#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 1.48 -0.19 0.52 1.01 -1.26 -5.02 120.40 116.94 2ka3 s VAL 847 Ca 0.00 -0.58 0.21 0.00 0.00 0.00 0.00 61.98 61.61 2ka3 s VAL 847 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 2ka3 s VAL 847 CO 0.00 0.44 0.93 -0.81 0.00 0.00 0.00 175.10 175.66 2ka3 n PRO 848 N 4.73 0.61 -3.37 2.72 -0.04 -1.26 -5.01 135.00 133.38 2ka3 n PRO 848 Ca -0.17 0.12 -0.21 0.00 -0.04 0.00 0.00 63.50 63.20 2ka3 n PRO 848 Cb 0.50 -1.79 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.69 -1.20 -5.14 0.54 7.27 -1.26 -4.99 117.38 109.91 2ka3 n GLN 849 Ca -0.03 0.64 -0.32 0.00 0.07 0.00 0.00 57.00 57.36 2ka3 n GLN 849 Cb 0.63 -1.62 -0.15 0.00 2.41 0.00 0.00 30.24 31.50 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 -2.45 2.39 0.08 1.69 1.01 -1.26 -5.05 120.40 116.81 2ka3 s VAL 850 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2ka3 s VAL 850 Cb -0.01 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2ka3 s VAL 850 CO 0.67 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.27 2ka3 s ALA 851 N -0.34 0.84 -0.13 5.51 0.00 -1.26 -3.80 121.76 122.59 2ka3 s ALA 851 Ca 0.02 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 2ka3 s ALA 851 Cb -0.12 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.13 2ka3 s ALA 851 CO 0.02 -0.13 0.33 -0.59 0.00 0.00 0.00 175.76 175.39 2ka3 s PHE 852 N -2.66 -0.38 -0.30 0.00 -0.12 -1.09 -3.41 117.98 110.03 2ka3 s PHE 852 Ca 0.03 0.90 -0.13 0.00 -0.05 0.00 0.00 56.93 57.68 2ka3 s PHE 852 Cb -0.01 0.13 0.17 0.00 -0.63 0.00 0.00 43.02 42.67 2ka3 s PHE 852 CO -0.02 -0.19 0.94 0.45 -0.05 0.00 0.00 175.22 176.35 2ka3 s SER 853 N 0.33 -0.66 0.16 1.98 0.15 -0.03 -2.00 113.70 113.64 2ka3 s SER 853 Ca -0.01 0.75 0.10 0.00 0.70 0.00 0.00 55.95 57.48 2ka3 s SER 853 Cb -0.03 1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 65.93 2ka3 s SER 853 CO -0.01 -0.13 -0.21 0.00 1.20 0.00 0.00 173.24 174.09 2ka3 s ALA 854 N 2.61 2.18 0.06 5.45 0.00 -0.87 -1.94 121.76 129.24 2ka3 s ALA 854 Ca -0.00 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2ka3 s ALA 854 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2ka3 s ALA 854 CO -0.17 0.34 -0.05 0.00 0.00 0.00 0.00 175.76 175.88 2ka3 s ALA 855 N -1.74 0.59 -0.07 0.00 0.00 -0.20 -3.31 121.76 117.05 2ka3 s ALA 855 Ca 0.16 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2ka3 s ALA 855 Cb -0.07 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.22 2ka3 s ALA 855 CO 0.07 -0.19 -0.10 -1.17 0.00 0.00 0.00 175.76 174.37 2ka3 s LEU 856 N -2.32 1.52 0.00 0.00 1.98 -1.26 -2.19 118.68 116.41 2ka3 s LEU 856 Ca -0.01 -0.26 0.00 0.00 -2.89 0.00 0.00 54.13 50.98 2ka3 s LEU 856 Cb -0.01 -0.74 0.00 0.00 0.66 0.00 0.00 46.19 46.10 2ka3 s LEU 856 CO -0.04 -0.00 0.20 -1.54 -1.89 0.00 0.00 176.35 173.07 2ka3 n SER 857 N 3.99 0.00 -0.21 3.68 3.41 -1.26 -4.81 113.62 118.43 2ka3 n SER 857 Ca -0.22 -0.95 -0.02 0.00 -0.26 0.00 0.00 58.87 57.42 2ka3 n SER 857 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.10 0.08 1.04 -0.00 -1.26 -4.94 117.00 111.82 2ka3 n LEU 858 Ca 0.00 0.05 -0.23 0.00 -0.00 0.00 0.00 56.01 55.83 2ka3 n LEU 858 Cb 0.47 -0.04 -0.15 0.00 -0.00 0.00 0.00 43.42 43.70 2ka3 n LEU 858 CO 0.00 -0.17 -0.43 1.55 -0.00 0.00 0.00 177.39 178.35 2ka3 h PRO 859 N 0.03 0.40 -2.71 1.47 0.13 -2.06 -3.49 132.00 125.77 2ka3 h PRO 859 Ca -0.02 -0.69 0.09 0.00 -0.87 0.00 0.00 66.00 64.52 2ka3 h PRO 859 Cb 0.07 0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 2ka3 h PRO 859 CO 0.02 1.33 0.42 -0.98 -0.23 0.00 0.00 178.00 178.56 2ka3 s ARG 860 N -2.56 1.67 0.00 0.86 1.70 -1.26 -5.14 118.95 114.22 2ka3 s ARG 860 Ca -0.15 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 2ka3 s ARG 860 Cb 0.05 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 2ka3 s ARG 860 CO 0.86 -0.78 0.00 0.43 -1.08 0.00 0.00 175.30 174.73 2ka3 n SER 861 N -1.07 0.00 -4.39 -2.89 7.64 -1.26 -4.96 113.62 106.69 2ka3 n SER 861 Ca -0.06 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 2ka3 n SER 861 Cb 0.60 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.68 0.00 1.43 2.12 -1.26 -5.03 118.70 117.64 2ka3 s GLU 862 Ca 0.00 -1.19 0.23 0.00 0.36 0.00 0.00 54.97 54.37 2ka3 s GLU 862 Cb 0.00 -1.99 1.00 0.00 0.26 0.00 0.00 34.13 33.40 2ka3 s GLU 862 CO 0.00 0.49 1.75 -0.35 -0.54 0.00 0.00 175.26 176.61 2ka3 n PRO 863 N 1.32 0.00 0.00 4.30 -0.04 -1.26 -4.93 135.00 134.39 2ka3 n PRO 863 Ca -0.17 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2ka3 n PRO 863 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.92 3.87 3.81 0.55 0.00 -1.26 -5.16 105.19 107.92 2ka3 n GLY 864 Ca 0.06 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.08 4.44 0.34 2.61 2.01 -1.26 -5.02 115.64 118.67 2ka3 s THR 865 Ca 0.00 1.43 -0.29 0.00 0.31 0.00 0.00 61.69 63.14 2ka3 s THR 865 Cb 0.00 -3.80 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 2ka3 s THR 865 CO 0.00 -0.01 1.44 0.68 -0.69 0.00 0.00 174.62 176.04 2ka3 s VAL 866 N -1.79 2.34 0.00 3.82 -7.23 -1.26 -5.06 120.40 111.21 2ka3 s VAL 866 Ca 0.52 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 61.01 2ka3 s VAL 866 Cb -0.14 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2ka3 s VAL 866 CO 0.19 0.07 0.00 -0.81 -0.31 0.00 0.00 175.10 174.24 2ka3 n PRO 867 N 1.02 3.90 -3.70 4.82 -0.04 -1.26 -4.64 135.00 135.10 2ka3 n PRO 867 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2ka3 n PRO 867 Cb 0.40 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 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 2.93 -0.58 -0.05 0.54 -0.71 -1.26 -4.82 117.98 114.03 2ka3 s PHE 868 Ca 0.00 1.26 0.02 0.00 -1.04 0.00 0.00 56.93 57.17 2ka3 s PHE 868 Cb 0.00 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 2ka3 s PHE 868 CO 0.00 -0.33 0.07 -0.40 -1.34 0.00 0.00 175.22 173.22 2ka3 n ASP 869 N 4.08 2.32 -4.32 1.98 5.75 -1.16 -4.88 116.55 120.32 2ka3 n ASP 869 Ca -0.22 -0.27 -0.45 0.00 -0.01 0.00 0.00 54.79 53.83 2ka3 n ASP 869 Cb 0.55 1.05 -0.02 0.00 -1.03 0.00 0.00 41.12 41.68 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 -1.67 3.82 -0.67 0.11 1.81 -0.93 -4.98 118.95 116.43 2ka3 s ARG 870 Ca -0.00 -2.83 -0.26 0.00 -1.72 0.00 0.00 55.73 50.92 2ka3 s ARG 870 Cb 0.01 -4.44 -0.01 0.00 -0.45 0.00 0.00 34.95 30.06 2ka3 s ARG 870 CO 0.09 -1.26 1.78 0.08 -0.68 0.00 0.00 175.30 175.30 2ka3 s VAL 871 N -0.53 3.43 -0.06 3.52 1.01 -1.26 -1.03 120.40 125.48 2ka3 s VAL 871 Ca 0.24 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 2ka3 s VAL 871 Cb -0.10 -4.12 -0.27 0.00 0.00 0.00 0.00 36.38 31.89 2ka3 s VAL 871 CO -0.09 -1.08 0.61 -0.07 0.00 0.00 0.00 175.10 174.47 2ka3 h LEU 872 N 16.02 0.39 -6.98 3.92 3.38 -1.76 -3.46 115.31 126.81 2ka3 h LEU 872 Ca -0.21 -0.70 0.08 0.00 0.09 0.00 0.00 57.88 57.14 2ka3 h LEU 872 Cb 1.12 -0.13 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 2ka3 h LEU 872 CO 1.23 1.61 0.25 -0.22 0.09 0.00 0.00 178.44 181.40 2ka3 s LEU 873 N -6.94 -0.67 -0.33 1.67 2.96 -1.23 -5.02 118.68 109.12 2ka3 s LEU 873 Ca -0.15 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.85 2ka3 s LEU 873 Cb 0.07 1.96 0.32 0.00 0.50 0.00 0.00 46.19 49.03 2ka3 s LEU 873 CO 0.82 -0.17 1.36 -3.20 -1.32 0.00 0.00 176.35 173.84 2ka3 n ASN 874 N 3.98 -1.30 -0.19 3.68 2.85 -1.24 -0.85 115.26 122.19 2ka3 n ASN 874 Ca -0.19 -1.95 -0.05 0.00 -0.11 0.00 0.00 54.58 52.28 2ka3 n ASN 874 Cb 0.58 1.12 0.04 0.00 1.24 0.00 0.00 39.78 42.76 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 2.39 0.55 0.30 1.20 2.03 -1.97 -3.23 116.42 117.69 2ka3 h ASP 875 Ca -0.29 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.68 2ka3 h ASP 875 Cb 1.21 -0.12 -0.05 0.00 -0.83 0.00 0.00 39.33 39.54 2ka3 h ASP 875 CO -0.03 0.39 -1.95 0.61 -1.03 0.00 0.00 179.24 177.23 2ka3 n GLY 876 N -1.25 -0.91 0.00 7.15 0.00 -1.26 -5.01 105.19 103.91 2ka3 n GLY 876 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.70 2.88 5.18 -0.02 0.00 -1.22 -5.01 105.19 108.69 2ka3 n GLY 877 Ca -0.24 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.45 1.61 4.01 -1.26 -4.64 117.16 113.43 2ka3 n TYR 878 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2ka3 n TYR 878 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 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 3.24 -0.28 -0.72 1.13 -1.26 -4.07 117.35 115.39 2ka3 s TYR 879 Ca 0.00 0.32 -0.29 0.00 -1.41 0.00 0.00 57.07 55.69 2ka3 s TYR 879 Cb 0.00 -2.51 0.01 0.00 -1.10 0.00 0.00 41.96 38.36 2ka3 s TYR 879 CO 0.00 -0.21 1.12 -0.51 -2.51 0.00 0.00 175.55 173.44 2ka3 s ASP 880 N 1.68 6.94 0.00 -0.18 1.01 -1.07 -4.93 116.67 120.12 2ka3 s ASP 880 Ca 0.12 1.23 0.24 0.00 0.71 0.00 0.00 52.55 54.85 2ka3 s ASP 880 Cb -0.16 -2.54 0.71 0.00 1.01 0.00 0.00 42.92 41.94 2ka3 s ASP 880 CO 0.10 -0.84 1.54 -0.81 0.21 0.00 0.00 175.17 175.37 2ka3 n PRO 881 N 6.77 1.92 0.02 8.23 -0.04 -1.26 -0.34 135.00 150.29 2ka3 n PRO 881 Ca 0.13 -1.36 -0.19 0.00 -0.04 0.00 0.00 63.50 62.03 2ka3 n PRO 881 Cb 0.46 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 2.97 0.23 0.00 0.54 5.08 -1.92 -3.34 114.58 118.14 2ka3 h GLU 882 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2ka3 h GLU 882 Cb 0.64 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2ka3 h GLU 882 CO 0.00 1.19 -0.97 0.25 -1.00 0.00 0.00 179.01 178.47 2ka3 n THR 883 N -4.21 0.00 -1.45 1.13 -2.24 -1.25 -4.98 114.28 101.27 2ka3 n THR 883 Ca -0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2ka3 n THR 883 Cb 0.76 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 3.36 3.38 0.00 0.54 -4.56 105.19 109.96 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 5.22 -0.37 1.61 1.01 -0.77 -4.28 120.40 120.83 2ka3 s VAL 885 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 2ka3 s VAL 885 Cb 0.00 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2ka3 s VAL 885 CO 0.00 -0.67 0.24 0.12 0.00 0.00 0.00 175.10 174.79 2ka3 s PHE 886 N 1.63 3.23 -0.43 5.22 2.19 -1.24 -2.61 117.98 125.97 2ka3 s PHE 886 Ca 0.04 -0.57 -0.15 0.00 0.33 0.00 0.00 56.93 56.58 2ka3 s PHE 886 Cb -0.26 -2.49 0.04 0.00 -1.31 0.00 0.00 43.02 39.00 2ka3 s PHE 886 CO 0.05 -0.52 0.33 0.99 1.83 0.00 0.00 175.22 177.90 2ka3 s THR 887 N 1.65 5.15 -0.44 0.12 2.01 -1.26 -3.67 115.64 119.20 2ka3 s THR 887 Ca 0.05 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 2ka3 s THR 887 Cb -0.18 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.39 2ka3 s THR 887 CO 0.09 -0.41 0.69 0.00 -0.69 0.00 0.00 174.62 174.29 2ka3 s ALA 888 N 1.64 3.33 -2.14 7.40 0.00 -1.26 -4.71 121.76 126.02 2ka3 s ALA 888 Ca 0.04 -1.15 0.27 0.00 0.00 0.00 0.00 51.96 51.12 2ka3 s ALA 888 Cb -0.21 -3.36 0.91 0.00 0.00 0.00 0.00 23.12 20.46 2ka3 s ALA 888 CO 0.08 -1.84 1.66 -0.35 0.00 0.00 0.00 175.76 175.31 2ka3 n PRO 889 N 6.41 1.26 -0.18 0.00 -0.04 -1.26 -1.86 135.00 139.34 2ka3 n PRO 889 Ca -0.00 -0.74 -0.10 0.00 -0.04 0.00 0.00 63.50 62.62 2ka3 n PRO 889 Cb 0.48 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2ka3 n PRO 889 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ka3 h LEU 890 N 1.80 -1.60 -2.49 1.53 6.46 -1.95 -3.47 115.31 115.60 2ka3 h LEU 890 Ca 0.00 0.24 -0.15 0.00 -0.12 0.00 0.00 57.88 57.85 2ka3 h LEU 890 Cb 0.50 0.70 0.10 0.00 -0.73 0.00 0.00 40.66 41.23 2ka3 h LEU 890 CO 0.00 -0.36 -0.48 0.00 -0.62 0.00 0.00 178.44 176.99 2ka3 n ALA 891 N -3.12 -2.51 -3.00 1.25 0.00 -1.26 -4.80 120.51 107.07 2ka3 n ALA 891 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ka3 n ALA 891 Cb 0.35 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.17 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 -1.51 1.04 3.65 0.00 0.00 -1.26 -3.13 105.19 103.97 2ka3 n GLY 892 Ca -0.05 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.03 4.15 0.05 1.61 3.52 -0.55 -4.93 118.95 121.77 2ka3 s ARG 893 Ca 0.00 0.39 0.07 0.00 -0.13 0.00 0.00 55.73 56.06 2ka3 s ARG 893 Cb 0.00 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2ka3 s ARG 893 CO 0.00 -0.23 -0.16 -0.47 -0.81 0.00 0.00 175.30 173.63 2ka3 s TYR 894 N 1.91 2.61 -0.27 5.12 5.04 -1.26 -2.18 117.35 128.32 2ka3 s TYR 894 Ca 0.23 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.59 2ka3 s TYR 894 Cb -0.15 -1.47 0.01 0.00 0.35 0.00 0.00 41.96 40.69 2ka3 s TYR 894 CO 0.09 0.29 0.04 -1.17 -1.34 0.00 0.00 175.55 173.46 2ka3 s LEU 895 N -1.54 3.58 -0.06 6.97 2.96 -1.08 -4.75 118.68 124.76 2ka3 s LEU 895 Ca 0.16 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2ka3 s LEU 895 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2ka3 s LEU 895 CO 0.06 -0.15 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.59 2ka3 s LEU 896 N 1.46 2.78 -0.10 -0.68 0.20 -1.26 -2.32 118.68 118.76 2ka3 s LEU 896 Ca 0.03 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.62 2ka3 s LEU 896 Cb -0.17 -1.57 0.05 0.00 -0.43 0.00 0.00 46.19 44.08 2ka3 s LEU 896 CO 0.00 0.34 0.18 -0.44 -0.29 0.00 0.00 176.35 176.14 2ka3 s SER 897 N -0.68 0.71 0.16 3.68 0.01 -1.24 -4.89 113.70 111.45 2ka3 s SER 897 Ca 0.10 0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.78 2ka3 s SER 897 Cb -0.11 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 2ka3 s SER 897 CO 0.01 -0.25 0.09 0.00 0.41 0.00 0.00 173.24 173.50 2ka3 s ALA 898 N 2.32 3.46 -0.25 1.44 0.00 -1.26 -3.21 121.76 124.26 2ka3 s ALA 898 Ca 0.03 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 2ka3 s ALA 898 Cb -0.12 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 2ka3 s ALA 898 CO -0.07 0.53 0.09 0.08 0.00 0.00 0.00 175.76 176.39 2ka3 s VAL 899 N -1.69 4.52 -0.25 0.00 1.01 -1.16 -5.06 120.40 117.76 2ka3 s VAL 899 Ca 0.30 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 2ka3 s VAL 899 Cb -0.10 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2ka3 s VAL 899 CO 0.22 0.34 0.18 -0.76 0.00 0.00 0.00 175.10 175.08 2ka3 s LEU 900 N 1.48 4.08 -0.00 3.92 2.01 -1.26 -4.64 118.68 124.27 2ka3 s LEU 900 Ca 0.06 0.08 -0.26 0.00 0.01 0.00 0.00 54.13 54.02 2ka3 s LEU 900 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 2ka3 s LEU 900 CO 0.05 0.02 0.80 -0.89 1.01 0.00 0.00 176.35 177.34 2ka3 s THR 901 N 1.32 4.87 0.06 5.49 2.01 -1.26 -5.01 115.64 123.12 2ka3 s THR 901 Ca 0.08 1.68 -0.33 0.00 0.31 0.00 0.00 61.69 63.44 2ka3 s THR 901 Cb -0.14 -4.15 -0.19 0.00 0.01 0.00 0.00 72.50 68.03 2ka3 s THR 901 CO 0.07 0.27 1.53 1.23 -0.69 0.00 0.00 174.62 177.03 2ka3 h GLY 902 N 6.34 -1.02 -6.68 4.40 0.00 -2.00 -3.48 103.07 100.63 2ka3 h GLY 902 Ca -0.42 0.38 -0.47 0.00 0.00 0.00 0.00 47.33 46.82 2ka3 h GLY 902 CO 0.74 -0.37 -1.10 1.42 0.00 0.00 0.00 176.54 177.22 2ka3 n HIS 903 N -5.49 -2.05 0.53 5.60 8.25 -1.26 -4.67 115.22 116.12 2ka3 n HIS 903 Ca -0.14 0.85 0.08 0.00 -0.26 0.00 0.00 57.72 58.25 2ka3 n HIS 903 Cb 0.40 -2.52 0.35 0.00 1.12 0.00 0.00 29.99 29.35 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 -2.24 0.02 0.21 -0.41 1.85 -1.26 -3.59 116.66 111.24 2ka3 n ARG 904 Ca -0.29 0.25 0.14 0.00 -1.00 0.00 0.00 57.85 56.96 2ka3 n ARG 904 Cb 0.68 -1.54 0.50 0.00 -1.05 0.00 0.00 32.46 31.05 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 -1.90 -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 -2.76 0.00 0.00 5.26 0.28 -1.24 -5.12 120.64 117.06 2ka3 n GLU 906 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2ka3 n GLU 906 Cb 0.35 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.22 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 -1.10 0.00 -3.67 3.44 4.81 -1.26 -4.80 118.16 115.58 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 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 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 -0.23 5.30 -0.21 3.15 1.01 -1.26 -3.26 120.40 124.90 2ka3 s VAL 908 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2ka3 s VAL 908 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2ka3 s VAL 908 CO 0.00 0.34 0.01 -0.70 0.00 0.00 0.00 175.10 174.75 2ka3 s GLU 909 N 1.14 3.63 -0.14 2.72 2.56 -1.01 -4.40 118.70 123.20 2ka3 s GLU 909 Ca 0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 54.97 54.52 2ka3 s GLU 909 Cb -0.14 -3.13 0.04 0.00 2.00 0.00 0.00 34.13 32.90 2ka3 s GLU 909 CO 0.05 -0.03 0.00 0.00 -0.56 0.00 0.00 175.26 174.72 2ka3 s ALA 910 N 1.13 1.01 -0.38 6.30 0.00 -1.25 -2.97 121.76 125.59 2ka3 s ALA 910 Ca 0.03 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 2ka3 s ALA 910 Cb -0.14 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2ka3 s ALA 910 CO 0.02 -0.81 0.78 0.08 0.00 0.00 0.00 175.76 175.83 2ka3 s VAL 911 N 1.85 4.72 0.53 0.00 1.01 -1.24 -3.14 120.40 124.13 2ka3 s VAL 911 Ca 0.02 0.81 -0.22 0.00 0.00 0.00 0.00 61.98 62.59 2ka3 s VAL 911 Cb -0.15 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2ka3 s VAL 911 CO -0.07 -0.47 1.33 -0.76 0.00 0.00 0.00 175.10 175.13 2ka3 s LEU 912 N 3.12 3.88 0.07 3.92 1.43 -0.80 -3.49 118.68 126.80 2ka3 s LEU 912 Ca 0.31 2.70 0.07 0.00 -1.03 0.00 0.00 54.13 56.18 2ka3 s LEU 912 Cb -0.13 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2ka3 s LEU 912 CO 0.18 -1.47 -0.14 -0.94 0.23 0.00 0.00 176.35 174.21 2ka3 s SER 913 N -1.00 4.11 0.26 2.29 1.04 -0.92 -3.57 113.70 115.90 2ka3 s SER 913 Ca 0.70 -0.40 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 2ka3 s SER 913 Cb -0.39 -0.74 -0.09 0.00 0.10 0.00 0.00 66.02 64.91 2ka3 s SER 913 CO 0.46 0.22 0.95 0.00 0.98 0.00 0.00 173.24 175.85 2ka3 s ARG 914 N -1.79 4.80 0.00 4.02 3.03 -1.26 -2.72 118.95 125.03 2ka3 s ARG 914 Ca 0.18 1.47 0.00 0.00 2.03 0.00 0.00 55.73 59.41 2ka3 s ARG 914 Cb -0.11 -3.19 0.00 0.00 -1.03 0.00 0.00 34.95 30.62 2ka3 s ARG 914 CO 0.09 0.47 0.00 -1.13 -1.13 0.00 0.00 175.30 173.59 2ka3 n SER 915 N 1.31 -0.43 0.00 -2.89 3.41 -1.26 -4.77 113.62 108.99 2ka3 n SER 915 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2ka3 n SER 915 Cb 0.47 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2ka3 n SER 915 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ka3 n ASN 916 N 0.00 0.00 -1.41 4.04 3.02 -1.26 -5.17 115.26 114.49 2ka3 n ASN 916 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2ka3 n ASN 916 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.31 -3.01 0.00 3.52 6.02 -1.10 -4.95 117.38 117.55 2ka3 n GLN 917 Ca 0.00 2.30 0.00 0.00 -0.01 0.00 0.00 57.00 59.29 2ka3 n GLN 917 Cb 0.00 -3.62 0.00 0.00 1.02 0.00 0.00 30.24 27.64 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 -4.21 3.19 3.00 1.08 0.00 -1.26 -4.80 105.19 102.20 2ka3 n GLY 918 Ca -0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 -9.59 -3.14 1.61 0.31 -1.26 -2.17 118.33 104.09 2ka3 n VAL 919 Ca 0.00 0.65 -0.42 0.00 -0.01 0.00 0.00 64.34 64.57 2ka3 n VAL 919 Cb 0.00 -6.51 -0.07 0.00 -0.91 0.00 0.00 33.84 26.35 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 -2.43 3.44 -0.20 3.52 0.00 -1.24 -3.33 121.76 121.52 2ka3 s ALA 920 Ca 0.25 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2ka3 s ALA 920 Cb -0.06 -3.16 -0.16 0.00 0.00 0.00 0.00 23.12 19.74 2ka3 s ALA 920 CO 0.79 -1.39 -0.12 2.89 0.00 0.00 0.00 175.76 177.94 2ka3 n ARG 921 N 6.02 0.75 -3.30 0.00 1.85 -1.23 -4.06 116.66 116.70 2ka3 n ARG 921 Ca -0.02 0.08 -0.46 0.00 -1.00 0.00 0.00 57.85 56.45 2ka3 n ARG 921 Cb 0.48 -1.42 -0.01 0.00 -1.05 0.00 0.00 32.46 30.46 2ka3 n ARG 921 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2ka3 s VAL 922 N -2.42 5.66 -0.15 8.89 1.01 -1.26 -4.44 120.40 127.70 2ka3 s VAL 922 Ca -0.23 -2.68 -0.15 0.00 0.00 0.00 0.00 61.98 58.92 2ka3 s VAL 922 Cb 0.07 -4.53 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2ka3 s VAL 922 CO 0.54 -1.11 0.34 -0.62 0.00 0.00 0.00 175.10 174.26 2ka3 s ASP 923 N 2.02 6.51 -0.14 3.32 -1.08 -1.26 -3.70 116.67 122.34 2ka3 s ASP 923 Ca 0.22 0.59 -0.04 0.00 -0.52 0.00 0.00 52.55 52.81 2ka3 s ASP 923 Cb -0.10 -2.21 0.07 0.00 -1.46 0.00 0.00 42.92 39.22 2ka3 s ASP 923 CO -0.09 0.08 0.17 -0.55 0.52 0.00 0.00 175.17 175.31 2ka3 s SER 924 N 0.45 1.20 -1.00 -0.34 0.15 -1.16 -5.06 113.70 107.95 2ka3 s SER 924 Ca 0.19 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.73 2ka3 s SER 924 Cb -0.14 0.24 0.24 0.00 -1.71 0.00 0.00 66.02 64.65 2ka3 s SER 924 CO 0.06 -0.29 1.01 -0.83 1.20 0.00 0.00 173.24 174.39 2ka3 s GLY 925 N 2.28 2.85 0.00 9.45 0.00 -1.26 -2.39 107.32 118.25 2ka3 s GLY 925 Ca 0.04 -3.53 0.05 0.00 0.00 0.00 0.00 44.72 41.28 2ka3 s GLY 925 CO -0.08 1.42 0.93 0.61 0.00 0.00 0.00 173.10 175.97 2ka3 n GLY 926 N 3.52 -0.37 0.33 0.20 0.00 -1.20 -5.04 105.19 102.62 2ka3 n GLY 926 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.21 0.00 -5.00 2.61 -1.04 -1.26 -3.90 114.28 104.48 2ka3 n THR 946 Ca 0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 2ka3 n THR 946 Cb 0.03 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.39 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 2.46 0.12 -4.42 1.43 -1.26 -4.99 118.68 112.03 2ka3 s LEU 947 Ca 0.00 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2ka3 s LEU 947 Cb 0.00 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2ka3 s LEU 947 CO 0.00 0.23 -0.05 -0.83 0.23 0.00 0.00 176.35 175.93 2ka3 s GLY 948 N -0.05 0.92 -0.11 -3.19 0.00 -1.26 -5.00 107.32 98.62 2ka3 s GLY 948 Ca -0.05 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.27 2ka3 s GLY 948 CO 0.04 -1.48 -0.20 -1.34 0.00 0.00 0.00 173.10 170.12 2ka3 s VAL 949 N -3.62 1.81 0.03 1.40 -7.23 -1.26 -3.67 120.40 107.85 2ka3 s VAL 949 Ca 0.16 -0.85 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 2ka3 s VAL 949 Cb 0.05 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2ka3 s VAL 949 CO -0.02 0.50 -0.04 0.72 -0.31 0.00 0.00 175.10 175.95 2ka3 s PHE 950 N 0.74 0.37 -0.14 2.82 -0.12 -1.26 -5.05 117.98 115.34 2ka3 s PHE 950 Ca -0.10 -0.50 -0.11 0.00 -0.05 0.00 0.00 56.93 56.17 2ka3 s PHE 950 Cb -0.16 -0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 41.92 2ka3 s PHE 950 CO 0.01 -0.15 -0.24 0.43 -0.05 0.00 0.00 175.22 175.22 2ka3 n SER 951 N 1.63 1.46 -0.08 1.98 7.64 -1.26 -4.48 113.62 120.51 2ka3 n SER 951 Ca -0.23 0.24 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 2ka3 n SER 951 Cb 0.55 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.67 0.01 0.00 -3.43 5.85 -1.93 -3.47 115.31 111.67 2ka3 h LEU 952 Ca -0.27 -0.85 -0.27 0.00 0.84 0.00 0.00 57.88 57.33 2ka3 h LEU 952 Cb 1.09 -0.00 0.09 0.00 0.37 0.00 0.00 40.66 42.20 2ka3 h LEU 952 CO -0.16 1.16 0.19 2.30 -0.34 0.00 0.00 178.44 181.58 2ka3 n ILE 953 N -4.55 0.00 -3.20 4.05 -6.64 -1.26 -4.46 119.36 103.31 2ka3 n ILE 953 Ca -0.17 -0.73 0.01 0.00 -1.77 0.00 0.00 62.75 60.09 2ka3 n ILE 953 Cb 0.55 -1.48 -0.01 0.00 -1.44 0.00 0.00 39.64 37.26 2ka3 n ILE 953 CO 0.00 0.00 0.00 -1.48 -1.77 0.00 0.00 176.55 173.30 2ka3 s LEU 954 N 0.00 -1.49 -0.91 7.28 -0.00 -1.26 -4.98 118.68 117.32 2ka3 s LEU 954 Ca 0.44 -0.53 -0.24 0.00 -0.00 0.00 0.00 54.13 53.79 2ka3 s LEU 954 Cb -0.02 1.91 0.01 0.00 -0.00 0.00 0.00 46.19 48.10 2ka3 s LEU 954 CO 0.30 -0.21 1.60 -2.16 -0.00 0.00 0.00 176.35 175.88 2ka3 s PRO 955 N 2.12 3.16 -0.03 1.48 0.04 -1.26 -4.94 135.00 135.58 2ka3 s PRO 955 Ca 0.14 -0.61 0.07 0.00 0.04 0.00 0.00 61.00 60.64 2ka3 s PRO 955 Cb -0.06 -5.02 -0.02 0.00 0.04 0.00 0.00 34.50 29.44 2ka3 s PRO 955 CO -0.13 -2.57 -0.25 -0.51 0.04 0.00 0.00 177.00 173.59 2ka3 s LEU 956 N 6.85 2.05 0.33 -3.56 1.02 -1.26 -4.87 118.68 119.25 2ka3 s LEU 956 Ca 0.53 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 54.20 2ka3 s LEU 956 Cb -0.04 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.84 2ka3 s LEU 956 CO -0.01 0.29 0.56 -1.10 0.02 0.00 0.00 176.35 176.11 2ka3 s GLN 957 N -0.48 3.54 -0.05 1.70 -0.21 -1.26 -4.98 119.66 117.92 2ka3 s GLN 957 Ca 0.07 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 2ka3 s GLN 957 Cb -0.10 -2.64 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 2ka3 s GLN 957 CO 0.00 0.15 1.42 0.00 -2.12 0.00 0.00 175.29 174.74 2ka3 s ALA 958 N -2.26 3.60 0.00 6.09 0.00 -1.26 -2.95 121.76 124.98 2ka3 s ALA 958 Ca 0.42 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2ka3 s ALA 958 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2ka3 s ALA 958 CO 0.35 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2ka3 n GLY 959 N 3.73 1.57 3.72 0.00 0.00 -0.77 -5.02 105.19 108.42 2ka3 n GLY 959 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2ka3 n GLY 959 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ka3 s ASP 960 N -2.69 2.20 -0.07 1.61 -1.08 -1.15 -4.81 116.67 110.69 2ka3 s ASP 960 Ca 0.00 0.70 -0.03 0.00 -0.52 0.00 0.00 52.55 52.70 2ka3 s ASP 960 Cb 0.00 -1.04 0.04 0.00 -1.46 0.00 0.00 42.92 40.46 2ka3 s ASP 960 CO 0.00 -3.34 0.13 -0.89 0.52 0.00 0.00 175.17 171.60 2ka3 s THR 961 N -3.25 -0.14 0.14 1.71 2.01 -1.26 -4.05 115.64 110.80 2ka3 s THR 961 Ca 0.69 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 2ka3 s THR 961 Cb -0.11 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 2ka3 s THR 961 CO 0.55 0.11 0.38 0.68 -0.69 0.00 0.00 174.62 175.65 2ka3 s VAL 962 N 1.70 5.16 -0.02 3.82 -7.23 -1.24 -4.40 120.40 118.20 2ka3 s VAL 962 Ca -0.03 0.05 -0.02 0.00 -1.81 0.00 0.00 61.98 60.17 2ka3 s VAL 962 Cb -0.12 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.21 2ka3 s VAL 962 CO -0.05 0.04 0.05 0.00 -0.31 0.00 0.00 175.10 174.83 2ka3 s VAL 964 N 0.14 5.18 -0.15 0.00 1.01 -1.26 -1.91 120.40 123.42 2ka3 s VAL 964 Ca -0.01 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.86 2ka3 s VAL 964 Cb -0.02 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2ka3 s VAL 964 CO -0.00 0.31 -0.00 -0.62 0.00 0.00 0.00 175.10 174.78 2ka3 s ASP 965 N 0.69 5.13 -0.55 3.32 2.15 -1.19 -4.93 116.67 121.30 2ka3 s ASP 965 Ca 0.25 -0.00 0.05 0.00 0.43 0.00 0.00 52.55 53.28 2ka3 s ASP 965 Cb -0.15 -1.76 0.19 0.00 -0.30 0.00 0.00 42.92 40.90 2ka3 s ASP 965 CO 0.10 0.22 0.46 -0.11 -0.17 0.00 0.00 175.17 175.67 2ka3 n LEU 966 N 3.20 1.43 -3.15 -1.34 0.00 -1.26 -3.91 117.00 111.97 2ka3 n LEU 966 Ca -0.17 -4.85 0.04 0.00 0.00 0.00 0.00 56.01 51.02 2ka3 n LEU 966 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 43.42 43.85 2ka3 n LEU 966 CO 0.33 1.86 0.13 -0.69 0.00 0.00 0.00 177.39 179.01 2ka3 s VAL 967 N -0.94 -0.95 -0.45 1.96 1.01 -1.26 -5.05 120.40 114.72 2ka3 s VAL 967 Ca 0.31 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2ka3 s VAL 967 Cb 0.03 -0.95 0.27 0.00 0.00 0.00 0.00 36.38 35.73 2ka3 s VAL 967 CO -0.16 0.00 0.86 0.23 0.00 0.00 0.00 175.10 176.03 2ka3 n MET 968 N 5.40 0.84 0.00 2.72 2.81 -1.26 -5.05 117.12 122.58 2ka3 n MET 968 Ca 0.05 -2.22 0.00 0.00 -1.81 0.00 0.00 57.70 53.72 2ka3 n MET 968 Cb 0.54 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 1.16 3.79 0.03 3.03 0.00 -1.26 -4.22 105.19 107.72 2ka3 n GLY 969 Ca 0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.03 2.49 -2.97 1.61 7.27 -1.26 -4.80 117.38 118.69 2ka3 n GLN 970 Ca 0.00 0.01 -0.44 0.00 0.07 0.00 0.00 57.00 56.63 2ka3 n GLN 970 Cb 0.00 -1.15 -0.02 0.00 2.41 0.00 0.00 30.24 31.48 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 -4.63 5.21 0.00 1.69 2.96 -1.26 -4.90 118.68 117.75 2ka3 s LEU 971 Ca -0.04 -2.40 0.00 0.00 -0.22 0.00 0.00 54.13 51.46 2ka3 s LEU 971 Cb 0.02 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.33 2ka3 s LEU 971 CO 0.23 -0.92 0.00 0.00 -1.32 0.00 0.00 176.35 174.35 2ka3 n ALA 972 N 6.00 0.00 -2.43 5.97 0.00 -1.26 -5.14 120.51 123.65 2ka3 n ALA 972 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 2ka3 n ALA 972 Cb 0.47 0.00 -0.11 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 -1.58 2.02 -0.06 0.00 2.46 -1.26 -5.13 115.29 111.74 2ka3 s HIS 973 Ca 0.00 -0.43 -0.18 0.00 0.47 0.00 0.00 55.06 54.92 2ka3 s HIS 973 Cb 0.00 -0.95 -0.05 0.00 -0.13 0.00 0.00 32.58 31.45 2ka3 s HIS 973 CO 0.00 0.49 0.48 0.45 -2.47 0.00 0.00 174.74 173.69 2ka3 s SER 974 N -3.08 6.78 -0.01 9.88 0.15 -1.26 -5.06 113.70 121.11 2ka3 s SER 974 Ca 0.23 0.93 -0.28 0.00 0.70 0.00 0.00 55.95 57.53 2ka3 s SER 974 Cb -0.05 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.03 2ka3 s SER 974 CO 0.10 0.12 0.62 -0.70 1.20 0.00 0.00 173.24 174.57 2ka3 s GLU 975 N -0.04 1.05 -0.21 5.44 -6.30 -1.26 -5.15 118.70 112.23 2ka3 s GLU 975 Ca 0.26 0.09 -0.00 0.00 -2.50 0.00 0.00 54.97 52.82 2ka3 s GLU 975 Cb -0.16 0.49 0.06 0.00 0.00 0.00 0.00 34.13 34.51 2ka3 s GLU 975 CO 0.13 -0.35 -0.03 -1.83 0.02 0.00 0.00 175.26 173.20 2ka3 s GLU 976 N -1.61 1.35 0.51 4.30 4.04 -1.26 -5.14 118.70 120.88 2ka3 s GLU 976 Ca -0.09 -0.75 0.07 0.00 0.04 0.00 0.00 54.97 54.24 2ka3 s GLU 976 Cb -0.01 -2.35 0.05 0.00 0.02 0.00 0.00 34.13 31.84 2ka3 s GLU 976 CO 0.06 -0.57 0.70 -1.25 -1.84 0.00 0.00 175.26 172.35 2ka3 s PRO 977 N 1.56 2.55 -0.02 -4.83 0.04 -1.26 -5.12 135.00 127.91 2ka3 s PRO 977 Ca -0.03 -1.30 0.06 0.00 0.04 0.00 0.00 61.00 59.77 2ka3 s PRO 977 Cb -0.18 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2ka3 s PRO 977 CO -0.07 -0.59 -0.19 -0.51 0.04 0.00 0.00 177.00 175.67 2ka3 s LEU 978 N -4.56 2.47 -0.00 -3.56 1.02 -1.26 -4.97 118.68 107.83 2ka3 s LEU 978 Ca 0.58 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 54.40 2ka3 s LEU 978 Cb -0.08 -1.47 -0.00 0.00 0.02 0.00 0.00 46.19 44.66 2ka3 s LEU 978 CO 0.36 0.32 -0.02 0.42 0.02 0.00 0.00 176.35 177.46 2ka3 s THR 979 N -0.73 0.12 -0.11 5.49 -4.23 -1.26 -4.89 115.64 110.04 2ka3 s THR 979 Ca 0.12 -0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2ka3 s THR 979 Cb -0.10 -0.12 -0.00 0.00 1.34 0.00 0.00 72.50 73.62 2ka3 s THR 979 CO 0.01 0.04 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.29 2ka3 s ILE 980 N -0.01 2.37 -0.26 2.99 -1.09 -1.26 -4.31 121.20 119.62 2ka3 s ILE 980 Ca 0.00 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 2ka3 s ILE 980 Cb -0.01 -1.93 0.07 0.00 -1.58 0.00 0.00 42.46 39.01 2ka3 s ILE 980 CO -0.00 0.55 -0.00 0.12 -1.23 0.00 0.00 174.94 174.37 2ka3 s PHE 981 N 0.32 2.45 0.26 3.97 2.19 -1.21 -2.99 117.98 122.96 2ka3 s PHE 981 Ca -0.16 -1.93 0.05 0.00 0.33 0.00 0.00 56.93 55.22 2ka3 s PHE 981 Cb -0.17 -1.81 -0.03 0.00 -1.31 0.00 0.00 43.02 39.70 2ka3 s PHE 981 CO 0.08 -0.82 0.38 -1.54 1.83 0.00 0.00 175.22 175.15 2ka3 s SER 982 N 1.37 6.27 -0.30 6.13 1.04 -1.20 -2.05 113.70 124.96 2ka3 s SER 982 Ca 0.00 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 2ka3 s SER 982 Cb -0.19 -1.76 0.17 0.00 0.10 0.00 0.00 66.02 64.34 2ka3 s SER 982 CO -0.10 -0.13 1.20 -0.83 0.98 0.00 0.00 173.24 174.36 2ka3 s GLY 983 N -4.01 -0.16 0.09 7.32 0.00 -0.85 -3.59 107.32 106.13 2ka3 s GLY 983 Ca 0.36 3.05 0.10 0.00 0.00 0.00 0.00 44.72 48.23 2ka3 s GLY 983 CO 0.29 3.97 -0.24 0.00 0.00 0.00 0.00 173.10 177.12 2ka3 s ALA 984 N 2.99 2.42 -0.06 3.20 0.00 -0.98 -2.65 121.76 126.67 2ka3 s ALA 984 Ca -0.07 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 2ka3 s ALA 984 Cb -0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2ka3 s ALA 984 CO -0.08 0.55 1.35 -1.17 0.00 0.00 0.00 175.76 176.41 2ka3 s LEU 985 N -1.76 4.28 -0.20 0.00 2.96 -1.25 -2.64 118.68 120.07 2ka3 s LEU 985 Ca 0.14 1.96 -0.17 0.00 -0.22 0.00 0.00 54.13 55.84 2ka3 s LEU 985 Cb -0.10 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 2ka3 s LEU 985 CO 0.05 -0.72 -0.35 -0.11 -1.32 0.00 0.00 176.35 173.90 2ka3 n LEU 986 N 5.85 1.94 -3.90 -0.68 7.94 -1.22 -4.97 117.00 121.97 2ka3 n LEU 986 Ca 0.13 0.33 -0.22 0.00 -1.11 0.00 0.00 56.01 55.15 2ka3 n LEU 986 Cb 0.44 -0.76 -0.17 0.00 0.53 0.00 0.00 43.42 43.47 2ka3 n LEU 986 CO 0.58 -0.10 -0.42 -0.47 -1.11 0.00 0.00 177.39 175.87 2ka3 s TYR 987 N -2.83 0.91 -0.17 1.96 5.04 -0.92 -5.04 117.35 116.29 2ka3 s TYR 987 Ca -0.31 -0.30 -0.13 0.00 -2.44 0.00 0.00 57.07 53.89 2ka3 s TYR 987 Cb 0.06 -0.80 -0.05 0.00 0.35 0.00 0.00 41.96 41.53 2ka3 s TYR 987 CO 0.44 -0.25 0.27 0.20 -1.34 0.00 0.00 175.55 174.87 2ka3 s GLY 988 N 1.10 2.17 0.14 8.97 0.00 -1.26 -1.48 107.32 116.96 2ka3 s GLY 988 Ca -0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 44.72 43.83 2ka3 s GLY 988 CO -0.01 0.40 1.37 0.99 0.00 0.00 0.00 173.10 175.86 2ka3 s ASP 989 N 0.50 6.83 -0.94 1.64 1.01 -1.18 -4.95 116.67 119.57 2ka3 s ASP 989 Ca 0.15 2.36 -0.06 0.00 0.71 0.00 0.00 52.55 55.71 2ka3 s ASP 989 Cb -0.13 -2.59 0.24 0.00 1.01 0.00 0.00 42.92 41.45 2ka3 s ASP 989 CO 0.03 -0.62 0.87 -2.16 0.21 0.00 0.00 175.17 173.50 2ka3 s PRO 990 N 0.72 3.59 0.00 8.23 0.04 -1.26 -4.84 135.00 141.49 2ka3 s PRO 990 Ca 0.62 -3.11 0.00 0.00 0.04 0.00 0.00 61.00 58.56 2ka3 s PRO 990 Cb -0.37 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2ka3 s PRO 990 CO 0.33 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.51 2ka3 n GLU 991 N 2.74 0.00 -3.67 4.56 1.02 -1.26 -4.80 120.64 119.23 2ka3 n GLU 991 Ca 0.20 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.07 2ka3 n GLU 991 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 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 -1.96 -4.51 -4.62 4.77 -1.26 -5.00 117.00 104.42 2ka3 n LEU 992 Ca 0.00 -0.61 -0.34 0.00 -0.03 0.00 0.00 56.01 55.03 2ka3 n LEU 992 Cb 0.00 -2.31 -0.12 0.00 -2.33 0.00 0.00 43.42 38.66 2ka3 n LEU 992 CO 0.00 0.28 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.35 2ka3 s GLU 993 N -6.35 3.24 -0.22 3.23 2.02 -1.26 -5.08 118.70 114.28 2ka3 s GLU 993 Ca 0.54 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2ka3 s GLU 993 Cb -0.28 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.29 2ka3 s GLU 993 CO 0.67 0.41 0.04 -1.01 0.02 0.00 0.00 175.26 175.38 2ka3 s HIS 994 N -0.13 1.33 0.00 1.61 3.76 -1.26 -5.25 115.29 115.35 2ka3 s HIS 994 Ca 0.01 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 2ka3 s HIS 994 Cb -0.13 -1.23 0.00 0.00 1.11 0.00 0.00 32.58 32.33 2ka3 s HIS 994 CO 0.03 -0.69 0.00 0.00 -0.85 0.00 0.00 174.74 173.23