#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 1.21 -0.22 0.52 1.01 -1.26 -5.00 120.40 116.66 2ka3 s VAL 847 Ca 0.00 -0.46 0.22 0.00 0.00 0.00 0.00 61.98 61.73 2ka3 s VAL 847 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2ka3 s VAL 847 CO 0.00 0.34 1.01 1.55 0.00 0.00 0.00 175.10 178.01 2ka3 h PRO 848 N 8.13 0.00 -6.61 2.72 0.13 -2.00 -3.49 132.00 130.87 2ka3 h PRO 848 Ca -0.31 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.37 2ka3 h PRO 848 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2ka3 h PRO 848 CO 0.44 0.04 -0.99 0.94 -0.23 0.00 0.00 178.00 178.21 2ka3 n GLN 849 N -2.71 -1.29 -5.22 0.86 7.27 -1.26 -5.00 117.38 110.03 2ka3 n GLN 849 Ca -0.01 0.60 -0.32 0.00 0.07 0.00 0.00 57.00 57.34 2ka3 n GLN 849 Cb 0.59 -1.97 -0.16 0.00 2.41 0.00 0.00 30.24 31.12 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 -2.94 2.21 0.10 1.69 1.01 -1.26 -5.05 120.40 116.16 2ka3 s VAL 850 Ca 0.03 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2ka3 s VAL 850 Cb -0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2ka3 s VAL 850 CO 0.80 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.41 2ka3 s ALA 851 N -0.35 1.00 -0.13 5.51 0.00 -1.26 -3.80 121.76 122.73 2ka3 s ALA 851 Ca 0.02 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 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 0.34 -0.59 0.00 0.00 0.00 175.76 175.34 2ka3 s PHE 852 N -3.33 -0.39 -0.30 0.00 -0.71 -1.09 -3.53 117.98 108.63 2ka3 s PHE 852 Ca 0.10 0.94 -0.14 0.00 -1.04 0.00 0.00 56.93 56.79 2ka3 s PHE 852 Cb 0.03 0.14 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 0.00 175.22 175.08 2ka3 s SER 853 N 0.40 -0.59 0.18 1.98 0.15 0.14 -1.97 113.70 114.00 2ka3 s SER 853 Ca -0.02 0.68 0.11 0.00 0.70 0.00 0.00 55.95 57.42 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 -0.21 0.00 1.20 0.00 0.00 173.24 174.10 2ka3 s ALA 854 N 2.56 2.60 0.09 5.45 0.00 -0.88 -1.96 121.76 129.63 2ka3 s ALA 854 Ca -0.01 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2ka3 s ALA 854 Cb -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2ka3 s ALA 854 CO -0.16 0.46 -0.08 0.00 0.00 0.00 0.00 175.76 175.98 2ka3 s ALA 855 N -1.55 0.99 -0.06 0.00 0.00 -0.10 -3.38 121.76 117.64 2ka3 s ALA 855 Ca 0.20 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2ka3 s ALA 855 Cb -0.09 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2ka3 s ALA 855 CO 0.10 -0.16 -0.09 -1.17 0.00 0.00 0.00 175.76 174.44 2ka3 s LEU 856 N -2.76 1.51 0.00 0.00 1.98 -1.26 -2.41 118.68 115.73 2ka3 s LEU 856 Ca 0.08 -0.24 0.00 0.00 -2.89 0.00 0.00 54.13 51.08 2ka3 s LEU 856 Cb 0.02 -0.69 0.00 0.00 0.66 0.00 0.00 46.19 46.17 2ka3 s LEU 856 CO -0.03 -0.01 0.20 -1.54 -1.89 0.00 0.00 176.35 173.08 2ka3 n SER 857 N 3.96 0.00 -1.04 3.68 3.41 -1.26 -4.87 113.62 117.49 2ka3 n SER 857 Ca -0.23 -0.90 -0.10 0.00 -0.26 0.00 0.00 58.87 57.38 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 -0.74 0.02 1.04 -0.00 -1.26 -4.95 117.00 111.11 2ka3 n LEU 858 Ca 0.00 0.19 -0.20 0.00 -0.00 0.00 0.00 56.01 56.00 2ka3 n LEU 858 Cb 0.45 -0.21 -0.14 0.00 -0.00 0.00 0.00 43.42 43.52 2ka3 n LEU 858 CO 0.00 -1.05 -0.02 1.55 -0.00 0.00 0.00 177.39 177.87 2ka3 h PRO 859 N 0.06 0.24 -2.82 1.47 0.13 -2.06 -3.49 132.00 125.53 2ka3 h PRO 859 Ca -0.09 -0.41 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2ka3 h PRO 859 Cb 0.35 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2ka3 h PRO 859 CO 0.11 1.20 0.41 -0.98 -0.23 0.00 0.00 178.00 178.50 2ka3 s ARG 860 N -2.41 1.88 -0.03 0.86 1.70 -1.26 -5.15 118.95 114.54 2ka3 s ARG 860 Ca -0.16 -1.21 -0.09 0.00 -0.47 0.00 0.00 55.73 53.80 2ka3 s ARG 860 Cb 0.01 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2ka3 s ARG 860 CO 0.79 -0.88 0.25 0.43 -1.08 0.00 0.00 175.30 174.81 2ka3 n SER 861 N -1.38 0.08 -4.31 -2.89 7.64 -1.26 -4.96 113.62 106.54 2ka3 n SER 861 Ca -0.06 0.24 -0.27 0.00 1.01 0.00 0.00 58.87 59.79 2ka3 n SER 861 Cb 0.60 -0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.20 1.41 0.02 1.43 2.12 -1.26 -5.04 118.70 117.57 2ka3 s GLU 862 Ca 0.19 -1.12 0.23 0.00 0.36 0.00 0.00 54.97 54.63 2ka3 s GLU 862 Cb -0.27 -1.66 0.95 0.00 0.26 0.00 0.00 34.13 33.41 2ka3 s GLU 862 CO 0.13 0.41 1.72 -0.35 -0.54 0.00 0.00 175.26 176.63 2ka3 n PRO 863 N 1.44 0.02 0.00 4.30 -0.04 -1.26 -4.92 135.00 134.53 2ka3 n PRO 863 Ca -0.18 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2ka3 n PRO 863 Cb 0.53 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.81 2.66 3.76 0.55 0.00 -1.26 -5.15 105.19 106.56 2ka3 n GLY 864 Ca 0.05 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 0.09 2.31 -0.16 2.61 2.01 -1.26 -4.96 115.64 116.29 2ka3 s THR 865 Ca 0.00 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2ka3 s THR 865 Cb 0.00 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2ka3 s THR 865 CO 0.00 0.02 1.06 -0.69 -0.69 0.00 0.00 174.62 174.32 2ka3 s VAL 866 N -1.30 4.64 0.00 3.82 1.01 -1.26 -5.05 120.40 122.26 2ka3 s VAL 866 Ca 0.65 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.58 2ka3 s VAL 866 Cb -0.39 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.73 2ka3 s VAL 866 CO 0.48 -0.08 0.00 -0.81 0.00 0.00 0.00 175.10 174.69 2ka3 n PRO 867 N 5.69 3.43 -3.72 2.72 -0.04 -1.26 -4.58 135.00 137.24 2ka3 n PRO 867 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2ka3 n PRO 867 Cb 0.47 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.19 -0.52 0.00 0.54 -0.71 -1.26 -4.90 117.98 113.32 2ka3 s PHE 868 Ca 0.00 1.18 0.00 0.00 -1.04 0.00 0.00 56.93 57.07 2ka3 s PHE 868 Cb 0.00 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 2ka3 s PHE 868 CO 0.00 -0.27 0.00 -0.40 -1.34 0.00 0.00 175.22 173.21 2ka3 n ASP 869 N 3.47 0.93 -4.33 1.98 5.75 -1.22 -4.90 116.55 118.22 2ka3 n ASP 869 Ca -0.18 -0.40 -0.46 0.00 -0.01 0.00 0.00 54.79 53.74 2ka3 n ASP 869 Cb 0.56 0.99 -0.01 0.00 -1.03 0.00 0.00 41.12 41.63 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 -1.18 3.78 -0.69 0.11 1.81 -1.01 -4.99 118.95 116.77 2ka3 s ARG 870 Ca 0.00 -2.69 -0.26 0.00 -1.72 0.00 0.00 55.73 51.06 2ka3 s ARG 870 Cb 0.00 -4.46 -0.02 0.00 -0.45 0.00 0.00 34.95 30.02 2ka3 s ARG 870 CO 0.00 -1.28 1.82 0.08 -0.68 0.00 0.00 175.30 175.25 2ka3 s VAL 871 N -0.27 3.42 -0.06 3.52 1.01 -1.26 -0.93 120.40 125.83 2ka3 s VAL 871 Ca 0.22 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 2ka3 s VAL 871 Cb -0.10 -4.06 -0.27 0.00 0.00 0.00 0.00 36.38 31.94 2ka3 s VAL 871 CO -0.09 -1.02 0.60 -0.07 0.00 0.00 0.00 175.10 174.52 2ka3 h LEU 872 N 16.36 0.42 -6.92 3.92 3.38 -1.76 -3.46 115.31 127.25 2ka3 h LEU 872 Ca -0.18 -0.74 0.10 0.00 0.09 0.00 0.00 57.88 57.15 2ka3 h LEU 872 Cb 1.12 -0.14 -0.25 0.00 0.09 0.00 0.00 40.66 41.48 2ka3 h LEU 872 CO 1.23 1.64 0.24 -0.22 0.09 0.00 0.00 178.44 181.42 2ka3 s LEU 873 N -6.99 -0.67 0.00 1.67 2.96 -1.23 -5.01 118.68 109.41 2ka3 s LEU 873 Ca -0.15 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 2ka3 s LEU 873 Cb 0.06 1.91 0.00 0.00 0.50 0.00 0.00 46.19 48.67 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 4.19 0.00 -0.21 3.68 2.85 -1.23 -0.68 115.26 123.87 2ka3 n ASN 874 Ca -0.17 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.24 2ka3 n ASN 874 Cb 0.56 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.62 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 0.69 0.47 1.20 2.03 -1.97 -3.20 116.42 115.63 2ka3 h ASP 875 Ca 0.00 -0.03 -0.22 0.00 -0.73 0.00 0.00 57.03 56.04 2ka3 h ASP 875 Cb 0.00 -0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 38.29 2ka3 h ASP 875 CO 0.00 0.52 -1.71 0.61 -1.03 0.00 0.00 179.24 177.63 2ka3 n GLY 876 N -1.22 -1.10 0.00 7.15 0.00 -1.26 -5.00 105.19 103.77 2ka3 n GLY 876 Ca 0.04 -0.17 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 1.49 2.82 5.13 -0.02 0.00 -1.21 -4.99 105.19 108.41 2ka3 n GLY 877 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.40 1.61 4.01 -1.26 -4.63 117.16 113.49 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 -4.11 117.35 115.33 2ka3 s TYR 879 Ca 0.00 0.36 -0.27 0.00 -1.41 0.00 0.00 57.07 55.75 2ka3 s TYR 879 Cb 0.00 -2.58 0.01 0.00 -1.10 0.00 0.00 41.96 38.29 2ka3 s TYR 879 CO 0.00 -0.25 0.98 0.34 -2.51 0.00 0.00 175.55 174.11 2ka3 s ASP 880 N 1.66 6.88 0.00 -0.18 2.15 -1.16 -4.93 116.67 121.08 2ka3 s ASP 880 Ca 0.14 0.99 0.22 0.00 0.43 0.00 0.00 52.55 54.33 2ka3 s ASP 880 Cb -0.16 -2.50 0.57 0.00 -0.30 0.00 0.00 42.92 40.53 2ka3 s ASP 880 CO 0.10 -0.76 1.46 -0.81 -0.17 0.00 0.00 175.17 175.00 2ka3 n PRO 881 N 6.57 2.11 0.02 4.34 -0.04 -1.26 -0.22 135.00 146.51 2ka3 n PRO 881 Ca 0.09 -1.67 -0.19 0.00 -0.04 0.00 0.00 63.50 61.70 2ka3 n PRO 881 Cb 0.47 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 3.30 0.23 0.00 0.54 5.08 -1.92 -3.33 114.58 118.48 2ka3 h GLU 882 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2ka3 h GLU 882 Cb 0.73 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2ka3 h GLU 882 CO 0.00 1.19 -1.21 0.25 -1.00 0.00 0.00 179.01 178.24 2ka3 n THR 883 N -4.23 0.00 -1.11 1.13 -2.24 -1.25 -4.94 114.28 101.65 2ka3 n THR 883 Ca -0.13 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2ka3 n THR 883 Cb 0.75 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.45 0.61 3.37 3.38 0.00 0.69 -4.59 105.19 110.09 2ka3 n GLY 884 Ca 0.00 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 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 5.20 -0.38 1.61 1.01 -0.82 -4.25 120.40 120.78 2ka3 s VAL 885 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 2ka3 s VAL 885 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.22 2ka3 s VAL 885 CO 0.00 -0.65 0.26 0.12 0.00 0.00 0.00 175.10 174.83 2ka3 s PHE 886 N 1.63 3.23 -0.43 5.22 2.19 -1.23 -3.01 117.98 125.58 2ka3 s PHE 886 Ca 0.04 -0.52 -0.15 0.00 0.33 0.00 0.00 56.93 56.63 2ka3 s PHE 886 Cb -0.26 -2.53 0.04 0.00 -1.31 0.00 0.00 43.02 38.97 2ka3 s PHE 886 CO 0.06 -0.52 0.33 0.99 1.83 0.00 0.00 175.22 177.91 2ka3 s THR 887 N 1.68 5.20 -0.43 0.12 2.01 -1.26 -3.64 115.64 119.31 2ka3 s THR 887 Ca 0.05 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 2ka3 s THR 887 Cb -0.18 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2ka3 s THR 887 CO 0.10 -0.41 0.67 0.00 -0.69 0.00 0.00 174.62 174.29 2ka3 s ALA 888 N 1.66 3.35 -2.58 7.40 0.00 -1.26 -4.69 121.76 125.64 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 -3.32 0.73 0.00 0.00 0.00 0.00 23.12 20.32 2ka3 s ALA 888 CO 0.08 -1.75 1.56 -0.35 0.00 0.00 0.00 175.76 175.31 2ka3 n PRO 889 N 6.33 1.91 -0.02 0.00 -0.04 -1.26 -1.86 135.00 140.05 2ka3 n PRO 889 Ca -0.01 -1.34 -0.09 0.00 -0.04 0.00 0.00 63.50 62.02 2ka3 n PRO 889 Cb 0.48 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 3.08 -0.85 -2.54 1.53 3.38 -1.96 -3.48 115.31 114.48 2ka3 h LEU 890 Ca 0.00 0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2ka3 h LEU 890 Cb 0.66 0.38 0.08 0.00 0.09 0.00 0.00 40.66 41.88 2ka3 h LEU 890 CO 0.00 -0.31 -0.47 0.00 0.09 0.00 0.00 178.44 177.76 2ka3 n ALA 891 N -2.80 -2.52 -3.79 1.53 0.00 -1.26 -4.81 120.51 106.85 2ka3 n ALA 891 Ca -0.02 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2ka3 n ALA 891 Cb 0.30 -3.35 0.01 0.00 0.00 0.00 0.00 19.45 16.41 2ka3 n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka3 n GLY 892 N -1.55 0.34 3.63 0.00 0.00 -1.26 -3.28 105.19 103.07 2ka3 n GLY 892 Ca -0.05 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 2ka3 n GLY 892 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka3 s ARG 893 N -2.01 4.09 0.29 1.61 3.52 -0.47 -4.94 118.95 121.04 2ka3 s ARG 893 Ca 0.24 0.26 0.10 0.00 -0.13 0.00 0.00 55.73 56.20 2ka3 s ARG 893 Cb -0.01 -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 -0.02 1.52 -0.81 0.00 0.00 175.30 175.72 2ka3 s TYR 894 N 2.04 2.58 -0.30 5.12 -0.85 -1.26 -1.48 117.35 123.20 2ka3 s TYR 894 Ca 0.20 -0.31 -0.09 0.00 -0.52 0.00 0.00 57.07 56.35 2ka3 s TYR 894 Cb -0.15 -1.27 -0.01 0.00 0.38 0.00 0.00 41.96 40.90 2ka3 s TYR 894 CO 0.09 0.58 0.15 -1.17 -1.52 0.00 0.00 175.55 173.68 2ka3 s LEU 895 N -3.67 4.03 -0.09 -3.49 2.96 -0.55 -4.76 118.68 113.10 2ka3 s LEU 895 Ca 0.33 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2ka3 s LEU 895 Cb -0.04 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2ka3 s LEU 895 CO 0.19 -0.17 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.76 2ka3 s LEU 896 N 1.63 3.08 -0.14 -0.68 0.20 -1.26 -2.02 118.68 119.48 2ka3 s LEU 896 Ca 0.05 -0.10 -0.05 0.00 0.69 0.00 0.00 54.13 54.72 2ka3 s LEU 896 Cb -0.17 -1.68 0.07 0.00 -0.43 0.00 0.00 46.19 43.98 2ka3 s LEU 896 CO 0.06 0.30 0.28 -0.44 -0.29 0.00 0.00 176.35 176.26 2ka3 s SER 897 N -0.42 0.32 0.15 3.68 0.01 -1.24 -4.85 113.70 111.35 2ka3 s SER 897 Ca 0.06 0.61 0.05 0.00 1.31 0.00 0.00 55.95 57.98 2ka3 s SER 897 Cb -0.12 0.76 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 2ka3 s SER 897 CO 0.02 -0.24 0.10 0.00 0.41 0.00 0.00 173.24 173.53 2ka3 s ALA 898 N 2.44 3.51 -0.23 1.44 0.00 -1.26 -3.11 121.76 124.54 2ka3 s ALA 898 Ca 0.01 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 2ka3 s ALA 898 Cb -0.12 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2ka3 s ALA 898 CO -0.09 0.55 0.03 0.08 0.00 0.00 0.00 175.76 176.33 2ka3 s VAL 899 N -1.67 4.02 -0.24 0.00 1.01 -1.16 -5.06 120.40 117.30 2ka3 s VAL 899 Ca 0.30 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 2ka3 s VAL 899 Cb -0.10 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 2ka3 s VAL 899 CO 0.22 0.38 0.15 -0.76 0.00 0.00 0.00 175.10 175.09 2ka3 s LEU 900 N 1.47 4.00 0.06 3.92 2.01 -1.26 -4.61 118.68 124.27 2ka3 s LEU 900 Ca 0.05 0.05 -0.29 0.00 0.01 0.00 0.00 54.13 53.96 2ka3 s LEU 900 Cb -0.15 -2.08 -0.05 0.00 0.01 0.00 0.00 46.19 43.93 2ka3 s LEU 900 CO 0.02 0.04 0.92 -0.89 1.01 0.00 0.00 176.35 177.45 2ka3 s THR 901 N 1.19 4.68 0.07 5.49 2.01 -1.26 -5.00 115.64 122.82 2ka3 s THR 901 Ca 0.07 1.97 -0.34 0.00 0.31 0.00 0.00 61.69 63.70 2ka3 s THR 901 Cb -0.14 -4.27 -0.19 0.00 0.01 0.00 0.00 72.50 67.91 2ka3 s THR 901 CO 0.05 0.27 1.62 1.23 -0.69 0.00 0.00 174.62 177.10 2ka3 h GLY 902 N 6.02 -1.01 -6.32 4.40 0.00 -2.00 -3.48 103.07 100.68 2ka3 h GLY 902 Ca -0.42 0.39 -0.39 0.00 0.00 0.00 0.00 47.33 46.91 2ka3 h GLY 902 CO 0.73 -0.37 -0.91 1.42 0.00 0.00 0.00 176.54 177.41 2ka3 n HIS 903 N -5.51 -1.71 0.78 5.60 8.25 -1.26 -4.70 115.22 116.67 2ka3 n HIS 903 Ca -0.14 0.70 0.09 0.00 -0.26 0.00 0.00 57.72 58.12 2ka3 n HIS 903 Cb 0.40 -2.09 0.45 0.00 1.12 0.00 0.00 29.99 29.87 2ka3 n HIS 903 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ka3 n ARG 904 N -1.92 0.13 0.24 -0.41 1.85 -1.26 -3.59 116.66 111.70 2ka3 n ARG 904 Ca -0.24 0.14 0.15 0.00 -1.00 0.00 0.00 57.85 56.91 2ka3 n ARG 904 Cb 0.56 -1.50 0.57 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 -1.89 -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 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 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 -2.89 0.00 0.00 5.26 0.28 -1.24 -5.13 120.64 116.92 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 -0.79 0.00 -3.63 3.44 4.81 -1.26 -4.77 118.16 115.95 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 -0.21 5.34 -0.23 3.15 1.01 -1.26 -3.30 120.40 124.90 2ka3 s VAL 908 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2ka3 s VAL 908 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2ka3 s VAL 908 CO 0.00 0.32 0.03 -0.70 0.00 0.00 0.00 175.10 174.74 2ka3 s GLU 909 N 1.24 3.60 -0.15 2.72 2.12 -0.95 -4.34 118.70 122.94 2ka3 s GLU 909 Ca 0.08 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 2ka3 s GLU 909 Cb -0.14 -3.18 0.04 0.00 0.26 0.00 0.00 34.13 31.11 2ka3 s GLU 909 CO 0.06 -0.12 -0.04 0.00 -0.54 0.00 0.00 175.26 174.62 2ka3 s ALA 910 N 1.36 1.31 -0.36 6.30 0.00 -1.24 -2.55 121.76 126.58 2ka3 s ALA 910 Ca 0.05 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 2ka3 s ALA 910 Cb -0.15 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.94 2ka3 s ALA 910 CO 0.02 -0.72 0.88 0.08 0.00 0.00 0.00 175.76 176.02 2ka3 s VAL 911 N 1.71 4.64 0.39 0.00 1.01 -1.23 -3.09 120.40 123.83 2ka3 s VAL 911 Ca 0.02 1.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.87 2ka3 s VAL 911 Cb -0.15 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 2ka3 s VAL 911 CO -0.07 -0.48 1.40 -0.76 0.00 0.00 0.00 175.10 175.19 2ka3 s LEU 912 N 3.33 4.26 0.07 3.92 1.43 -0.75 -3.69 118.68 127.26 2ka3 s LEU 912 Ca 0.36 2.88 0.08 0.00 -1.03 0.00 0.00 54.13 56.41 2ka3 s LEU 912 Cb -0.12 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2ka3 s LEU 912 CO 0.17 -0.89 -0.17 -0.55 0.23 0.00 0.00 176.35 175.14 2ka3 s SER 913 N -0.42 3.87 0.24 2.29 0.15 -0.83 -3.40 113.70 115.62 2ka3 s SER 913 Ca 0.55 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 56.43 2ka3 s SER 913 Cb -0.43 -0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 63.19 2ka3 s SER 913 CO 0.57 0.22 1.01 0.00 1.20 0.00 0.00 173.24 176.24 2ka3 s ARG 914 N -1.74 4.76 0.00 5.44 1.70 -1.26 -2.67 118.95 125.17 2ka3 s ARG 914 Ca 0.16 1.62 0.00 0.00 -0.47 0.00 0.00 55.73 57.04 2ka3 s ARG 914 Cb -0.11 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.02 2ka3 s ARG 914 CO 0.07 0.37 0.00 0.45 -1.08 0.00 0.00 175.30 175.11 2ka3 n SER 915 N 1.50 0.00 0.00 -2.89 2.88 -1.26 -4.76 113.62 109.09 2ka3 n SER 915 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2ka3 n SER 915 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2ka3 n SER 915 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ka3 n ASN 916 N 0.00 0.78 -1.37 -3.46 3.02 -1.25 -5.16 115.26 107.81 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 0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.56 -3.11 0.00 3.52 6.02 -1.09 -4.94 117.38 117.22 2ka3 n GLN 917 Ca 0.00 2.48 0.00 0.00 -0.01 0.00 0.00 57.00 59.47 2ka3 n GLN 917 Cb 0.05 -3.66 0.00 0.00 1.02 0.00 0.00 30.24 27.66 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 -4.22 3.20 2.97 1.08 0.00 -1.26 -4.83 105.19 102.13 2ka3 n GLY 918 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.96 118.33 103.81 2ka3 n VAL 919 Ca 0.00 0.62 -0.42 0.00 -0.01 0.00 0.00 64.34 64.54 2ka3 n VAL 919 Cb 0.00 -6.78 -0.07 0.00 -0.91 0.00 0.00 33.84 26.08 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 -2.56 3.46 -0.20 3.52 0.00 -1.23 -3.25 121.76 121.49 2ka3 s ALA 920 Ca 0.22 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2ka3 s ALA 920 Cb -0.05 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.75 2ka3 s ALA 920 CO 0.78 -1.34 -0.09 2.89 0.00 0.00 0.00 175.76 178.01 2ka3 n ARG 921 N 5.97 0.81 -3.34 0.00 1.85 -1.24 -4.06 116.66 116.65 2ka3 n ARG 921 Ca -0.02 0.07 -0.45 0.00 -1.00 0.00 0.00 57.85 56.45 2ka3 n ARG 921 Cb 0.49 -1.45 -0.01 0.00 -1.05 0.00 0.00 32.46 30.44 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 5.89 -0.15 8.89 1.01 -1.26 -4.36 120.40 127.98 2ka3 s VAL 922 Ca -0.21 -3.22 -0.15 0.00 0.00 0.00 0.00 61.98 58.40 2ka3 s VAL 922 Cb 0.07 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 2ka3 s VAL 922 CO 0.60 -1.15 0.35 -0.62 0.00 0.00 0.00 175.10 174.27 2ka3 s ASP 923 N 1.48 6.51 -0.14 3.32 2.15 -1.26 -3.58 116.67 125.15 2ka3 s ASP 923 Ca 0.28 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.82 2ka3 s ASP 923 Cb -0.10 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2ka3 s ASP 923 CO -0.08 0.07 0.16 -0.55 -0.17 0.00 0.00 175.17 174.60 2ka3 s SER 924 N 0.49 1.31 -0.98 -0.34 0.15 -1.06 -5.05 113.70 108.22 2ka3 s SER 924 Ca 0.19 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 2ka3 s SER 924 Cb -0.14 0.17 0.24 0.00 -1.71 0.00 0.00 66.02 64.59 2ka3 s SER 924 CO 0.06 -0.29 0.96 -0.83 1.20 0.00 0.00 173.24 174.34 2ka3 s GLY 925 N 2.26 2.90 0.00 9.45 0.00 -1.26 -2.23 107.32 118.44 2ka3 s GLY 925 Ca 0.04 -3.55 0.07 0.00 0.00 0.00 0.00 44.72 41.27 2ka3 s GLY 925 CO -0.08 1.34 0.81 0.61 0.00 0.00 0.00 173.10 175.78 2ka3 n GLY 926 N 3.43 -0.27 0.22 0.20 0.00 -1.21 -5.03 105.19 102.54 2ka3 n GLY 926 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.89 0.00 -5.14 2.61 -1.04 -1.26 -3.64 114.28 104.92 2ka3 n THR 946 Ca 0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.74 2ka3 n THR 946 Cb 0.02 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.37 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 2.24 0.09 -4.42 1.43 -1.26 -4.97 118.68 111.79 2ka3 s LEU 947 Ca 0.00 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2ka3 s LEU 947 Cb 0.00 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2ka3 s LEU 947 CO 0.00 0.22 0.09 -0.83 0.23 0.00 0.00 176.35 176.06 2ka3 s GLY 948 N 0.02 0.44 -0.11 -3.19 0.00 -1.26 -5.01 107.32 98.22 2ka3 s GLY 948 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.64 2ka3 s GLY 948 CO 0.05 -1.11 -0.20 -1.34 0.00 0.00 0.00 173.10 170.51 2ka3 s VAL 949 N -3.93 1.78 0.03 1.40 -7.23 -1.26 -3.54 120.40 107.65 2ka3 s VAL 949 Ca 0.11 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 2ka3 s VAL 949 Cb 0.06 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2ka3 s VAL 949 CO -0.07 0.50 -0.06 0.72 -0.31 0.00 0.00 175.10 175.88 2ka3 s PHE 950 N 0.64 0.48 -0.07 2.82 -0.12 -1.26 -5.04 117.98 115.44 2ka3 s PHE 950 Ca -0.13 -0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 56.26 2ka3 s PHE 950 Cb -0.16 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 2ka3 s PHE 950 CO 0.03 -0.12 -0.07 0.43 -0.05 0.00 0.00 175.22 175.44 2ka3 n SER 951 N 1.62 2.37 -0.08 1.98 7.64 -1.26 -4.43 113.62 121.45 2ka3 n SER 951 Ca -0.23 0.01 -0.17 0.00 1.01 0.00 0.00 58.87 59.50 2ka3 n SER 951 Cb 0.55 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.09 0.00 0.00 -3.43 5.85 -1.93 -3.47 115.31 112.24 2ka3 h LEU 952 Ca -0.16 -0.81 -0.18 0.00 0.84 0.00 0.00 57.88 57.57 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 -0.05 1.18 0.12 2.30 -0.34 0.00 0.00 178.44 181.65 2ka3 n ILE 953 N -4.54 0.00 -2.87 4.05 -5.35 -1.26 -4.28 119.36 105.10 2ka3 n ILE 953 Ca -0.18 -0.50 -0.05 0.00 -0.27 0.00 0.00 62.75 61.75 2ka3 n ILE 953 Cb 0.55 -1.55 -0.00 0.00 -1.74 0.00 0.00 39.64 36.90 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 -1.28 -0.89 7.28 -0.00 -1.26 -4.93 118.68 117.60 2ka3 s LEU 954 Ca 0.29 -1.67 -0.25 0.00 -0.00 0.00 0.00 54.13 52.51 2ka3 s LEU 954 Cb -0.01 1.76 -0.00 0.00 -0.00 0.00 0.00 46.19 47.93 2ka3 s LEU 954 CO 0.20 -0.08 1.70 -2.16 -0.00 0.00 0.00 176.35 176.02 2ka3 s PRO 955 N 0.98 2.98 0.04 1.48 0.04 -1.26 -4.92 135.00 134.33 2ka3 s PRO 955 Ca 0.28 -0.45 0.09 0.00 0.04 0.00 0.00 61.00 60.95 2ka3 s PRO 955 Cb -0.01 -4.99 -0.03 0.00 0.04 0.00 0.00 34.50 29.51 2ka3 s PRO 955 CO -0.06 -2.78 -0.25 -0.51 0.04 0.00 0.00 177.00 173.44 2ka3 s LEU 956 N 7.80 2.15 0.29 -3.56 1.02 -1.26 -4.93 118.68 120.18 2ka3 s LEU 956 Ca 0.58 -0.56 -0.02 0.00 0.02 0.00 0.00 54.13 54.15 2ka3 s LEU 956 Cb -0.05 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.87 2ka3 s LEU 956 CO 0.00 0.25 0.51 -1.10 0.02 0.00 0.00 176.35 176.03 2ka3 s GLN 957 N -1.14 3.55 -0.04 1.70 -0.21 -1.26 -5.01 119.66 117.24 2ka3 s GLN 957 Ca 0.11 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 2ka3 s GLN 957 Cb -0.10 -2.71 -0.05 0.00 1.00 0.00 0.00 33.01 31.16 2ka3 s GLN 957 CO 0.02 0.24 1.40 0.00 -2.12 0.00 0.00 175.29 174.83 2ka3 s ALA 958 N -2.11 3.59 0.00 6.09 0.00 -1.26 -2.91 121.76 125.17 2ka3 s ALA 958 Ca 0.41 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2ka3 s ALA 958 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2ka3 s ALA 958 CO 0.32 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2ka3 n GLY 959 N 3.69 1.40 3.65 0.00 0.00 -0.78 -5.03 105.19 108.12 2ka3 n GLY 959 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2ka3 n GLY 959 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka3 s ASP 960 N -2.58 1.67 -0.08 1.61 1.11 -1.14 -4.80 116.67 112.46 2ka3 s ASP 960 Ca 0.00 0.76 -0.04 0.00 0.18 0.00 0.00 52.55 53.46 2ka3 s ASP 960 Cb 0.00 -1.12 0.04 0.00 1.07 0.00 0.00 42.92 42.91 2ka3 s ASP 960 CO 0.00 -3.67 0.18 0.28 1.18 0.00 0.00 175.17 173.13 2ka3 s THR 961 N -3.08 -0.08 0.18 -1.27 -1.32 -1.26 -4.01 115.64 104.80 2ka3 s THR 961 Ca 0.69 0.19 -0.05 0.00 -1.21 0.00 0.00 61.69 61.32 2ka3 s THR 961 Cb -0.12 -0.29 -0.06 0.00 -1.51 0.00 0.00 72.50 70.53 2ka3 s THR 961 CO 0.56 0.08 0.43 0.68 -2.21 0.00 0.00 174.62 174.16 2ka3 s VAL 962 N 1.35 5.12 -0.02 5.08 -7.23 -1.24 -4.35 120.40 119.10 2ka3 s VAL 962 Ca -0.08 0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2ka3 s VAL 962 Cb -0.11 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.19 2ka3 s VAL 962 CO -0.07 -0.05 0.06 0.00 -0.31 0.00 0.00 175.10 174.73 2ka3 s VAL 964 N 0.19 5.18 -0.15 0.00 1.01 -1.26 -1.81 120.40 123.57 2ka3 s VAL 964 Ca -0.01 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 2ka3 s VAL 964 Cb -0.02 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2ka3 s VAL 964 CO -0.01 0.31 -0.01 -0.62 0.00 0.00 0.00 175.10 174.77 2ka3 s ASP 965 N 0.67 5.01 -0.52 3.32 2.15 -1.18 -4.91 116.67 121.21 2ka3 s ASP 965 Ca 0.26 -0.04 0.05 0.00 0.43 0.00 0.00 52.55 53.25 2ka3 s ASP 965 Cb -0.15 -1.74 0.20 0.00 -0.30 0.00 0.00 42.92 40.92 2ka3 s ASP 965 CO 0.10 0.21 0.48 -0.11 -0.17 0.00 0.00 175.17 175.69 2ka3 n LEU 966 N 3.27 1.28 -3.15 -1.34 7.94 -1.26 -3.71 117.00 120.02 2ka3 n LEU 966 Ca -0.17 -4.84 0.04 0.00 -1.11 0.00 0.00 56.01 49.93 2ka3 n LEU 966 Cb 0.53 0.02 -0.00 0.00 0.53 0.00 0.00 43.42 44.49 2ka3 n LEU 966 CO 0.32 1.91 0.12 -0.69 -1.11 0.00 0.00 177.39 177.94 2ka3 s VAL 967 N -1.01 -0.98 -0.46 1.96 1.01 -1.26 -5.05 120.40 114.61 2ka3 s VAL 967 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2ka3 s VAL 967 Cb 0.06 -0.98 0.24 0.00 0.00 0.00 0.00 36.38 35.71 2ka3 s VAL 967 CO -0.14 0.00 0.77 0.23 0.00 0.00 0.00 175.10 175.95 2ka3 n MET 968 N 5.41 0.75 0.00 2.72 2.81 -1.26 -5.05 117.12 122.50 2ka3 n MET 968 Ca 0.05 -2.21 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 2ka3 n MET 968 Cb 0.54 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.59 3.53 0.03 3.03 0.00 -1.26 -4.24 105.19 107.87 2ka3 n GLY 969 Ca 0.13 -1.63 -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 -0.65 2.69 -3.00 1.61 7.27 -1.26 -4.80 117.38 119.23 2ka3 n GLN 970 Ca 0.00 -0.01 -0.44 0.00 0.07 0.00 0.00 57.00 56.62 2ka3 n GLN 970 Cb 0.00 -1.18 -0.02 0.00 2.41 0.00 0.00 30.24 31.45 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 -4.45 5.33 0.00 1.69 2.96 -1.26 -4.90 118.68 118.05 2ka3 s LEU 971 Ca -0.03 -2.41 0.00 0.00 -0.22 0.00 0.00 54.13 51.47 2ka3 s LEU 971 Cb 0.02 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.35 2ka3 s LEU 971 CO 0.29 -0.90 0.00 0.00 -1.32 0.00 0.00 176.35 174.42 2ka3 n ALA 972 N 5.84 0.00 -2.40 5.97 0.00 -1.26 -5.15 120.51 123.51 2ka3 n ALA 972 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 2ka3 n ALA 972 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 1.93 -0.09 0.00 2.46 -1.26 -5.13 115.29 111.84 2ka3 s HIS 973 Ca 0.00 -0.53 -0.16 0.00 0.47 0.00 0.00 55.06 54.84 2ka3 s HIS 973 Cb 0.00 -0.92 -0.05 0.00 -0.13 0.00 0.00 32.58 31.48 2ka3 s HIS 973 CO 0.00 0.45 0.41 0.45 -2.47 0.00 0.00 174.74 173.57 2ka3 s SER 974 N -3.40 6.66 -0.02 9.88 0.15 -1.26 -5.06 113.70 120.65 2ka3 s SER 974 Ca 0.26 0.78 -0.28 0.00 0.70 0.00 0.00 55.95 57.41 2ka3 s SER 974 Cb -0.01 -2.25 0.06 0.00 -1.71 0.00 0.00 66.02 62.12 2ka3 s SER 974 CO 0.10 0.13 0.62 -0.70 1.20 0.00 0.00 173.24 174.59 2ka3 s GLU 975 N 0.05 1.04 -0.19 5.44 -6.30 -1.26 -5.15 118.70 112.33 2ka3 s GLU 975 Ca 0.23 0.10 0.00 0.00 -2.50 0.00 0.00 54.97 52.80 2ka3 s GLU 975 Cb -0.15 0.49 0.05 0.00 0.00 0.00 0.00 34.13 34.51 2ka3 s GLU 975 CO 0.09 -0.34 -0.06 -1.83 0.02 0.00 0.00 175.26 173.14 2ka3 s GLU 976 N -1.56 1.60 0.51 4.30 4.04 -1.26 -5.14 118.70 121.18 2ka3 s GLU 976 Ca -0.10 -0.72 0.08 0.00 0.04 0.00 0.00 54.97 54.27 2ka3 s GLU 976 Cb -0.01 -2.28 0.05 0.00 0.02 0.00 0.00 34.13 31.92 2ka3 s GLU 976 CO 0.06 -0.49 0.69 -1.25 -1.84 0.00 0.00 175.26 172.44 2ka3 s PRO 977 N 1.52 2.54 -0.03 -4.83 0.04 -1.26 -5.12 135.00 127.85 2ka3 s PRO 977 Ca -0.02 -1.37 0.07 0.00 0.04 0.00 0.00 61.00 59.71 2ka3 s PRO 977 Cb -0.17 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 2ka3 s PRO 977 CO -0.07 -0.60 -0.23 -0.51 0.04 0.00 0.00 177.00 175.63 2ka3 s LEU 978 N -4.54 2.24 -0.01 -3.56 1.02 -1.26 -5.05 118.68 107.52 2ka3 s LEU 978 Ca 0.59 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 54.32 2ka3 s LEU 978 Cb -0.08 -1.40 -0.00 0.00 0.02 0.00 0.00 46.19 44.73 2ka3 s LEU 978 CO 0.36 0.32 0.02 0.42 0.02 0.00 0.00 176.35 177.49 2ka3 s THR 979 N -0.58 0.02 -0.11 5.49 -4.23 -1.26 -4.87 115.64 110.09 2ka3 s THR 979 Ca 0.09 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2ka3 s THR 979 Cb -0.11 -0.09 -0.00 0.00 1.34 0.00 0.00 72.50 73.64 2ka3 s THR 979 CO -0.00 -0.09 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.16 2ka3 s ILE 980 N -0.26 2.37 -0.28 2.99 -1.09 -1.26 -4.36 121.20 119.31 2ka3 s ILE 980 Ca -0.03 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 2ka3 s ILE 980 Cb -0.02 -1.94 0.08 0.00 -1.58 0.00 0.00 42.46 38.99 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 0.41 2.66 0.28 3.97 2.19 -1.22 -2.97 117.98 123.29 2ka3 s PHE 981 Ca -0.15 -2.10 0.06 0.00 0.33 0.00 0.00 56.93 55.07 2ka3 s PHE 981 Cb -0.17 -1.96 -0.02 0.00 -1.31 0.00 0.00 43.02 39.55 2ka3 s PHE 981 CO 0.07 -0.84 0.37 -1.54 1.83 0.00 0.00 175.22 175.11 2ka3 s SER 982 N 1.30 6.06 0.00 6.13 1.04 -1.18 -2.07 113.70 124.98 2ka3 s SER 982 Ca 0.01 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2ka3 s SER 982 Cb -0.19 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2ka3 s SER 982 CO -0.10 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2ka3 n GLY 983 N -1.45 -0.26 3.38 7.32 0.00 -0.83 -3.60 105.19 109.74 2ka3 n GLY 983 Ca -0.06 0.80 -0.30 0.00 0.00 0.00 0.00 46.02 46.46 2ka3 n GLY 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka3 s ALA 984 N 0.00 2.35 -0.10 4.61 0.00 -0.86 -2.67 121.76 125.09 2ka3 s ALA 984 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2ka3 s ALA 984 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2ka3 s ALA 984 CO 0.00 0.54 1.23 -1.17 0.00 0.00 0.00 175.76 176.37 2ka3 s LEU 985 N -1.39 4.24 -0.20 0.00 2.96 -1.25 -1.49 118.68 121.55 2ka3 s LEU 985 Ca 0.13 1.78 -0.16 0.00 -0.22 0.00 0.00 54.13 55.65 2ka3 s LEU 985 Cb -0.10 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 2ka3 s LEU 985 CO 0.03 -0.66 -0.31 -0.11 -1.32 0.00 0.00 176.35 173.98 2ka3 n LEU 986 N 5.78 1.93 -3.94 -0.68 7.94 -1.18 -4.92 117.00 121.93 2ka3 n LEU 986 Ca 0.12 0.37 -0.23 0.00 -1.11 0.00 0.00 56.01 55.16 2ka3 n LEU 986 Cb 0.46 -0.78 -0.17 0.00 0.53 0.00 0.00 43.42 43.46 2ka3 n LEU 986 CO 0.56 -0.08 -0.43 -0.47 -1.11 0.00 0.00 177.39 175.86 2ka3 s TYR 987 N -2.73 1.10 -0.15 1.96 5.04 -0.55 -5.04 117.35 116.98 2ka3 s TYR 987 Ca -0.30 -0.39 -0.14 0.00 -2.44 0.00 0.00 57.07 53.80 2ka3 s TYR 987 Cb 0.06 -0.89 -0.05 0.00 0.35 0.00 0.00 41.96 41.43 2ka3 s TYR 987 CO 0.43 -0.27 0.31 0.20 -1.34 0.00 0.00 175.55 174.88 2ka3 s GLY 988 N 0.97 2.23 0.09 8.97 0.00 -1.26 -1.36 107.32 116.97 2ka3 s GLY 988 Ca -0.10 -0.43 -0.31 0.00 0.00 0.00 0.00 44.72 43.89 2ka3 s GLY 988 CO 0.00 0.41 1.41 0.99 0.00 0.00 0.00 173.10 175.91 2ka3 s ASP 989 N 0.35 6.82 -0.97 1.64 1.01 -1.21 -4.96 116.67 119.35 2ka3 s ASP 989 Ca 0.17 2.30 -0.04 0.00 0.71 0.00 0.00 52.55 55.70 2ka3 s ASP 989 Cb -0.13 -2.58 0.24 0.00 1.01 0.00 0.00 42.92 41.46 2ka3 s ASP 989 CO 0.05 -0.68 0.90 -2.16 0.21 0.00 0.00 175.17 173.49 2ka3 s PRO 990 N 1.41 3.59 0.00 8.23 0.04 -1.26 -4.86 135.00 142.16 2ka3 s PRO 990 Ca 0.65 -3.28 0.00 0.00 0.04 0.00 0.00 61.00 58.41 2ka3 s PRO 990 Cb -0.36 -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 2.42 0.00 -3.97 4.56 1.02 -1.26 -4.81 120.64 118.60 2ka3 n GLU 991 Ca 0.22 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.04 2ka3 n GLU 991 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.79 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 -1.98 -4.44 -4.62 4.77 -1.26 -4.99 117.00 104.47 2ka3 n LEU 992 Ca 0.00 -0.82 -0.33 0.00 -0.03 0.00 0.00 56.01 54.83 2ka3 n LEU 992 Cb 0.00 -2.27 -0.13 0.00 -2.33 0.00 0.00 43.42 38.69 2ka3 n LEU 992 CO 0.00 0.33 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.37 2ka3 s GLU 993 N -6.67 3.38 -0.23 3.23 2.02 -1.26 -5.08 118.70 114.08 2ka3 s GLU 993 Ca 0.66 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 55.03 2ka3 s GLU 993 Cb -0.35 -2.71 0.07 0.00 0.10 0.00 0.00 34.13 31.24 2ka3 s GLU 993 CO 0.82 0.29 -0.01 -1.01 0.02 0.00 0.00 175.26 175.37 2ka3 s HIS 994 N 0.19 1.94 0.00 1.61 3.76 -1.26 -5.26 115.29 116.27 2ka3 s HIS 994 Ca -0.05 -1.51 0.00 0.00 -0.15 0.00 0.00 55.06 53.35 2ka3 s HIS 994 Cb -0.15 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.08 2ka3 s HIS 994 CO 0.04 -0.74 0.00 0.00 -0.85 0.00 0.00 174.74 173.19