#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 1.20 -0.19 0.52 1.01 -1.26 -5.03 120.40 116.65 2ka3 s VAL 847 Ca 0.00 -0.44 0.20 0.00 0.00 0.00 0.00 61.98 61.75 2ka3 s VAL 847 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2ka3 s VAL 847 CO 0.00 0.36 0.97 -0.81 0.00 0.00 0.00 175.10 175.62 2ka3 n PRO 848 N 4.88 0.61 -3.72 2.72 -0.04 -1.26 -5.01 135.00 133.19 2ka3 n PRO 848 Ca -0.14 0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 2ka3 n PRO 848 Cb 0.50 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.75 -1.31 -5.20 0.54 7.27 -1.26 -5.00 117.38 109.67 2ka3 n GLN 849 Ca -0.03 0.61 -0.32 0.00 0.07 0.00 0.00 57.00 57.33 2ka3 n GLN 849 Cb 0.65 -2.01 -0.16 0.00 2.41 0.00 0.00 30.24 31.13 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 -2.96 2.26 0.10 1.69 1.01 -1.26 -5.04 120.40 116.20 2ka3 s VAL 850 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2ka3 s VAL 850 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2ka3 s VAL 850 CO 0.82 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.42 2ka3 s ALA 851 N -0.35 1.05 -0.13 5.51 0.00 -1.26 -3.84 121.76 122.74 2ka3 s ALA 851 Ca 0.02 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 2ka3 s ALA 851 Cb -0.12 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.16 2ka3 s ALA 851 CO 0.02 -0.19 0.33 -0.59 0.00 0.00 0.00 175.76 175.33 2ka3 s PHE 852 N -3.41 -0.38 -0.30 0.00 -0.71 -1.12 -3.55 117.98 108.52 2ka3 s PHE 852 Ca 0.11 0.91 -0.14 0.00 -1.04 0.00 0.00 56.93 56.78 2ka3 s PHE 852 Cb 0.04 0.13 0.17 0.00 -1.21 0.00 0.00 43.02 42.15 2ka3 s PHE 852 CO -0.03 -0.20 0.99 0.45 -1.34 0.00 0.00 175.22 175.09 2ka3 s SER 853 N 0.39 -0.59 0.18 1.98 0.15 0.13 -2.00 113.70 113.94 2ka3 s SER 853 Ca -0.02 0.69 0.11 0.00 0.70 0.00 0.00 55.95 57.43 2ka3 s SER 853 Cb -0.04 1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 65.85 2ka3 s SER 853 CO -0.02 -0.11 -0.20 0.00 1.20 0.00 0.00 173.24 174.11 2ka3 s ALA 854 N 2.55 2.65 0.11 5.45 0.00 -0.88 -2.04 121.76 129.60 2ka3 s ALA 854 Ca -0.01 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.40 2ka3 s ALA 854 Cb -0.07 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2ka3 s ALA 854 CO -0.16 0.45 -0.08 0.00 0.00 0.00 0.00 175.76 175.97 2ka3 s ALA 855 N -1.63 1.08 -0.05 0.00 0.00 -0.04 -3.46 121.76 117.66 2ka3 s ALA 855 Ca 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2ka3 s ALA 855 Cb -0.08 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2ka3 s ALA 855 CO 0.11 -0.15 -0.03 -1.17 0.00 0.00 0.00 175.76 174.52 2ka3 s LEU 856 N -2.87 1.15 0.00 0.00 1.98 -1.26 -2.39 118.68 115.29 2ka3 s LEU 856 Ca 0.10 -0.10 0.00 0.00 -2.89 0.00 0.00 54.13 51.24 2ka3 s LEU 856 Cb 0.02 -0.40 0.00 0.00 0.66 0.00 0.00 46.19 46.47 2ka3 s LEU 856 CO -0.02 -0.09 0.00 -1.20 -1.89 0.00 0.00 176.35 173.15 2ka3 n SER 857 N 4.28 0.00 -1.78 3.68 7.64 -1.26 -4.86 113.62 121.32 2ka3 n SER 857 Ca -0.22 -0.84 -0.16 0.00 1.01 0.00 0.00 58.87 58.66 2ka3 n SER 857 Cb 0.51 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2ka3 n SER 857 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ka3 n LEU 858 N 0.00 -1.78 0.07 -3.43 -0.00 -1.26 -4.94 117.00 105.65 2ka3 n LEU 858 Ca 0.00 0.23 -0.21 0.00 -0.00 0.00 0.00 56.01 56.03 2ka3 n LEU 858 Cb 0.41 -0.35 -0.14 0.00 -0.00 0.00 0.00 43.42 43.34 2ka3 n LEU 858 CO 0.00 -2.16 0.01 1.55 -0.00 0.00 0.00 177.39 176.79 2ka3 h PRO 859 N -0.10 0.47 0.00 1.47 0.13 -2.07 -3.49 132.00 128.42 2ka3 h PRO 859 Ca -0.18 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2ka3 h PRO 859 Cb 0.60 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ka3 h PRO 859 CO 0.16 1.29 0.00 2.89 -0.23 0.00 0.00 178.00 182.11 2ka3 n ARG 860 N -3.97 0.00 -0.81 0.86 1.85 -1.26 -5.16 116.66 108.17 2ka3 n ARG 860 Ca -0.14 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.43 2ka3 n ARG 860 Cb 0.89 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.28 2ka3 n ARG 860 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2ka3 n SER 861 N 0.00 -0.65 -4.28 2.89 7.64 -1.26 -5.03 113.62 112.93 2ka3 n SER 861 Ca 0.00 0.65 -0.15 0.00 1.01 0.00 0.00 58.87 60.38 2ka3 n SER 861 Cb 0.00 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 2ka3 n SER 861 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ka3 s GLU 862 N -0.52 1.21 0.18 1.43 2.02 -1.26 -5.06 118.70 116.71 2ka3 s GLU 862 Ca 0.38 -1.59 0.26 0.00 0.02 0.00 0.00 54.97 54.05 2ka3 s GLU 862 Cb -0.56 -0.46 0.87 0.00 0.10 0.00 0.00 34.13 34.09 2ka3 s GLU 862 CO 0.32 -0.10 1.80 -0.35 0.02 0.00 0.00 175.26 176.95 2ka3 n PRO 863 N -0.32 0.23 0.00 0.39 -0.04 -1.26 -4.96 135.00 129.04 2ka3 n PRO 863 Ca -0.06 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2ka3 n PRO 863 Cb 0.63 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.32 2.26 3.76 0.55 0.00 -1.26 -5.16 105.19 106.67 2ka3 n GLY 864 Ca 0.06 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 0.59 2.33 -0.12 2.61 2.01 -1.26 -4.98 115.64 116.83 2ka3 s THR 865 Ca 0.00 0.26 -0.22 0.00 0.31 0.00 0.00 61.69 62.04 2ka3 s THR 865 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2ka3 s THR 865 CO 0.00 0.01 0.63 -0.69 -0.69 0.00 0.00 174.62 173.88 2ka3 s VAL 866 N -1.33 5.07 0.00 3.82 1.01 -1.26 -5.08 120.40 122.63 2ka3 s VAL 866 Ca 0.67 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2ka3 s VAL 866 Cb -0.38 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2ka3 s VAL 866 CO 0.47 0.23 0.00 -0.81 0.00 0.00 0.00 175.10 174.98 2ka3 n PRO 867 N 4.13 3.77 -3.73 2.72 -0.04 -1.26 -4.61 135.00 135.98 2ka3 n PRO 867 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 2ka3 n PRO 867 Cb 0.51 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.85 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 2.54 -0.42 -0.09 0.54 -0.71 -1.26 -4.92 117.98 113.66 2ka3 s PHE 868 Ca 0.00 0.96 0.03 0.00 -1.04 0.00 0.00 56.93 56.89 2ka3 s PHE 868 Cb 0.00 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2ka3 s PHE 868 CO 0.00 -0.24 0.11 -0.40 -1.34 0.00 0.00 175.22 173.36 2ka3 n ASP 869 N 3.69 1.96 -4.32 1.98 5.75 -1.23 -4.89 116.55 119.48 2ka3 n ASP 869 Ca -0.20 -0.32 -0.46 0.00 -0.01 0.00 0.00 54.79 53.80 2ka3 n ASP 869 Cb 0.56 1.07 -0.02 0.00 -1.03 0.00 0.00 41.12 41.70 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 -1.73 3.70 -0.69 0.11 1.81 -1.01 -5.00 118.95 116.15 2ka3 s ARG 870 Ca 0.00 -2.64 -0.26 0.00 -1.72 0.00 0.00 55.73 51.11 2ka3 s ARG 870 Cb 0.02 -4.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.07 2ka3 s ARG 870 CO 0.14 -1.28 1.83 0.08 -0.68 0.00 0.00 175.30 175.40 2ka3 s VAL 871 N -0.18 3.41 -0.06 3.52 1.01 -1.26 -0.86 120.40 125.97 2ka3 s VAL 871 Ca 0.21 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 2ka3 s VAL 871 Cb -0.10 -4.04 -0.27 0.00 0.00 0.00 0.00 36.38 31.96 2ka3 s VAL 871 CO -0.09 -1.00 0.59 -0.07 0.00 0.00 0.00 175.10 174.53 2ka3 h LEU 872 N 16.42 0.41 -6.92 3.92 3.38 -1.77 -3.46 115.31 127.28 2ka3 h LEU 872 Ca -0.18 -0.75 0.10 0.00 0.09 0.00 0.00 57.88 57.14 2ka3 h LEU 872 Cb 1.12 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 2ka3 h LEU 872 CO 1.23 1.65 0.22 -0.22 0.09 0.00 0.00 178.44 181.41 2ka3 s LEU 873 N -6.98 -0.68 0.00 1.67 2.96 -1.22 -5.01 118.68 109.41 2ka3 s LEU 873 Ca -0.16 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 2ka3 s LEU 873 Cb 0.06 1.94 0.00 0.00 0.50 0.00 0.00 46.19 48.69 2ka3 s LEU 873 CO 0.82 -0.16 0.00 -3.20 -1.32 0.00 0.00 176.35 172.49 2ka3 n ASN 874 N 4.21 0.00 -0.22 3.68 2.85 -1.23 -0.69 115.26 123.86 2ka3 n ASN 874 Ca -0.17 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.25 2ka3 n ASN 874 Cb 0.56 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.63 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 0.00 0.68 0.46 1.20 2.03 -1.97 -3.18 116.42 115.64 2ka3 h ASP 875 Ca 0.00 -0.01 -0.25 0.00 -0.73 0.00 0.00 57.03 56.04 2ka3 h ASP 875 Cb 0.00 -0.16 -0.04 0.00 -0.83 0.00 0.00 39.33 38.30 2ka3 h ASP 875 CO 0.00 0.49 -1.74 0.61 -1.03 0.00 0.00 179.24 177.57 2ka3 n GLY 876 N -1.27 -1.07 0.00 7.15 0.00 -1.26 -5.00 105.19 103.74 2ka3 n GLY 876 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.52 2.85 5.16 -0.02 0.00 -1.20 -5.00 105.19 108.50 2ka3 n GLY 877 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.42 1.61 4.01 -1.26 -4.65 117.16 113.45 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 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 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 -0.30 -0.72 1.13 -1.26 -3.98 117.35 115.46 2ka3 s TYR 879 Ca 0.00 0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 55.72 2ka3 s TYR 879 Cb 0.00 -2.54 0.02 0.00 -1.10 0.00 0.00 41.96 38.33 2ka3 s TYR 879 CO 0.00 -0.23 1.07 -0.51 -2.51 0.00 0.00 175.55 173.37 2ka3 s ASP 880 N 1.66 6.97 0.00 -0.18 1.01 -1.11 -4.93 116.67 120.09 2ka3 s ASP 880 Ca 0.14 1.12 0.20 0.00 0.71 0.00 0.00 52.55 54.72 2ka3 s ASP 880 Cb -0.16 -2.54 0.56 0.00 1.01 0.00 0.00 42.92 41.78 2ka3 s ASP 880 CO 0.10 -0.83 1.45 -0.81 0.21 0.00 0.00 175.17 175.29 2ka3 n PRO 881 N 6.75 2.09 0.00 8.23 -0.04 -1.26 -0.37 135.00 150.40 2ka3 n PRO 881 Ca 0.12 -1.66 -0.18 0.00 -0.04 0.00 0.00 63.50 61.74 2ka3 n PRO 881 Cb 0.47 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 3.11 0.18 0.00 0.54 5.08 -1.92 -3.34 114.58 118.23 2ka3 h GLU 882 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2ka3 h GLU 882 Cb 0.69 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2ka3 h GLU 882 CO 0.00 1.15 -0.67 0.25 -1.00 0.00 0.00 179.01 178.74 2ka3 n THR 883 N -4.31 0.00 -1.40 1.13 -2.24 -1.25 -4.93 114.28 101.27 2ka3 n THR 883 Ca -0.13 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2ka3 n THR 883 Cb 0.69 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 1.33 0.64 3.36 3.38 0.00 0.50 -4.62 105.19 109.77 2ka3 n GLY 884 Ca 0.02 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.83 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 5.21 -0.37 1.61 1.01 -0.74 -4.25 120.40 120.86 2ka3 s VAL 885 Ca 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 2ka3 s VAL 885 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2ka3 s VAL 885 CO 0.00 -0.69 0.26 0.12 0.00 0.00 0.00 175.10 174.80 2ka3 s PHE 886 N 1.62 3.23 -0.43 5.22 2.19 -1.23 -2.75 117.98 125.84 2ka3 s PHE 886 Ca 0.04 -0.42 -0.15 0.00 0.33 0.00 0.00 56.93 56.73 2ka3 s PHE 886 Cb -0.26 -2.52 0.04 0.00 -1.31 0.00 0.00 43.02 38.96 2ka3 s PHE 886 CO 0.05 -0.48 0.32 0.99 1.83 0.00 0.00 175.22 177.94 2ka3 s THR 887 N 1.69 5.16 -0.43 0.12 2.01 -1.26 -3.72 115.64 119.22 2ka3 s THR 887 Ca 0.05 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 2ka3 s THR 887 Cb -0.18 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2ka3 s THR 887 CO 0.10 -0.39 0.68 0.00 -0.69 0.00 0.00 174.62 174.32 2ka3 s ALA 888 N 1.65 3.35 -2.60 7.40 0.00 -1.25 -4.68 121.76 125.62 2ka3 s ALA 888 Ca 0.04 -1.11 0.25 0.00 0.00 0.00 0.00 51.96 51.15 2ka3 s ALA 888 Cb -0.21 -3.33 0.44 0.00 0.00 0.00 0.00 23.12 20.03 2ka3 s ALA 888 CO 0.09 -1.76 1.39 -0.35 0.00 0.00 0.00 175.76 175.13 2ka3 n PRO 889 N 6.35 1.84 -0.08 0.00 -0.04 -1.26 -1.95 135.00 139.86 2ka3 n PRO 889 Ca -0.01 -1.40 -0.07 0.00 -0.04 0.00 0.00 63.50 61.99 2ka3 n PRO 889 Cb 0.48 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 3.41 -0.31 -1.52 1.53 3.38 -1.96 -3.48 115.31 116.36 2ka3 h LEU 890 Ca 0.00 0.09 -0.37 0.00 0.09 0.00 0.00 57.88 57.69 2ka3 h LEU 890 Cb 0.78 0.20 0.13 0.00 0.09 0.00 0.00 40.66 41.86 2ka3 h LEU 890 CO 0.00 -0.11 -0.77 0.00 0.09 0.00 0.00 178.44 177.65 2ka3 n ALA 891 N -2.57 -1.87 -3.00 1.53 0.00 -1.26 -4.82 120.51 108.52 2ka3 n ALA 891 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ka3 n ALA 891 Cb 0.18 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 -1.40 2.42 3.62 0.00 0.00 -1.26 -3.93 105.19 104.64 2ka3 n GLY 892 Ca -0.23 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.62 4.07 0.29 1.61 3.52 -0.60 -4.96 118.95 122.25 2ka3 s ARG 893 Ca 0.00 0.21 0.10 0.00 -0.13 0.00 0.00 55.73 55.91 2ka3 s ARG 893 Cb 0.00 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 2ka3 s ARG 893 CO 0.00 -0.27 -0.04 1.52 -0.81 0.00 0.00 175.30 175.70 2ka3 s TYR 894 N 2.06 2.56 -0.29 5.12 -0.85 -1.26 -1.82 117.35 122.87 2ka3 s TYR 894 Ca 0.19 -0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.34 2ka3 s TYR 894 Cb -0.16 -1.23 -0.02 0.00 0.38 0.00 0.00 41.96 40.94 2ka3 s TYR 894 CO 0.09 0.60 0.13 -1.17 -1.52 0.00 0.00 175.55 173.68 2ka3 s LEU 895 N -3.65 3.92 -0.08 -3.49 2.96 -0.63 -4.76 118.68 112.95 2ka3 s LEU 895 Ca 0.32 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2ka3 s LEU 895 Cb -0.04 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2ka3 s LEU 895 CO 0.19 -0.14 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.77 2ka3 s LEU 896 N 1.62 3.06 -0.12 -0.68 0.20 -1.26 -1.94 118.68 119.56 2ka3 s LEU 896 Ca 0.05 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 54.73 2ka3 s LEU 896 Cb -0.16 -1.67 0.06 0.00 -0.43 0.00 0.00 46.19 43.99 2ka3 s LEU 896 CO 0.06 0.31 0.23 -0.44 -0.29 0.00 0.00 176.35 176.21 2ka3 s SER 897 N -0.49 0.57 0.14 3.68 0.01 -1.23 -4.84 113.70 111.54 2ka3 s SER 897 Ca 0.07 0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.82 2ka3 s SER 897 Cb -0.12 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 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 2.37 3.49 -0.23 1.44 0.00 -1.26 -3.06 121.76 124.52 2ka3 s ALA 898 Ca 0.02 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2ka3 s ALA 898 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 2ka3 s ALA 898 CO -0.08 0.57 0.00 0.08 0.00 0.00 0.00 175.76 176.34 2ka3 s VAL 899 N -1.63 3.79 -0.24 0.00 1.01 -1.15 -5.06 120.40 117.12 2ka3 s VAL 899 Ca 0.30 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2ka3 s VAL 899 Cb -0.11 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2ka3 s VAL 899 CO 0.22 0.39 0.12 -0.76 0.00 0.00 0.00 175.10 175.07 2ka3 s LEU 900 N 1.49 3.83 0.04 3.92 2.01 -1.26 -4.59 118.68 124.12 2ka3 s LEU 900 Ca 0.06 -0.01 -0.30 0.00 0.01 0.00 0.00 54.13 53.89 2ka3 s LEU 900 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 2ka3 s LEU 900 CO -0.00 0.04 1.01 -0.89 1.01 0.00 0.00 176.35 177.52 2ka3 s THR 901 N 1.18 4.63 0.05 5.49 2.01 -1.26 -4.99 115.64 122.75 2ka3 s THR 901 Ca 0.06 1.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.74 2ka3 s THR 901 Cb -0.14 -4.26 -0.18 0.00 0.01 0.00 0.00 72.50 67.93 2ka3 s THR 901 CO 0.05 0.20 1.50 1.23 -0.69 0.00 0.00 174.62 176.90 2ka3 h GLY 902 N 6.41 -0.73 -6.19 4.40 0.00 -2.00 -3.48 103.07 101.48 2ka3 h GLY 902 Ca -0.42 0.27 -0.35 0.00 0.00 0.00 0.00 47.33 46.83 2ka3 h GLY 902 CO 0.75 -0.27 -0.77 1.57 0.00 0.00 0.00 176.54 177.82 2ka3 n HIS 903 N -5.35 -2.17 0.60 5.60 -0.00 -1.26 -4.66 115.22 107.97 2ka3 n HIS 903 Ca -0.12 0.70 0.08 0.00 -0.00 0.00 0.00 57.72 58.37 2ka3 n HIS 903 Cb 0.31 -3.39 0.35 0.00 -0.00 0.00 0.00 29.99 27.26 2ka3 n HIS 903 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2ka3 n ARG 904 N -3.25 0.05 0.18 1.57 1.85 -1.26 -3.47 116.66 112.33 2ka3 n ARG 904 Ca -0.13 0.21 0.14 0.00 -1.00 0.00 0.00 57.85 57.06 2ka3 n ARG 904 Cb 0.60 -1.50 0.50 0.00 -1.05 0.00 0.00 32.46 31.01 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 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 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 -2.58 0.00 0.00 5.26 0.28 -1.21 -5.13 120.64 117.25 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 0.32 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.19 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 -0.75 0.00 -3.68 3.44 4.81 -1.26 -4.81 118.16 115.91 2ka3 n LYS 907 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 2ka3 n LYS 907 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 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 -0.21 5.38 -0.22 3.15 1.01 -1.26 -3.41 120.40 124.84 2ka3 s VAL 908 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2ka3 s VAL 908 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2ka3 s VAL 908 CO 0.00 0.41 -0.03 -0.70 0.00 0.00 0.00 175.10 174.78 2ka3 s GLU 909 N 0.57 3.45 -0.14 2.72 2.56 -0.73 -4.41 118.70 122.72 2ka3 s GLU 909 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 54.97 54.46 2ka3 s GLU 909 Cb -0.12 -3.04 0.04 0.00 2.00 0.00 0.00 34.13 33.01 2ka3 s GLU 909 CO 0.01 -0.15 -0.00 0.00 -0.56 0.00 0.00 175.26 174.55 2ka3 s ALA 910 N 1.37 1.02 -0.37 6.30 0.00 -1.26 -2.73 121.76 126.09 2ka3 s ALA 910 Ca 0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 2ka3 s ALA 910 Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2ka3 s ALA 910 CO -0.01 -0.76 0.74 0.08 0.00 0.00 0.00 175.76 175.80 2ka3 s VAL 911 N 1.84 4.78 0.40 0.00 1.01 -1.25 -3.16 120.40 124.02 2ka3 s VAL 911 Ca 0.02 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 2ka3 s VAL 911 Cb -0.14 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 2ka3 s VAL 911 CO -0.07 -0.42 1.41 -0.76 0.00 0.00 0.00 175.10 175.26 2ka3 s LEU 912 N 2.99 4.25 0.06 3.92 1.43 -0.69 -3.58 118.68 127.06 2ka3 s LEU 912 Ca 0.29 2.89 0.08 0.00 -1.03 0.00 0.00 54.13 56.36 2ka3 s LEU 912 Cb -0.13 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2ka3 s LEU 912 CO 0.17 -0.93 -0.18 -0.55 0.23 0.00 0.00 176.35 175.09 2ka3 s SER 913 N -0.42 3.81 0.28 2.29 0.15 -0.90 -3.37 113.70 115.53 2ka3 s SER 913 Ca 0.56 -0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.46 2ka3 s SER 913 Cb -0.43 -0.59 -0.09 0.00 -1.71 0.00 0.00 66.02 63.20 2ka3 s SER 913 CO 0.57 0.24 0.99 0.00 1.20 0.00 0.00 173.24 176.23 2ka3 s ARG 914 N -1.61 4.71 0.00 5.44 3.03 -1.26 -2.89 118.95 126.37 2ka3 s ARG 914 Ca 0.15 1.54 0.00 0.00 2.03 0.00 0.00 55.73 59.45 2ka3 s ARG 914 Cb -0.10 -3.12 0.00 0.00 -1.03 0.00 0.00 34.95 30.70 2ka3 s ARG 914 CO 0.06 0.35 0.00 -1.13 -1.13 0.00 0.00 175.30 173.46 2ka3 n SER 915 N 1.14 -1.97 0.00 -2.89 3.41 -1.26 -4.76 113.62 107.29 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 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.05 0.00 -1.43 4.04 3.02 -1.26 -5.17 115.26 114.51 2ka3 n ASN 916 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 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 -0.25 -3.12 0.00 3.52 6.02 -1.14 -4.94 117.38 117.47 2ka3 n GLN 917 Ca 0.00 2.42 0.00 0.00 -0.01 0.00 0.00 57.00 59.41 2ka3 n GLN 917 Cb 0.00 -3.72 0.00 0.00 1.02 0.00 0.00 30.24 27.54 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 -4.27 3.40 2.99 1.08 0.00 -1.26 -4.82 105.19 102.30 2ka3 n GLY 918 Ca -0.06 -0.19 -0.09 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 0.00-10.08 -3.15 1.61 0.31 -1.26 -2.12 118.33 103.64 2ka3 n VAL 919 Ca 0.00 0.52 -0.42 0.00 -0.01 0.00 0.00 64.34 64.43 2ka3 n VAL 919 Cb 0.00 -6.79 -0.07 0.00 -0.91 0.00 0.00 33.84 26.07 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 -2.63 3.45 -0.20 3.52 0.00 -1.24 -3.28 121.76 121.38 2ka3 s ALA 920 Ca 0.19 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.26 2ka3 s ALA 920 Cb -0.05 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 2ka3 s ALA 920 CO 0.78 -1.36 -0.11 2.89 0.00 0.00 0.00 175.76 177.95 2ka3 n ARG 921 N 5.98 0.76 -3.34 0.00 1.85 -1.23 -4.16 116.66 116.51 2ka3 n ARG 921 Ca -0.02 0.08 -0.45 0.00 -1.00 0.00 0.00 57.85 56.46 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 0.08 -0.01 0.00 0.00 177.63 177.70 2ka3 s VAL 922 N -2.43 6.00 -0.19 8.89 1.01 -1.26 -4.31 120.40 128.11 2ka3 s VAL 922 Ca -0.23 -3.41 -0.13 0.00 0.00 0.00 0.00 61.98 58.21 2ka3 s VAL 922 Cb 0.07 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 2ka3 s VAL 922 CO 0.57 -1.18 0.26 -0.62 0.00 0.00 0.00 175.10 174.12 2ka3 s ASP 923 N 1.33 6.34 -0.13 3.32 2.15 -1.26 -3.75 116.67 124.68 2ka3 s ASP 923 Ca 0.30 0.40 -0.04 0.00 0.43 0.00 0.00 52.55 53.64 2ka3 s ASP 923 Cb -0.10 -2.16 0.06 0.00 -0.30 0.00 0.00 42.92 40.42 2ka3 s ASP 923 CO -0.08 0.08 0.17 -0.55 -0.17 0.00 0.00 175.17 174.63 2ka3 s SER 924 N 0.63 1.04 -1.00 -0.34 0.15 -1.10 -5.06 113.70 108.02 2ka3 s SER 924 Ca 0.14 0.12 -0.13 0.00 0.70 0.00 0.00 55.95 56.78 2ka3 s SER 924 Cb -0.13 0.28 0.23 0.00 -1.71 0.00 0.00 66.02 64.69 2ka3 s SER 924 CO 0.03 -0.28 1.03 -0.83 1.20 0.00 0.00 173.24 174.40 2ka3 s GLY 925 N 2.29 2.78 0.00 9.45 0.00 -1.26 -1.78 107.32 118.80 2ka3 s GLY 925 Ca 0.04 -3.48 0.11 0.00 0.00 0.00 0.00 44.72 41.39 2ka3 s GLY 925 CO -0.08 1.47 1.19 0.61 0.00 0.00 0.00 173.10 176.29 2ka3 n GLY 926 N 3.64 -0.65 0.00 0.20 0.00 -1.22 -5.03 105.19 102.13 2ka3 n GLY 926 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.77 0.00 -5.01 2.61 -1.04 -1.26 -3.36 114.28 105.45 2ka3 n THR 946 Ca 0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.81 2ka3 n THR 946 Cb 0.04 0.00 -0.16 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 1.97 0.08 -4.42 1.43 -1.26 -4.95 118.68 111.52 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 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2ka3 s LEU 947 CO 0.00 0.17 0.00 -0.83 0.23 0.00 0.00 176.35 175.93 2ka3 s GLY 948 N 0.06 0.65 -0.10 -3.19 0.00 -1.26 -5.01 107.32 98.48 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 0.04 -1.33 -0.17 -1.34 0.00 0.00 0.00 173.10 170.30 2ka3 s VAL 949 N -3.97 1.58 0.02 1.40 -7.23 -1.26 -3.64 120.40 107.30 2ka3 s VAL 949 Ca 0.13 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 2ka3 s VAL 949 Cb 0.08 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 2ka3 s VAL 949 CO -0.06 0.46 -0.04 0.72 -0.31 0.00 0.00 175.10 175.87 2ka3 s PHE 950 N 0.72 0.37 -0.07 2.82 -0.12 -1.26 -5.03 117.98 115.41 2ka3 s PHE 950 Ca -0.12 -0.35 -0.02 0.00 -0.05 0.00 0.00 56.93 56.39 2ka3 s PHE 950 Cb -0.16 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 2ka3 s PHE 950 CO 0.03 -0.09 -0.09 0.43 -0.05 0.00 0.00 175.22 175.45 2ka3 n SER 951 N 2.05 1.62 -0.08 1.98 7.64 -1.26 -4.44 113.62 121.13 2ka3 n SER 951 Ca -0.20 0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.57 2ka3 n SER 951 Cb 0.56 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.17 0.01 0.00 -3.43 5.85 -1.93 -3.46 115.31 112.17 2ka3 h LEU 952 Ca -0.18 -0.89 -0.20 0.00 0.84 0.00 0.00 57.88 57.45 2ka3 h LEU 952 Cb 1.20 -0.00 0.06 0.00 0.37 0.00 0.00 40.66 42.29 2ka3 h LEU 952 CO -0.08 1.12 0.14 2.30 -0.34 0.00 0.00 178.44 181.57 2ka3 n ILE 953 N -4.56 0.00 -2.87 4.05 -5.35 -1.26 -4.22 119.36 105.15 2ka3 n ILE 953 Ca -0.15 -0.54 -0.05 0.00 -0.27 0.00 0.00 62.75 61.74 2ka3 n ILE 953 Cb 0.53 -1.55 -0.00 0.00 -1.74 0.00 0.00 39.64 36.89 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 -1.29 -0.92 7.28 -0.00 -1.26 -4.93 118.68 117.56 2ka3 s LEU 954 Ca 0.32 -1.66 -0.24 0.00 -0.00 0.00 0.00 54.13 52.55 2ka3 s LEU 954 Cb -0.01 1.76 -0.01 0.00 -0.00 0.00 0.00 46.19 47.93 2ka3 s LEU 954 CO 0.22 -0.08 1.72 -2.16 -0.00 0.00 0.00 176.35 176.06 2ka3 s PRO 955 N 0.99 2.98 0.05 1.48 0.04 -1.26 -4.93 135.00 134.34 2ka3 s PRO 955 Ca 0.28 -0.55 0.09 0.00 0.04 0.00 0.00 61.00 60.85 2ka3 s PRO 955 Cb -0.01 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 2ka3 s PRO 955 CO -0.06 -2.84 -0.24 -0.51 0.04 0.00 0.00 177.00 173.38 2ka3 s LEU 956 N 7.90 2.17 0.32 -3.56 1.02 -1.26 -4.96 118.68 120.31 2ka3 s LEU 956 Ca 0.59 -0.57 -0.03 0.00 0.02 0.00 0.00 54.13 54.15 2ka3 s LEU 956 Cb -0.05 -1.16 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 2ka3 s LEU 956 CO -0.02 0.22 0.57 -1.10 0.02 0.00 0.00 176.35 176.03 2ka3 s GLN 957 N -1.23 3.56 -0.03 1.70 -0.21 -1.26 -5.02 119.66 117.16 2ka3 s GLN 957 Ca 0.10 -0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 2ka3 s GLN 957 Cb -0.09 -2.64 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 2ka3 s GLN 957 CO 0.02 0.16 1.44 0.00 -2.12 0.00 0.00 175.29 174.79 2ka3 s ALA 958 N -2.22 3.60 0.00 6.09 0.00 -1.26 -2.93 121.76 125.04 2ka3 s ALA 958 Ca 0.42 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2ka3 s ALA 958 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2ka3 s ALA 958 CO 0.34 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2ka3 n GLY 959 N 3.75 1.56 3.67 0.00 0.00 -0.82 -5.04 105.19 108.31 2ka3 n GLY 959 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.39 1.76 -0.06 1.61 1.11 -1.15 -4.73 116.67 112.82 2ka3 s ASP 960 Ca 0.00 0.71 -0.02 0.00 0.18 0.00 0.00 52.55 53.42 2ka3 s ASP 960 Cb 0.00 -1.04 0.04 0.00 1.07 0.00 0.00 42.92 42.98 2ka3 s ASP 960 CO 0.00 -3.61 0.12 -0.89 1.18 0.00 0.00 175.17 171.96 2ka3 s THR 961 N -3.14 -0.12 0.09 -1.27 2.01 -1.26 -3.84 115.64 108.11 2ka3 s THR 961 Ca 0.70 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 2ka3 s THR 961 Cb -0.11 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 2ka3 s THR 961 CO 0.56 0.11 0.32 0.68 -0.69 0.00 0.00 174.62 175.60 2ka3 s VAL 962 N 1.61 5.24 -0.05 3.82 -7.23 -1.24 -4.41 120.40 118.13 2ka3 s VAL 962 Ca -0.04 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.09 2ka3 s VAL 962 Cb -0.12 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.22 2ka3 s VAL 962 CO -0.05 0.15 0.14 0.00 -0.31 0.00 0.00 175.10 175.03 2ka3 s VAL 964 N 0.22 5.18 -0.15 0.00 1.01 -1.26 -1.70 120.40 123.70 2ka3 s VAL 964 Ca -0.01 0.95 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 2ka3 s VAL 964 Cb -0.02 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2ka3 s VAL 964 CO -0.01 0.33 0.03 -0.62 0.00 0.00 0.00 175.10 174.83 2ka3 s ASP 965 N 0.58 5.39 -0.53 3.32 2.15 -1.19 -4.91 116.67 121.47 2ka3 s ASP 965 Ca 0.26 0.07 0.06 0.00 0.43 0.00 0.00 52.55 53.38 2ka3 s ASP 965 Cb -0.15 -1.81 0.23 0.00 -0.30 0.00 0.00 42.92 40.90 2ka3 s ASP 965 CO 0.10 0.24 0.60 -0.11 -0.17 0.00 0.00 175.17 175.83 2ka3 n LEU 966 N 3.08 1.97 -3.15 -1.34 7.94 -1.26 -4.14 117.00 120.10 2ka3 n LEU 966 Ca -0.17 -5.04 0.04 0.00 -1.11 0.00 0.00 56.01 49.73 2ka3 n LEU 966 Cb 0.53 -0.09 -0.00 0.00 0.53 0.00 0.00 43.42 44.39 2ka3 n LEU 966 CO 0.33 2.01 0.18 -0.69 -1.11 0.00 0.00 177.39 178.11 2ka3 s VAL 967 N -1.65 -0.86 -0.46 1.96 1.01 -1.26 -5.05 120.40 114.09 2ka3 s VAL 967 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.40 2ka3 s VAL 967 Cb 0.12 -0.87 0.24 0.00 0.00 0.00 0.00 36.38 35.88 2ka3 s VAL 967 CO -0.08 0.00 0.77 0.23 0.00 0.00 0.00 175.10 176.02 2ka3 n MET 968 N 5.36 0.76 0.00 2.72 2.81 -1.26 -5.05 117.12 122.46 2ka3 n MET 968 Ca 0.05 -2.21 0.00 0.00 -1.81 0.00 0.00 57.70 53.74 2ka3 n MET 968 Cb 0.55 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 1.57 3.52 0.04 3.03 0.00 -1.26 -4.18 105.19 107.91 2ka3 n GLY 969 Ca 0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.58 2.55 -3.03 1.61 7.27 -1.26 -4.79 117.38 119.15 2ka3 n GLN 970 Ca 0.00 -0.01 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 2ka3 n GLN 970 Cb 0.00 -1.20 -0.02 0.00 2.41 0.00 0.00 30.24 31.43 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 -4.50 5.46 0.00 1.69 2.96 -1.26 -4.91 118.68 118.12 2ka3 s LEU 971 Ca -0.04 -2.47 0.00 0.00 -0.22 0.00 0.00 54.13 51.41 2ka3 s LEU 971 Cb 0.03 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2ka3 s LEU 971 CO 0.32 -0.85 0.00 0.00 -1.32 0.00 0.00 176.35 174.50 2ka3 n ALA 972 N 5.63 0.00 -2.39 5.97 0.00 -1.26 -5.15 120.51 123.31 2ka3 n ALA 972 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 2ka3 n ALA 972 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.35 1.92 -0.10 0.00 2.46 -1.26 -5.13 115.29 111.83 2ka3 s HIS 973 Ca 0.00 -0.48 -0.18 0.00 0.47 0.00 0.00 55.06 54.87 2ka3 s HIS 973 Cb 0.00 -0.87 -0.04 0.00 -0.13 0.00 0.00 32.58 31.54 2ka3 s HIS 973 CO 0.00 0.48 0.48 0.45 -2.47 0.00 0.00 174.74 173.69 2ka3 s SER 974 N -3.34 6.72 -0.05 9.88 0.15 -1.26 -5.05 113.70 120.75 2ka3 s SER 974 Ca 0.25 0.86 -0.26 0.00 0.70 0.00 0.00 55.95 57.49 2ka3 s SER 974 Cb -0.03 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 2ka3 s SER 974 CO 0.10 0.03 0.58 -0.70 1.20 0.00 0.00 173.24 174.45 2ka3 s GLU 975 N 0.42 0.93 -0.21 5.44 -6.30 -1.26 -5.15 118.70 112.58 2ka3 s GLU 975 Ca 0.26 0.19 0.00 0.00 -2.50 0.00 0.00 54.97 52.92 2ka3 s GLU 975 Cb -0.16 0.44 0.05 0.00 0.00 0.00 0.00 34.13 34.46 2ka3 s GLU 975 CO 0.11 -0.27 -0.06 -1.83 0.02 0.00 0.00 175.26 173.23 2ka3 s GLU 976 N -1.12 1.58 0.47 4.30 4.04 -1.26 -5.14 118.70 121.57 2ka3 s GLU 976 Ca -0.11 -0.80 0.08 0.00 0.04 0.00 0.00 54.97 54.18 2ka3 s GLU 976 Cb -0.02 -2.38 0.03 0.00 0.02 0.00 0.00 34.13 31.79 2ka3 s GLU 976 CO 0.08 -0.53 0.64 -1.25 -1.84 0.00 0.00 175.26 172.36 2ka3 s PRO 977 N 1.49 2.67 -0.02 -4.83 0.04 -1.26 -5.12 135.00 127.96 2ka3 s PRO 977 Ca -0.03 -1.32 0.06 0.00 0.04 0.00 0.00 61.00 59.75 2ka3 s PRO 977 Cb -0.17 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2ka3 s PRO 977 CO -0.07 -0.46 -0.20 -0.51 0.04 0.00 0.00 177.00 175.80 2ka3 s LEU 978 N -4.46 2.44 0.00 -3.56 1.02 -1.26 -5.06 118.68 107.81 2ka3 s LEU 978 Ca 0.57 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.37 2ka3 s LEU 978 Cb -0.09 -1.46 -0.00 0.00 0.02 0.00 0.00 46.19 44.66 2ka3 s LEU 978 CO 0.35 0.32 -0.01 0.42 0.02 0.00 0.00 176.35 177.44 2ka3 s THR 979 N -0.73 0.05 -0.11 5.49 -4.23 -1.26 -4.86 115.64 109.99 2ka3 s THR 979 Ca 0.12 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.42 2ka3 s THR 979 Cb -0.10 -0.09 -0.00 0.00 1.34 0.00 0.00 72.50 73.64 2ka3 s THR 979 CO 0.01 -0.11 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.15 2ka3 s ILE 980 N -0.35 2.40 -0.27 2.99 -1.09 -1.26 -4.41 121.20 119.21 2ka3 s ILE 980 Ca -0.04 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 2ka3 s ILE 980 Cb -0.02 -1.96 0.08 0.00 -1.58 0.00 0.00 42.46 38.98 2ka3 s ILE 980 CO -0.00 0.55 0.00 0.12 -1.23 0.00 0.00 174.94 174.38 2ka3 s PHE 981 N 0.39 2.54 0.25 3.97 2.19 -1.22 -2.95 117.98 123.15 2ka3 s PHE 981 Ca -0.15 -2.02 0.05 0.00 0.33 0.00 0.00 56.93 55.14 2ka3 s PHE 981 Cb -0.17 -1.90 -0.03 0.00 -1.31 0.00 0.00 43.02 39.61 2ka3 s PHE 981 CO 0.07 -0.83 0.34 -1.54 1.83 0.00 0.00 175.22 175.09 2ka3 s SER 982 N 1.34 6.15 -0.30 6.13 1.04 -1.17 -2.06 113.70 124.82 2ka3 s SER 982 Ca 0.01 -0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.25 2ka3 s SER 982 Cb -0.19 -1.72 0.17 0.00 0.10 0.00 0.00 66.02 64.39 2ka3 s SER 982 CO -0.11 -0.10 1.22 -0.83 0.98 0.00 0.00 173.24 174.40 2ka3 s GLY 983 N -3.98 -0.09 0.04 7.32 0.00 -0.85 -3.48 107.32 106.29 2ka3 s GLY 983 Ca 0.35 3.14 0.09 0.00 0.00 0.00 0.00 44.72 48.29 2ka3 s GLY 983 CO 0.29 3.96 -0.24 0.00 0.00 0.00 0.00 173.10 177.10 2ka3 s ALA 984 N 2.97 2.34 -0.08 3.20 0.00 -0.82 -2.79 121.76 126.58 2ka3 s ALA 984 Ca -0.09 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 2ka3 s ALA 984 Cb -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2ka3 s ALA 984 CO -0.07 0.54 1.28 -1.17 0.00 0.00 0.00 175.76 176.34 2ka3 s LEU 985 N -1.22 4.25 -0.20 0.00 2.96 -1.25 -1.60 118.68 121.63 2ka3 s LEU 985 Ca 0.12 1.84 -0.17 0.00 -0.22 0.00 0.00 54.13 55.71 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 0.02 -0.69 -0.33 -0.11 -1.32 0.00 0.00 176.35 173.93 2ka3 n LEU 986 N 5.82 1.93 -3.92 -0.68 7.94 -1.19 -4.93 117.00 121.98 2ka3 n LEU 986 Ca 0.13 0.36 -0.22 0.00 -1.11 0.00 0.00 56.01 55.16 2ka3 n LEU 986 Cb 0.45 -0.77 -0.17 0.00 0.53 0.00 0.00 43.42 43.46 2ka3 n LEU 986 CO 0.56 -0.10 -0.43 -0.47 -1.11 0.00 0.00 177.39 175.85 2ka3 s TYR 987 N -2.76 1.02 -0.14 1.96 5.04 -0.75 -5.05 117.35 116.66 2ka3 s TYR 987 Ca -0.30 -0.36 -0.15 0.00 -2.44 0.00 0.00 57.07 53.83 2ka3 s TYR 987 Cb 0.06 -0.86 -0.05 0.00 0.35 0.00 0.00 41.96 41.47 2ka3 s TYR 987 CO 0.43 -0.27 0.35 0.20 -1.34 0.00 0.00 175.55 174.92 2ka3 s GLY 988 N 1.06 2.28 0.10 8.97 0.00 -1.26 -1.56 107.32 116.90 2ka3 s GLY 988 Ca -0.08 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 43.96 2ka3 s GLY 988 CO -0.01 0.49 1.36 0.99 0.00 0.00 0.00 173.10 175.94 2ka3 s ASP 989 N 0.37 6.86 -0.97 1.64 1.01 -1.25 -4.97 116.67 119.35 2ka3 s ASP 989 Ca 0.20 2.26 -0.04 0.00 0.71 0.00 0.00 52.55 55.68 2ka3 s ASP 989 Cb -0.14 -2.58 0.24 0.00 1.01 0.00 0.00 42.92 41.45 2ka3 s ASP 989 CO 0.06 -0.63 0.90 -2.16 0.21 0.00 0.00 175.17 173.55 2ka3 s PRO 990 N 1.23 3.60 0.00 8.23 0.04 -1.26 -4.85 135.00 142.00 2ka3 s PRO 990 Ca 0.64 -3.28 0.00 0.00 0.04 0.00 0.00 61.00 58.40 2ka3 s PRO 990 Cb -0.35 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2ka3 s PRO 990 CO 0.30 -1.26 0.00 0.39 0.04 0.00 0.00 177.00 176.47 2ka3 n GLU 991 N 2.43 0.00 -3.89 4.56 1.02 -1.26 -4.81 120.64 118.69 2ka3 n GLU 991 Ca 0.22 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.06 2ka3 n GLU 991 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.79 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 -1.93 -4.49 -4.62 4.77 -1.26 -4.99 117.00 104.48 2ka3 n LEU 992 Ca 0.00 -0.77 -0.34 0.00 -0.03 0.00 0.00 56.01 54.88 2ka3 n LEU 992 Cb 0.00 -2.25 -0.12 0.00 -2.33 0.00 0.00 43.42 38.72 2ka3 n LEU 992 CO 0.00 0.31 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.38 2ka3 s GLU 993 N -6.58 3.45 -0.24 3.23 2.02 -1.26 -5.08 118.70 114.24 2ka3 s GLU 993 Ca 0.63 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 55.06 2ka3 s GLU 993 Cb -0.33 -2.80 0.07 0.00 0.10 0.00 0.00 34.13 31.17 2ka3 s GLU 993 CO 0.78 0.31 0.01 -1.01 0.02 0.00 0.00 175.26 175.37 2ka3 s HIS 994 N 0.14 1.91 0.00 1.61 3.76 -1.26 -5.25 115.29 116.19 2ka3 s HIS 994 Ca -0.03 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.34 2ka3 s HIS 994 Cb -0.14 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.04 2ka3 s HIS 994 CO 0.03 -0.76 0.00 0.00 -0.85 0.00 0.00 174.74 173.17