N 1.28 4.98 -0.06 3.82 -7.23 -1.19 -4.53 120.40 117.47 2ka3 s VAL 962 Ca -0.07 0.41 -0.05 0.00 -1.81 0.00 0.00 61.98 60.47 2ka3 s VAL 962 Cb -0.13 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.21 2ka3 s VAL 962 CO -0.04 -0.01 0.16 0.00 -0.31 0.00 0.00 175.10 174.90 2ka3 s VAL 964 N 0.44 5.25 -0.14 0.00 1.01 -1.26 -2.20 120.40 123.50 2ka3 s VAL 964 Ca -0.03 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 2ka3 s VAL 964 Cb -0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ka3 s VAL 964 CO -0.02 0.35 -0.02 -0.62 0.00 0.00 0.00 175.10 174.80 2ka3 s ASP 965 N 0.57 5.00 -0.54 3.32 2.15 -1.18 -4.91 116.67 121.08 2ka3 s ASP 965 Ca 0.21 -0.04 0.06 0.00 0.43 0.00 0.00 52.55 53.20 2ka3 s ASP 965 Cb -0.14 -1.72 0.20 0.00 -0.30 0.00 0.00 42.92 40.96 2ka3 s ASP 965 CO 0.07 0.22 0.51 -0.11 -0.17 0.00 0.00 175.17 175.68 2ka3 n LEU 966 N 3.21 1.51 -3.15 -1.34 7.94 -1.26 -3.72 117.00 120.18 2ka3 n LEU 966 Ca -0.17 -4.90 0.04 0.00 -1.11 0.00 0.00 56.01 49.87 2ka3 n LEU 966 Cb 0.53 -0.05 -0.00 0.00 0.53 0.00 0.00 43.42 44.43 2ka3 n LEU 966 CO 0.32 1.92 0.13 -0.69 -1.11 0.00 0.00 177.39 177.96 2ka3 s VAL 967 N -1.16 -0.96 -0.46 1.96 1.01 -1.26 -5.05 120.40 114.48 2ka3 s VAL 967 Ca 0.33 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2ka3 s VAL 967 Cb 0.07 -0.97 0.23 0.00 0.00 0.00 0.00 36.38 35.71 2ka3 s VAL 967 CO -0.13 0.00 0.73 0.23 0.00 0.00 0.00 175.10 175.93 2ka3 n MET 968 N 5.41 0.69 0.00 2.72 2.81 -1.26 -5.05 117.12 122.44 2ka3 n MET 968 Ca 0.04 -2.28 0.00 0.00 -1.81 0.00 0.00 57.70 53.65 2ka3 n MET 968 Cb 0.54 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 2ka3 n MET 968 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ka3 n GLY 969 N 1.81 3.49 0.00 3.03 0.00 -1.26 -4.21 105.19 108.05 2ka3 n GLY 969 Ca 0.15 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 2ka3 n GLY 969 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ka3 n GLN 970 N -1.09 3.47 -3.04 1.61 7.27 -1.26 -4.83 117.38 119.52 2ka3 n GLN 970 Ca 0.00 -0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 2ka3 n GLN 970 Cb 0.00 -1.02 -0.02 0.00 2.41 0.00 0.00 30.24 31.61 2ka3 n GLN 970 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2ka3 s LEU 971 N -3.97 5.46 0.00 1.69 2.96 -1.26 -4.91 118.68 118.66 2ka3 s LEU 971 Ca -0.00 -2.49 0.00 0.00 -0.22 0.00 0.00 54.13 51.41 2ka3 s LEU 971 Cb 0.00 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.34 2ka3 s LEU 971 CO 0.04 -0.84 0.00 0.00 -1.32 0.00 0.00 176.35 174.23 2ka3 n ALA 972 N 5.58 0.00 -2.38 5.97 0.00 -1.26 -5.15 120.51 123.27 2ka3 n ALA 972 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 2ka3 n ALA 972 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2ka3 n ALA 972 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ka3 s HIS 973 N -1.18 1.86 -0.12 0.00 2.46 -1.26 -5.13 115.29 111.92 2ka3 s HIS 973 Ca 0.00 -0.54 -0.15 0.00 0.47 0.00 0.00 55.06 54.84 2ka3 s HIS 973 Cb 0.00 -0.88 -0.05 0.00 -0.13 0.00 0.00 32.58 31.52 2ka3 s HIS 973 CO 0.00 0.42 0.37 0.45 -2.47 0.00 0.00 174.74 173.51 2ka3 s SER 974 N -3.37 6.58 -0.03 9.88 0.15 -1.26 -5.06 113.70 120.58 2ka3 s SER 974 Ca 0.25 0.69 -0.28 0.00 0.70 0.00 0.00 55.95 57.31 2ka3 s SER 974 Cb -0.01 -2.23 0.06 0.00 -1.71 0.00 0.00 66.02 62.14 2ka3 s SER 974 CO 0.09 0.11 0.61 -0.70 1.20 0.00 0.00 173.24 174.55 2ka3 s GLU 975 N 0.21 1.00 -0.20 5.44 -6.30 -1.26 -5.15 118.70 112.44 2ka3 s GLU 975 Ca 0.21 0.14 0.01 0.00 -2.50 0.00 0.00 54.97 52.82 2ka3 s GLU 975 Cb -0.14 0.47 0.05 0.00 0.00 0.00 0.00 34.13 34.50 2ka3 s GLU 975 CO 0.08 -0.31 -0.08 -1.83 0.02 0.00 0.00 175.26 173.13 2ka3 s GLU 976 N -1.35 1.80 0.51 4.30 4.04 -1.26 -5.14 118.70 121.60 2ka3 s GLU 976 Ca -0.11 -0.83 0.07 0.00 0.04 0.00 0.00 54.97 54.15 2ka3 s GLU 976 Cb -0.01 -2.39 0.05 0.00 0.02 0.00 0.00 34.13 31.80 2ka3 s GLU 976 CO 0.08 -0.48 0.70 -1.25 -1.84 0.00 0.00 175.26 172.47 2ka3 s PRO 977 N 1.44 2.53 -0.01 -4.83 0.04 -1.26 -5.09 135.00 127.82 2ka3 s PRO 977 Ca -0.02 -1.33 0.07 0.00 0.04 0.00 0.00 61.00 59.75 2ka3 s PRO 977 Cb -0.17 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2ka3 s PRO 977 CO -0.07 -0.61 -0.21 -0.51 0.04 0.00 0.00 177.00 175.64 2ka3 s LEU 978 N -4.56 2.39 0.00 -3.56 1.02 -1.26 -5.02 118.68 107.69 2ka3 s LEU 978 Ca 0.59 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.35 2ka3 s LEU 978 Cb -0.08 -1.44 -0.00 0.00 0.02 0.00 0.00 46.19 44.69 2ka3 s LEU 978 CO 0.36 0.31 -0.01 0.42 0.02 0.00 0.00 176.35 177.45 2ka3 s THR 979 N -0.73 0.07 -0.10 5.49 -4.23 -1.26 -4.88 115.64 109.99 2ka3 s THR 979 Ca 0.12 -0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2ka3 s THR 979 Cb -0.10 -0.10 -0.00 0.00 1.34 0.00 0.00 72.50 73.64 2ka3 s THR 979 CO 0.01 -0.09 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.14 2ka3 s ILE 980 N -0.31 2.13 -0.27 2.99 -1.09 -1.26 -4.47 121.20 118.91 2ka3 s ILE 980 Ca -0.03 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.40 2ka3 s ILE 980 Cb -0.02 -1.81 0.08 0.00 -1.58 0.00 0.00 42.46 39.12 2ka3 s ILE 980 CO -0.00 0.56 0.00 0.12 -1.23 0.00 0.00 174.94 174.39 2ka3 s PHE 981 N 0.36 2.49 0.28 3.97 2.19 -1.22 -3.09 117.98 122.95 2ka3 s PHE 981 Ca -0.18 -1.98 0.06 0.00 0.33 0.00 0.00 56.93 55.16 2ka3 s PHE 981 Cb -0.18 -1.87 -0.02 0.00 -1.31 0.00 0.00 43.02 39.64 2ka3 s PHE 981 CO 0.08 -0.83 0.37 -1.54 1.83 0.00 0.00 175.22 175.13 2ka3 s SER 982 N 1.36 6.03 0.00 6.13 1.04 -1.19 -2.19 113.70 124.88 2ka3 s SER 982 Ca 0.01 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2ka3 s SER 982 Cb -0.18 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.39 2ka3 s SER 982 CO -0.11 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2ka3 n GLY 983 N -1.44 -0.18 3.37 7.32 0.00 -0.87 -3.59 105.19 109.80 2ka3 n GLY 983 Ca -0.06 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 2ka3 n GLY 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka3 s ALA 984 N 0.00 2.34 -0.10 4.61 0.00 -0.82 -2.80 121.76 124.99 2ka3 s ALA 984 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 2ka3 s ALA 984 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2ka3 s ALA 984 CO 0.00 0.54 1.19 -1.17 0.00 0.00 0.00 175.76 176.33 2ka3 s LEU 985 N -1.34 4.24 -0.20 0.00 2.96 -1.25 -1.33 118.68 121.75 2ka3 s LEU 985 Ca 0.13 1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 55.60 2ka3 s LEU 985 Cb -0.10 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 2ka3 s LEU 985 CO 0.03 -0.63 -0.30 -0.11 -1.32 0.00 0.00 176.35 174.02 2ka3 n LEU 986 N 5.67 1.92 -3.95 -0.68 7.94 -1.15 -4.92 117.00 121.83 2ka3 n LEU 986 Ca 0.12 0.38 -0.23 0.00 -1.11 0.00 0.00 56.01 55.16 2ka3 n LEU 986 Cb 0.46 -0.79 -0.17 0.00 0.53 0.00 0.00 43.42 43.46 2ka3 n LEU 986 CO 0.55 -0.06 -0.44 -0.47 -1.11 0.00 0.00 177.39 175.86 2ka3 s TYR 987 N -2.70 1.20 -0.16 1.96 5.04 -0.61 -5.04 117.35 117.04 2ka3 s TYR 987 Ca -0.30 -0.45 -0.14 0.00 -2.44 0.00 0.00 57.07 53.75 2ka3 s TYR 987 Cb 0.07 -0.95 -0.05 0.00 0.35 0.00 0.00 41.96 41.38 2ka3 s TYR 987 CO 0.43 -0.29 0.29 0.20 -1.34 0.00 0.00 175.55 174.84 2ka3 s GLY 988 N 0.95 2.20 0.09 8.97 0.00 -1.26 -1.49 107.32 116.77 2ka3 s GLY 988 Ca -0.10 -0.47 -0.31 0.00 0.00 0.00 0.00 44.72 43.85 2ka3 s GLY 988 CO 0.00 0.42 1.39 0.99 0.00 0.00 0.00 173.10 175.91 2ka3 s ASP 989 N 0.48 6.84 -0.93 1.64 1.01 -1.21 -4.97 116.67 119.54 2ka3 s ASP 989 Ca 0.16 2.27 -0.04 0.00 0.71 0.00 0.00 52.55 55.65 2ka3 s ASP 989 Cb -0.13 -2.58 0.23 0.00 1.01 0.00 0.00 42.92 41.45 2ka3 s ASP 989 CO 0.03 -0.66 0.84 -2.16 0.21 0.00 0.00 175.17 173.43 2ka3 s PRO 990 N 1.38 3.47 0.00 8.23 0.04 -1.26 -4.85 135.00 142.01 2ka3 s PRO 990 Ca 0.64 -3.18 0.00 0.00 0.04 0.00 0.00 61.00 58.50 2ka3 s PRO 990 Cb -0.35 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2ka3 s PRO 990 CO 0.30 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.47 2ka3 n GLU 991 N 2.57 0.00 -3.91 4.56 1.02 -1.26 -4.81 120.64 118.81 2ka3 n GLU 991 Ca 0.21 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.04 2ka3 n GLU 991 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2ka3 n GLU 991 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ka3 n LEU 992 N 0.00 -1.91 -4.44 -4.62 4.77 -1.26 -4.99 117.00 104.55 2ka3 n LEU 992 Ca 0.00 -0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 54.87 2ka3 n LEU 992 Cb 0.00 -2.24 -0.13 0.00 -2.33 0.00 0.00 43.42 38.72 2ka3 n LEU 992 CO 0.00 0.31 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.35 2ka3 s GLU 993 N -6.60 3.42 -0.23 3.23 2.02 -1.26 -5.08 118.70 114.20 2ka3 s GLU 993 Ca 0.64 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 55.01 2ka3 s GLU 993 Cb -0.34 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.23 2ka3 s GLU 993 CO 0.78 0.27 -0.02 -1.01 0.02 0.00 0.00 175.26 175.30 2ka3 s HIS 994 N 0.23 2.05 0.00 1.61 3.76 -1.26 -5.25 115.29 116.42 2ka3 s HIS 994 Ca -0.06 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.30 2ka3 s HIS 994 Cb -0.15 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.07 2ka3 s HIS 994 CO 0.04 -0.74 0.00 0.00 -0.85 0.00 0.00 174.74 173.19