#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 -0.17 0.52 1.01 -1.26 -5.02 120.40 116.98 2ka3 s VAL 847 Ca 0.00 -0.59 0.22 0.00 0.00 0.00 0.00 61.98 61.60 2ka3 s VAL 847 Cb 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 2ka3 s VAL 847 CO 0.00 0.45 0.85 -0.81 0.00 0.00 0.00 175.10 175.59 2ka3 n PRO 848 N 4.72 0.62 -3.72 2.72 -0.04 -1.26 -5.01 135.00 133.04 2ka3 n PRO 848 Ca -0.17 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.11 2ka3 n PRO 848 Cb 0.50 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.61 -1.41 -5.18 0.54 7.27 -1.26 -4.99 117.38 109.73 2ka3 n GLN 849 Ca -0.03 0.67 -0.32 0.00 0.07 0.00 0.00 57.00 57.39 2ka3 n GLN 849 Cb 0.61 -2.04 -0.16 0.00 2.41 0.00 0.00 30.24 31.06 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 -2.93 2.28 0.10 1.69 1.01 -1.26 -5.03 120.40 116.25 2ka3 s VAL 850 Ca 0.01 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2ka3 s VAL 850 Cb -0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2ka3 s VAL 850 CO 0.83 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.43 2ka3 s ALA 851 N -0.29 0.98 -0.13 5.51 0.00 -1.26 -3.74 121.76 122.83 2ka3 s ALA 851 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 2ka3 s ALA 851 Cb -0.13 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2ka3 s ALA 851 CO 0.03 -0.18 0.34 -0.59 0.00 0.00 0.00 175.76 175.36 2ka3 s PHE 852 N -3.22 -0.39 -0.30 0.00 -0.12 -1.10 -3.51 117.98 109.35 2ka3 s PHE 852 Ca 0.09 0.93 -0.13 0.00 -0.05 0.00 0.00 56.93 57.77 2ka3 s PHE 852 Cb 0.02 0.13 0.17 0.00 -0.63 0.00 0.00 43.02 42.71 2ka3 s PHE 852 CO -0.03 -0.19 0.95 0.45 -0.05 0.00 0.00 175.22 176.35 2ka3 s SER 853 N 0.27 -0.65 0.17 1.98 0.15 -0.20 -1.96 113.70 113.46 2ka3 s SER 853 Ca -0.01 0.77 0.11 0.00 0.70 0.00 0.00 55.95 57.52 2ka3 s SER 853 Cb -0.03 1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 65.93 2ka3 s SER 853 CO -0.00 -0.12 -0.21 0.00 1.20 0.00 0.00 173.24 174.10 2ka3 s ALA 854 N 2.58 2.59 0.06 5.45 0.00 -0.87 -1.87 121.76 129.70 2ka3 s ALA 854 Ca -0.01 -1.55 -0.00 0.00 0.00 0.00 0.00 51.96 50.40 2ka3 s ALA 854 Cb -0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2ka3 s ALA 854 CO -0.17 0.47 -0.04 0.00 0.00 0.00 0.00 175.76 176.02 2ka3 s ALA 855 N -1.51 0.55 -0.05 0.00 0.00 -0.06 -3.47 121.76 117.22 2ka3 s ALA 855 Ca 0.20 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2ka3 s ALA 855 Cb -0.09 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2ka3 s ALA 855 CO 0.10 -0.28 -0.08 -1.17 0.00 0.00 0.00 175.76 174.33 2ka3 s LEU 856 N -2.61 1.49 0.00 0.00 1.98 -1.26 -2.62 118.68 115.64 2ka3 s LEU 856 Ca 0.03 -0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.07 2ka3 s LEU 856 Cb 0.03 -0.60 0.00 0.00 0.66 0.00 0.00 46.19 46.28 2ka3 s LEU 856 CO -0.07 -0.01 0.20 -1.54 -1.89 0.00 0.00 176.35 173.04 2ka3 n SER 857 N 3.90 0.00 -0.34 3.68 3.41 -1.26 -4.87 113.62 118.14 2ka3 n SER 857 Ca -0.24 -0.96 -0.04 0.00 -0.26 0.00 0.00 58.87 57.37 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 -0.17 0.04 1.04 -0.00 -1.26 -4.95 117.00 111.71 2ka3 n LEU 858 Ca 0.00 0.08 -0.22 0.00 -0.00 0.00 0.00 56.01 55.87 2ka3 n LEU 858 Cb 0.48 -0.07 -0.14 0.00 -0.00 0.00 0.00 43.42 43.68 2ka3 n LEU 858 CO 0.00 -0.29 -0.26 1.55 -0.00 0.00 0.00 177.39 178.39 2ka3 h PRO 859 N 0.05 0.31 -2.73 1.47 0.13 -2.06 -3.49 132.00 125.69 2ka3 h PRO 859 Ca -0.03 -0.53 0.09 0.00 -0.87 0.00 0.00 66.00 64.66 2ka3 h PRO 859 Cb 0.11 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 2ka3 h PRO 859 CO 0.04 1.26 0.42 -0.98 -0.23 0.00 0.00 178.00 178.51 2ka3 s ARG 860 N -2.49 1.69 0.00 0.86 1.70 -1.26 -5.14 118.95 114.32 2ka3 s ARG 860 Ca -0.16 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 2ka3 s ARG 860 Cb 0.03 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2ka3 s ARG 860 CO 0.82 -0.79 0.00 0.43 -1.08 0.00 0.00 175.30 174.68 2ka3 n SER 861 N -1.12 0.00 -4.17 -2.89 7.64 -1.26 -4.97 113.62 106.85 2ka3 n SER 861 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.60 2ka3 n SER 861 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 2ka3 n SER 861 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ka3 s GLU 862 N 0.00 1.15 0.03 1.43 2.12 -1.26 -5.06 118.70 117.11 2ka3 s GLU 862 Ca 0.00 -0.77 0.26 0.00 0.36 0.00 0.00 54.97 54.82 2ka3 s GLU 862 Cb 0.00 -1.18 1.07 0.00 0.26 0.00 0.00 34.13 34.28 2ka3 s GLU 862 CO 0.00 0.30 1.82 -0.35 -0.54 0.00 0.00 175.26 176.49 2ka3 n PRO 863 N 2.06 0.03 0.00 4.30 -0.04 -1.26 -4.88 135.00 135.22 2ka3 n PRO 863 Ca -0.17 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2ka3 n PRO 863 Cb 0.54 -1.54 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 1.15 3.90 3.76 0.55 0.00 -1.26 -5.15 105.19 108.14 2ka3 n GLY 864 Ca 0.06 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 0.06 2.36 -0.11 2.61 2.01 -1.26 -4.98 115.64 116.33 2ka3 s THR 865 Ca 0.00 0.29 -0.22 0.00 0.31 0.00 0.00 61.69 62.07 2ka3 s THR 865 Cb 0.00 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2ka3 s THR 865 CO 0.00 0.02 0.64 -0.69 -0.69 0.00 0.00 174.62 173.90 2ka3 s VAL 866 N -1.32 5.06 0.00 3.82 1.01 -1.26 -5.07 120.40 122.64 2ka3 s VAL 866 Ca 0.65 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2ka3 s VAL 866 Cb -0.39 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2ka3 s VAL 866 CO 0.47 0.23 0.00 -0.81 0.00 0.00 0.00 175.10 174.99 2ka3 n PRO 867 N 4.10 3.34 -3.74 2.72 -0.04 -1.26 -4.58 135.00 135.54 2ka3 n PRO 867 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 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 2.04 -0.37 -0.12 0.54 -0.71 -1.26 -4.88 117.98 113.21 2ka3 s PHE 868 Ca 0.00 0.87 0.04 0.00 -1.04 0.00 0.00 56.93 56.79 2ka3 s PHE 868 Cb 0.00 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 2ka3 s PHE 868 CO 0.00 -0.22 0.14 -0.40 -1.34 0.00 0.00 175.22 173.39 2ka3 n ASP 869 N 3.74 1.37 -4.31 1.98 5.68 -1.23 -4.84 116.55 118.93 2ka3 n ASP 869 Ca -0.20 -0.41 -0.45 0.00 -0.50 0.00 0.00 54.79 53.23 2ka3 n ASP 869 Cb 0.55 1.05 -0.02 0.00 -1.14 0.00 0.00 41.12 41.57 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 -1.63 3.77 -0.69 0.11 1.81 -1.08 -4.99 118.95 116.25 2ka3 s ARG 870 Ca 0.01 -2.81 -0.26 0.00 -1.72 0.00 0.00 55.73 50.95 2ka3 s ARG 870 Cb 0.03 -4.42 -0.03 0.00 -0.45 0.00 0.00 34.95 30.08 2ka3 s ARG 870 CO 0.16 -1.26 1.89 0.08 -0.68 0.00 0.00 175.30 175.48 2ka3 s VAL 871 N -0.49 3.38 -0.07 3.52 1.01 -1.26 -0.88 120.40 125.60 2ka3 s VAL 871 Ca 0.23 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 2ka3 s VAL 871 Cb -0.10 -3.96 -0.29 0.00 0.00 0.00 0.00 36.38 32.03 2ka3 s VAL 871 CO -0.08 -0.92 0.58 -0.07 0.00 0.00 0.00 175.10 174.60 2ka3 h LEU 872 N 16.83 0.51 -6.93 3.92 3.38 -1.74 -3.46 115.31 127.82 2ka3 h LEU 872 Ca -0.16 -0.88 0.09 0.00 0.09 0.00 0.00 57.88 57.01 2ka3 h LEU 872 Cb 1.12 -0.17 -0.24 0.00 0.09 0.00 0.00 40.66 41.47 2ka3 h LEU 872 CO 1.22 1.77 0.18 -0.22 0.09 0.00 0.00 178.44 181.47 2ka3 s LEU 873 N -7.15 -0.74 0.00 1.67 2.96 -1.24 -5.02 118.68 109.16 2ka3 s LEU 873 Ca -0.17 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 2ka3 s LEU 873 Cb 0.06 2.01 0.00 0.00 0.50 0.00 0.00 46.19 48.76 2ka3 s LEU 873 CO 0.82 -0.17 0.00 -3.20 -1.32 0.00 0.00 176.35 172.48 2ka3 n ASN 874 N 4.31 0.00 -0.23 3.68 2.85 -1.24 -1.03 115.26 123.60 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 0.06 0.00 1.24 0.00 0.00 39.78 41.64 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 0.73 0.40 1.20 2.03 -1.96 -3.20 116.42 115.61 2ka3 h ASP 875 Ca 0.00 -0.01 -0.24 0.00 -0.73 0.00 0.00 57.03 56.05 2ka3 h ASP 875 Cb 0.00 -0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 38.28 2ka3 h ASP 875 CO 0.00 0.52 -1.80 0.61 -1.03 0.00 0.00 179.24 177.53 2ka3 n GLY 876 N -1.28 -1.07 0.00 7.15 0.00 -1.26 -5.00 105.19 103.73 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 1.52 2.95 5.02 -0.02 0.00 -1.21 -5.01 105.19 108.45 2ka3 n GLY 877 Ca -0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.61 117.16 113.46 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 3.23 -0.32 -0.72 1.13 -1.26 -4.15 117.35 115.26 2ka3 s TYR 879 Ca 0.00 0.22 -0.27 0.00 -1.41 0.00 0.00 57.07 55.61 2ka3 s TYR 879 Cb 0.00 -2.54 0.01 0.00 -1.10 0.00 0.00 41.96 38.33 2ka3 s TYR 879 CO 0.00 -0.26 0.96 0.34 -2.51 0.00 0.00 175.55 174.08 2ka3 s ASP 880 N 1.70 6.81 0.00 -0.18 -1.08 -1.08 -4.91 116.67 117.93 2ka3 s ASP 880 Ca 0.12 0.86 0.21 0.00 -0.52 0.00 0.00 52.55 53.22 2ka3 s ASP 880 Cb -0.16 -2.49 0.55 0.00 -1.46 0.00 0.00 42.92 39.37 2ka3 s ASP 880 CO 0.11 -0.79 1.46 -0.81 0.52 0.00 0.00 175.17 175.65 2ka3 n PRO 881 N 6.63 2.15 0.05 4.34 -0.04 -1.26 -0.28 135.00 146.60 2ka3 n PRO 881 Ca 0.09 -1.75 -0.20 0.00 -0.04 0.00 0.00 63.50 61.60 2ka3 n PRO 881 Cb 0.48 -1.45 -0.15 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 3.40 0.31 0.00 0.54 5.08 -1.92 -3.33 114.58 118.66 2ka3 h GLU 882 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2ka3 h GLU 882 Cb 0.75 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2ka3 h GLU 882 CO 0.00 1.25 -0.65 0.25 -1.00 0.00 0.00 179.01 178.86 2ka3 n THR 883 N -4.11 0.00 -1.63 1.13 -2.24 -1.25 -4.91 114.28 101.27 2ka3 n THR 883 Ca -0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2ka3 n THR 883 Cb 0.83 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 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 0.68 3.32 3.38 0.00 0.62 -4.54 105.19 109.98 2ka3 n GLY 884 Ca 0.02 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.01 5.02 -0.38 1.61 1.01 -0.65 -4.27 120.40 120.73 2ka3 s VAL 885 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 2ka3 s VAL 885 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2ka3 s VAL 885 CO 0.00 -0.72 0.25 0.12 0.00 0.00 0.00 175.10 174.75 2ka3 s PHE 886 N 1.57 3.23 -0.44 5.22 2.19 -1.24 -2.64 117.98 125.88 2ka3 s PHE 886 Ca 0.04 -0.60 -0.15 0.00 0.33 0.00 0.00 56.93 56.55 2ka3 s PHE 886 Cb -0.27 -2.50 0.05 0.00 -1.31 0.00 0.00 43.02 38.98 2ka3 s PHE 886 CO 0.04 -0.54 0.34 0.99 1.83 0.00 0.00 175.22 177.88 2ka3 s THR 887 N 1.65 5.23 -0.42 0.12 2.01 -1.26 -3.37 115.64 119.60 2ka3 s THR 887 Ca 0.04 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 2ka3 s THR 887 Cb -0.18 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.33 2ka3 s THR 887 CO 0.09 -0.44 0.70 0.00 -0.69 0.00 0.00 174.62 174.28 2ka3 s ALA 888 N 1.66 3.36 -2.46 7.40 0.00 -1.25 -4.74 121.76 125.73 2ka3 s ALA 888 Ca 0.04 -1.01 0.28 0.00 0.00 0.00 0.00 51.96 51.27 2ka3 s ALA 888 Cb -0.22 -3.33 1.07 0.00 0.00 0.00 0.00 23.12 20.64 2ka3 s ALA 888 CO 0.08 -1.70 1.75 -0.35 0.00 0.00 0.00 175.76 175.55 2ka3 n PRO 889 N 6.37 1.64 -0.08 0.00 -0.04 -1.26 -2.08 135.00 139.55 2ka3 n PRO 889 Ca 0.00 -0.93 -0.10 0.00 -0.04 0.00 0.00 63.50 62.43 2ka3 n PRO 889 Cb 0.48 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2ka3 n PRO 889 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ka3 h LEU 890 N 2.23 -1.32 -2.58 1.53 6.46 -1.96 -3.48 115.31 116.20 2ka3 h LEU 890 Ca 0.00 0.20 -0.20 0.00 -0.12 0.00 0.00 57.88 57.76 2ka3 h LEU 890 Cb 0.47 0.57 0.11 0.00 -0.73 0.00 0.00 40.66 41.08 2ka3 h LEU 890 CO 0.00 -0.38 -0.58 0.00 -0.62 0.00 0.00 178.44 176.86 2ka3 n ALA 891 N -3.00 -2.52 -3.00 1.25 0.00 -1.26 -4.80 120.51 107.18 2ka3 n ALA 891 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2ka3 n ALA 891 Cb 0.35 -3.88 0.00 0.00 0.00 0.00 0.00 19.45 15.93 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 -1.50 1.14 3.63 0.00 0.00 -1.26 -3.11 105.19 104.10 2ka3 n GLY 892 Ca -0.06 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.00 4.12 0.06 1.61 3.52 -0.84 -4.94 118.95 121.47 2ka3 s ARG 893 Ca 0.00 0.46 0.08 0.00 -0.13 0.00 0.00 55.73 56.14 2ka3 s ARG 893 Cb 0.00 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2ka3 s ARG 893 CO 0.00 -0.33 -0.20 -0.47 -0.81 0.00 0.00 175.30 173.49 2ka3 s TYR 894 N 2.22 2.49 -0.26 5.12 5.04 -1.26 -1.90 117.35 128.79 2ka3 s TYR 894 Ca 0.24 -0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2ka3 s TYR 894 Cb -0.16 -1.41 0.02 0.00 0.35 0.00 0.00 41.96 40.76 2ka3 s TYR 894 CO 0.09 0.25 -0.01 -1.17 -1.34 0.00 0.00 175.55 173.38 2ka3 s LEU 895 N -1.55 3.41 -0.06 6.97 2.96 -1.15 -4.73 118.68 124.53 2ka3 s LEU 895 Ca 0.14 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2ka3 s LEU 895 Cb -0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2ka3 s LEU 895 CO 0.05 -0.14 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.62 2ka3 s LEU 896 N 1.40 2.98 -0.09 -0.68 0.20 -1.26 -2.40 118.68 118.82 2ka3 s LEU 896 Ca 0.02 -0.10 -0.03 0.00 0.69 0.00 0.00 54.13 54.70 2ka3 s LEU 896 Cb -0.17 -1.63 0.05 0.00 -0.43 0.00 0.00 46.19 44.01 2ka3 s LEU 896 CO -0.02 0.35 0.16 -0.44 -0.29 0.00 0.00 176.35 176.11 2ka3 s SER 897 N -0.76 0.84 0.16 3.68 0.01 -1.25 -4.92 113.70 111.47 2ka3 s SER 897 Ca 0.12 0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2ka3 s SER 897 Cb -0.11 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 2ka3 s SER 897 CO 0.01 -0.25 0.08 0.00 0.41 0.00 0.00 173.24 173.49 2ka3 s ALA 898 N 2.29 3.43 -0.23 1.44 0.00 -1.26 -3.32 121.76 124.10 2ka3 s ALA 898 Ca 0.03 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 2ka3 s ALA 898 Cb -0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2ka3 s ALA 898 CO -0.06 0.51 0.03 0.08 0.00 0.00 0.00 175.76 176.32 2ka3 s VAL 899 N -1.71 4.07 -0.25 0.00 1.01 -1.18 -5.06 120.40 117.28 2ka3 s VAL 899 Ca 0.29 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2ka3 s VAL 899 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2ka3 s VAL 899 CO 0.21 0.39 0.11 -0.76 0.00 0.00 0.00 175.10 175.05 2ka3 s LEU 900 N 1.34 3.73 0.03 3.92 2.01 -1.26 -4.61 118.68 123.84 2ka3 s LEU 900 Ca 0.05 -0.07 -0.29 0.00 0.01 0.00 0.00 54.13 53.83 2ka3 s LEU 900 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2ka3 s LEU 900 CO 0.02 0.00 0.91 -0.89 1.01 0.00 0.00 176.35 177.40 2ka3 s THR 901 N 1.41 4.76 0.08 5.49 2.01 -1.26 -5.00 115.64 123.13 2ka3 s THR 901 Ca 0.06 1.93 -0.34 0.00 0.31 0.00 0.00 61.69 63.66 2ka3 s THR 901 Cb -0.15 -4.26 -0.16 0.00 0.01 0.00 0.00 72.50 67.94 2ka3 s THR 901 CO 0.06 0.25 1.59 1.23 -0.69 0.00 0.00 174.62 177.06 2ka3 h GLY 902 N 6.26 -1.05 -6.51 4.40 0.00 -2.00 -3.48 103.07 100.70 2ka3 h GLY 902 Ca -0.42 0.47 -0.43 0.00 0.00 0.00 0.00 47.33 46.95 2ka3 h GLY 902 CO 0.73 -0.36 -0.97 1.42 0.00 0.00 0.00 176.54 177.37 2ka3 n HIS 903 N -5.52 -1.76 0.75 5.60 8.25 -1.26 -4.71 115.22 116.57 2ka3 n HIS 903 Ca -0.12 0.72 0.09 0.00 -0.26 0.00 0.00 57.72 58.16 2ka3 n HIS 903 Cb 0.42 -2.32 0.44 0.00 1.12 0.00 0.00 29.99 29.64 2ka3 n HIS 903 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2ka3 n ARG 904 N -2.26 0.08 0.15 -0.41 1.85 -1.26 -3.64 116.66 111.17 2ka3 n ARG 904 Ca -0.28 0.15 0.13 0.00 -1.00 0.00 0.00 57.85 56.85 2ka3 n ARG 904 Cb 0.60 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 30.99 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 -3.48 115.15 115.42 2ka3 h HIS 905 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2ka3 h HIS 905 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2ka3 h HIS 905 CO 0.00 0.00 0.00 -0.85 -1.30 0.00 0.00 177.93 175.78 2ka3 n GLU 906 N -2.42 0.00 0.00 5.26 0.28 -1.24 -5.12 120.64 117.40 2ka3 n GLU 906 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2ka3 n GLU 906 Cb 0.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.18 2ka3 n GLU 906 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2ka3 n LYS 907 N -1.06 0.00 -3.64 3.44 4.81 -1.26 -4.83 118.16 115.62 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 -0.09 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 -0.11 5.35 -0.19 3.15 1.01 -1.26 -3.37 120.40 124.98 2ka3 s VAL 908 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2ka3 s VAL 908 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2ka3 s VAL 908 CO 0.00 0.36 -0.07 -0.70 0.00 0.00 0.00 175.10 174.69 2ka3 s GLU 909 N 0.89 3.39 -0.14 2.72 2.56 -1.11 -4.39 118.70 122.62 2ka3 s GLU 909 Ca 0.10 -0.64 -0.01 0.00 0.00 0.00 0.00 54.97 54.41 2ka3 s GLU 909 Cb -0.13 -2.90 0.04 0.00 2.00 0.00 0.00 34.13 33.14 2ka3 s GLU 909 CO 0.03 -0.07 -0.01 0.00 -0.56 0.00 0.00 175.26 174.65 2ka3 s ALA 910 N 1.12 1.10 -0.38 6.30 0.00 -1.25 -3.14 121.76 125.50 2ka3 s ALA 910 Ca 0.01 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 2ka3 s ALA 910 Cb -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.98 2ka3 s ALA 910 CO -0.01 -0.76 0.77 0.08 0.00 0.00 0.00 175.76 175.84 2ka3 s VAL 911 N 1.80 4.72 0.61 0.00 1.01 -1.25 -3.07 120.40 124.23 2ka3 s VAL 911 Ca 0.02 0.75 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 2ka3 s VAL 911 Cb -0.15 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2ka3 s VAL 911 CO -0.07 -0.49 1.27 -0.76 0.00 0.00 0.00 175.10 175.05 2ka3 s LEU 912 N 3.12 3.66 0.11 3.92 1.43 -0.90 -3.78 118.68 126.23 2ka3 s LEU 912 Ca 0.30 2.56 0.08 0.00 -1.03 0.00 0.00 54.13 56.05 2ka3 s LEU 912 Cb -0.13 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 2ka3 s LEU 912 CO 0.18 -1.78 -0.15 -0.94 0.23 0.00 0.00 176.35 173.89 2ka3 s SER 913 N -1.39 4.06 0.20 2.29 1.04 -0.83 -3.97 113.70 115.09 2ka3 s SER 913 Ca 0.79 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 2ka3 s SER 913 Cb -0.35 -0.65 -0.08 0.00 0.10 0.00 0.00 66.02 65.03 2ka3 s SER 913 CO 0.39 0.19 0.92 0.00 0.98 0.00 0.00 173.24 175.71 2ka3 s ARG 914 N -2.10 4.78 0.00 4.02 3.03 -1.26 -2.71 118.95 124.70 2ka3 s ARG 914 Ca 0.19 1.42 0.00 0.00 2.03 0.00 0.00 55.73 59.37 2ka3 s ARG 914 Cb -0.11 -3.30 0.00 0.00 -1.03 0.00 0.00 34.95 30.51 2ka3 s ARG 914 CO 0.11 0.46 0.00 0.45 -1.13 0.00 0.00 175.30 175.19 2ka3 n SER 915 N 1.81 0.00 0.00 -2.89 2.88 -1.26 -4.75 113.62 109.41 2ka3 n SER 915 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2ka3 n SER 915 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2ka3 n SER 915 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ka3 n ASN 916 N 0.00 0.00 -1.38 -3.46 3.02 -1.26 -5.16 115.26 107.02 2ka3 n ASN 916 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2ka3 n ASN 916 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.29 -2.88 0.00 3.52 6.02 -1.10 -4.94 117.38 117.71 2ka3 n GLN 917 Ca 0.00 2.16 0.00 0.00 -0.01 0.00 0.00 57.00 59.15 2ka3 n GLN 917 Cb 0.00 -3.49 0.00 0.00 1.02 0.00 0.00 30.24 27.77 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 -4.12 3.44 3.09 1.08 0.00 -1.26 -4.74 105.19 102.68 2ka3 n GLY 918 Ca -0.04 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -8.74 -3.16 1.61 0.31 -1.26 -1.96 118.33 105.13 2ka3 n VAL 919 Ca 0.00 0.55 -0.41 0.00 -0.01 0.00 0.00 64.34 64.46 2ka3 n VAL 919 Cb 0.00 -6.07 -0.07 0.00 -0.91 0.00 0.00 33.84 26.79 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 -2.33 3.48 -0.20 3.52 0.00 -1.25 -3.57 121.76 121.41 2ka3 s ALA 920 Ca 0.26 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.45 2ka3 s ALA 920 Cb -0.05 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 19.79 2ka3 s ALA 920 CO 0.80 -1.23 -0.07 2.89 0.00 0.00 0.00 175.76 178.14 2ka3 n ARG 921 N 5.91 0.85 -3.31 0.00 1.85 -1.25 -4.25 116.66 116.46 2ka3 n ARG 921 Ca -0.02 0.06 -0.46 0.00 -1.00 0.00 0.00 57.85 56.43 2ka3 n ARG 921 Cb 0.49 -1.44 -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 5.70 -0.15 8.89 1.01 -1.26 -4.53 120.40 127.63 2ka3 s VAL 922 Ca -0.20 -2.76 -0.14 0.00 0.00 0.00 0.00 61.98 58.88 2ka3 s VAL 922 Cb 0.06 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 2ka3 s VAL 922 CO 0.60 -1.11 0.30 -0.62 0.00 0.00 0.00 175.10 174.27 2ka3 s ASP 923 N 1.95 6.46 -0.09 3.32 2.15 -1.26 -3.83 116.67 125.36 2ka3 s ASP 923 Ca 0.23 0.54 -0.03 0.00 0.43 0.00 0.00 52.55 53.72 2ka3 s ASP 923 Cb -0.10 -2.19 0.05 0.00 -0.30 0.00 0.00 42.92 40.38 2ka3 s ASP 923 CO -0.08 0.10 0.11 -0.55 -0.17 0.00 0.00 175.17 174.58 2ka3 s SER 924 N 0.41 1.25 -0.99 -0.34 0.15 -1.19 -5.05 113.70 107.94 2ka3 s SER 924 Ca 0.17 0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.71 2ka3 s SER 924 Cb -0.13 0.03 0.23 0.00 -1.71 0.00 0.00 66.02 64.44 2ka3 s SER 924 CO 0.04 -0.27 1.00 -0.83 1.20 0.00 0.00 173.24 174.38 2ka3 s GLY 925 N 2.22 2.81 0.00 9.45 0.00 -1.26 -2.75 107.32 117.79 2ka3 s GLY 925 Ca 0.04 -3.49 0.08 0.00 0.00 0.00 0.00 44.72 41.34 2ka3 s GLY 925 CO -0.06 1.42 1.15 0.61 0.00 0.00 0.00 173.10 176.22 2ka3 n GLY 926 N 3.59 -0.61 0.88 0.20 0.00 -1.22 -5.04 105.19 103.00 2ka3 n GLY 926 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.36 0.00 -4.93 2.61 -1.04 -1.26 -4.06 114.28 104.24 2ka3 n THR 946 Ca 0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.71 2ka3 n THR 946 Cb 0.07 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.43 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 2.57 0.12 -4.42 1.43 -1.26 -5.02 118.68 112.10 2ka3 s LEU 947 Ca 0.00 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2ka3 s LEU 947 Cb 0.00 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2ka3 s LEU 947 CO 0.00 0.24 0.04 -0.83 0.23 0.00 0.00 176.35 176.03 2ka3 s GLY 948 N -0.08 0.95 -0.08 -3.19 0.00 -1.26 -5.02 107.32 98.64 2ka3 s GLY 948 Ca -0.03 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.29 2ka3 s GLY 948 CO 0.04 -1.37 -0.25 -1.34 0.00 0.00 0.00 173.10 170.19 2ka3 s VAL 949 N -4.01 2.05 0.04 1.40 -7.23 -1.26 -3.89 120.40 107.50 2ka3 s VAL 949 Ca 0.22 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2ka3 s VAL 949 Cb 0.07 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2ka3 s VAL 949 CO 0.01 0.56 -0.08 0.72 -0.31 0.00 0.00 175.10 176.00 2ka3 s PHE 950 N 0.06 0.67 0.00 2.82 -0.12 -1.26 -5.06 117.98 115.09 2ka3 s PHE 950 Ca -0.10 -0.44 0.00 0.00 -0.05 0.00 0.00 56.93 56.34 2ka3 s PHE 950 Cb -0.16 -0.41 0.00 0.00 -0.63 0.00 0.00 43.02 41.83 2ka3 s PHE 950 CO 0.06 -0.07 0.00 0.43 -0.05 0.00 0.00 175.22 175.59 2ka3 n SER 951 N 1.67 4.05 -0.10 1.98 7.64 -1.26 -4.44 113.62 123.17 2ka3 n SER 951 Ca -0.21 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.48 2ka3 n SER 951 Cb 0.55 0.24 -0.09 0.00 -1.01 0.00 0.00 64.21 63.90 2ka3 n SER 951 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2ka3 n LEU 952 N -2.09 1.86 0.00 -3.43 7.94 -1.26 -4.80 117.00 115.21 2ka3 n LEU 952 Ca 0.00 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 2ka3 n LEU 952 Cb 0.45 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.47 2ka3 n LEU 952 CO 0.00 0.14 0.00 2.30 -1.11 0.00 0.00 177.39 178.72 2ka3 n ILE 953 N -4.45 0.00 -3.06 1.96 -5.35 -1.26 -4.63 119.36 102.57 2ka3 n ILE 953 Ca -0.29 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.18 2ka3 n ILE 953 Cb 0.61 -1.67 -0.00 0.00 -1.74 0.00 0.00 39.64 36.84 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 -1.46 -0.93 7.28 -0.00 -1.26 -4.97 118.68 117.35 2ka3 s LEU 954 Ca 0.00 -1.15 -0.24 0.00 -0.00 0.00 0.00 54.13 52.74 2ka3 s LEU 954 Cb 0.00 1.90 -0.00 0.00 -0.00 0.00 0.00 46.19 48.09 2ka3 s LEU 954 CO 0.00 -0.13 1.72 -2.16 -0.00 0.00 0.00 176.35 175.78 2ka3 s PRO 955 N 1.48 3.00 0.06 1.48 0.04 -1.26 -4.95 135.00 134.85 2ka3 s PRO 955 Ca 0.21 -0.58 0.08 0.00 0.04 0.00 0.00 61.00 60.75 2ka3 s PRO 955 Cb -0.03 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.37 2ka3 s PRO 955 CO -0.06 -2.82 -0.23 -0.51 0.04 0.00 0.00 177.00 173.41 2ka3 s LEU 956 N 7.79 2.19 0.37 -3.56 1.02 -1.26 -4.94 118.68 120.29 2ka3 s LEU 956 Ca 0.59 -0.58 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 2ka3 s LEU 956 Cb -0.04 -1.11 -0.04 0.00 0.02 0.00 0.00 46.19 45.02 2ka3 s LEU 956 CO -0.03 0.19 0.61 -1.10 0.02 0.00 0.00 176.35 176.04 2ka3 s GLN 957 N -1.34 3.53 -0.07 1.70 -0.21 -1.26 -5.03 119.66 116.98 2ka3 s GLN 957 Ca 0.10 -0.13 -0.30 0.00 0.02 0.00 0.00 55.36 55.05 2ka3 s GLN 957 Cb -0.09 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2ka3 s GLN 957 CO 0.02 0.07 1.35 0.00 -2.12 0.00 0.00 175.29 174.62 2ka3 s ALA 958 N -2.38 3.59 0.00 6.09 0.00 -1.26 -3.25 121.76 124.55 2ka3 s ALA 958 Ca 0.43 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2ka3 s ALA 958 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2ka3 s ALA 958 CO 0.37 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2ka3 n GLY 959 N 3.63 1.42 3.67 0.00 0.00 -0.88 -5.04 105.19 107.99 2ka3 n GLY 959 Ca 0.13 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 -2.30 1.72 -0.05 1.61 1.11 -1.20 -4.78 116.67 112.78 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 -1.03 0.04 0.00 1.07 0.00 0.00 42.92 42.99 2ka3 s ASP 960 CO 0.00 -3.64 0.11 -0.89 1.18 0.00 0.00 175.17 171.93 2ka3 s THR 961 N -3.14 -0.09 0.13 -1.27 2.01 -1.26 -3.91 115.64 108.12 2ka3 s THR 961 Ca 0.70 0.24 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 2ka3 s THR 961 Cb -0.11 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 2ka3 s THR 961 CO 0.56 0.10 0.35 0.68 -0.69 0.00 0.00 174.62 175.62 2ka3 s VAL 962 N 1.42 5.20 -0.01 3.82 -7.23 -1.22 -4.42 120.40 117.97 2ka3 s VAL 962 Ca -0.06 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2ka3 s VAL 962 Cb -0.12 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2ka3 s VAL 962 CO -0.05 0.05 -0.01 0.00 -0.31 0.00 0.00 175.10 174.78 2ka3 s VAL 964 N 0.23 5.19 -0.15 0.00 1.01 -1.26 -2.12 120.40 123.29 2ka3 s VAL 964 Ca -0.02 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 2ka3 s VAL 964 Cb -0.04 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2ka3 s VAL 964 CO -0.01 0.31 -0.02 -0.62 0.00 0.00 0.00 175.10 174.77 2ka3 s ASP 965 N 0.67 4.97 -0.53 3.32 -1.08 -1.17 -4.93 116.67 117.92 2ka3 s ASP 965 Ca 0.25 -0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.27 2ka3 s ASP 965 Cb -0.15 -1.78 0.19 0.00 -1.46 0.00 0.00 42.92 39.73 2ka3 s ASP 965 CO 0.10 0.19 0.47 -0.11 0.52 0.00 0.00 175.17 176.34 2ka3 n LEU 966 N 3.39 1.29 -3.15 -1.34 0.00 -1.26 -3.93 117.00 111.99 2ka3 n LEU 966 Ca -0.17 -4.83 0.04 0.00 0.00 0.00 0.00 56.01 51.05 2ka3 n LEU 966 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 43.42 43.92 2ka3 n LEU 966 CO 0.33 1.88 0.11 -0.69 0.00 0.00 0.00 177.39 179.03 2ka3 s VAL 967 N -0.94 -0.99 -0.45 1.96 1.01 -1.26 -5.06 120.40 114.66 2ka3 s VAL 967 Ca 0.31 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2ka3 s VAL 967 Cb 0.05 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 35.66 2ka3 s VAL 967 CO -0.15 -0.00 0.69 0.23 0.00 0.00 0.00 175.10 175.86 2ka3 n MET 968 N 5.42 0.66 0.00 2.72 2.81 -1.26 -5.06 117.12 122.41 2ka3 n MET 968 Ca 0.03 -2.43 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 2ka3 n MET 968 Cb 0.53 -1.40 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 1.86 3.34 0.02 3.03 0.00 -1.26 -4.26 105.19 107.93 2ka3 n GLY 969 Ca 0.16 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.66 2.51 -3.09 1.61 7.27 -1.26 -4.80 117.38 118.97 2ka3 n GLN 970 Ca 0.00 -0.01 -0.45 0.00 0.07 0.00 0.00 57.00 56.61 2ka3 n GLN 970 Cb 0.00 -1.12 -0.01 0.00 2.41 0.00 0.00 30.24 31.52 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 -4.11 5.66 0.00 1.69 2.96 -1.26 -4.91 118.68 118.71 2ka3 s LEU 971 Ca -0.02 -2.64 0.00 0.00 -0.22 0.00 0.00 54.13 51.25 2ka3 s LEU 971 Cb 0.02 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.38 2ka3 s LEU 971 CO 0.20 -0.76 0.00 0.00 -1.32 0.00 0.00 176.35 174.47 2ka3 n ALA 972 N 5.16 0.00 -2.38 5.97 0.00 -1.26 -5.14 120.51 122.85 2ka3 n ALA 972 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 2ka3 n ALA 972 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2ka3 n ALA 972 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ka3 s HIS 973 N -1.17 1.83 -0.10 0.00 2.46 -1.26 -5.13 115.29 111.91 2ka3 s HIS 973 Ca 0.00 -0.51 -0.18 0.00 0.47 0.00 0.00 55.06 54.83 2ka3 s HIS 973 Cb 0.00 -0.84 -0.04 0.00 -0.13 0.00 0.00 32.58 31.56 2ka3 s HIS 973 CO 0.00 0.42 0.50 0.45 -2.47 0.00 0.00 174.74 173.63 2ka3 s SER 974 N -3.25 6.74 -0.04 9.88 0.15 -1.26 -5.05 113.70 120.86 2ka3 s SER 974 Ca 0.23 0.88 -0.27 0.00 0.70 0.00 0.00 55.95 57.48 2ka3 s SER 974 Cb -0.02 -2.30 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 2ka3 s SER 974 CO 0.08 0.03 0.59 -0.70 1.20 0.00 0.00 173.24 174.44 2ka3 s GLU 975 N 0.44 0.97 -0.20 5.44 -6.30 -1.26 -5.15 118.70 112.65 2ka3 s GLU 975 Ca 0.27 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.90 2ka3 s GLU 975 Cb -0.16 0.45 0.05 0.00 0.00 0.00 0.00 34.13 34.47 2ka3 s GLU 975 CO 0.12 -0.30 -0.07 -1.83 0.02 0.00 0.00 175.26 173.20 2ka3 s GLU 976 N -1.22 1.74 0.52 4.30 4.04 -1.26 -5.14 118.70 121.67 2ka3 s GLU 976 Ca -0.12 -0.80 0.05 0.00 0.04 0.00 0.00 54.97 54.15 2ka3 s GLU 976 Cb -0.01 -2.36 0.04 0.00 0.02 0.00 0.00 34.13 31.82 2ka3 s GLU 976 CO 0.09 -0.48 0.72 -1.25 -1.84 0.00 0.00 175.26 172.49 2ka3 s PRO 977 N 1.46 2.52 -0.06 -4.83 0.04 -1.26 -5.12 135.00 127.77 2ka3 s PRO 977 Ca -0.02 -1.16 0.04 0.00 0.04 0.00 0.00 61.00 59.90 2ka3 s PRO 977 Cb -0.17 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 2ka3 s PRO 977 CO -0.07 -0.64 -0.18 -0.51 0.04 0.00 0.00 177.00 175.64 2ka3 s LEU 978 N -4.62 2.53 -0.00 -3.56 1.02 -1.26 -5.07 118.68 107.72 2ka3 s LEU 978 Ca 0.58 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2ka3 s LEU 978 Cb -0.09 -1.50 -0.00 0.00 0.02 0.00 0.00 46.19 44.62 2ka3 s LEU 978 CO 0.37 0.30 -0.02 0.42 0.02 0.00 0.00 176.35 177.45 2ka3 s THR 979 N -0.49 0.13 -0.12 5.49 -4.23 -1.26 -4.89 115.64 110.27 2ka3 s THR 979 Ca 0.06 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2ka3 s THR 979 Cb -0.12 -0.12 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 2ka3 s THR 979 CO 0.01 0.02 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.31 2ka3 s ILE 980 N -0.08 2.68 -0.26 2.99 -1.09 -1.26 -4.44 121.20 119.74 2ka3 s ILE 980 Ca 0.00 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 2ka3 s ILE 980 Cb -0.01 -2.09 0.07 0.00 -1.58 0.00 0.00 42.46 38.86 2ka3 s ILE 980 CO -0.00 0.54 -0.00 0.12 -1.23 0.00 0.00 174.94 174.37 2ka3 s PHE 981 N 0.31 2.39 0.29 3.97 2.19 -1.23 -3.09 117.98 122.82 2ka3 s PHE 981 Ca -0.13 -1.89 0.06 0.00 0.33 0.00 0.00 56.93 55.30 2ka3 s PHE 981 Cb -0.16 -1.78 -0.02 0.00 -1.31 0.00 0.00 43.02 39.75 2ka3 s PHE 981 CO 0.07 -0.81 0.39 -1.54 1.83 0.00 0.00 175.22 175.16 2ka3 s SER 982 N 1.39 6.00 -0.30 6.13 1.04 -1.21 -2.04 113.70 124.71 2ka3 s SER 982 Ca -0.00 -0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.13 2ka3 s SER 982 Cb -0.18 -1.45 0.17 0.00 0.10 0.00 0.00 66.02 64.66 2ka3 s SER 982 CO -0.10 -0.26 1.20 -0.83 0.98 0.00 0.00 173.24 174.22 2ka3 s GLY 983 N -4.06 -0.12 0.08 7.32 0.00 -0.83 -3.79 107.32 105.92 2ka3 s GLY 983 Ca 0.40 3.09 0.09 0.00 0.00 0.00 0.00 44.72 48.30 2ka3 s GLY 983 CO 0.29 3.93 -0.22 0.00 0.00 0.00 0.00 173.10 177.11 2ka3 s ALA 984 N 2.96 2.50 -0.06 3.20 0.00 -1.01 -2.69 121.76 126.65 2ka3 s ALA 984 Ca -0.08 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 2ka3 s ALA 984 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2ka3 s ALA 984 CO -0.08 0.56 1.37 -1.17 0.00 0.00 0.00 175.76 176.44 2ka3 s LEU 985 N -1.71 4.27 -0.20 0.00 2.96 -1.25 -2.96 118.68 119.80 2ka3 s LEU 985 Ca 0.15 1.97 -0.17 0.00 -0.22 0.00 0.00 54.13 55.86 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 0.06 -0.74 -0.34 -0.11 -1.32 0.00 0.00 176.35 173.90 2ka3 n LEU 986 N 5.96 1.94 -3.95 -0.68 7.94 -1.23 -4.97 117.00 122.00 2ka3 n LEU 986 Ca 0.14 0.35 -0.23 0.00 -1.11 0.00 0.00 56.01 55.15 2ka3 n LEU 986 Cb 0.44 -0.76 -0.17 0.00 0.53 0.00 0.00 43.42 43.46 2ka3 n LEU 986 CO 0.58 -0.12 -0.44 -0.47 -1.11 0.00 0.00 177.39 175.83 2ka3 s TYR 987 N -2.80 1.14 -0.16 1.96 5.04 -0.80 -5.04 117.35 116.69 2ka3 s TYR 987 Ca -0.30 -0.41 -0.14 0.00 -2.44 0.00 0.00 57.07 53.78 2ka3 s TYR 987 Cb 0.06 -0.91 -0.05 0.00 0.35 0.00 0.00 41.96 41.41 2ka3 s TYR 987 CO 0.43 -0.27 0.29 0.20 -1.34 0.00 0.00 175.55 174.87 2ka3 s GLY 988 N 0.93 2.21 0.18 8.97 0.00 -1.26 -2.00 107.32 116.35 2ka3 s GLY 988 Ca -0.10 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 2ka3 s GLY 988 CO 0.01 0.42 1.32 0.99 0.00 0.00 0.00 173.10 175.84 2ka3 s ASP 989 N 0.42 6.88 -0.94 1.64 1.01 -1.18 -4.95 116.67 119.56 2ka3 s ASP 989 Ca 0.17 2.38 -0.06 0.00 0.71 0.00 0.00 52.55 55.75 2ka3 s ASP 989 Cb -0.13 -2.60 0.23 0.00 1.01 0.00 0.00 42.92 41.43 2ka3 s ASP 989 CO 0.04 -0.55 0.86 -2.16 0.21 0.00 0.00 175.17 173.57 2ka3 s PRO 990 N 0.15 3.56 0.00 8.23 0.04 -1.26 -4.83 135.00 140.89 2ka3 s PRO 990 Ca 0.58 -3.10 0.00 0.00 0.04 0.00 0.00 61.00 58.52 2ka3 s PRO 990 Cb -0.36 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2ka3 s PRO 990 CO 0.36 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.54 2ka3 n GLU 991 N 2.74 0.00 -4.06 4.56 1.02 -1.26 -4.80 120.64 118.84 2ka3 n GLU 991 Ca 0.20 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.03 2ka3 n GLU 991 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.80 2ka3 n GLU 991 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ka3 n LEU 992 N 0.00 -2.09 -4.32 -4.62 4.77 -1.26 -5.00 117.00 104.48 2ka3 n LEU 992 Ca 0.00 -0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 54.69 2ka3 n LEU 992 Cb 0.00 -2.24 -0.15 0.00 -2.33 0.00 0.00 43.42 38.70 2ka3 n LEU 992 CO 0.00 0.38 -0.48 -1.61 -1.33 0.00 0.00 177.39 174.34 2ka3 s GLU 993 N -6.71 3.26 -0.22 3.23 2.02 -1.26 -5.09 118.70 113.92 2ka3 s GLU 993 Ca 0.45 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 2ka3 s GLU 993 Cb -0.24 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.53 2ka3 s GLU 993 CO 0.89 0.21 -0.03 -1.01 0.02 0.00 0.00 175.26 175.35 2ka3 s HIS 994 N 0.32 2.02 0.00 1.61 3.76 -1.26 -5.25 115.29 116.49 2ka3 s HIS 994 Ca -0.13 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.28 2ka3 s HIS 994 Cb -0.16 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.10 2ka3 s HIS 994 CO 0.07 -0.73 0.00 0.00 -0.85 0.00 0.00 174.74 173.23