#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 -0.18 0.52 1.01 -1.26 -5.02 120.40 116.68 2ka3 s VAL 847 Ca 0.00 -0.41 0.20 0.00 0.00 0.00 0.00 61.98 61.77 2ka3 s VAL 847 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 2ka3 s VAL 847 CO 0.00 0.40 0.90 -0.81 0.00 0.00 0.00 175.10 175.58 2ka3 n PRO 848 N 4.79 0.62 -3.61 2.72 -0.04 -1.26 -5.01 135.00 133.21 2ka3 n PRO 848 Ca -0.15 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 2ka3 n PRO 848 Cb 0.50 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.72 -1.29 -5.18 0.54 7.27 -1.26 -5.00 117.38 109.74 2ka3 n GLN 849 Ca -0.04 0.62 -0.32 0.00 0.07 0.00 0.00 57.00 57.32 2ka3 n GLN 849 Cb 0.67 -1.86 -0.16 0.00 2.41 0.00 0.00 30.24 31.30 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 -2.84 2.29 0.12 1.69 1.01 -1.26 -5.03 120.40 116.37 2ka3 s VAL 850 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ka3 s VAL 850 Cb -0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2ka3 s VAL 850 CO 0.76 0.57 -0.06 0.00 0.00 0.00 0.00 175.10 176.37 2ka3 s ALA 851 N -0.27 1.11 -0.13 5.51 0.00 -1.26 -3.85 121.76 122.87 2ka3 s ALA 851 Ca -0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 2ka3 s ALA 851 Cb -0.13 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2ka3 s ALA 851 CO 0.03 -0.22 0.33 -0.59 0.00 0.00 0.00 175.76 175.30 2ka3 s PHE 852 N -3.58 -0.37 -0.30 0.00 -0.71 -1.13 -3.49 117.98 108.40 2ka3 s PHE 852 Ca 0.14 0.90 -0.13 0.00 -1.04 0.00 0.00 56.93 56.80 2ka3 s PHE 852 Cb 0.05 0.13 0.17 0.00 -1.21 0.00 0.00 43.02 42.15 2ka3 s PHE 852 CO -0.03 -0.18 0.95 0.45 -1.34 0.00 0.00 175.22 175.07 2ka3 s SER 853 N 0.20 -0.66 0.17 1.98 0.15 0.03 -2.06 113.70 113.52 2ka3 s SER 853 Ca -0.00 0.72 0.11 0.00 0.70 0.00 0.00 55.95 57.48 2ka3 s SER 853 Cb -0.02 1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 65.92 2ka3 s SER 853 CO 0.00 -0.13 -0.24 0.00 1.20 0.00 0.00 173.24 174.08 2ka3 s ALA 854 N 2.63 2.52 0.08 5.45 0.00 -0.90 -1.88 121.76 129.66 2ka3 s ALA 854 Ca 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.39 2ka3 s ALA 854 Cb -0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2ka3 s ALA 854 CO -0.16 0.47 -0.06 0.00 0.00 0.00 0.00 175.76 176.00 2ka3 s ALA 855 N -1.50 0.79 -0.02 0.00 0.00 -0.13 -3.38 121.76 117.52 2ka3 s ALA 855 Ca 0.19 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2ka3 s ALA 855 Cb -0.09 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2ka3 s ALA 855 CO 0.09 -0.24 -0.05 -1.17 0.00 0.00 0.00 175.76 174.39 2ka3 s LEU 856 N -2.80 1.65 0.00 0.00 1.98 -1.26 -2.16 118.68 116.10 2ka3 s LEU 856 Ca 0.07 -0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.19 2ka3 s LEU 856 Cb 0.04 -0.38 0.00 0.00 0.66 0.00 0.00 46.19 46.50 2ka3 s LEU 856 CO -0.05 0.01 0.00 -1.54 -1.89 0.00 0.00 176.35 172.88 2ka3 n SER 857 N 3.50 0.00 -1.87 3.68 3.41 -1.26 -4.90 113.62 116.18 2ka3 n SER 857 Ca -0.20 -0.79 -0.19 0.00 -0.26 0.00 0.00 58.87 57.44 2ka3 n SER 857 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2ka3 n SER 857 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ka3 n LEU 858 N 0.00 -1.03 -0.03 1.04 -0.00 -1.26 -4.94 117.00 110.78 2ka3 n LEU 858 Ca 0.00 0.39 -0.16 0.00 -0.00 0.00 0.00 56.01 56.24 2ka3 n LEU 858 Cb 0.39 -0.39 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2ka3 n LEU 858 CO 0.00 -1.66 0.29 1.55 -0.00 0.00 0.00 177.39 177.58 2ka3 h PRO 859 N 0.23 0.12 -2.79 1.47 0.13 -2.07 -3.48 132.00 125.61 2ka3 h PRO 859 Ca -0.15 -0.19 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 2ka3 h PRO 859 Cb 0.62 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.76 2ka3 h PRO 859 CO 0.21 1.05 0.32 -0.98 -0.23 0.00 0.00 178.00 178.37 2ka3 s ARG 860 N -2.48 1.62 0.00 0.86 1.70 -1.26 -5.13 118.95 114.26 2ka3 s ARG 860 Ca -0.17 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.19 2ka3 s ARG 860 Cb -0.01 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2ka3 s ARG 860 CO 0.74 -0.74 0.00 0.43 -1.08 0.00 0.00 175.30 174.65 2ka3 n SER 861 N -0.52 0.00 -4.97 -2.89 7.64 -1.26 -4.98 113.62 106.65 2ka3 n SER 861 Ca -0.05 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.62 2ka3 n SER 861 Cb 0.60 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2ka3 n SER 861 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ka3 s GLU 862 N 0.00 3.19 0.21 1.43 2.02 -1.26 -5.01 118.70 119.27 2ka3 s GLU 862 Ca 0.00 -0.67 0.26 0.00 0.02 0.00 0.00 54.97 54.58 2ka3 s GLU 862 Cb 0.00 -2.70 0.83 0.00 0.10 0.00 0.00 34.13 32.36 2ka3 s GLU 862 CO 0.00 -0.02 1.78 -0.35 0.02 0.00 0.00 175.26 176.69 2ka3 n PRO 863 N -1.81 0.25 0.00 0.39 -0.04 -1.26 -4.97 135.00 127.56 2ka3 n PRO 863 Ca -0.01 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2ka3 n PRO 863 Cb 0.57 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 1.26 2.51 3.76 0.55 0.00 -1.26 -5.15 105.19 106.86 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 0.06 2.42 -0.13 2.61 2.01 -1.26 -4.99 115.64 116.36 2ka3 s THR 865 Ca 0.00 0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.20 2ka3 s THR 865 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2ka3 s THR 865 CO 0.00 0.03 0.34 -0.69 -0.69 0.00 0.00 174.62 173.60 2ka3 s VAL 866 N -1.31 5.26 0.00 3.82 1.01 -1.26 -5.09 120.40 122.83 2ka3 s VAL 866 Ca 0.63 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2ka3 s VAL 866 Cb -0.38 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2ka3 s VAL 866 CO 0.48 0.40 0.00 -0.81 0.00 0.00 0.00 175.10 175.17 2ka3 n PRO 867 N 3.35 3.72 -3.74 2.72 -0.04 -1.26 -4.65 135.00 135.09 2ka3 n PRO 867 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2ka3 n PRO 867 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 2.58 -0.42 -0.06 0.54 -0.71 -1.26 -4.90 117.98 113.75 2ka3 s PHE 868 Ca 0.00 0.98 0.03 0.00 -1.04 0.00 0.00 56.93 56.90 2ka3 s PHE 868 Cb 0.00 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2ka3 s PHE 868 CO 0.00 -0.22 0.09 -0.40 -1.34 0.00 0.00 175.22 173.35 2ka3 n ASP 869 N 3.32 2.48 -4.32 1.98 5.75 -1.20 -4.89 116.55 119.66 2ka3 n ASP 869 Ca -0.16 -0.25 -0.46 0.00 -0.01 0.00 0.00 54.79 53.91 2ka3 n ASP 869 Cb 0.57 1.08 -0.02 0.00 -1.03 0.00 0.00 41.12 41.71 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 -1.80 3.74 -0.68 0.11 1.81 -0.92 -4.99 118.95 116.23 2ka3 s ARG 870 Ca -0.00 -2.73 -0.26 0.00 -1.72 0.00 0.00 55.73 51.02 2ka3 s ARG 870 Cb 0.02 -4.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.07 2ka3 s ARG 870 CO 0.12 -1.27 1.84 0.08 -0.68 0.00 0.00 175.30 175.39 2ka3 s VAL 871 N -0.34 3.40 -0.06 3.52 1.01 -1.26 -0.95 120.40 125.72 2ka3 s VAL 871 Ca 0.22 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 2ka3 s VAL 871 Cb -0.10 -4.03 -0.26 0.00 0.00 0.00 0.00 36.38 31.98 2ka3 s VAL 871 CO -0.09 -0.99 0.62 -0.07 0.00 0.00 0.00 175.10 174.57 2ka3 h LEU 872 N 16.44 0.34 -6.92 3.92 3.38 -1.74 -3.46 115.31 127.27 2ka3 h LEU 872 Ca -0.19 -0.61 0.09 0.00 0.09 0.00 0.00 57.88 57.26 2ka3 h LEU 872 Cb 1.12 -0.11 -0.24 0.00 0.09 0.00 0.00 40.66 41.53 2ka3 h LEU 872 CO 1.22 1.54 0.17 -0.22 0.09 0.00 0.00 178.44 181.24 2ka3 s LEU 873 N -6.84 -0.75 -0.34 1.67 2.96 -1.23 -5.01 118.68 109.14 2ka3 s LEU 873 Ca -0.14 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 2ka3 s LEU 873 Cb 0.07 2.01 0.32 0.00 0.50 0.00 0.00 46.19 49.09 2ka3 s LEU 873 CO 0.82 -0.17 1.34 -3.20 -1.32 0.00 0.00 176.35 173.81 2ka3 n ASN 874 N 4.36 -1.37 -0.21 3.68 2.85 -1.24 -0.79 115.26 122.54 2ka3 n ASN 874 Ca -0.16 -2.05 -0.03 0.00 -0.11 0.00 0.00 54.58 52.22 2ka3 n ASN 874 Cb 0.56 1.17 0.07 0.00 1.24 0.00 0.00 39.78 42.82 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 2.44 0.55 0.28 1.20 2.03 -1.96 -3.19 116.42 117.76 2ka3 h ASP 875 Ca -0.28 0.02 -0.33 0.00 -0.73 0.00 0.00 57.03 55.71 2ka3 h ASP 875 Cb 1.20 -0.10 -0.06 0.00 -0.83 0.00 0.00 39.33 39.55 2ka3 h ASP 875 CO -0.02 0.37 -2.00 0.61 -1.03 0.00 0.00 179.24 177.18 2ka3 n GLY 876 N -1.27 -0.97 0.00 7.15 0.00 -1.26 -5.01 105.19 103.83 2ka3 n GLY 876 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.66 2.77 5.27 -0.02 0.00 -1.21 -5.00 105.19 108.66 2ka3 n GLY 877 Ca -0.24 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.69 117.16 113.43 2ka3 n TYR 878 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2ka3 n TYR 878 Cb 0.00 0.00 -0.09 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 3.25 -0.32 -0.72 1.13 -1.26 -4.00 117.35 115.42 2ka3 s TYR 879 Ca 0.00 0.41 -0.28 0.00 -1.41 0.00 0.00 57.07 55.79 2ka3 s TYR 879 Cb 0.00 -2.56 0.01 0.00 -1.10 0.00 0.00 41.96 38.31 2ka3 s TYR 879 CO 0.00 -0.22 1.00 -0.51 -2.51 0.00 0.00 175.55 173.31 2ka3 s ASP 880 N 1.63 6.86 0.00 -0.18 1.11 -1.13 -4.93 116.67 120.03 2ka3 s ASP 880 Ca 0.15 0.93 0.21 0.00 0.18 0.00 0.00 52.55 54.03 2ka3 s ASP 880 Cb -0.16 -2.51 0.57 0.00 1.07 0.00 0.00 42.92 41.89 2ka3 s ASP 880 CO 0.10 -0.82 1.46 -0.81 1.18 0.00 0.00 175.17 176.28 2ka3 n PRO 881 N 6.72 2.12 0.01 8.23 -0.04 -1.26 -0.28 135.00 150.51 2ka3 n PRO 881 Ca 0.10 -1.69 -0.18 0.00 -0.04 0.00 0.00 63.50 61.69 2ka3 n PRO 881 Cb 0.47 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 3.31 0.22 0.00 0.54 5.08 -1.92 -3.33 114.58 118.48 2ka3 h GLU 882 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2ka3 h GLU 882 Cb 0.73 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ka3 h GLU 882 CO 0.00 1.17 -0.91 0.25 -1.00 0.00 0.00 179.01 178.52 2ka3 n THR 883 N -4.27 0.00 -1.24 1.13 -2.24 -1.25 -4.96 114.28 101.45 2ka3 n THR 883 Ca -0.13 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2ka3 n THR 883 Cb 0.72 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.41 0.64 3.33 3.38 0.00 0.62 -4.58 105.19 109.98 2ka3 n GLY 884 Ca 0.02 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 2ka3 n GLY 884 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka3 s VAL 885 N -2.00 5.02 -0.35 1.61 1.01 -0.73 -4.26 120.40 120.70 2ka3 s VAL 885 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.52 2ka3 s VAL 885 Cb 0.00 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2ka3 s VAL 885 CO 0.00 -0.69 0.27 0.12 0.00 0.00 0.00 175.10 174.79 2ka3 s PHE 886 N 1.58 3.23 -0.42 5.22 2.19 -1.23 -2.84 117.98 125.71 2ka3 s PHE 886 Ca 0.04 -0.25 -0.16 0.00 0.33 0.00 0.00 56.93 56.89 2ka3 s PHE 886 Cb -0.26 -2.52 0.02 0.00 -1.31 0.00 0.00 43.02 38.94 2ka3 s PHE 886 CO 0.04 -0.41 0.34 0.99 1.83 0.00 0.00 175.22 178.02 2ka3 s THR 887 N 1.76 5.21 -0.45 0.12 2.01 -1.26 -3.66 115.64 119.38 2ka3 s THR 887 Ca 0.07 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 2ka3 s THR 887 Cb -0.18 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.39 2ka3 s THR 887 CO 0.11 -0.35 0.73 0.00 -0.69 0.00 0.00 174.62 174.41 2ka3 s ALA 888 N 1.81 3.31 -1.31 7.40 0.00 -1.24 -4.72 121.76 127.01 2ka3 s ALA 888 Ca 0.07 -1.08 0.22 0.00 0.00 0.00 0.00 51.96 51.17 2ka3 s ALA 888 Cb -0.19 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2ka3 s ALA 888 CO 0.11 -1.87 1.05 -0.35 0.00 0.00 0.00 175.76 174.69 2ka3 n PRO 889 N 6.54 0.36 -0.21 0.00 -0.04 -1.26 -1.88 135.00 138.51 2ka3 n PRO 889 Ca 0.01 -0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 2ka3 n PRO 889 Cb 0.48 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.70 -1.82 -2.56 1.53 3.38 -1.96 -3.47 115.31 111.11 2ka3 h LEU 890 Ca 0.00 0.26 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 2ka3 h LEU 890 Cb 0.57 0.78 0.11 0.00 0.09 0.00 0.00 40.66 42.20 2ka3 h LEU 890 CO 0.00 -0.35 -0.56 0.00 0.09 0.00 0.00 178.44 177.62 2ka3 n ALA 891 N -3.14 -2.51 -3.42 1.53 0.00 -1.26 -4.85 120.51 106.86 2ka3 n ALA 891 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.52 2ka3 n ALA 891 Cb 0.33 -3.82 0.01 0.00 0.00 0.00 0.00 19.45 15.96 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 0.73 3.63 0.00 0.00 -1.26 -3.50 105.19 103.29 2ka3 n GLY 892 Ca -0.06 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 4.10 0.27 1.61 3.52 -0.34 -4.94 118.95 121.15 2ka3 s ARG 893 Ca 0.12 0.26 0.10 0.00 -0.13 0.00 0.00 55.73 56.07 2ka3 s ARG 893 Cb -0.01 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2ka3 s ARG 893 CO 0.01 -0.24 -0.03 1.52 -0.81 0.00 0.00 175.30 175.75 2ka3 s TYR 894 N 1.93 2.64 -0.28 5.12 -0.85 -1.26 -1.60 117.35 123.05 2ka3 s TYR 894 Ca 0.20 -0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.43 2ka3 s TYR 894 Cb -0.15 -1.16 -0.02 0.00 0.38 0.00 0.00 41.96 41.00 2ka3 s TYR 894 CO 0.09 0.63 0.12 -1.17 -1.52 0.00 0.00 175.55 173.70 2ka3 s LEU 895 N -3.64 3.82 -0.09 -3.49 2.96 -0.39 -4.76 118.68 113.09 2ka3 s LEU 895 Ca 0.31 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2ka3 s LEU 895 Cb -0.06 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2ka3 s LEU 895 CO 0.19 -0.11 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.81 2ka3 s LEU 896 N 1.62 3.06 -0.14 -0.68 0.20 -1.26 -1.96 118.68 119.53 2ka3 s LEU 896 Ca 0.05 -0.11 -0.05 0.00 0.69 0.00 0.00 54.13 54.72 2ka3 s LEU 896 Cb -0.16 -1.68 0.07 0.00 -0.43 0.00 0.00 46.19 43.99 2ka3 s LEU 896 CO 0.05 0.29 0.27 -0.44 -0.29 0.00 0.00 176.35 176.24 2ka3 s SER 897 N -0.40 0.41 0.15 3.68 0.01 -1.23 -4.82 113.70 111.50 2ka3 s SER 897 Ca 0.06 0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.90 2ka3 s SER 897 Cb -0.12 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 2ka3 s SER 897 CO 0.02 -0.25 0.09 0.00 0.41 0.00 0.00 173.24 173.51 2ka3 s ALA 898 N 2.42 3.46 -0.24 1.44 0.00 -1.26 -3.16 121.76 124.42 2ka3 s ALA 898 Ca 0.02 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 2ka3 s ALA 898 Cb -0.12 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2ka3 s ALA 898 CO -0.09 0.55 0.02 0.08 0.00 0.00 0.00 175.76 176.31 2ka3 s VAL 899 N -1.66 3.78 -0.24 0.00 1.01 -1.18 -5.05 120.40 117.05 2ka3 s VAL 899 Ca 0.29 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2ka3 s VAL 899 Cb -0.10 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2ka3 s VAL 899 CO 0.22 0.32 0.19 -0.76 0.00 0.00 0.00 175.10 175.07 2ka3 s LEU 900 N 1.52 4.12 0.02 3.92 2.01 -1.26 -4.62 118.68 124.39 2ka3 s LEU 900 Ca 0.05 0.16 -0.29 0.00 0.01 0.00 0.00 54.13 54.06 2ka3 s LEU 900 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 2ka3 s LEU 900 CO 0.00 0.04 0.92 -0.89 1.01 0.00 0.00 176.35 177.43 2ka3 s THR 901 N 1.12 4.78 0.07 5.49 2.01 -1.26 -5.00 115.64 122.85 2ka3 s THR 901 Ca 0.09 1.94 -0.34 0.00 0.31 0.00 0.00 61.69 63.69 2ka3 s THR 901 Cb -0.14 -4.26 -0.18 0.00 0.01 0.00 0.00 72.50 67.93 2ka3 s THR 901 CO 0.05 0.23 1.61 1.23 -0.69 0.00 0.00 174.62 177.06 2ka3 h GLY 902 N 6.36 -1.03 -6.48 4.40 0.00 -2.00 -3.48 103.07 100.84 2ka3 h GLY 902 Ca -0.42 0.41 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2ka3 h GLY 902 CO 0.74 -0.37 -1.05 1.42 0.00 0.00 0.00 176.54 177.28 2ka3 n HIS 903 N -5.52 -2.02 0.48 5.60 8.25 -1.26 -4.70 115.22 116.06 2ka3 n HIS 903 Ca -0.13 0.84 0.10 0.00 -0.26 0.00 0.00 57.72 58.27 2ka3 n HIS 903 Cb 0.40 -2.21 0.43 0.00 1.12 0.00 0.00 29.99 29.73 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 -1.76 0.12 0.26 -0.41 1.85 -1.26 -3.56 116.66 111.89 2ka3 n ARG 904 Ca -0.23 0.33 0.16 0.00 -1.00 0.00 0.00 57.85 57.10 2ka3 n ARG 904 Cb 0.63 -1.72 0.51 0.00 -1.05 0.00 0.00 32.46 30.83 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 -1.90 -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 0.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.32 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 -3.09 0.00 0.00 5.26 0.28 -1.23 -5.16 120.64 116.70 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 0.38 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.25 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 -1.07 0.00 -3.66 3.44 4.81 -1.26 -4.83 118.16 115.60 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 -0.12 5.36 -0.21 3.15 1.01 -1.26 -3.48 120.40 124.85 2ka3 s VAL 908 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 2ka3 s VAL 908 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2ka3 s VAL 908 CO 0.00 0.37 0.01 -0.70 0.00 0.00 0.00 175.10 174.78 2ka3 s GLU 909 N 0.82 3.61 -0.11 2.72 2.56 -0.92 -4.36 118.70 123.02 2ka3 s GLU 909 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 54.97 54.53 2ka3 s GLU 909 Cb -0.13 -3.13 0.04 0.00 2.00 0.00 0.00 34.13 32.91 2ka3 s GLU 909 CO 0.03 -0.04 0.00 0.00 -0.56 0.00 0.00 175.26 174.69 2ka3 s ALA 910 N 1.16 0.87 -0.39 6.30 0.00 -1.26 -2.97 121.76 125.47 2ka3 s ALA 910 Ca 0.03 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 2ka3 s ALA 910 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.09 2ka3 s ALA 910 CO 0.02 -0.68 0.78 0.08 0.00 0.00 0.00 175.76 175.96 2ka3 s VAL 911 N 1.90 4.71 0.41 0.00 1.01 -1.25 -3.30 120.40 123.89 2ka3 s VAL 911 Ca 0.03 0.73 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 2ka3 s VAL 911 Cb -0.14 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2ka3 s VAL 911 CO -0.06 -0.51 1.42 -0.76 0.00 0.00 0.00 175.10 175.18 2ka3 s LEU 912 N 3.14 4.23 0.06 3.92 1.43 -0.97 -3.68 118.68 126.80 2ka3 s LEU 912 Ca 0.30 2.90 0.08 0.00 -1.03 0.00 0.00 54.13 56.38 2ka3 s LEU 912 Cb -0.13 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 2ka3 s LEU 912 CO 0.19 -0.96 -0.20 -0.55 0.23 0.00 0.00 176.35 175.05 2ka3 s SER 913 N -0.42 3.69 0.29 2.29 0.15 -0.84 -3.80 113.70 115.06 2ka3 s SER 913 Ca 0.56 -0.49 -0.28 0.00 0.70 0.00 0.00 55.95 56.45 2ka3 s SER 913 Cb -0.43 -0.53 -0.10 0.00 -1.71 0.00 0.00 66.02 63.25 2ka3 s SER 913 CO 0.57 0.24 0.95 0.00 1.20 0.00 0.00 173.24 176.20 2ka3 s ARG 914 N -1.53 4.67 0.00 5.44 3.03 -1.26 -2.62 118.95 126.68 2ka3 s ARG 914 Ca 0.15 1.41 0.00 0.00 2.03 0.00 0.00 55.73 59.31 2ka3 s ARG 914 Cb -0.10 -2.98 0.00 0.00 -1.03 0.00 0.00 34.95 30.84 2ka3 s ARG 914 CO 0.05 0.35 0.00 0.45 -1.13 0.00 0.00 175.30 175.02 2ka3 n SER 915 N 0.89 -2.42 0.00 -2.89 2.88 -1.26 -4.72 113.62 106.10 2ka3 n SER 915 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2ka3 n SER 915 Cb 0.49 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.37 0.00 -1.38 -3.46 3.02 -1.26 -5.17 115.26 107.38 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 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2ka3 n ASN 916 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka3 n GLN 917 N -0.34 -2.94 0.00 3.52 6.02 -1.08 -4.94 117.38 117.63 2ka3 n GLN 917 Ca 0.00 2.26 0.00 0.00 -0.01 0.00 0.00 57.00 59.25 2ka3 n GLN 917 Cb 0.00 -3.54 0.00 0.00 1.02 0.00 0.00 30.24 27.72 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 -4.16 3.28 3.01 1.08 0.00 -1.26 -4.82 105.19 102.32 2ka3 n GLY 918 Ca -0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -9.96 -3.18 1.61 0.31 -1.26 -1.98 118.33 103.86 2ka3 n VAL 919 Ca 0.00 0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 64.31 2ka3 n VAL 919 Cb 0.00 -6.73 -0.07 0.00 -0.91 0.00 0.00 33.84 26.13 2ka3 n VAL 919 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka3 s ALA 920 N -2.69 3.46 -0.20 3.52 0.00 -1.26 -3.05 121.76 121.53 2ka3 s ALA 920 Ca 0.16 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.23 2ka3 s ALA 920 Cb -0.04 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 19.79 2ka3 s ALA 920 CO 0.78 -1.32 -0.08 2.89 0.00 0.00 0.00 175.76 178.03 2ka3 n ARG 921 N 5.90 0.82 -3.32 0.00 1.85 -1.24 -4.34 116.66 116.32 2ka3 n ARG 921 Ca -0.03 0.06 -0.46 0.00 -1.00 0.00 0.00 57.85 56.43 2ka3 n ARG 921 Cb 0.49 -1.46 -0.01 0.00 -1.05 0.00 0.00 32.46 30.43 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 -2.45 5.85 -0.17 8.89 1.01 -1.26 -4.39 120.40 127.88 2ka3 s VAL 922 Ca -0.20 -3.10 -0.13 0.00 0.00 0.00 0.00 61.98 58.54 2ka3 s VAL 922 Cb 0.07 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2ka3 s VAL 922 CO 0.63 -1.16 0.28 -0.62 0.00 0.00 0.00 175.10 174.23 2ka3 s ASP 923 N 1.63 6.39 -0.13 3.32 2.15 -1.26 -3.85 116.67 124.93 2ka3 s ASP 923 Ca 0.27 0.46 -0.04 0.00 0.43 0.00 0.00 52.55 53.67 2ka3 s ASP 923 Cb -0.10 -2.17 0.06 0.00 -0.30 0.00 0.00 42.92 40.41 2ka3 s ASP 923 CO -0.08 0.09 0.16 -0.55 -0.17 0.00 0.00 175.17 174.62 2ka3 s SER 924 N 0.55 1.16 -1.00 -0.34 0.15 -1.16 -5.05 113.70 108.00 2ka3 s SER 924 Ca 0.15 0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.72 2ka3 s SER 924 Cb -0.13 0.22 0.23 0.00 -1.71 0.00 0.00 66.02 64.63 2ka3 s SER 924 CO 0.04 -0.28 1.03 -0.83 1.20 0.00 0.00 173.24 174.39 2ka3 s GLY 925 N 2.28 2.81 0.00 9.45 0.00 -1.26 -2.16 107.32 118.44 2ka3 s GLY 925 Ca 0.04 -3.50 0.02 0.00 0.00 0.00 0.00 44.72 41.28 2ka3 s GLY 925 CO -0.08 1.45 0.59 0.61 0.00 0.00 0.00 173.10 175.67 2ka3 n GLY 926 N 3.58 -0.08 0.16 0.20 0.00 -1.23 -5.04 105.19 102.79 2ka3 n GLY 926 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.96 0.00 -5.14 2.61 -1.04 -1.26 -3.98 114.28 104.50 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 2.24 0.11 -4.42 1.43 -1.26 -5.01 118.68 111.78 2ka3 s LEU 947 Ca 0.00 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2ka3 s LEU 947 Cb 0.00 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2ka3 s LEU 947 CO 0.00 0.22 0.01 -0.83 0.23 0.00 0.00 176.35 175.98 2ka3 s GLY 948 N 0.01 0.87 -0.07 -3.19 0.00 -1.26 -5.02 107.32 98.66 2ka3 s GLY 948 Ca -0.08 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.26 2ka3 s GLY 948 CO 0.05 -1.39 -0.18 -1.34 0.00 0.00 0.00 173.10 170.24 2ka3 s VAL 949 N -3.90 1.57 0.01 1.40 -7.23 -1.26 -4.00 120.40 106.99 2ka3 s VAL 949 Ca 0.18 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2ka3 s VAL 949 Cb 0.07 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 2ka3 s VAL 949 CO -0.02 0.45 -0.05 0.72 -0.31 0.00 0.00 175.10 175.90 2ka3 s PHE 950 N 0.41 0.42 -0.04 2.82 -0.12 -1.26 -5.03 117.98 115.17 2ka3 s PHE 950 Ca -0.14 -0.18 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 2ka3 s PHE 950 Cb -0.16 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 41.94 2ka3 s PHE 950 CO 0.05 -0.03 -0.05 0.43 -0.05 0.00 0.00 175.22 175.58 2ka3 n SER 951 N 2.60 2.17 -0.08 1.98 7.64 -1.26 -4.53 113.62 122.13 2ka3 n SER 951 Ca -0.15 0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.60 2ka3 n SER 951 Cb 0.58 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.07 0.00 0.00 -3.43 5.85 -1.95 -3.45 115.31 112.26 2ka3 h LEU 952 Ca -0.10 -0.40 -0.28 0.00 0.84 0.00 0.00 57.88 57.94 2ka3 h LEU 952 Cb 1.13 0.00 0.09 0.00 0.37 0.00 0.00 40.66 42.25 2ka3 h LEU 952 CO -0.04 1.12 0.21 2.30 -0.34 0.00 0.00 178.44 181.69 2ka3 n ILE 953 N -4.54 0.00 -2.93 4.05 -5.35 -1.26 -4.26 119.36 105.06 2ka3 n ILE 953 Ca -0.19 -0.74 -0.04 0.00 -0.27 0.00 0.00 62.75 61.51 2ka3 n ILE 953 Cb 0.47 -1.50 -0.00 0.00 -1.74 0.00 0.00 39.64 36.87 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 -1.27 -0.89 7.28 -0.00 -1.26 -4.95 118.68 117.59 2ka3 s LEU 954 Ca 0.46 -1.56 -0.24 0.00 -0.00 0.00 0.00 54.13 52.79 2ka3 s LEU 954 Cb -0.02 1.74 -0.01 0.00 -0.00 0.00 0.00 46.19 47.91 2ka3 s LEU 954 CO 0.32 -0.10 1.73 -2.16 -0.00 0.00 0.00 176.35 176.14 2ka3 s PRO 955 N 1.10 2.94 0.06 1.48 0.04 -1.26 -4.93 135.00 134.44 2ka3 s PRO 955 Ca 0.26 -0.45 0.09 0.00 0.04 0.00 0.00 61.00 60.94 2ka3 s PRO 955 Cb -0.01 -5.01 -0.03 0.00 0.04 0.00 0.00 34.50 29.49 2ka3 s PRO 955 CO -0.06 -2.83 -0.24 -0.51 0.04 0.00 0.00 177.00 173.39 2ka3 s LEU 956 N 8.00 2.20 0.28 -3.56 1.02 -1.26 -5.06 118.68 120.30 2ka3 s LEU 956 Ca 0.59 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 54.14 2ka3 s LEU 956 Cb -0.05 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.97 2ka3 s LEU 956 CO 0.00 0.20 0.47 -1.10 0.02 0.00 0.00 176.35 175.94 2ka3 s GLN 957 N -1.41 3.50 -0.01 1.70 -0.21 -1.26 -5.01 119.66 116.96 2ka3 s GLN 957 Ca 0.10 -0.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.80 2ka3 s GLN 957 Cb -0.10 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.11 2ka3 s GLN 957 CO 0.03 0.28 1.41 0.00 -2.12 0.00 0.00 175.29 174.89 2ka3 s ALA 958 N -2.11 3.59 0.00 6.09 0.00 -1.26 -3.09 121.76 124.98 2ka3 s ALA 958 Ca 0.39 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.22 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 0.32 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2ka3 n GLY 959 N 3.67 1.44 3.72 0.00 0.00 -0.79 -5.06 105.19 108.18 2ka3 n GLY 959 Ca 0.13 0.00 -0.29 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 -2.24 2.64 -0.05 1.61 1.11 -1.18 -4.69 116.67 113.86 2ka3 s ASP 960 Ca 0.00 0.92 -0.02 0.00 0.18 0.00 0.00 52.55 53.63 2ka3 s ASP 960 Cb 0.00 -1.44 0.04 0.00 1.07 0.00 0.00 42.92 42.59 2ka3 s ASP 960 CO 0.00 -3.09 0.11 -0.89 1.18 0.00 0.00 175.17 172.48 2ka3 s THR 961 N -3.16 -0.09 0.15 -1.27 2.01 -1.26 -3.67 115.64 108.35 2ka3 s THR 961 Ca 0.66 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.84 2ka3 s THR 961 Cb -0.15 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 2ka3 s THR 961 CO 0.55 0.10 0.40 0.68 -0.69 0.00 0.00 174.62 175.66 2ka3 s VAL 962 N 1.39 5.13 -0.02 3.82 -7.23 -1.24 -4.54 120.40 117.71 2ka3 s VAL 962 Ca -0.06 0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2ka3 s VAL 962 Cb -0.12 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.21 2ka3 s VAL 962 CO -0.05 0.05 0.05 0.00 -0.31 0.00 0.00 175.10 174.84 2ka3 s VAL 964 N 0.30 5.25 -0.15 0.00 1.01 -1.26 -2.30 120.40 123.25 2ka3 s VAL 964 Ca -0.02 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2ka3 s VAL 964 Cb -0.03 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ka3 s VAL 964 CO -0.01 0.36 0.02 -0.62 0.00 0.00 0.00 175.10 174.85 2ka3 s ASP 965 N 0.55 5.30 -0.55 3.32 2.15 -1.21 -4.91 116.67 121.32 2ka3 s ASP 965 Ca 0.21 0.05 0.06 0.00 0.43 0.00 0.00 52.55 53.30 2ka3 s ASP 965 Cb -0.14 -1.79 0.22 0.00 -0.30 0.00 0.00 42.92 40.91 2ka3 s ASP 965 CO 0.07 0.23 0.58 -0.11 -0.17 0.00 0.00 175.17 175.78 2ka3 n LEU 966 N 3.12 2.06 -3.15 -1.34 7.94 -1.26 -4.14 117.00 120.23 2ka3 n LEU 966 Ca -0.17 -5.05 0.04 0.00 -1.11 0.00 0.00 56.01 49.72 2ka3 n LEU 966 Cb 0.53 -0.16 -0.00 0.00 0.53 0.00 0.00 43.42 44.31 2ka3 n LEU 966 CO 0.33 1.98 0.23 -0.69 -1.11 0.00 0.00 177.39 178.13 2ka3 s VAL 967 N -1.59 -0.80 -0.47 1.96 1.01 -1.26 -5.06 120.40 114.19 2ka3 s VAL 967 Ca 0.35 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2ka3 s VAL 967 Cb 0.10 -0.87 0.22 0.00 0.00 0.00 0.00 36.38 35.83 2ka3 s VAL 967 CO -0.09 0.00 0.70 0.23 0.00 0.00 0.00 175.10 175.93 2ka3 n MET 968 N 5.37 0.62 0.00 2.72 2.81 -1.26 -5.05 117.12 122.33 2ka3 n MET 968 Ca 0.03 -2.31 0.00 0.00 -1.81 0.00 0.00 57.70 53.61 2ka3 n MET 968 Cb 0.54 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 2.13 3.30 0.01 3.03 0.00 -1.26 -4.25 105.19 108.15 2ka3 n GLY 969 Ca 0.17 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.81 3.44 -3.02 1.61 7.27 -1.26 -4.83 117.38 119.78 2ka3 n GLN 970 Ca 0.00 -0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.62 2ka3 n GLN 970 Cb 0.00 -1.07 -0.02 0.00 2.41 0.00 0.00 30.24 31.56 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 -4.24 5.42 0.00 1.69 2.96 -1.26 -4.91 118.68 118.34 2ka3 s LEU 971 Ca -0.02 -2.45 0.00 0.00 -0.22 0.00 0.00 54.13 51.45 2ka3 s LEU 971 Cb 0.01 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.34 2ka3 s LEU 971 CO 0.12 -0.87 0.00 0.00 -1.32 0.00 0.00 176.35 174.28 2ka3 n ALA 972 N 5.70 0.00 -2.38 5.97 0.00 -1.26 -5.15 120.51 123.39 2ka3 n ALA 972 Ca 0.25 0.00 -0.20 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 -1.49 1.84 -0.10 0.00 2.46 -1.26 -5.13 115.29 111.61 2ka3 s HIS 973 Ca 0.00 -0.54 -0.17 0.00 0.47 0.00 0.00 55.06 54.82 2ka3 s HIS 973 Cb 0.00 -0.86 -0.05 0.00 -0.13 0.00 0.00 32.58 31.55 2ka3 s HIS 973 CO 0.00 0.42 0.45 0.45 -2.47 0.00 0.00 174.74 173.59 2ka3 s SER 974 N -3.36 6.69 -0.04 9.88 0.15 -1.26 -5.06 113.70 120.70 2ka3 s SER 974 Ca 0.24 0.82 -0.27 0.00 0.70 0.00 0.00 55.95 57.44 2ka3 s SER 974 Cb -0.01 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.09 2ka3 s SER 974 CO 0.09 0.08 0.59 -0.70 1.20 0.00 0.00 173.24 174.50 2ka3 s GLU 975 N 0.25 0.98 -0.20 5.44 -6.30 -1.26 -5.15 118.70 112.46 2ka3 s GLU 975 Ca 0.24 0.14 0.00 0.00 -2.50 0.00 0.00 54.97 52.86 2ka3 s GLU 975 Cb -0.15 0.46 0.05 0.00 0.00 0.00 0.00 34.13 34.48 2ka3 s GLU 975 CO 0.10 -0.30 -0.07 -1.83 0.02 0.00 0.00 175.26 173.18 2ka3 s GLU 976 N -1.27 1.75 0.51 4.30 4.04 -1.26 -5.14 118.70 121.63 2ka3 s GLU 976 Ca -0.11 -0.80 0.07 0.00 0.04 0.00 0.00 54.97 54.16 2ka3 s GLU 976 Cb -0.01 -2.37 0.05 0.00 0.02 0.00 0.00 34.13 31.82 2ka3 s GLU 976 CO 0.08 -0.48 0.70 -1.25 -1.84 0.00 0.00 175.26 172.48 2ka3 s PRO 977 N 1.46 2.53 -0.02 -4.83 0.04 -1.26 -5.12 135.00 127.79 2ka3 s PRO 977 Ca -0.02 -1.29 0.06 0.00 0.04 0.00 0.00 61.00 59.79 2ka3 s PRO 977 Cb -0.17 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 2ka3 s PRO 977 CO -0.07 -0.62 -0.21 -0.51 0.04 0.00 0.00 177.00 175.62 2ka3 s LEU 978 N -4.58 2.35 0.00 -3.56 1.02 -1.26 -5.05 118.68 107.61 2ka3 s LEU 978 Ca 0.58 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2ka3 s LEU 978 Cb -0.08 -1.43 -0.00 0.00 0.02 0.00 0.00 46.19 44.69 2ka3 s LEU 978 CO 0.37 0.32 -0.01 0.42 0.02 0.00 0.00 176.35 177.47 2ka3 s THR 979 N -0.70 0.03 -0.11 5.49 -4.23 -1.26 -4.87 115.64 110.00 2ka3 s THR 979 Ca 0.11 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.49 2ka3 s THR 979 Cb -0.10 -0.07 0.00 0.00 1.34 0.00 0.00 72.50 73.67 2ka3 s THR 979 CO 0.00 -0.08 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.14 2ka3 s ILE 980 N -0.26 2.12 -0.28 2.99 -1.09 -1.26 -4.46 121.20 118.97 2ka3 s ILE 980 Ca -0.03 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 2ka3 s ILE 980 Cb -0.02 -1.82 0.08 0.00 -1.58 0.00 0.00 42.46 39.12 2ka3 s ILE 980 CO -0.00 0.56 0.00 0.12 -1.23 0.00 0.00 174.94 174.39 2ka3 s PHE 981 N 0.40 2.62 0.26 3.97 2.19 -1.22 -3.13 117.98 123.08 2ka3 s PHE 981 Ca -0.17 -2.08 0.06 0.00 0.33 0.00 0.00 56.93 55.06 2ka3 s PHE 981 Cb -0.18 -1.96 -0.03 0.00 -1.31 0.00 0.00 43.02 39.55 2ka3 s PHE 981 CO 0.07 -0.84 0.35 -1.54 1.83 0.00 0.00 175.22 175.09 2ka3 s SER 982 N 1.31 6.11 0.00 6.13 1.04 -1.19 -2.12 113.70 124.98 2ka3 s SER 982 Ca 0.02 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2ka3 s SER 982 Cb -0.19 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.27 2ka3 s SER 982 CO -0.11 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2ka3 n GLY 983 N -1.41 -0.26 3.36 7.32 0.00 -0.87 -3.57 105.19 109.75 2ka3 n GLY 983 Ca -0.07 0.80 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 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 2.29 -0.07 4.61 0.00 -0.83 -2.83 121.76 124.93 2ka3 s ALA 984 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 2ka3 s ALA 984 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2ka3 s ALA 984 CO 0.00 0.54 1.23 -1.17 0.00 0.00 0.00 175.76 176.36 2ka3 s LEU 985 N -1.25 4.27 -0.20 0.00 2.96 -1.25 -1.26 118.68 121.96 2ka3 s LEU 985 Ca 0.12 1.82 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 2ka3 s LEU 985 Cb -0.10 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 2ka3 s LEU 985 CO 0.02 -0.63 -0.30 -0.11 -1.32 0.00 0.00 176.35 174.01 2ka3 n LEU 986 N 5.48 1.92 -3.94 -0.68 7.94 -1.11 -4.91 117.00 121.69 2ka3 n LEU 986 Ca 0.12 0.38 -0.23 0.00 -1.11 0.00 0.00 56.01 55.17 2ka3 n LEU 986 Cb 0.46 -0.79 -0.17 0.00 0.53 0.00 0.00 43.42 43.45 2ka3 n LEU 986 CO 0.56 -0.09 -0.44 -0.47 -1.11 0.00 0.00 177.39 175.84 2ka3 s TYR 987 N -2.70 1.14 -0.13 1.96 5.04 -0.63 -5.04 117.35 117.00 2ka3 s TYR 987 Ca -0.29 -0.42 -0.16 0.00 -2.44 0.00 0.00 57.07 53.76 2ka3 s TYR 987 Cb 0.06 -0.92 -0.04 0.00 0.35 0.00 0.00 41.96 41.41 2ka3 s TYR 987 CO 0.42 -0.28 0.40 0.20 -1.34 0.00 0.00 175.55 174.95 2ka3 s GLY 988 N 0.97 2.32 0.13 8.97 0.00 -1.26 -1.19 107.32 117.25 2ka3 s GLY 988 Ca -0.10 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.02 2ka3 s GLY 988 CO 0.00 0.59 1.36 0.99 0.00 0.00 0.00 173.10 176.04 2ka3 s ASP 989 N 0.45 6.86 -0.95 1.64 1.01 -1.23 -4.96 116.67 119.49 2ka3 s ASP 989 Ca 0.22 2.32 -0.04 0.00 0.71 0.00 0.00 52.55 55.75 2ka3 s ASP 989 Cb -0.14 -2.59 0.24 0.00 1.01 0.00 0.00 42.92 41.43 2ka3 s ASP 989 CO 0.08 -0.61 0.87 -2.16 0.21 0.00 0.00 175.17 173.56 2ka3 s PRO 990 N 0.83 3.55 0.00 8.23 0.04 -1.26 -4.86 135.00 141.54 2ka3 s PRO 990 Ca 0.62 -3.21 0.00 0.00 0.04 0.00 0.00 61.00 58.45 2ka3 s PRO 990 Cb -0.36 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2ka3 s PRO 990 CO 0.32 -1.25 0.00 0.39 0.04 0.00 0.00 177.00 176.49 2ka3 n GLU 991 N 2.53 0.00 -4.09 4.56 1.02 -1.26 -4.81 120.64 118.60 2ka3 n GLU 991 Ca 0.21 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.02 2ka3 n GLU 991 Cb 0.38 0.00 -0.00 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 -4.45 -4.62 4.77 -1.26 -5.00 117.00 104.35 2ka3 n LEU 992 Ca 0.00 -0.90 -0.33 0.00 -0.03 0.00 0.00 56.01 54.74 2ka3 n LEU 992 Cb 0.00 -2.30 -0.13 0.00 -2.33 0.00 0.00 43.42 38.66 2ka3 n LEU 992 CO 0.00 0.37 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.44 2ka3 s GLU 993 N -6.79 3.57 -0.23 3.23 2.02 -1.26 -5.08 118.70 114.16 2ka3 s GLU 993 Ca 0.71 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 2ka3 s GLU 993 Cb -0.38 -2.81 0.06 0.00 0.10 0.00 0.00 34.13 31.10 2ka3 s GLU 993 CO 0.88 0.23 -0.03 -1.01 0.02 0.00 0.00 175.26 175.36 2ka3 s HIS 994 N 0.35 2.03 0.00 1.61 3.76 -1.26 -5.26 115.29 116.53 2ka3 s HIS 994 Ca -0.07 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.32 2ka3 s HIS 994 Cb -0.15 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.10 2ka3 s HIS 994 CO 0.04 -0.73 0.00 0.00 -0.85 0.00 0.00 174.74 173.20