#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 1.50 -0.22 0.52 1.01 -1.26 -5.02 120.40 116.94 2ka3 s VAL 847 Ca 0.00 -0.80 0.22 0.00 0.00 0.00 0.00 61.98 61.39 2ka3 s VAL 847 Cb 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2ka3 s VAL 847 CO 0.00 0.25 1.02 -0.81 0.00 0.00 0.00 175.10 175.56 2ka3 n PRO 848 N 4.75 0.61 -3.76 2.72 -0.04 -1.26 -5.00 135.00 133.02 2ka3 n PRO 848 Ca -0.15 0.14 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 2ka3 n PRO 848 Cb 0.48 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.71 -1.46 -5.24 0.54 7.27 -1.26 -5.00 117.38 109.52 2ka3 n GLN 849 Ca -0.01 0.70 -0.31 0.00 0.07 0.00 0.00 57.00 57.44 2ka3 n GLN 849 Cb 0.59 -2.12 -0.17 0.00 2.41 0.00 0.00 30.24 30.95 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 2.04 0.05 1.69 1.01 -1.26 -5.04 120.40 115.93 2ka3 s VAL 850 Ca 0.01 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.96 2ka3 s VAL 850 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2ka3 s VAL 850 CO 0.86 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 176.47 2ka3 s ALA 851 N -0.01 0.60 -0.11 5.51 0.00 -1.26 -3.87 121.76 122.61 2ka3 s ALA 851 Ca -0.08 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 2ka3 s ALA 851 Cb -0.15 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2ka3 s ALA 851 CO 0.05 -0.15 0.34 -0.59 0.00 0.00 0.00 175.76 175.42 2ka3 s PHE 852 N -2.32 -0.35 -0.30 0.00 -0.71 -1.07 -3.36 117.98 109.87 2ka3 s PHE 852 Ca -0.03 0.82 -0.14 0.00 -1.04 0.00 0.00 56.93 56.55 2ka3 s PHE 852 Cb -0.04 0.13 0.16 0.00 -1.21 0.00 0.00 43.02 42.06 2ka3 s PHE 852 CO -0.03 -0.22 0.94 0.45 -1.34 0.00 0.00 175.22 175.02 2ka3 s SER 853 N -0.07 -0.67 0.16 1.98 0.15 0.38 -1.88 113.70 113.74 2ka3 s SER 853 Ca -0.02 0.84 0.09 0.00 0.70 0.00 0.00 55.95 57.56 2ka3 s SER 853 Cb -0.03 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.97 2ka3 s SER 853 CO 0.01 -0.13 -0.21 0.00 1.20 0.00 0.00 173.24 174.12 2ka3 s ALA 854 N 2.56 2.14 0.04 5.45 0.00 -0.91 -2.09 121.76 128.96 2ka3 s ALA 854 Ca -0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.42 2ka3 s ALA 854 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2ka3 s ALA 854 CO -0.17 0.33 0.05 0.00 0.00 0.00 0.00 175.76 175.97 2ka3 s ALA 855 N -1.72 0.10 -0.07 0.00 0.00 -0.33 -3.43 121.76 116.31 2ka3 s ALA 855 Ca 0.15 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2ka3 s ALA 855 Cb -0.07 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.33 2ka3 s ALA 855 CO 0.07 -0.33 -0.09 -1.17 0.00 0.00 0.00 175.76 174.24 2ka3 s LEU 856 N -2.33 1.46 0.00 0.00 1.98 -1.26 -2.30 118.68 116.23 2ka3 s LEU 856 Ca -0.02 -0.26 0.00 0.00 -2.89 0.00 0.00 54.13 50.96 2ka3 s LEU 856 Cb 0.01 -0.74 0.00 0.00 0.66 0.00 0.00 46.19 46.12 2ka3 s LEU 856 CO -0.06 -0.02 0.08 -1.54 -1.89 0.00 0.00 176.35 172.92 2ka3 n SER 857 N 4.13 0.00 -1.64 3.68 3.41 -1.26 -4.86 113.62 117.08 2ka3 n SER 857 Ca -0.21 -0.88 -0.16 0.00 -0.26 0.00 0.00 58.87 57.36 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 -1.10 0.00 1.04 -0.00 -1.26 -4.95 117.00 110.72 2ka3 n LEU 858 Ca 0.00 0.31 -0.20 0.00 -0.00 0.00 0.00 56.01 56.12 2ka3 n LEU 858 Cb 0.44 -0.34 -0.14 0.00 -0.00 0.00 0.00 43.42 43.39 2ka3 n LEU 858 CO 0.00 -1.61 -0.09 1.55 -0.00 0.00 0.00 177.39 177.24 2ka3 h PRO 859 N 0.12 0.20 -2.81 1.47 0.13 -2.07 -3.49 132.00 125.55 2ka3 h PRO 859 Ca -0.14 -0.34 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2ka3 h PRO 859 Cb 0.55 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 2ka3 h PRO 859 CO 0.18 1.16 0.33 -0.98 -0.23 0.00 0.00 178.00 178.46 2ka3 s ARG 860 N -2.40 1.72 0.00 0.86 1.70 -1.26 -5.13 118.95 114.43 2ka3 s ARG 860 Ca -0.18 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.08 2ka3 s ARG 860 Cb 0.02 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 2ka3 s ARG 860 CO 0.76 -0.79 0.00 0.43 -1.08 0.00 0.00 175.30 174.62 2ka3 n SER 861 N -0.73 0.00 -4.81 -2.89 7.64 -1.26 -4.98 113.62 106.58 2ka3 n SER 861 Ca -0.05 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.61 2ka3 n SER 861 Cb 0.60 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.00 2.69 0.14 1.43 2.02 -1.26 -5.03 118.70 118.69 2ka3 s GLU 862 Ca 0.00 -1.29 0.26 0.00 0.02 0.00 0.00 54.97 53.97 2ka3 s GLU 862 Cb 0.00 -2.43 0.94 0.00 0.10 0.00 0.00 34.13 32.75 2ka3 s GLU 862 CO 0.00 0.19 1.81 -0.35 0.02 0.00 0.00 175.26 176.93 2ka3 n PRO 863 N -1.26 0.17 0.00 0.39 -0.04 -1.26 -4.96 135.00 128.04 2ka3 n PRO 863 Ca -0.04 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2ka3 n PRO 863 Cb 0.59 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.24 2.24 3.75 0.55 0.00 -1.26 -5.15 105.19 106.57 2ka3 n GLY 864 Ca 0.06 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.16 2.51 0.45 2.61 2.01 -1.26 -4.98 115.64 116.83 2ka3 s THR 865 Ca 0.00 0.46 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 2ka3 s THR 865 Cb 0.00 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 2ka3 s THR 865 CO 0.00 0.08 1.26 0.68 -0.69 0.00 0.00 174.62 175.95 2ka3 s VAL 866 N -0.36 2.71 0.00 3.82 -7.23 -1.26 -5.05 120.40 113.03 2ka3 s VAL 866 Ca 0.57 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 2ka3 s VAL 866 Cb -0.43 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2ka3 s VAL 866 CO 0.48 0.03 0.00 -0.81 -0.31 0.00 0.00 175.10 174.50 2ka3 n PRO 867 N -0.32 3.77 -3.75 4.82 -0.04 -1.26 -4.49 135.00 133.73 2ka3 n PRO 867 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2ka3 n PRO 867 Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.79 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 3.41 -0.34 -0.06 0.54 -0.71 -1.26 -4.82 117.98 114.74 2ka3 s PHE 868 Ca 0.00 0.80 0.03 0.00 -1.04 0.00 0.00 56.93 56.72 2ka3 s PHE 868 Cb 0.00 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 2ka3 s PHE 868 CO 0.00 -0.20 0.08 -0.40 -1.34 0.00 0.00 175.22 173.36 2ka3 n ASP 869 N 3.69 2.49 -4.29 1.98 5.68 -1.18 -4.85 116.55 120.06 2ka3 n ASP 869 Ca -0.20 -0.25 -0.43 0.00 -0.50 0.00 0.00 54.79 53.41 2ka3 n ASP 869 Cb 0.55 1.07 -0.02 0.00 -1.14 0.00 0.00 41.12 41.58 2ka3 n ASP 869 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2ka3 s ARG 870 N -1.76 3.93 -0.66 0.11 1.81 -0.97 -4.98 118.95 116.42 2ka3 s ARG 870 Ca -0.00 -3.14 -0.26 0.00 -1.72 0.00 0.00 55.73 50.61 2ka3 s ARG 870 Cb 0.02 -4.41 -0.04 0.00 -0.45 0.00 0.00 34.95 30.07 2ka3 s ARG 870 CO 0.11 -1.25 1.98 0.08 -0.68 0.00 0.00 175.30 175.54 2ka3 s VAL 871 N -1.11 3.31 -0.08 3.52 1.01 -1.26 -1.19 120.40 124.60 2ka3 s VAL 871 Ca 0.28 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2ka3 s VAL 871 Cb -0.10 -3.78 -0.27 0.00 0.00 0.00 0.00 36.38 32.24 2ka3 s VAL 871 CO -0.09 -0.75 0.54 -0.07 0.00 0.00 0.00 175.10 174.73 2ka3 h LEU 872 N 17.43 0.39 -6.99 3.92 3.38 -1.80 -3.46 115.31 128.17 2ka3 h LEU 872 Ca -0.18 -0.75 0.08 0.00 0.09 0.00 0.00 57.88 57.12 2ka3 h LEU 872 Cb 1.14 -0.13 -0.25 0.00 0.09 0.00 0.00 40.66 41.52 2ka3 h LEU 872 CO 1.20 1.66 0.24 -0.22 0.09 0.00 0.00 178.44 181.41 2ka3 s LEU 873 N -6.94 -0.67 0.00 1.67 2.96 -1.24 -5.03 118.68 109.43 2ka3 s LEU 873 Ca -0.17 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 2ka3 s LEU 873 Cb 0.07 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.74 2ka3 s LEU 873 CO 0.81 -0.17 0.00 -3.20 -1.32 0.00 0.00 176.35 172.47 2ka3 n ASN 874 N 3.96 0.00 -0.23 3.68 2.85 -1.22 -0.47 115.26 123.84 2ka3 n ASN 874 Ca -0.19 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.23 2ka3 n ASN 874 Cb 0.58 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.66 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 0.70 0.36 1.20 2.03 -1.96 -3.19 116.42 115.56 2ka3 h ASP 875 Ca 0.00 -0.01 -0.26 0.00 -0.73 0.00 0.00 57.03 56.03 2ka3 h ASP 875 Cb 0.00 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 38.29 2ka3 h ASP 875 CO 0.00 0.50 -1.86 0.61 -1.03 0.00 0.00 179.24 177.46 2ka3 n GLY 876 N -1.28 -1.05 0.00 7.15 0.00 -1.26 -5.00 105.19 103.74 2ka3 n GLY 876 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.55 2.86 5.12 -0.02 0.00 -1.21 -5.00 105.19 108.49 2ka3 n GLY 877 Ca -0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.33 -0.72 1.13 -1.26 -4.08 117.35 115.33 2ka3 s TYR 879 Ca 0.00 0.32 -0.26 0.00 -1.41 0.00 0.00 57.07 55.72 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 0.93 0.34 -2.51 0.00 0.00 175.55 174.11 2ka3 s ASP 880 N 1.67 6.76 0.00 -0.18 -1.08 -1.02 -4.92 116.67 117.90 2ka3 s ASP 880 Ca 0.13 0.77 0.21 0.00 -0.52 0.00 0.00 52.55 53.14 2ka3 s ASP 880 Cb -0.16 -2.47 0.53 0.00 -1.46 0.00 0.00 42.92 39.36 2ka3 s ASP 880 CO 0.10 -0.79 1.45 -0.81 0.52 0.00 0.00 175.17 175.64 2ka3 n PRO 881 N 6.62 2.26 0.03 4.34 -0.04 -1.26 -0.29 135.00 146.65 2ka3 n PRO 881 Ca 0.08 -1.91 -0.19 0.00 -0.04 0.00 0.00 63.50 61.44 2ka3 n PRO 881 Cb 0.48 -1.47 -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 3.61 0.27 0.00 0.54 5.08 -1.92 -3.33 114.58 118.83 2ka3 h GLU 882 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ka3 h GLU 882 Cb 0.80 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2ka3 h GLU 882 CO 0.00 1.20 -0.78 0.25 -1.00 0.00 0.00 179.01 178.68 2ka3 n THR 883 N -4.20 0.00 -1.75 1.13 -2.24 -1.25 -4.93 114.28 101.04 2ka3 n THR 883 Ca -0.13 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2ka3 n THR 883 Cb 0.76 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 1.37 0.65 3.32 3.38 0.00 0.60 -4.47 105.19 110.03 2ka3 n GLY 884 Ca 0.02 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.09 5.03 -0.37 1.61 1.01 -0.59 -4.18 120.40 120.82 2ka3 s VAL 885 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.46 2ka3 s VAL 885 Cb 0.00 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2ka3 s VAL 885 CO 0.00 -0.74 0.25 0.12 0.00 0.00 0.00 175.10 174.73 2ka3 s PHE 886 N 1.57 3.23 -0.42 5.22 2.19 -1.24 -2.45 117.98 126.08 2ka3 s PHE 886 Ca 0.04 -0.55 -0.15 0.00 0.33 0.00 0.00 56.93 56.59 2ka3 s PHE 886 Cb -0.27 -2.51 0.03 0.00 -1.31 0.00 0.00 43.02 38.96 2ka3 s PHE 886 CO 0.04 -0.52 0.34 0.99 1.83 0.00 0.00 175.22 177.89 2ka3 s THR 887 N 1.66 5.22 -0.45 0.12 2.01 -1.26 -3.23 115.64 119.71 2ka3 s THR 887 Ca 0.05 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 2ka3 s THR 887 Cb -0.18 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.38 2ka3 s THR 887 CO 0.09 -0.36 0.71 0.00 -0.69 0.00 0.00 174.62 174.37 2ka3 s ALA 888 N 1.76 3.32 -2.04 7.40 0.00 -1.24 -4.73 121.76 126.22 2ka3 s ALA 888 Ca 0.06 -1.16 0.25 0.00 0.00 0.00 0.00 51.96 51.11 2ka3 s ALA 888 Cb -0.19 -3.39 0.39 0.00 0.00 0.00 0.00 23.12 19.93 2ka3 s ALA 888 CO 0.10 -1.88 1.34 -0.35 0.00 0.00 0.00 175.76 174.97 2ka3 n PRO 889 N 6.50 1.19 0.03 0.00 -0.04 -1.26 -1.85 135.00 139.57 2ka3 n PRO 889 Ca -0.00 -0.87 -0.10 0.00 -0.04 0.00 0.00 63.50 62.48 2ka3 n PRO 889 Cb 0.48 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 2.13 -0.60 -2.49 1.53 3.38 -1.95 -3.48 115.31 113.84 2ka3 h LEU 890 Ca 0.00 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2ka3 h LEU 890 Cb 0.66 0.26 0.04 0.00 0.09 0.00 0.00 40.66 41.71 2ka3 h LEU 890 CO 0.00 -0.26 -0.27 0.00 0.09 0.00 0.00 178.44 178.00 2ka3 n ALA 891 N -2.60 -2.52 -3.00 1.53 0.00 -1.26 -4.82 120.51 107.83 2ka3 n ALA 891 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ka3 n ALA 891 Cb 0.25 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.65 0.85 3.62 0.00 0.00 -1.26 -3.46 105.19 103.28 2ka3 n GLY 892 Ca -0.04 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.89 4.07 0.05 1.61 3.52 -0.33 -4.96 118.95 121.03 2ka3 s ARG 893 Ca 0.00 0.22 0.08 0.00 -0.13 0.00 0.00 55.73 55.89 2ka3 s ARG 893 Cb 0.00 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2ka3 s ARG 893 CO 0.00 -0.28 -0.19 -0.47 -0.81 0.00 0.00 175.30 173.55 2ka3 s TYR 894 N 2.07 2.52 -0.28 5.12 5.04 -1.26 -2.39 117.35 128.17 2ka3 s TYR 894 Ca 0.19 -0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.49 2ka3 s TYR 894 Cb -0.16 -1.44 0.01 0.00 0.35 0.00 0.00 41.96 40.72 2ka3 s TYR 894 CO 0.09 0.25 0.05 -1.17 -1.34 0.00 0.00 175.55 173.43 2ka3 s LEU 895 N -1.46 3.70 -0.07 6.97 2.96 -0.71 -4.75 118.68 125.32 2ka3 s LEU 895 Ca 0.14 -0.75 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2ka3 s LEU 895 Cb -0.10 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2ka3 s LEU 895 CO 0.05 -0.18 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.56 2ka3 s LEU 896 N 1.46 2.84 -0.11 -0.68 0.20 -1.26 -1.84 118.68 119.29 2ka3 s LEU 896 Ca 0.02 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.62 2ka3 s LEU 896 Cb -0.17 -1.60 0.06 0.00 -0.43 0.00 0.00 46.19 44.05 2ka3 s LEU 896 CO 0.01 0.31 0.19 -0.44 -0.29 0.00 0.00 176.35 176.13 2ka3 s SER 897 N -0.52 0.76 0.15 3.68 0.01 -1.25 -4.86 113.70 111.67 2ka3 s SER 897 Ca 0.07 0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.70 2ka3 s SER 897 Cb -0.12 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 2ka3 s SER 897 CO 0.02 -0.25 0.08 0.00 0.41 0.00 0.00 173.24 173.49 2ka3 s ALA 898 N 2.32 3.44 -0.24 1.44 0.00 -1.26 -3.24 121.76 124.22 2ka3 s ALA 898 Ca 0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 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 0.54 0.09 0.08 0.00 0.00 0.00 175.76 176.40 2ka3 s VAL 899 N -1.66 4.54 -0.22 0.00 1.01 -1.17 -5.06 120.40 117.83 2ka3 s VAL 899 Ca 0.29 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2ka3 s VAL 899 Cb -0.10 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2ka3 s VAL 899 CO 0.21 0.35 0.36 -0.76 0.00 0.00 0.00 175.10 175.26 2ka3 s LEU 900 N 1.42 4.12 -0.00 3.92 1.43 -1.26 -4.64 118.68 123.67 2ka3 s LEU 900 Ca 0.06 0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.28 2ka3 s LEU 900 Cb -0.15 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2ka3 s LEU 900 CO 0.04 -0.08 0.92 -0.89 0.23 0.00 0.00 176.35 176.57 2ka3 s THR 901 N 1.43 4.86 0.14 5.49 2.01 -1.26 -4.99 115.64 123.33 2ka3 s THR 901 Ca 0.16 1.92 -0.25 0.00 0.31 0.00 0.00 61.69 63.84 2ka3 s THR 901 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.11 2ka3 s THR 901 CO 0.08 0.20 1.61 1.23 -0.69 0.00 0.00 174.62 177.05 2ka3 h GLY 902 N 6.63 -0.38 -4.11 4.40 0.00 -1.99 -3.48 103.07 104.14 2ka3 h GLY 902 Ca -0.41 0.40 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 2ka3 h GLY 902 CO 0.75 -0.21 -0.50 1.42 0.00 0.00 0.00 176.54 178.00 2ka3 n HIS 903 N -5.41 -1.06 0.49 5.60 8.25 -1.26 -4.87 115.22 116.96 2ka3 n HIS 903 Ca -0.02 0.45 0.11 0.00 -0.26 0.00 0.00 57.72 58.00 2ka3 n HIS 903 Cb 0.33 -0.76 0.45 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.24 0.16 0.19 -0.41 1.85 -1.26 -3.69 116.66 113.26 2ka3 n ARG 904 Ca -0.05 0.33 0.14 0.00 -1.00 0.00 0.00 57.85 57.27 2ka3 n ARG 904 Cb 0.28 -1.77 0.50 0.00 -1.05 0.00 0.00 32.46 30.43 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 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 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 -2.68 0.00 0.00 5.26 0.28 -1.24 -5.11 120.64 117.14 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 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 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 -0.80 0.00 -3.53 3.44 4.81 -1.26 -4.86 118.16 115.96 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 -0.37 5.28 -0.19 3.15 1.01 -1.26 -3.35 120.40 124.67 2ka3 s VAL 908 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 2ka3 s VAL 908 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2ka3 s VAL 908 CO 0.00 0.30 0.11 -0.70 0.00 0.00 0.00 175.10 174.81 2ka3 s GLU 909 N 1.20 4.06 -0.28 2.72 2.56 -0.80 -4.46 118.70 123.69 2ka3 s GLU 909 Ca 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 54.97 54.81 2ka3 s GLU 909 Cb -0.14 -3.34 0.16 0.00 2.00 0.00 0.00 34.13 32.81 2ka3 s GLU 909 CO 0.06 0.33 0.56 0.00 -0.56 0.00 0.00 175.26 175.65 2ka3 s ALA 910 N 0.24 -1.90 -0.29 6.30 0.00 -1.26 -3.02 121.76 121.83 2ka3 s ALA 910 Ca 0.07 1.78 -0.25 0.00 0.00 0.00 0.00 51.96 53.57 2ka3 s ALA 910 Cb -0.11 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2ka3 s ALA 910 CO -0.01 -1.16 0.84 0.54 0.00 0.00 0.00 175.76 175.97 2ka3 s VAL 911 N 2.79 4.76 0.32 0.00 0.11 -1.26 -3.44 120.40 123.69 2ka3 s VAL 911 Ca 0.11 1.36 -0.29 0.00 -2.93 0.00 0.00 61.98 60.23 2ka3 s VAL 911 Cb -0.14 -4.18 -0.11 0.00 -1.53 0.00 0.00 36.38 30.42 2ka3 s VAL 911 CO -0.19 -0.24 1.47 -0.76 -3.33 0.00 0.00 175.10 172.05 2ka3 s LEU 912 N 3.04 4.36 0.03 2.54 1.43 -0.86 -3.81 118.68 125.40 2ka3 s LEU 912 Ca 0.35 2.88 0.07 0.00 -1.03 0.00 0.00 54.13 56.41 2ka3 s LEU 912 Cb -0.14 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2ka3 s LEU 912 CO 0.12 -0.79 -0.20 -0.55 0.23 0.00 0.00 176.35 175.15 2ka3 s SER 913 N 0.06 3.62 0.30 2.29 0.15 -0.80 -3.63 113.70 115.69 2ka3 s SER 913 Ca 0.56 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 56.48 2ka3 s SER 913 Cb -0.45 -0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 63.24 2ka3 s SER 913 CO 0.54 0.27 0.98 0.00 1.20 0.00 0.00 173.24 176.22 2ka3 s ARG 914 N -1.31 4.62 0.00 5.44 3.03 -1.26 -2.16 118.95 127.32 2ka3 s ARG 914 Ca 0.13 1.48 0.00 0.00 2.03 0.00 0.00 55.73 59.37 2ka3 s ARG 914 Cb -0.10 -2.97 0.00 0.00 -1.03 0.00 0.00 34.95 30.84 2ka3 s ARG 914 CO 0.04 0.29 0.00 -1.13 -1.13 0.00 0.00 175.30 173.36 2ka3 n SER 915 N 0.86 -0.59 0.00 -2.89 3.41 -1.26 -4.73 113.62 108.43 2ka3 n SER 915 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2ka3 n SER 915 Cb 0.48 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.42 4.04 3.02 -1.25 -5.17 115.26 114.48 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 -0.07 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 -0.21 -3.06 0.00 3.52 6.02 -0.92 -4.93 117.38 117.80 2ka3 n GLN 917 Ca 0.00 2.33 0.00 0.00 -0.01 0.00 0.00 57.00 59.32 2ka3 n GLN 917 Cb 0.00 -3.67 0.00 0.00 1.02 0.00 0.00 30.24 27.59 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 -4.24 3.58 3.25 1.08 0.00 -1.26 -4.75 105.19 102.84 2ka3 n GLY 918 Ca -0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -8.12 -3.21 1.61 0.31 -1.26 -1.91 118.33 105.75 2ka3 n VAL 919 Ca 0.00 0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 2ka3 n VAL 919 Cb 0.00 -5.72 -0.07 0.00 -0.91 0.00 0.00 33.84 27.13 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 -2.81 3.51 -0.20 3.52 0.00 -1.23 -3.66 121.76 120.89 2ka3 s ALA 920 Ca 0.07 -0.86 0.16 0.00 0.00 0.00 0.00 51.96 51.33 2ka3 s ALA 920 Cb -0.01 -3.01 -0.24 0.00 0.00 0.00 0.00 23.12 19.85 2ka3 s ALA 920 CO 0.80 -1.10 0.07 2.89 0.00 0.00 0.00 175.76 178.42 2ka3 n ARG 921 N 5.75 0.68 -3.34 0.00 1.85 -1.26 -4.18 116.66 116.17 2ka3 n ARG 921 Ca -0.04 0.03 -0.45 0.00 -1.00 0.00 0.00 57.85 56.39 2ka3 n ARG 921 Cb 0.49 -1.54 -0.00 0.00 -1.05 0.00 0.00 32.46 30.36 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 -2.50 6.01 -0.14 8.89 1.01 -1.26 -4.51 120.40 127.90 2ka3 s VAL 922 Ca -0.13 -3.44 -0.15 0.00 0.00 0.00 0.00 61.98 58.27 2ka3 s VAL 922 Cb 0.06 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2ka3 s VAL 922 CO 0.80 -1.19 0.33 -0.62 0.00 0.00 0.00 175.10 174.42 2ka3 s ASP 923 N 1.32 6.50 -0.12 3.32 2.15 -1.26 -4.11 116.67 124.47 2ka3 s ASP 923 Ca 0.31 0.59 -0.04 0.00 0.43 0.00 0.00 52.55 53.84 2ka3 s ASP 923 Cb -0.10 -2.20 0.06 0.00 -0.30 0.00 0.00 42.92 40.38 2ka3 s ASP 923 CO -0.08 0.10 0.20 -0.55 -0.17 0.00 0.00 175.17 174.66 2ka3 s SER 924 N 0.39 0.82 -1.00 -0.34 0.15 -1.17 -5.07 113.70 107.49 2ka3 s SER 924 Ca 0.19 0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.97 2ka3 s SER 924 Cb -0.14 0.39 0.22 0.00 -1.71 0.00 0.00 66.02 64.79 2ka3 s SER 924 CO 0.05 -0.26 1.04 -0.83 1.20 0.00 0.00 173.24 174.44 2ka3 s GLY 925 N 2.33 2.74 0.00 9.45 0.00 -1.26 -1.91 107.32 118.67 2ka3 s GLY 925 Ca 0.03 -3.45 0.01 0.00 0.00 0.00 0.00 44.72 41.31 2ka3 s GLY 925 CO -0.08 1.50 0.63 0.61 0.00 0.00 0.00 173.10 175.76 2ka3 n GLY 926 N 3.72 -0.11 0.82 0.20 0.00 -1.21 -5.03 105.19 103.57 2ka3 n GLY 926 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.09 0.00 -5.23 2.61 -1.04 -1.26 -4.28 114.28 104.00 2ka3 n THR 946 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 2ka3 n THR 946 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 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 2.06 0.09 -4.42 1.43 -1.26 -4.95 118.68 111.63 2ka3 s LEU 947 Ca 0.00 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2ka3 s LEU 947 Cb 0.00 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2ka3 s LEU 947 CO 0.00 0.23 0.01 -0.83 0.23 0.00 0.00 176.35 175.99 2ka3 s GLY 948 N -0.09 0.74 -0.07 -3.19 0.00 -1.26 -4.98 107.32 98.47 2ka3 s GLY 948 Ca -0.05 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 43.37 2ka3 s GLY 948 CO 0.04 -1.35 -0.23 -1.34 0.00 0.00 0.00 173.10 170.22 2ka3 s VAL 949 N -3.96 1.96 0.03 1.40 -7.23 -1.26 -3.50 120.40 107.84 2ka3 s VAL 949 Ca 0.16 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 2ka3 s VAL 949 Cb 0.08 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2ka3 s VAL 949 CO -0.04 0.54 -0.05 0.72 -0.31 0.00 0.00 175.10 175.96 2ka3 s PHE 950 N 0.09 0.45 0.00 2.82 -0.12 -1.26 -5.02 117.98 114.94 2ka3 s PHE 950 Ca -0.10 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 2ka3 s PHE 950 Cb -0.15 -0.28 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 2ka3 s PHE 950 CO 0.06 -0.12 0.00 0.43 -0.05 0.00 0.00 175.22 175.54 2ka3 n SER 951 N 1.72 0.00 0.03 1.98 7.64 -1.26 -4.45 113.62 119.28 2ka3 n SER 951 Ca -0.22 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.53 2ka3 n SER 951 Cb 0.55 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.00 -0.06 0.00 -3.43 5.85 -1.96 -3.45 115.31 112.26 2ka3 h LEU 952 Ca 0.00 -0.32 -0.31 0.00 0.84 0.00 0.00 57.88 58.09 2ka3 h LEU 952 Cb 0.00 0.01 0.11 0.00 0.37 0.00 0.00 40.66 41.15 2ka3 h LEU 952 CO 0.00 0.30 0.25 2.30 -0.34 0.00 0.00 178.44 180.94 2ka3 n ILE 953 N -4.96 0.00 -3.13 4.05 -6.64 -1.26 -4.56 119.36 102.85 2ka3 n ILE 953 Ca -0.08 -0.79 0.03 0.00 -1.77 0.00 0.00 62.75 60.14 2ka3 n ILE 953 Cb 0.20 -1.51 -0.00 0.00 -1.44 0.00 0.00 39.64 36.88 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 -1.34 -0.87 7.28 -0.00 -1.26 -4.98 118.68 117.52 2ka3 s LEU 954 Ca 0.52 -0.30 -0.25 0.00 -0.00 0.00 0.00 54.13 54.10 2ka3 s LEU 954 Cb -0.02 1.76 0.01 0.00 -0.00 0.00 0.00 46.19 47.94 2ka3 s LEU 954 CO 0.36 -0.19 1.59 -2.16 -0.00 0.00 0.00 176.35 175.95 2ka3 s PRO 955 N 2.31 3.12 0.05 1.48 0.04 -1.26 -4.93 135.00 135.80 2ka3 s PRO 955 Ca 0.15 -0.48 0.09 0.00 0.04 0.00 0.00 61.00 60.80 2ka3 s PRO 955 Cb -0.05 -4.89 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 2ka3 s PRO 955 CO -0.16 -2.55 -0.26 -0.51 0.04 0.00 0.00 177.00 173.56 2ka3 s LEU 956 N 6.96 2.17 0.28 -3.56 1.02 -1.26 -5.00 118.68 119.29 2ka3 s LEU 956 Ca 0.52 -0.58 0.04 0.00 0.02 0.00 0.00 54.13 54.13 2ka3 s LEU 956 Cb -0.05 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.89 2ka3 s LEU 956 CO 0.02 0.24 0.42 -1.10 0.02 0.00 0.00 176.35 175.96 2ka3 s GLN 957 N -1.24 3.42 -0.04 1.70 -0.21 -1.26 -5.01 119.66 117.01 2ka3 s GLN 957 Ca 0.11 -0.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 2ka3 s GLN 957 Cb -0.10 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 2ka3 s GLN 957 CO 0.02 0.32 1.39 0.00 -2.12 0.00 0.00 175.29 174.90 2ka3 s ALA 958 N -2.10 3.59 0.00 6.09 0.00 -1.26 -3.30 121.76 124.79 2ka3 s ALA 958 Ca 0.37 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2ka3 s ALA 958 Cb -0.09 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2ka3 s ALA 958 CO 0.31 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2ka3 n GLY 959 N 3.69 0.83 3.57 0.00 0.00 -0.77 -5.05 105.19 107.46 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 0.99 0.00 0.00 0.00 173.32 174.31 2ka3 s ASP 960 N -2.58 1.49 -0.06 1.61 1.11 -1.21 -4.77 116.67 112.26 2ka3 s ASP 960 Ca 0.00 1.14 -0.02 0.00 0.18 0.00 0.00 52.55 53.85 2ka3 s ASP 960 Cb 0.00 -1.76 0.04 0.00 1.07 0.00 0.00 42.92 42.27 2ka3 s ASP 960 CO 0.00 -3.83 0.12 -0.89 1.18 0.00 0.00 175.17 171.75 2ka3 s THR 961 N -2.77 -0.09 0.15 -1.27 2.01 -1.26 -3.69 115.64 108.72 2ka3 s THR 961 Ca 0.67 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.85 2ka3 s THR 961 Cb -0.19 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 72.05 2ka3 s THR 961 CO 0.60 0.10 0.39 0.68 -0.69 0.00 0.00 174.62 175.69 2ka3 s VAL 962 N 1.41 5.14 -0.04 3.82 -7.23 -1.20 -4.53 120.40 117.78 2ka3 s VAL 962 Ca -0.06 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2ka3 s VAL 962 Cb -0.12 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.22 2ka3 s VAL 962 CO -0.05 0.04 0.09 0.00 -0.31 0.00 0.00 175.10 174.87 2ka3 s VAL 964 N 0.42 5.23 -0.14 0.00 1.01 -1.26 -2.03 120.40 123.62 2ka3 s VAL 964 Ca -0.03 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 2ka3 s VAL 964 Cb -0.04 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2ka3 s VAL 964 CO -0.02 0.34 0.04 -0.62 0.00 0.00 0.00 175.10 174.84 2ka3 s ASP 965 N 0.61 5.46 -0.56 3.32 2.15 -1.22 -4.90 116.67 121.53 2ka3 s ASP 965 Ca 0.22 0.11 0.06 0.00 0.43 0.00 0.00 52.55 53.37 2ka3 s ASP 965 Cb -0.14 -1.80 0.22 0.00 -0.30 0.00 0.00 42.92 40.90 2ka3 s ASP 965 CO 0.08 0.26 0.58 -0.11 -0.17 0.00 0.00 175.17 175.81 2ka3 n LEU 966 N 2.93 2.11 -3.15 -1.34 7.94 -1.26 -4.15 117.00 120.08 2ka3 n LEU 966 Ca -0.18 -5.06 0.04 0.00 -1.11 0.00 0.00 56.01 49.71 2ka3 n LEU 966 Cb 0.53 -0.19 -0.00 0.00 0.53 0.00 0.00 43.42 44.29 2ka3 n LEU 966 CO 0.32 1.97 0.16 -0.69 -1.11 0.00 0.00 177.39 178.04 2ka3 s VAL 967 N -1.58 -0.90 -0.46 1.96 1.01 -1.26 -5.05 120.40 114.12 2ka3 s VAL 967 Ca 0.34 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2ka3 s VAL 967 Cb 0.10 -0.89 0.23 0.00 0.00 0.00 0.00 36.38 35.82 2ka3 s VAL 967 CO -0.10 0.00 0.70 0.23 0.00 0.00 0.00 175.10 175.94 2ka3 n MET 968 N 5.36 0.66 0.00 2.72 2.81 -1.26 -5.05 117.12 122.36 2ka3 n MET 968 Ca 0.06 -2.34 0.00 0.00 -1.81 0.00 0.00 57.70 53.60 2ka3 n MET 968 Cb 0.55 -1.42 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 1.92 3.35 0.01 3.03 0.00 -1.26 -4.27 105.19 107.97 2ka3 n GLY 969 Ca 0.16 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.52 2ka3 n GLY 969 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ka3 n GLN 970 N -0.52 0.64 -3.30 1.61 1.13 -1.26 -4.80 117.38 110.88 2ka3 n GLN 970 Ca 0.00 -0.05 -0.46 0.00 -1.94 0.00 0.00 57.00 54.55 2ka3 n GLN 970 Cb 0.00 -1.14 -0.01 0.00 0.11 0.00 0.00 30.24 29.20 2ka3 n GLN 970 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2ka3 s LEU 971 N -3.56 6.46 0.00 1.08 2.96 -1.26 -4.95 118.68 119.41 2ka3 s LEU 971 Ca -0.02 -3.02 0.00 0.00 -0.22 0.00 0.00 54.13 50.87 2ka3 s LEU 971 Cb 0.03 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2ka3 s LEU 971 CO 0.24 -0.49 0.00 0.00 -1.32 0.00 0.00 176.35 174.78 2ka3 n ALA 972 N 3.68 0.00 -2.44 5.97 0.00 -1.26 -5.15 120.51 121.31 2ka3 n ALA 972 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 2ka3 n ALA 972 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.60 2.05 -0.03 0.00 2.46 -1.26 -5.13 115.29 111.78 2ka3 s HIS 973 Ca 0.00 -0.42 -0.18 0.00 0.47 0.00 0.00 55.06 54.93 2ka3 s HIS 973 Cb 0.00 -0.97 -0.05 0.00 -0.13 0.00 0.00 32.58 31.42 2ka3 s HIS 973 CO 0.00 0.47 0.50 0.45 -2.47 0.00 0.00 174.74 173.69 2ka3 s SER 974 N -2.96 6.85 0.04 9.88 0.15 -1.26 -5.06 113.70 121.34 2ka3 s SER 974 Ca 0.21 1.01 -0.28 0.00 0.70 0.00 0.00 55.95 57.60 2ka3 s SER 974 Cb -0.05 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 62.02 2ka3 s SER 974 CO 0.09 0.16 0.65 -0.70 1.20 0.00 0.00 173.24 174.65 2ka3 s GLU 975 N -0.32 1.14 -0.18 5.44 -6.30 -1.26 -5.15 118.70 112.09 2ka3 s GLU 975 Ca 0.27 -0.06 -0.00 0.00 -2.50 0.00 0.00 54.97 52.67 2ka3 s GLU 975 Cb -0.17 0.53 0.04 0.00 0.00 0.00 0.00 34.13 34.54 2ka3 s GLU 975 CO 0.14 -0.43 -0.07 -1.83 0.02 0.00 0.00 175.26 173.10 2ka3 s GLU 976 N -2.32 1.60 0.52 4.30 -1.05 -1.26 -5.14 118.70 115.35 2ka3 s GLU 976 Ca -0.05 -0.61 0.06 0.00 -0.15 0.00 0.00 54.97 54.21 2ka3 s GLU 976 Cb -0.00 -2.13 0.05 0.00 -0.44 0.00 0.00 34.13 31.61 2ka3 s GLU 976 CO -0.00 -0.43 0.72 -1.25 0.95 0.00 0.00 175.26 175.24 2ka3 s PRO 977 N 1.57 2.51 -0.05 -4.83 0.04 -1.26 -5.12 135.00 127.85 2ka3 s PRO 977 Ca 0.00 -1.22 0.04 0.00 0.04 0.00 0.00 61.00 59.86 2ka3 s PRO 977 Cb -0.16 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 2ka3 s PRO 977 CO -0.08 -0.65 -0.16 -0.51 0.04 0.00 0.00 177.00 175.64 2ka3 s LEU 978 N -4.61 2.60 -0.01 -3.56 1.02 -1.26 -4.97 118.68 107.89 2ka3 s LEU 978 Ca 0.58 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 54.49 2ka3 s LEU 978 Cb -0.08 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.61 2ka3 s LEU 978 CO 0.37 0.33 -0.03 0.42 0.02 0.00 0.00 176.35 177.45 2ka3 s THR 979 N -0.62 0.29 -0.11 5.49 -4.23 -1.26 -4.86 115.64 110.33 2ka3 s THR 979 Ca 0.09 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2ka3 s THR 979 Cb -0.11 -0.26 -0.01 0.00 1.34 0.00 0.00 72.50 73.46 2ka3 s THR 979 CO 0.01 0.09 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.39 2ka3 s ILE 980 N 0.02 2.81 -0.28 2.99 -1.09 -1.26 -4.44 121.20 119.96 2ka3 s ILE 980 Ca 0.00 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2ka3 s ILE 980 Cb -0.03 -2.15 0.08 0.00 -1.58 0.00 0.00 42.46 38.78 2ka3 s ILE 980 CO -0.00 0.54 -0.01 0.12 -1.23 0.00 0.00 174.94 174.36 2ka3 s PHE 981 N 0.23 2.68 0.29 3.97 2.19 -1.22 -3.06 117.98 123.05 2ka3 s PHE 981 Ca -0.10 -2.10 0.06 0.00 0.33 0.00 0.00 56.93 55.11 2ka3 s PHE 981 Cb -0.16 -1.96 -0.02 0.00 -1.31 0.00 0.00 43.02 39.57 2ka3 s PHE 981 CO 0.06 -0.84 0.39 -1.54 1.83 0.00 0.00 175.22 175.12 2ka3 s SER 982 N 1.29 6.04 -0.30 6.13 1.04 -1.20 -2.15 113.70 124.55 2ka3 s SER 982 Ca 0.01 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 2ka3 s SER 982 Cb -0.19 -1.49 0.17 0.00 0.10 0.00 0.00 66.02 64.62 2ka3 s SER 982 CO -0.10 -0.25 1.22 -0.83 0.98 0.00 0.00 173.24 174.26 2ka3 s GLY 983 N -4.06 -0.07 0.01 7.32 0.00 -0.79 -3.74 107.32 106.00 2ka3 s GLY 983 Ca 0.39 3.16 0.08 0.00 0.00 0.00 0.00 44.72 48.35 2ka3 s GLY 983 CO 0.29 3.90 -0.24 0.00 0.00 0.00 0.00 173.10 177.06 2ka3 s ALA 984 N 2.89 2.33 -0.05 3.20 0.00 -0.76 -2.59 121.76 126.77 2ka3 s ALA 984 Ca -0.08 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 2ka3 s ALA 984 Cb -0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2ka3 s ALA 984 CO -0.08 0.54 1.21 -1.17 0.00 0.00 0.00 175.76 176.26 2ka3 s LEU 985 N -1.03 4.28 -0.20 0.00 2.96 -1.25 -1.73 118.68 121.71 2ka3 s LEU 985 Ca 0.12 1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 55.71 2ka3 s LEU 985 Cb -0.10 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 2ka3 s LEU 985 CO 0.01 -0.59 -0.26 -0.11 -1.32 0.00 0.00 176.35 174.09 2ka3 n LEU 986 N 5.16 1.91 -3.96 -0.68 7.94 -1.07 -4.95 117.00 121.37 2ka3 n LEU 986 Ca 0.11 0.40 -0.24 0.00 -1.11 0.00 0.00 56.01 55.17 2ka3 n LEU 986 Cb 0.46 -0.81 -0.17 0.00 0.53 0.00 0.00 43.42 43.43 2ka3 n LEU 986 CO 0.55 -0.00 -0.44 -0.47 -1.11 0.00 0.00 177.39 175.92 2ka3 s TYR 987 N -2.62 1.25 -0.17 1.96 5.04 -1.01 -5.03 117.35 116.77 2ka3 s TYR 987 Ca -0.29 -0.48 -0.15 0.00 -2.44 0.00 0.00 57.07 53.72 2ka3 s TYR 987 Cb 0.07 -0.99 -0.04 0.00 0.35 0.00 0.00 41.96 41.35 2ka3 s TYR 987 CO 0.43 -0.30 0.33 0.20 -1.34 0.00 0.00 175.55 174.86 2ka3 s GLY 988 N 0.99 2.19 0.10 8.97 0.00 -1.26 -1.18 107.32 117.12 2ka3 s GLY 988 Ca -0.09 -0.47 -0.31 0.00 0.00 0.00 0.00 44.72 43.85 2ka3 s GLY 988 CO 0.00 0.56 1.33 0.99 0.00 0.00 0.00 173.10 175.98 2ka3 s ASP 989 N 0.66 6.90 -0.96 1.64 1.01 -1.23 -4.97 116.67 119.72 2ka3 s ASP 989 Ca 0.18 2.24 -0.04 0.00 0.71 0.00 0.00 52.55 55.63 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 0.05 -0.60 0.89 -2.16 0.21 0.00 0.00 175.17 173.56 2ka3 s PRO 990 N 1.09 3.58 0.00 8.23 0.04 -1.26 -4.85 135.00 141.82 2ka3 s PRO 990 Ca 0.63 -3.25 0.00 0.00 0.04 0.00 0.00 61.00 58.42 2ka3 s PRO 990 Cb -0.35 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.04 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 2.47 0.00 -4.10 4.56 1.02 -1.26 -4.80 120.64 118.54 2ka3 n GLU 991 Ca 0.22 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.03 2ka3 n GLU 991 Cb 0.38 0.00 -0.01 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 -2.02 -4.47 -4.62 4.77 -1.26 -4.99 117.00 104.41 2ka3 n LEU 992 Ca 0.00 -0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 54.70 2ka3 n LEU 992 Cb 0.00 -2.24 -0.13 0.00 -2.33 0.00 0.00 43.42 38.73 2ka3 n LEU 992 CO 0.00 0.36 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.44 2ka3 s GLU 993 N -6.79 3.61 -0.25 3.23 2.02 -1.26 -5.07 118.70 114.19 2ka3 s GLU 993 Ca 0.61 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 55.05 2ka3 s GLU 993 Cb -0.33 -2.87 0.07 0.00 0.10 0.00 0.00 34.13 31.10 2ka3 s GLU 993 CO 0.90 0.22 0.01 -1.01 0.02 0.00 0.00 175.26 175.40 2ka3 s HIS 994 N 0.40 1.99 0.00 1.61 3.76 -1.26 -5.25 115.29 116.54 2ka3 s HIS 994 Ca -0.05 -1.62 0.00 0.00 -0.15 0.00 0.00 55.06 53.24 2ka3 s HIS 994 Cb -0.14 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.98 2ka3 s HIS 994 CO 0.03 -0.77 0.00 0.00 -0.85 0.00 0.00 174.74 173.15