#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 1.44 -0.22 0.52 1.01 -1.26 -5.01 120.40 116.89 2ka3 s VAL 847 Ca 0.00 -0.63 0.21 0.00 0.00 0.00 0.00 61.98 61.56 2ka3 s VAL 847 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2ka3 s VAL 847 CO 0.00 0.37 1.04 1.55 0.00 0.00 0.00 175.10 178.06 2ka3 h PRO 848 N 8.07 0.00 -6.43 2.72 0.13 -2.00 -3.49 132.00 131.01 2ka3 h PRO 848 Ca -0.34 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.39 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 0.49 0.09 -0.89 0.94 -0.23 0.00 0.00 178.00 178.40 2ka3 n GLN 849 N -2.78 -1.22 -5.17 0.86 7.27 -1.26 -4.99 117.38 110.09 2ka3 n GLN 849 Ca -0.02 0.58 -0.32 0.00 0.07 0.00 0.00 57.00 57.31 2ka3 n GLN 849 Cb 0.63 -1.76 -0.16 0.00 2.41 0.00 0.00 30.24 31.36 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 -2.80 2.29 0.07 1.69 1.01 -1.26 -5.05 120.40 116.34 2ka3 s VAL 850 Ca 0.01 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ka3 s VAL 850 Cb -0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2ka3 s VAL 850 CO 0.72 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 176.32 2ka3 s ALA 851 N -0.19 0.78 -0.13 5.51 0.00 -1.26 -3.85 121.76 122.62 2ka3 s ALA 851 Ca -0.02 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 2ka3 s ALA 851 Cb -0.14 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2ka3 s ALA 851 CO 0.03 -0.15 0.35 -0.59 0.00 0.00 0.00 175.76 175.40 2ka3 s PHE 852 N -2.68 -0.39 -0.30 0.00 -0.12 -1.09 -3.51 117.98 109.89 2ka3 s PHE 852 Ca 0.02 0.95 -0.13 0.00 -0.05 0.00 0.00 56.93 57.72 2ka3 s PHE 852 Cb -0.01 0.14 0.17 0.00 -0.63 0.00 0.00 43.02 42.68 2ka3 s PHE 852 CO -0.03 -0.20 0.94 0.45 -0.05 0.00 0.00 175.22 176.34 2ka3 s SER 853 N 0.33 -0.66 0.17 1.98 0.15 0.22 -1.90 113.70 113.98 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 1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 65.93 2ka3 s SER 853 CO -0.01 -0.13 -0.23 0.00 1.20 0.00 0.00 173.24 174.07 2ka3 s ALA 854 N 2.60 2.53 0.09 5.45 0.00 -0.87 -2.01 121.76 129.55 2ka3 s ALA 854 Ca -0.01 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2ka3 s ALA 854 Cb -0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2ka3 s ALA 854 CO -0.17 0.48 -0.07 0.00 0.00 0.00 0.00 175.76 176.00 2ka3 s ALA 855 N -1.46 0.96 -0.05 0.00 0.00 -0.18 -3.42 121.76 117.60 2ka3 s ALA 855 Ca 0.19 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2ka3 s ALA 855 Cb -0.09 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2ka3 s ALA 855 CO 0.09 -0.19 -0.10 -1.17 0.00 0.00 0.00 175.76 174.39 2ka3 s LEU 856 N -2.83 1.59 0.00 0.00 1.98 -1.26 -2.49 118.68 115.67 2ka3 s LEU 856 Ca 0.09 -0.24 0.00 0.00 -2.89 0.00 0.00 54.13 51.09 2ka3 s LEU 856 Cb 0.03 -0.69 0.00 0.00 0.66 0.00 0.00 46.19 46.19 2ka3 s LEU 856 CO -0.04 0.02 0.35 -1.54 -1.89 0.00 0.00 176.35 173.25 2ka3 n SER 857 N 3.78 0.00 -0.41 3.68 3.41 -1.26 -4.89 113.62 117.93 2ka3 n SER 857 Ca -0.23 -1.03 -0.04 0.00 -0.26 0.00 0.00 58.87 57.31 2ka3 n SER 857 Cb 0.52 -0.01 -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 -0.25 -0.03 1.04 -0.00 -1.26 -4.96 117.00 111.54 2ka3 n LEU 858 Ca 0.00 0.08 -0.17 0.00 -0.00 0.00 0.00 56.01 55.92 2ka3 n LEU 858 Cb 0.51 -0.09 -0.13 0.00 -0.00 0.00 0.00 43.42 43.71 2ka3 n LEU 858 CO 0.00 -0.38 0.15 1.55 -0.00 0.00 0.00 177.39 178.71 2ka3 h PRO 859 N 0.04 0.10 -2.82 1.47 0.13 -2.06 -3.49 132.00 125.37 2ka3 h PRO 859 Ca -0.03 -0.18 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2ka3 h PRO 859 Cb 0.14 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 2ka3 h PRO 859 CO 0.05 1.08 0.39 -0.98 -0.23 0.00 0.00 178.00 178.31 2ka3 s ARG 860 N -2.31 1.88 0.00 0.86 1.70 -1.26 -5.14 118.95 114.68 2ka3 s ARG 860 Ca -0.18 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 2ka3 s ARG 860 Cb -0.01 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 2ka3 s ARG 860 CO 0.73 -0.88 0.00 0.43 -1.08 0.00 0.00 175.30 174.50 2ka3 n SER 861 N -1.31 0.00 -4.22 -2.89 7.64 -1.26 -4.97 113.62 106.61 2ka3 n SER 861 Ca -0.06 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.58 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 1.18 0.01 1.43 2.12 -1.26 -5.05 118.70 117.14 2ka3 s GLU 862 Ca 0.00 -0.92 0.24 0.00 0.36 0.00 0.00 54.97 54.66 2ka3 s GLU 862 Cb 0.00 -1.28 1.04 0.00 0.26 0.00 0.00 34.13 34.14 2ka3 s GLU 862 CO 0.00 0.32 1.78 -0.35 -0.54 0.00 0.00 175.26 176.47 2ka3 n PRO 863 N 1.73 0.01 0.00 4.30 -0.04 -1.26 -4.88 135.00 134.87 2ka3 n PRO 863 Ca -0.18 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2ka3 n PRO 863 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2ka3 n PRO 863 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka3 n GLY 864 N 1.02 3.41 3.76 0.55 0.00 -1.26 -5.15 105.19 107.52 2ka3 n GLY 864 Ca 0.06 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.02 2.39 -0.10 2.61 2.01 -1.26 -4.98 115.64 116.29 2ka3 s THR 865 Ca 0.00 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 2ka3 s THR 865 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2ka3 s THR 865 CO 0.00 0.00 0.61 -0.69 -0.69 0.00 0.00 174.62 173.85 2ka3 s VAL 866 N -1.36 5.10 0.00 3.82 1.01 -1.26 -5.08 120.40 122.64 2ka3 s VAL 866 Ca 0.67 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2ka3 s VAL 866 Cb -0.37 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2ka3 s VAL 866 CO 0.45 0.27 0.00 -0.81 0.00 0.00 0.00 175.10 175.01 2ka3 n PRO 867 N 3.88 3.34 -3.73 2.72 -0.04 -1.26 -4.63 135.00 135.28 2ka3 n PRO 867 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 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 1.97 -0.39 -0.10 0.54 -0.71 -1.26 -4.90 117.98 113.14 2ka3 s PHE 868 Ca 0.00 0.89 0.03 0.00 -1.04 0.00 0.00 56.93 56.81 2ka3 s PHE 868 Cb 0.00 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2ka3 s PHE 868 CO 0.00 -0.24 0.10 -0.40 -1.34 0.00 0.00 175.22 173.34 2ka3 n ASP 869 N 3.90 0.97 -4.34 1.98 5.75 -1.23 -4.88 116.55 118.70 2ka3 n ASP 869 Ca -0.22 -0.45 -0.46 0.00 -0.01 0.00 0.00 54.79 53.65 2ka3 n ASP 869 Cb 0.55 1.02 -0.01 0.00 -1.03 0.00 0.00 41.12 41.65 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 -1.43 3.81 -0.75 0.11 1.81 -1.04 -4.99 118.95 116.48 2ka3 s ARG 870 Ca 0.01 -2.70 -0.26 0.00 -1.72 0.00 0.00 55.73 51.06 2ka3 s ARG 870 Cb 0.02 -4.49 -0.00 0.00 -0.45 0.00 0.00 34.95 30.02 2ka3 s ARG 870 CO 0.11 -1.29 1.68 0.08 -0.68 0.00 0.00 175.30 175.19 2ka3 s VAL 871 N -0.24 3.53 -0.05 3.52 1.01 -1.26 -1.01 120.40 125.90 2ka3 s VAL 871 Ca 0.23 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 2ka3 s VAL 871 Cb -0.10 -4.34 -0.28 0.00 0.00 0.00 0.00 36.38 31.66 2ka3 s VAL 871 CO -0.09 -1.29 0.63 -0.07 0.00 0.00 0.00 175.10 174.28 2ka3 h LEU 872 N 15.38 0.41 -6.91 3.92 3.38 -1.78 -3.46 115.31 126.26 2ka3 h LEU 872 Ca -0.14 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.21 2ka3 h LEU 872 Cb 1.08 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.46 2ka3 h LEU 872 CO 1.26 1.62 0.22 -0.22 0.09 0.00 0.00 178.44 181.40 2ka3 s LEU 873 N -6.98 -0.69 -0.32 1.67 2.96 -1.23 -5.01 118.68 109.07 2ka3 s LEU 873 Ca -0.15 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 2ka3 s LEU 873 Cb 0.06 1.93 0.32 0.00 0.50 0.00 0.00 46.19 49.01 2ka3 s LEU 873 CO 0.82 -0.16 1.39 -3.20 -1.32 0.00 0.00 176.35 173.88 2ka3 n ASN 874 N 4.27 -1.21 -0.19 3.68 2.85 -1.23 -0.61 115.26 122.81 2ka3 n ASN 874 Ca -0.16 -1.82 -0.07 0.00 -0.11 0.00 0.00 54.58 52.41 2ka3 n ASN 874 Cb 0.56 1.09 0.03 0.00 1.24 0.00 0.00 39.78 42.70 2ka3 n ASN 874 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2ka3 h ASP 875 N 2.26 0.67 0.42 1.20 2.03 -1.97 -3.23 116.42 117.80 2ka3 h ASP 875 Ca -0.31 -0.06 -0.25 0.00 -0.73 0.00 0.00 57.03 55.68 2ka3 h ASP 875 Cb 1.22 -0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 39.50 2ka3 h ASP 875 CO -0.03 0.54 -1.78 0.61 -1.03 0.00 0.00 179.24 177.55 2ka3 n GLY 876 N -1.11 -1.07 0.00 7.15 0.00 -1.26 -5.00 105.19 103.89 2ka3 n GLY 876 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.66 5.09 -0.02 0.00 -1.22 -5.00 105.19 108.21 2ka3 n GLY 877 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.32 1.61 4.01 -1.26 -4.64 117.16 113.56 2ka3 n TYR 878 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2ka3 n TYR 878 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.29 -0.72 1.13 -1.26 -4.11 117.35 115.34 2ka3 s TYR 879 Ca 0.00 0.44 -0.27 0.00 -1.41 0.00 0.00 57.07 55.83 2ka3 s TYR 879 Cb 0.00 -2.67 0.01 0.00 -1.10 0.00 0.00 41.96 38.20 2ka3 s TYR 879 CO 0.00 -0.29 0.98 0.34 -2.51 0.00 0.00 175.55 174.07 2ka3 s ASP 880 N 1.63 6.89 0.00 -0.18 -1.08 -1.09 -4.93 116.67 117.90 2ka3 s ASP 880 Ca 0.17 1.02 0.24 0.00 -0.52 0.00 0.00 52.55 53.47 2ka3 s ASP 880 Cb -0.16 -2.50 0.60 0.00 -1.46 0.00 0.00 42.92 39.40 2ka3 s ASP 880 CO 0.10 -0.74 1.48 -0.81 0.52 0.00 0.00 175.17 175.72 2ka3 n PRO 881 N 6.52 2.06 0.02 4.34 -0.04 -1.26 -0.22 135.00 146.42 2ka3 n PRO 881 Ca 0.09 -1.57 -0.19 0.00 -0.04 0.00 0.00 63.50 61.79 2ka3 n PRO 881 Cb 0.47 -1.46 -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 3.45 0.23 0.00 0.54 5.08 -1.92 -3.34 114.58 118.63 2ka3 h GLU 882 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2ka3 h GLU 882 Cb 0.75 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2ka3 h GLU 882 CO 0.00 1.19 -1.21 0.25 -1.00 0.00 0.00 179.01 178.23 2ka3 n THR 883 N -4.22 0.00 -1.03 1.13 -2.24 -1.25 -4.93 114.28 101.73 2ka3 n THR 883 Ca -0.14 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2ka3 n THR 883 Cb 0.75 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.44 0.61 3.37 3.38 0.00 0.70 -4.66 105.19 110.02 2ka3 n GLY 884 Ca 0.01 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 2ka3 n GLY 884 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka3 s VAL 885 N -2.00 5.21 -0.38 1.61 1.01 -0.73 -4.24 120.40 120.87 2ka3 s VAL 885 Ca 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 2ka3 s VAL 885 Cb 0.00 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2ka3 s VAL 885 CO 0.00 -0.68 0.25 0.12 0.00 0.00 0.00 175.10 174.80 2ka3 s PHE 886 N 1.69 3.23 -0.43 5.22 2.19 -1.24 -2.68 117.98 125.96 2ka3 s PHE 886 Ca 0.04 -0.62 -0.15 0.00 0.33 0.00 0.00 56.93 56.53 2ka3 s PHE 886 Cb -0.26 -2.51 0.04 0.00 -1.31 0.00 0.00 43.02 38.99 2ka3 s PHE 886 CO 0.06 -0.55 0.33 0.99 1.83 0.00 0.00 175.22 177.88 2ka3 s THR 887 N 1.65 5.18 -0.42 0.12 2.01 -1.26 -3.64 115.64 119.28 2ka3 s THR 887 Ca 0.04 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 2ka3 s THR 887 Cb -0.19 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2ka3 s THR 887 CO 0.09 -0.42 0.65 0.00 -0.69 0.00 0.00 174.62 174.25 2ka3 s ALA 888 N 1.65 3.36 -2.49 7.40 0.00 -1.25 -4.69 121.76 125.73 2ka3 s ALA 888 Ca 0.04 -1.12 0.24 0.00 0.00 0.00 0.00 51.96 51.12 2ka3 s ALA 888 Cb -0.21 -3.29 0.66 0.00 0.00 0.00 0.00 23.12 20.28 2ka3 s ALA 888 CO 0.08 -1.72 1.52 -0.35 0.00 0.00 0.00 175.76 175.29 2ka3 n PRO 889 N 6.26 1.98 -0.07 0.00 -0.04 -1.26 -1.94 135.00 139.93 2ka3 n PRO 889 Ca -0.01 -1.45 -0.08 0.00 -0.04 0.00 0.00 63.50 61.92 2ka3 n PRO 889 Cb 0.48 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 3.14 -0.86 -2.58 1.53 3.38 -1.95 -3.48 115.31 114.48 2ka3 h LEU 890 Ca 0.00 0.16 -0.31 0.00 0.09 0.00 0.00 57.88 57.82 2ka3 h LEU 890 Cb 0.68 0.41 0.16 0.00 0.09 0.00 0.00 40.66 42.00 2ka3 h LEU 890 CO 0.00 -0.29 -0.88 0.00 0.09 0.00 0.00 178.44 177.36 2ka3 n ALA 891 N -2.87 -2.47 -3.00 1.53 0.00 -1.26 -4.77 120.51 107.67 2ka3 n ALA 891 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ka3 n ALA 891 Cb 0.31 -5.07 0.00 0.00 0.00 0.00 0.00 19.45 14.69 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 -1.36 1.65 3.61 0.00 0.00 -1.26 -3.29 105.19 104.54 2ka3 n GLY 892 Ca -0.10 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.01 4.04 0.07 1.61 3.52 -0.32 -4.91 118.95 121.95 2ka3 s ARG 893 Ca 0.00 0.23 0.08 0.00 -0.13 0.00 0.00 55.73 55.91 2ka3 s ARG 893 Cb 0.00 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 2ka3 s ARG 893 CO 0.00 -0.34 -0.17 -0.47 -0.81 0.00 0.00 175.30 173.50 2ka3 s TYR 894 N 2.25 2.56 -0.30 5.12 5.04 -1.26 -1.88 117.35 128.89 2ka3 s TYR 894 Ca 0.19 -0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.50 2ka3 s TYR 894 Cb -0.16 -1.42 0.01 0.00 0.35 0.00 0.00 41.96 40.74 2ka3 s TYR 894 CO 0.09 0.31 0.09 -1.17 -1.34 0.00 0.00 175.55 173.54 2ka3 s LEU 895 N -1.74 3.90 -0.06 6.97 2.96 -1.03 -4.76 118.68 124.92 2ka3 s LEU 895 Ca 0.16 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2ka3 s LEU 895 Cb -0.11 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2ka3 s LEU 895 CO 0.08 -0.19 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.58 2ka3 s LEU 896 N 1.52 2.90 -0.10 -0.68 0.20 -1.26 -2.29 118.68 118.97 2ka3 s LEU 896 Ca 0.03 -0.14 -0.04 0.00 0.69 0.00 0.00 54.13 54.67 2ka3 s LEU 896 Cb -0.17 -1.61 0.05 0.00 -0.43 0.00 0.00 46.19 44.03 2ka3 s LEU 896 CO 0.03 0.34 0.18 -0.44 -0.29 0.00 0.00 176.35 176.17 2ka3 s SER 897 N -0.67 0.78 0.14 3.68 0.01 -1.24 -4.86 113.70 111.54 2ka3 s SER 897 Ca 0.10 0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.72 2ka3 s SER 897 Cb -0.11 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2ka3 s SER 897 CO 0.01 -0.25 0.07 0.00 0.41 0.00 0.00 173.24 173.48 2ka3 s ALA 898 N 2.31 3.44 -0.22 1.44 0.00 -1.26 -3.16 121.76 124.31 2ka3 s ALA 898 Ca 0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2ka3 s ALA 898 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2ka3 s ALA 898 CO -0.07 0.58 0.01 0.08 0.00 0.00 0.00 175.76 176.36 2ka3 s VAL 899 N -1.60 3.83 -0.26 0.00 1.01 -1.14 -5.05 120.40 117.19 2ka3 s VAL 899 Ca 0.29 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2ka3 s VAL 899 Cb -0.11 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2ka3 s VAL 899 CO 0.21 0.40 0.17 -0.76 0.00 0.00 0.00 175.10 175.12 2ka3 s LEU 900 N 1.39 4.03 0.05 3.92 2.01 -1.26 -4.57 118.68 124.24 2ka3 s LEU 900 Ca 0.05 0.03 -0.29 0.00 0.01 0.00 0.00 54.13 53.92 2ka3 s LEU 900 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 43.91 2ka3 s LEU 900 CO 0.00 0.00 0.95 -0.89 1.01 0.00 0.00 176.35 177.42 2ka3 s THR 901 N 1.45 4.70 0.11 5.49 2.01 -1.26 -4.99 115.64 123.15 2ka3 s THR 901 Ca 0.07 2.01 -0.31 0.00 0.31 0.00 0.00 61.69 63.77 2ka3 s THR 901 Cb -0.15 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 67.96 2ka3 s THR 901 CO 0.08 0.25 1.59 1.23 -0.69 0.00 0.00 174.62 177.07 2ka3 h GLY 902 N 6.18 -0.86 -6.54 4.40 0.00 -1.99 -3.48 103.07 100.79 2ka3 h GLY 902 Ca -0.42 0.50 -0.44 0.00 0.00 0.00 0.00 47.33 46.98 2ka3 h GLY 902 CO 0.73 -0.27 -1.05 1.42 0.00 0.00 0.00 176.54 177.38 2ka3 n HIS 903 N -5.47 -1.98 0.60 5.60 8.25 -1.26 -4.87 115.22 116.09 2ka3 n HIS 903 Ca -0.07 0.82 0.10 0.00 -0.26 0.00 0.00 57.72 58.30 2ka3 n HIS 903 Cb 0.38 -2.31 0.42 0.00 1.12 0.00 0.00 29.99 29.60 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 -1.98 0.06 0.13 -0.41 1.85 -1.26 -3.62 116.66 111.42 2ka3 n ARG 904 Ca -0.26 0.23 0.12 0.00 -1.00 0.00 0.00 57.85 56.94 2ka3 n ARG 904 Cb 0.64 -1.60 0.47 0.00 -1.05 0.00 0.00 32.46 30.92 2ka3 n ARG 904 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2ka3 n HIS 905 N -1.71 0.87 0.00 2.89 -0.00 -1.26 -4.98 115.22 111.03 2ka3 n HIS 905 Ca 0.04 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.54 2ka3 n HIS 905 Cb 0.24 -1.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.10 2ka3 n HIS 905 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2ka3 n GLU 906 N -2.27 0.00 0.00 1.57 0.28 -1.24 -5.12 120.64 113.86 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 0.28 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.15 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 -0.46 0.00 -3.59 3.44 4.81 -1.26 -4.83 118.16 116.26 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 -0.59 5.32 -0.18 3.15 1.01 -1.26 -3.32 120.40 124.53 2ka3 s VAL 908 Ca 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2ka3 s VAL 908 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2ka3 s VAL 908 CO 0.00 0.32 0.01 -0.70 0.00 0.00 0.00 175.10 174.73 2ka3 s GLU 909 N 1.10 3.77 -0.22 2.72 2.56 -0.61 -4.46 118.70 123.56 2ka3 s GLU 909 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 54.97 54.57 2ka3 s GLU 909 Cb -0.14 -3.07 0.11 0.00 2.00 0.00 0.00 34.13 33.03 2ka3 s GLU 909 CO 0.05 0.19 0.39 0.00 -0.56 0.00 0.00 175.26 175.33 2ka3 s ALA 910 N 0.54 -1.08 -0.34 6.30 0.00 -1.26 -2.65 121.76 123.27 2ka3 s ALA 910 Ca -0.00 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 2ka3 s ALA 910 Cb -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2ka3 s ALA 910 CO 0.02 -1.02 0.73 0.08 0.00 0.00 0.00 175.76 175.57 2ka3 s VAL 911 N 2.56 4.80 0.36 0.00 1.01 -1.24 -3.27 120.40 124.62 2ka3 s VAL 911 Ca 0.06 0.88 -0.28 0.00 0.00 0.00 0.00 61.98 62.64 2ka3 s VAL 911 Cb -0.14 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 2ka3 s VAL 911 CO -0.14 -0.33 1.46 -0.76 0.00 0.00 0.00 175.10 175.32 2ka3 s LEU 912 N 2.93 4.34 0.06 3.92 1.43 -0.66 -3.78 118.68 126.93 2ka3 s LEU 912 Ca 0.29 2.96 0.07 0.00 -1.03 0.00 0.00 54.13 56.42 2ka3 s LEU 912 Cb -0.14 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 2ka3 s LEU 912 CO 0.15 -0.80 -0.17 -0.55 0.23 0.00 0.00 176.35 175.21 2ka3 s SER 913 N -0.14 3.91 0.24 2.29 0.15 -0.85 -3.31 113.70 115.99 2ka3 s SER 913 Ca 0.53 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 2ka3 s SER 913 Cb -0.45 -0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 63.13 2ka3 s SER 913 CO 0.59 0.23 1.00 0.00 1.20 0.00 0.00 173.24 176.27 2ka3 s ARG 914 N -1.66 4.76 0.00 5.44 1.70 -1.26 -2.53 118.95 125.41 2ka3 s ARG 914 Ca 0.16 1.60 0.00 0.00 -0.47 0.00 0.00 55.73 57.02 2ka3 s ARG 914 Cb -0.11 -3.26 0.00 0.00 -0.57 0.00 0.00 34.95 31.01 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 1.57 0.00 0.00 -2.89 2.88 -1.26 -4.76 113.62 109.16 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 0.38 -1.43 -3.46 3.02 -1.25 -5.16 115.26 107.36 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 0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.48 -3.24 0.00 3.52 6.02 -1.05 -4.94 117.38 117.21 2ka3 n GLN 917 Ca 0.00 2.58 0.00 0.00 -0.01 0.00 0.00 57.00 59.57 2ka3 n GLN 917 Cb 0.03 -3.81 0.00 0.00 1.02 0.00 0.00 30.24 27.48 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 -4.31 3.13 3.00 1.08 0.00 -1.26 -4.82 105.19 102.01 2ka3 n GLY 918 Ca -0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00-10.06 -3.15 1.61 0.31 -1.26 -2.00 118.33 103.78 2ka3 n VAL 919 Ca 0.00 0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 64.32 2ka3 n VAL 919 Cb 0.00 -6.79 -0.07 0.00 -0.91 0.00 0.00 33.84 26.07 2ka3 n VAL 919 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka3 s ALA 920 N -2.70 3.45 -0.18 3.52 0.00 -1.24 -3.37 121.76 121.25 2ka3 s ALA 920 Ca 0.16 -0.94 0.11 0.00 0.00 0.00 0.00 51.96 51.29 2ka3 s ALA 920 Cb -0.04 -3.13 -0.18 0.00 0.00 0.00 0.00 23.12 19.76 2ka3 s ALA 920 CO 0.77 -1.34 -0.02 2.89 0.00 0.00 0.00 175.76 178.06 2ka3 n ARG 921 N 5.96 1.09 -3.26 0.00 1.85 -1.25 -4.10 116.66 116.95 2ka3 n ARG 921 Ca -0.02 0.03 -0.44 0.00 -1.00 0.00 0.00 57.85 56.42 2ka3 n ARG 921 Cb 0.49 -1.42 -0.00 0.00 -1.05 0.00 0.00 32.46 30.48 2ka3 n ARG 921 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2ka3 n VAL 922 N -2.76 4.69 -3.55 8.89 0.31 -1.26 -4.38 118.33 120.28 2ka3 n VAL 922 Ca -0.30 -5.53 -0.36 0.00 -0.01 0.00 0.00 64.34 58.14 2ka3 n VAL 922 Cb 0.99 -2.43 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 2ka3 n VAL 922 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ka3 s ASP 923 N 0.32 6.43 -0.15 4.52 2.15 -1.26 -3.70 116.67 124.97 2ka3 s ASP 923 Ca 0.31 0.50 -0.04 0.00 0.43 0.00 0.00 52.55 53.75 2ka3 s ASP 923 Cb -0.05 -2.18 0.07 0.00 -0.30 0.00 0.00 42.92 40.46 2ka3 s ASP 923 CO -0.03 0.11 0.20 -0.55 -0.17 0.00 0.00 175.17 174.73 2ka3 s SER 924 N 0.43 1.07 -0.99 -0.34 0.15 -1.08 -5.07 113.70 107.86 2ka3 s SER 924 Ca 0.16 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 2ka3 s SER 924 Cb -0.13 0.37 0.24 0.00 -1.71 0.00 0.00 66.02 64.78 2ka3 s SER 924 CO 0.04 -0.29 1.00 -0.83 1.20 0.00 0.00 173.24 174.36 2ka3 s GLY 925 N 2.32 2.84 0.00 9.45 0.00 -1.26 -1.57 107.32 119.10 2ka3 s GLY 925 Ca 0.05 -3.52 0.03 0.00 0.00 0.00 0.00 44.72 41.28 2ka3 s GLY 925 CO -0.09 1.41 0.51 0.61 0.00 0.00 0.00 173.10 175.54 2ka3 n GLY 926 N 3.53 -0.27 0.34 0.20 0.00 -1.21 -5.03 105.19 102.76 2ka3 n GLY 926 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ka3 n GLY 926 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ka3 n THR 946 N -0.67 0.00 -5.21 2.61 -1.04 -1.26 -4.33 114.28 104.38 2ka3 n THR 946 Ca 0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 2ka3 n THR 946 Cb 0.01 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.36 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 2.14 0.10 -4.42 1.43 -1.26 -5.00 118.68 111.67 2ka3 s LEU 947 Ca 0.00 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2ka3 s LEU 947 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2ka3 s LEU 947 CO 0.00 0.22 -0.03 -0.83 0.23 0.00 0.00 176.35 175.94 2ka3 s GLY 948 N -0.02 0.80 -0.10 -3.19 0.00 -1.26 -5.02 107.32 98.53 2ka3 s GLY 948 Ca -0.08 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.29 2ka3 s GLY 948 CO 0.05 -1.42 -0.18 -1.34 0.00 0.00 0.00 173.10 170.21 2ka3 s VAL 949 N -3.76 1.64 0.02 1.40 -7.23 -1.26 -3.71 120.40 107.50 2ka3 s VAL 949 Ca 0.14 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2ka3 s VAL 949 Cb 0.06 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 2ka3 s VAL 949 CO -0.04 0.47 -0.04 0.72 -0.31 0.00 0.00 175.10 175.90 2ka3 s PHE 950 N 0.75 0.36 -0.07 2.82 -0.12 -1.26 -5.04 117.98 115.42 2ka3 s PHE 950 Ca -0.11 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 2ka3 s PHE 950 Cb -0.16 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 2ka3 s PHE 950 CO 0.02 -0.15 -0.07 0.43 -0.05 0.00 0.00 175.22 175.39 2ka3 n SER 951 N 1.65 2.56 -0.08 1.98 7.64 -1.26 -4.42 113.62 121.69 2ka3 n SER 951 Ca -0.23 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.52 2ka3 n SER 951 Cb 0.55 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.08 0.00 0.00 -3.43 5.85 -1.93 -3.47 115.31 112.24 2ka3 h LEU 952 Ca -0.17 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 2ka3 h LEU 952 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2ka3 h LEU 952 CO -0.05 1.03 0.01 2.30 -0.34 0.00 0.00 178.44 181.38 2ka3 n ILE 953 N -4.59 0.00 -2.95 4.05 -5.35 -1.26 -4.34 119.36 104.92 2ka3 n ILE 953 Ca -0.14 -0.04 -0.01 0.00 -0.27 0.00 0.00 62.75 62.28 2ka3 n ILE 953 Cb 0.43 -1.59 0.00 0.00 -1.74 0.00 0.00 39.64 36.74 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 -1.30 -0.88 7.28 -0.00 -1.26 -4.94 118.68 117.57 2ka3 s LEU 954 Ca 0.02 -1.08 -0.25 0.00 -0.00 0.00 0.00 54.13 52.82 2ka3 s LEU 954 Cb -0.00 1.69 -0.01 0.00 -0.00 0.00 0.00 46.19 47.87 2ka3 s LEU 954 CO 0.02 -0.10 1.72 -2.16 -0.00 0.00 0.00 176.35 175.83 2ka3 s PRO 955 N 1.40 2.94 0.02 1.48 0.04 -1.26 -4.93 135.00 134.69 2ka3 s PRO 955 Ca 0.22 -0.41 0.08 0.00 0.04 0.00 0.00 61.00 60.93 2ka3 s PRO 955 Cb -0.00 -4.98 -0.02 0.00 0.04 0.00 0.00 34.50 29.53 2ka3 s PRO 955 CO -0.07 -2.82 -0.25 -0.51 0.04 0.00 0.00 177.00 173.39 2ka3 s LEU 956 N 7.97 2.12 0.32 -3.56 1.02 -1.26 -4.91 118.68 120.39 2ka3 s LEU 956 Ca 0.59 -0.53 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 2ka3 s LEU 956 Cb -0.06 -1.25 -0.04 0.00 0.02 0.00 0.00 46.19 44.87 2ka3 s LEU 956 CO 0.01 0.26 0.54 -1.10 0.02 0.00 0.00 176.35 176.09 2ka3 s GLN 957 N -0.99 3.52 -0.03 1.70 -0.21 -1.26 -5.02 119.66 117.37 2ka3 s GLN 957 Ca 0.10 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 2ka3 s GLN 957 Cb -0.10 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.20 2ka3 s GLN 957 CO 0.01 0.18 1.40 0.00 -2.12 0.00 0.00 175.29 174.75 2ka3 s ALA 958 N -2.24 3.59 0.00 6.09 0.00 -1.26 -2.97 121.76 124.97 2ka3 s ALA 958 Ca 0.41 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2ka3 s ALA 958 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2ka3 s ALA 958 CO 0.34 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2ka3 n GLY 959 N 3.68 1.34 3.66 0.00 0.00 -0.82 -5.03 105.19 108.02 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 -2.59 1.75 -0.07 1.61 1.11 -1.16 -4.80 116.67 112.52 2ka3 s ASP 960 Ca 0.00 0.77 -0.03 0.00 0.18 0.00 0.00 52.55 53.47 2ka3 s ASP 960 Cb 0.00 -1.14 0.04 0.00 1.07 0.00 0.00 42.92 42.89 2ka3 s ASP 960 CO 0.00 -3.62 0.14 -0.89 1.18 0.00 0.00 175.17 171.98 2ka3 s THR 961 N -3.09 -0.13 0.16 -1.27 2.01 -1.26 -3.97 115.64 108.08 2ka3 s THR 961 Ca 0.69 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.91 2ka3 s THR 961 Cb -0.12 -0.25 -0.06 0.00 0.01 0.00 0.00 72.50 72.09 2ka3 s THR 961 CO 0.56 0.11 0.39 0.68 -0.69 0.00 0.00 174.62 175.67 2ka3 s VAL 962 N 1.64 5.15 -0.03 3.82 -7.23 -1.24 -4.35 120.40 118.17 2ka3 s VAL 962 Ca -0.04 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2ka3 s VAL 962 Cb -0.12 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2ka3 s VAL 962 CO -0.06 0.00 0.08 0.00 -0.31 0.00 0.00 175.10 174.81 2ka3 s VAL 964 N 0.17 5.18 -0.16 0.00 1.01 -1.26 -1.65 120.40 123.68 2ka3 s VAL 964 Ca -0.01 0.96 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 2ka3 s VAL 964 Cb -0.02 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2ka3 s VAL 964 CO -0.00 0.31 0.03 -0.62 0.00 0.00 0.00 175.10 174.81 2ka3 s ASP 965 N 0.68 5.37 -0.50 3.32 -1.08 -1.20 -4.91 116.67 118.34 2ka3 s ASP 965 Ca 0.26 0.04 0.07 0.00 -0.52 0.00 0.00 52.55 52.40 2ka3 s ASP 965 Cb -0.15 -1.86 0.24 0.00 -1.46 0.00 0.00 42.92 39.69 2ka3 s ASP 965 CO 0.10 0.20 0.59 -0.11 0.52 0.00 0.00 175.17 176.48 2ka3 n LEU 966 N 3.33 1.63 -3.15 -1.34 7.94 -1.26 -4.08 117.00 120.06 2ka3 n LEU 966 Ca -0.17 -4.98 0.04 0.00 -1.11 0.00 0.00 56.01 49.79 2ka3 n LEU 966 Cb 0.52 0.07 -0.00 0.00 0.53 0.00 0.00 43.42 44.54 2ka3 n LEU 966 CO 0.34 2.04 0.19 -0.69 -1.11 0.00 0.00 177.39 178.15 2ka3 s VAL 967 N -1.60 -0.85 -0.46 1.96 1.01 -1.26 -5.05 120.40 114.15 2ka3 s VAL 967 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.41 2ka3 s VAL 967 Cb 0.14 -0.85 0.23 0.00 0.00 0.00 0.00 36.38 35.91 2ka3 s VAL 967 CO -0.08 0.00 0.74 0.23 0.00 0.00 0.00 175.10 175.99 2ka3 n MET 968 N 5.36 0.71 0.00 2.72 2.81 -1.26 -5.06 117.12 122.40 2ka3 n MET 968 Ca 0.06 -2.26 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 2ka3 n MET 968 Cb 0.55 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 1.76 3.38 0.04 3.03 0.00 -1.26 -4.23 105.19 107.92 2ka3 n GLY 969 Ca 0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.17 2.46 -3.01 1.61 7.27 -1.26 -4.77 117.38 119.50 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 -1.23 -0.02 0.00 2.41 0.00 0.00 30.24 31.40 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 -4.65 5.38 0.00 1.69 2.96 -1.26 -4.90 118.68 117.91 2ka3 s LEU 971 Ca -0.04 -2.45 0.00 0.00 -0.22 0.00 0.00 54.13 51.41 2ka3 s LEU 971 Cb 0.03 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2ka3 s LEU 971 CO 0.37 -0.87 0.00 0.00 -1.32 0.00 0.00 176.35 174.53 2ka3 n ALA 972 N 5.73 0.00 -2.40 5.97 0.00 -1.26 -5.17 120.51 123.38 2ka3 n ALA 972 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 2ka3 n ALA 972 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 2ka3 n ALA 972 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ka3 s HIS 973 N -1.27 1.94 -0.07 0.00 2.46 -1.26 -5.13 115.29 111.95 2ka3 s HIS 973 Ca 0.00 -0.47 -0.17 0.00 0.47 0.00 0.00 55.06 54.89 2ka3 s HIS 973 Cb 0.00 -0.88 -0.05 0.00 -0.13 0.00 0.00 32.58 31.52 2ka3 s HIS 973 CO 0.00 0.48 0.44 0.45 -2.47 0.00 0.00 174.74 173.64 2ka3 s SER 974 N -3.29 6.72 -0.00 9.88 0.15 -1.26 -5.06 113.70 120.84 2ka3 s SER 974 Ca 0.24 0.85 -0.28 0.00 0.70 0.00 0.00 55.95 57.47 2ka3 s SER 974 Cb -0.03 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.08 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 1.07 -0.21 5.44 -6.30 -1.26 -5.15 118.70 112.25 2ka3 s GLU 975 Ca 0.24 0.05 0.00 0.00 -2.50 0.00 0.00 54.97 52.77 2ka3 s GLU 975 Cb -0.16 0.50 0.05 0.00 0.00 0.00 0.00 34.13 34.52 2ka3 s GLU 975 CO 0.11 -0.36 -0.06 -1.83 0.02 0.00 0.00 175.26 173.14 2ka3 s GLU 976 N -1.77 1.61 0.52 4.30 4.04 -1.26 -5.14 118.70 120.99 2ka3 s GLU 976 Ca -0.08 -0.80 0.08 0.00 0.04 0.00 0.00 54.97 54.20 2ka3 s GLU 976 Cb -0.01 -2.37 0.05 0.00 0.02 0.00 0.00 34.13 31.83 2ka3 s GLU 976 CO 0.05 -0.52 0.71 -1.25 -1.84 0.00 0.00 175.26 172.40 2ka3 s PRO 977 N 1.49 2.51 -0.03 -4.83 0.04 -1.26 -5.12 135.00 127.79 2ka3 s PRO 977 Ca -0.03 -1.36 0.06 0.00 0.04 0.00 0.00 61.00 59.72 2ka3 s PRO 977 Cb -0.17 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2ka3 s PRO 977 CO -0.07 -0.64 -0.22 -0.51 0.04 0.00 0.00 177.00 175.60 2ka3 s LEU 978 N -4.57 2.28 0.00 -3.56 1.02 -1.26 -5.05 118.68 107.54 2ka3 s LEU 978 Ca 0.59 -0.38 -0.00 0.00 0.02 0.00 0.00 54.13 54.35 2ka3 s LEU 978 Cb -0.08 -1.41 -0.00 0.00 0.02 0.00 0.00 46.19 44.72 2ka3 s LEU 978 CO 0.37 0.32 0.00 0.42 0.02 0.00 0.00 176.35 177.48 2ka3 s THR 979 N -0.62 0.02 -0.11 5.49 -4.23 -1.26 -4.83 115.64 110.09 2ka3 s THR 979 Ca 0.10 -0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 2ka3 s THR 979 Cb -0.10 -0.05 -0.00 0.00 1.34 0.00 0.00 72.50 73.68 2ka3 s THR 979 CO -0.00 -0.07 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.17 2ka3 s ILE 980 N -0.20 2.36 -0.27 2.99 -1.09 -1.26 -4.38 121.20 119.35 2ka3 s ILE 980 Ca -0.02 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.49 2ka3 s ILE 980 Cb -0.01 -1.93 0.08 0.00 -1.58 0.00 0.00 42.46 39.01 2ka3 s ILE 980 CO -0.00 0.55 0.00 0.12 -1.23 0.00 0.00 174.94 174.38 2ka3 s PHE 981 N 0.33 2.44 0.27 3.97 2.19 -1.22 -2.89 117.98 123.07 2ka3 s PHE 981 Ca -0.16 -1.95 0.05 0.00 0.33 0.00 0.00 56.93 55.20 2ka3 s PHE 981 Cb -0.17 -1.84 -0.02 0.00 -1.31 0.00 0.00 43.02 39.67 2ka3 s PHE 981 CO 0.08 -0.82 0.39 -1.54 1.83 0.00 0.00 175.22 175.16 2ka3 s SER 982 N 1.37 6.23 -0.30 6.13 1.04 -1.19 -2.05 113.70 124.93 2ka3 s SER 982 Ca 0.01 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.27 2ka3 s SER 982 Cb -0.18 -1.70 0.17 0.00 0.10 0.00 0.00 66.02 64.41 2ka3 s SER 982 CO -0.11 -0.17 1.21 -0.83 0.98 0.00 0.00 173.24 174.33 2ka3 s GLY 983 N -4.03 -0.17 0.03 7.32 0.00 -0.80 -3.62 107.32 106.05 2ka3 s GLY 983 Ca 0.37 3.05 0.08 0.00 0.00 0.00 0.00 44.72 48.22 2ka3 s GLY 983 CO 0.30 3.99 -0.24 0.00 0.00 0.00 0.00 173.10 177.15 2ka3 s ALA 984 N 2.99 2.32 -0.05 3.20 0.00 -0.97 -2.67 121.76 126.58 2ka3 s ALA 984 Ca -0.05 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 2ka3 s ALA 984 Cb -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 2ka3 s ALA 984 CO -0.09 0.54 1.25 -1.17 0.00 0.00 0.00 175.76 176.30 2ka3 s LEU 985 N -1.13 4.28 -0.20 0.00 2.96 -1.25 -2.46 118.68 120.89 2ka3 s LEU 985 Ca 0.12 1.87 -0.17 0.00 -0.22 0.00 0.00 54.13 55.73 2ka3 s LEU 985 Cb -0.10 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 2ka3 s LEU 985 CO 0.02 -0.63 -0.33 -0.11 -1.32 0.00 0.00 176.35 173.98 2ka3 n LEU 986 N 5.39 1.93 -3.93 -0.68 7.94 -1.21 -4.94 117.00 121.49 2ka3 n LEU 986 Ca 0.12 0.36 -0.22 0.00 -1.11 0.00 0.00 56.01 55.16 2ka3 n LEU 986 Cb 0.45 -0.77 -0.16 0.00 0.53 0.00 0.00 43.42 43.47 2ka3 n LEU 986 CO 0.56 -0.12 -0.43 -0.47 -1.11 0.00 0.00 177.39 175.82 2ka3 s TYR 987 N -2.77 1.02 -0.14 1.96 5.04 -0.79 -5.05 117.35 116.63 2ka3 s TYR 987 Ca -0.30 -0.34 -0.13 0.00 -2.44 0.00 0.00 57.07 53.86 2ka3 s TYR 987 Cb 0.06 -0.83 -0.05 0.00 0.35 0.00 0.00 41.96 41.49 2ka3 s TYR 987 CO 0.43 -0.24 0.29 0.20 -1.34 0.00 0.00 175.55 174.89 2ka3 s GLY 988 N 0.91 2.23 0.10 8.97 0.00 -1.26 -1.17 107.32 117.09 2ka3 s GLY 988 Ca -0.11 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.86 2ka3 s GLY 988 CO 0.01 0.35 1.40 0.99 0.00 0.00 0.00 173.10 175.85 2ka3 s ASP 989 N 0.20 6.82 -0.97 1.64 1.01 -1.21 -4.93 116.67 119.23 2ka3 s ASP 989 Ca 0.17 2.30 -0.05 0.00 0.71 0.00 0.00 52.55 55.69 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 -0.67 0.90 -2.16 0.21 0.00 0.00 175.17 173.50 2ka3 s PRO 990 N 1.35 3.62 0.00 8.23 0.04 -1.26 -4.85 135.00 142.13 2ka3 s PRO 990 Ca 0.65 -3.25 0.00 0.00 0.04 0.00 0.00 61.00 58.44 2ka3 s PRO 990 Cb -0.36 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 29.99 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 2.48 0.00 -3.88 4.56 1.02 -1.26 -4.81 120.64 118.75 2ka3 n GLU 991 Ca 0.22 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.05 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 -1.91 -4.49 -4.62 4.77 -1.26 -4.99 117.00 104.50 2ka3 n LEU 992 Ca 0.00 -0.76 -0.34 0.00 -0.03 0.00 0.00 56.01 54.89 2ka3 n LEU 992 Cb 0.00 -2.24 -0.12 0.00 -2.33 0.00 0.00 43.42 38.73 2ka3 n LEU 992 CO 0.00 0.30 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.37 2ka3 s GLU 993 N -6.57 3.41 -0.24 3.23 2.02 -1.26 -5.08 118.70 114.21 2ka3 s GLU 993 Ca 0.62 -0.56 -0.00 0.00 0.02 0.00 0.00 54.97 55.05 2ka3 s GLU 993 Cb -0.33 -2.78 0.07 0.00 0.10 0.00 0.00 34.13 31.19 2ka3 s GLU 993 CO 0.77 0.33 -0.00 -1.01 0.02 0.00 0.00 175.26 175.36 2ka3 s HIS 994 N 0.11 1.99 0.00 1.61 3.76 -1.26 -5.25 115.29 116.24 2ka3 s HIS 994 Ca -0.02 -1.57 0.00 0.00 -0.15 0.00 0.00 55.06 53.32 2ka3 s HIS 994 Cb -0.14 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2ka3 s HIS 994 CO 0.03 -0.75 0.00 0.00 -0.85 0.00 0.00 174.74 173.17