#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oii s VAL 847 N 0.00 0.47 -0.09 0.52 1.01 -1.26 -4.98 120.40 116.07 2oii s VAL 847 Ca 0.00 -0.97 0.30 0.00 0.00 0.00 0.00 61.98 61.32 2oii s VAL 847 Cb 0.00 -1.27 0.34 0.00 0.00 0.00 0.00 36.38 35.45 2oii s VAL 847 CO 0.00 -0.57 1.90 1.55 0.00 0.00 0.00 175.10 177.98 2oii h PRO 848 N 8.23 0.00 -5.81 2.72 0.13 -2.02 -3.47 132.00 131.79 2oii h PRO 848 Ca -0.16 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.76 2oii h PRO 848 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2oii h PRO 848 CO 0.42 0.00 -0.45 0.94 -0.23 0.00 0.00 178.00 178.68 2oii n GLN 849 N -2.79 -0.63 -5.26 0.86 7.27 -1.26 -4.93 117.38 110.64 2oii n GLN 849 Ca 0.01 0.26 -0.31 0.00 0.07 0.00 0.00 57.00 57.04 2oii n GLN 849 Cb 0.27 -0.86 -0.16 0.00 2.41 0.00 0.00 30.24 31.90 2oii n GLN 849 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2oii s VAL 850 N -2.52 2.01 0.20 1.69 1.01 -1.26 -5.10 120.40 116.43 2oii s VAL 850 Ca 0.01 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2oii s VAL 850 Cb -0.01 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2oii s VAL 850 CO 0.36 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.88 2oii s ALA 851 N -0.36 2.05 -0.26 5.51 0.00 -1.26 -3.18 121.76 124.26 2oii s ALA 851 Ca 0.03 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.19 2oii s ALA 851 Cb -0.12 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 22.97 2oii s ALA 851 CO 0.01 0.11 0.65 -0.59 0.00 0.00 0.00 175.76 175.94 2oii s PHE 852 N -2.79 -0.98 -0.29 0.00 -0.12 -0.89 -3.79 117.98 109.11 2oii s PHE 852 Ca 0.22 2.00 -0.20 0.00 -0.05 0.00 0.00 56.93 58.90 2oii s PHE 852 Cb -0.02 0.56 0.18 0.00 -0.63 0.00 0.00 43.02 43.11 2oii s PHE 852 CO 0.07 -0.49 1.23 0.45 -0.05 0.00 0.00 175.22 176.43 2oii s SER 853 N 1.51 -0.20 0.09 1.98 0.15 -0.82 -1.33 113.70 115.09 2oii s SER 853 Ca -0.09 0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.93 2oii s SER 853 Cb -0.05 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2oii s SER 853 CO -0.17 -0.05 -0.10 0.00 1.20 0.00 0.00 173.24 174.11 2oii s ALA 854 N 0.71 1.04 0.02 5.45 0.00 -1.14 -3.24 121.76 124.61 2oii s ALA 854 Ca -0.03 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 50.85 2oii s ALA 854 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2oii s ALA 854 CO -0.12 -0.05 -0.21 0.00 0.00 0.00 0.00 175.76 175.38 2oii s ALA 855 N -2.42 1.77 -0.08 0.00 0.00 -1.00 -3.43 121.76 116.61 2oii s ALA 855 Ca 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2oii s ALA 855 Cb -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2oii s ALA 855 CO -0.00 0.41 -0.09 -1.17 0.00 0.00 0.00 175.76 174.91 2oii s LEU 856 N -0.88 3.02 0.00 0.00 1.98 -1.26 -2.20 118.68 119.34 2oii s LEU 856 Ca 0.08 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.21 2oii s LEU 856 Cb -0.09 -1.66 0.00 0.00 0.66 0.00 0.00 46.19 45.11 2oii s LEU 856 CO 0.01 0.32 0.38 -1.54 -1.89 0.00 0.00 176.35 173.63 2oii n SER 857 N 2.52 0.00 -3.30 3.68 3.41 -1.26 -4.90 113.62 113.76 2oii n SER 857 Ca -0.18 -1.12 -0.30 0.00 -0.26 0.00 0.00 58.87 57.01 2oii n SER 857 Cb 0.53 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2oii n SER 857 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oii n LEU 858 N 0.00 -4.84 0.00 1.04 -0.00 -1.26 -4.94 117.00 107.00 2oii n LEU 858 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2oii n LEU 858 Cb 0.52 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2oii n LEU 858 CO 0.00 -4.81 0.02 -0.81 -0.00 0.00 0.00 177.39 171.79 2oii n PRO 859 N 2.06 0.00 0.00 1.47 -0.04 -1.26 -5.03 135.00 132.20 2oii n PRO 859 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2oii n PRO 859 Cb 0.47 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 2oii n PRO 859 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2oii n ARG 860 N -0.04 2.06 -1.09 0.54 1.85 -1.26 -5.08 116.66 113.65 2oii n ARG 860 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2oii n ARG 860 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2oii n ARG 860 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2oii n SER 861 N 0.00 0.20 -4.89 2.89 7.64 -1.26 -4.96 113.62 113.24 2oii n SER 861 Ca 0.00 0.81 -0.23 0.00 1.01 0.00 0.00 58.87 60.46 2oii n SER 861 Cb 0.00 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2oii n SER 861 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2oii s GLU 862 N 0.51 3.20 0.18 1.43 2.12 -1.26 -5.00 118.70 119.87 2oii s GLU 862 Ca 0.66 -0.84 0.23 0.00 0.36 0.00 0.00 54.97 55.38 2oii s GLU 862 Cb -0.92 -2.77 0.90 0.00 0.26 0.00 0.00 34.13 31.60 2oii s GLU 862 CO 0.44 0.45 1.70 -0.35 -0.54 0.00 0.00 175.26 176.96 2oii n PRO 863 N -1.01 0.16 0.00 4.30 -0.04 -1.26 -4.94 135.00 132.21 2oii n PRO 863 Ca -0.08 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2oii n PRO 863 Cb 0.56 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2oii n PRO 863 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oii n GLY 864 N 0.45 0.97 3.76 0.55 0.00 -1.26 -5.14 105.19 104.52 2oii n GLY 864 Ca 0.04 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2oii n GLY 864 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oii s THR 865 N 1.37 2.92 -0.03 2.61 2.01 -1.26 -5.00 115.64 118.26 2oii s THR 865 Ca 0.00 0.54 -0.13 0.00 0.31 0.00 0.00 61.69 62.40 2oii s THR 865 Cb 0.00 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2oii s THR 865 CO 0.00 -0.16 0.35 -0.69 -0.69 0.00 0.00 174.62 173.43 2oii s VAL 866 N -1.82 5.13 0.00 3.82 1.01 -1.26 -5.09 120.40 122.19 2oii s VAL 866 Ca 0.74 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2oii s VAL 866 Cb -0.26 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2oii s VAL 866 CO 0.33 0.58 0.00 -0.81 0.00 0.00 0.00 175.10 175.20 2oii n PRO 867 N 1.91 3.42 -3.68 2.72 -0.04 -1.26 -4.74 135.00 133.33 2oii n PRO 867 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2oii n PRO 867 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 2oii n PRO 867 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2oii s PHE 868 N 1.72 -0.66 -0.80 0.54 -0.71 -1.26 -4.81 117.98 111.99 2oii s PHE 868 Ca 0.00 1.34 0.07 0.00 -1.04 0.00 0.00 56.93 57.31 2oii s PHE 868 Cb 0.00 0.24 0.03 0.00 -1.21 0.00 0.00 43.02 42.08 2oii s PHE 868 CO 0.00 -0.41 0.64 -0.40 -1.34 0.00 0.00 175.22 173.71 2oii n ASP 869 N 4.92 1.34 -4.44 1.98 5.75 -1.23 -4.89 116.55 119.98 2oii n ASP 869 Ca -0.14 -1.17 -0.44 0.00 -0.01 0.00 0.00 54.79 53.02 2oii n ASP 869 Cb 0.52 0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.80 2oii n ASP 869 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2oii s ARG 870 N -0.84 3.60 -0.74 0.11 1.81 -0.94 -4.97 118.95 116.97 2oii s ARG 870 Ca 0.07 -1.83 -0.26 0.00 -1.72 0.00 0.00 55.73 51.99 2oii s ARG 870 Cb 0.06 -4.86 -0.01 0.00 -0.45 0.00 0.00 34.95 29.69 2oii s ARG 870 CO 0.13 -1.72 1.76 0.08 -0.68 0.00 0.00 175.30 174.87 2oii s VAL 871 N 2.42 3.49 -0.12 3.52 1.01 -1.26 -2.38 120.40 127.07 2oii s VAL 871 Ca 0.31 -0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 2oii s VAL 871 Cb -0.05 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 31.85 2oii s VAL 871 CO -0.09 -1.16 0.65 -0.07 0.00 0.00 0.00 175.10 174.43 2oii h LEU 872 N 15.96 0.19 -6.00 3.92 3.38 -1.93 -3.47 115.31 127.36 2oii h LEU 872 Ca -0.13 -0.87 0.23 0.00 0.09 0.00 0.00 57.88 57.20 2oii h LEU 872 Cb 1.09 -0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 2oii h LEU 872 CO 1.24 1.32 0.04 -0.22 0.09 0.00 0.00 178.44 180.92 2oii s LEU 873 N -7.93 -0.42 0.00 1.67 2.96 -1.22 -5.02 118.68 108.73 2oii s LEU 873 Ca -0.20 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2oii s LEU 873 Cb 0.01 1.29 0.00 0.00 0.50 0.00 0.00 46.19 47.99 2oii s LEU 873 CO 0.72 -0.08 0.00 -3.20 -1.32 0.00 0.00 176.35 172.47 2oii n ASN 874 N 5.24 0.00 -0.05 3.68 5.15 -1.25 -1.95 115.26 126.08 2oii n ASN 874 Ca 0.03 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.90 2oii n ASN 874 Cb 0.56 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.76 2oii n ASN 874 CO 0.00 0.00 0.00 -2.24 1.40 0.00 0.00 177.26 176.42 2oii h ASP 875 N 0.00 0.29 1.11 1.20 2.03 -2.00 -3.13 116.42 115.92 2oii h ASP 875 Ca 0.00 -0.32 -0.07 0.00 -0.73 0.00 0.00 57.03 55.91 2oii h ASP 875 Cb 0.00 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.41 2oii h ASP 875 CO 0.00 0.53 -0.34 1.23 -1.03 0.00 0.00 179.24 179.63 2oii h GLY 876 N 0.04 0.00 0.00 7.15 0.00 -1.97 -3.47 103.07 104.82 2oii h GLY 876 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2oii h GLY 876 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2oii n GLY 877 N 0.53 1.76 5.00 4.60 0.00 -1.19 -4.85 105.19 111.04 2oii n GLY 877 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2oii n GLY 877 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2oii n TYR 878 N 0.00 0.00 -3.78 1.61 4.01 -1.26 -4.72 117.16 113.02 2oii n TYR 878 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2oii n TYR 878 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 2oii n TYR 878 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2oii s TYR 879 N 0.00 3.26 -0.18 -0.72 1.13 -1.26 -3.43 117.35 116.15 2oii s TYR 879 Ca 0.00 -1.54 -0.29 0.00 -1.41 0.00 0.00 57.07 53.83 2oii s TYR 879 Cb 0.00 -2.27 -0.04 0.00 -1.10 0.00 0.00 41.96 38.55 2oii s TYR 879 CO 0.00 -0.75 1.69 0.34 -2.51 0.00 0.00 175.55 174.31 2oii s ASP 880 N 1.40 6.35 0.00 -0.18 -1.08 -1.19 -4.86 116.67 117.11 2oii s ASP 880 Ca -0.02 1.79 0.24 0.00 -0.52 0.00 0.00 52.55 54.03 2oii s ASP 880 Cb -0.20 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.16 2oii s ASP 880 CO 0.02 -1.25 1.81 -0.81 0.52 0.00 0.00 175.17 175.46 2oii n PRO 881 N 7.66 0.80 0.03 4.34 -0.04 -1.26 0.13 135.00 146.66 2oii n PRO 881 Ca 0.19 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2oii n PRO 881 Cb 0.45 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2oii n PRO 881 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2oii h GLU 882 N 0.00 -0.16 0.00 0.54 5.08 -1.89 -3.37 114.58 114.78 2oii h GLU 882 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2oii h GLU 882 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2oii h GLU 882 CO 0.00 -0.10 -1.40 0.25 -1.00 0.00 0.00 179.01 176.76 2oii n THR 883 N -4.26 0.32 -0.77 1.13 -2.24 -1.24 -4.97 114.28 102.25 2oii n THR 883 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2oii n THR 883 Cb 0.06 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2oii n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oii n GLY 884 N 1.24 0.53 3.56 3.38 0.00 0.36 -4.64 105.19 109.62 2oii n GLY 884 Ca -0.01 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2oii n GLY 884 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oii s VAL 885 N -2.00 3.67 -0.55 1.61 1.01 -1.08 -4.36 120.40 118.70 2oii s VAL 885 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2oii s VAL 885 Cb 0.00 -4.51 0.05 0.00 0.00 0.00 0.00 36.38 31.92 2oii s VAL 885 CO 0.00 -1.39 0.87 0.12 0.00 0.00 0.00 175.10 174.70 2oii s PHE 886 N 7.87 2.85 -0.59 5.22 2.19 -1.24 -3.15 117.98 131.12 2oii s PHE 886 Ca 0.60 -0.16 -0.19 0.00 0.33 0.00 0.00 56.93 57.51 2oii s PHE 886 Cb -0.03 -3.96 0.11 0.00 -1.31 0.00 0.00 43.02 37.82 2oii s PHE 886 CO -0.03 -1.29 0.68 0.99 1.83 0.00 0.00 175.22 177.39 2oii s THR 887 N 3.65 4.87 -0.46 0.12 2.01 -1.22 -3.48 115.64 121.13 2oii s THR 887 Ca 0.26 -1.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 2oii s THR 887 Cb -0.14 -4.47 0.06 0.00 0.01 0.00 0.00 72.50 67.95 2oii s THR 887 CO 0.17 -1.10 0.42 0.00 -0.69 0.00 0.00 174.62 173.42 2oii s ALA 888 N 2.54 3.51 -0.82 7.40 0.00 -1.23 -4.75 121.76 128.41 2oii s ALA 888 Ca 0.10 -1.95 0.25 0.00 0.00 0.00 0.00 51.96 50.37 2oii s ALA 888 Cb -0.25 -3.08 0.44 0.00 0.00 0.00 0.00 23.12 20.23 2oii s ALA 888 CO 0.06 -1.72 1.38 -0.35 0.00 0.00 0.00 175.76 175.12 2oii n PRO 889 N 5.38 0.14 -0.29 0.00 -0.04 -1.26 -0.80 135.00 138.12 2oii n PRO 889 Ca -0.11 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2oii n PRO 889 Cb 0.45 -1.59 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2oii n PRO 889 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2oii n LEU 890 N -1.79 -0.33 -2.84 1.53 4.77 -1.26 -4.86 117.00 112.22 2oii n LEU 890 Ca 0.04 1.39 -0.02 0.00 -0.03 0.00 0.00 56.01 57.39 2oii n LEU 890 Cb 0.39 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2oii n LEU 890 CO 0.35 -1.32 -0.46 0.00 -1.33 0.00 0.00 177.39 174.64 2oii n ALA 891 N -3.68 -2.80 0.00 -1.18 0.00 -1.26 -4.71 120.51 106.88 2oii n ALA 891 Ca 0.12 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.56 2oii n ALA 891 Cb 0.39 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2oii n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oii n GLY 892 N 1.55 -0.34 3.29 0.00 0.00 -1.26 -2.43 105.19 106.00 2oii n GLY 892 Ca -0.15 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2oii n GLY 892 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2oii s ARG 893 N -2.00 3.26 0.15 1.61 3.52 -0.49 -4.93 118.95 120.06 2oii s ARG 893 Ca 0.00 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 2oii s ARG 893 Cb 0.00 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2oii s ARG 893 CO 0.00 0.08 -0.09 1.52 -0.81 0.00 0.00 175.30 176.00 2oii s TYR 894 N 0.67 1.23 -0.27 5.12 -0.85 -1.26 -1.78 117.35 120.21 2oii s TYR 894 Ca -0.07 -0.80 -0.20 0.00 -0.52 0.00 0.00 57.07 55.48 2oii s TYR 894 Cb -0.16 -0.64 -0.02 0.00 0.38 0.00 0.00 41.96 41.52 2oii s TYR 894 CO 0.02 0.03 0.59 -1.17 -1.52 0.00 0.00 175.55 173.51 2oii s LEU 895 N -3.16 4.09 -0.02 -3.49 2.96 -0.98 -4.74 118.68 113.35 2oii s LEU 895 Ca 0.17 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 2oii s LEU 895 Cb 0.03 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 2oii s LEU 895 CO 0.00 -0.38 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.39 2oii s LEU 896 N 2.48 3.32 -0.19 -0.68 0.20 -1.26 -2.20 118.68 120.35 2oii s LEU 896 Ca 0.24 -0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.97 2oii s LEU 896 Cb -0.15 -1.86 0.10 0.00 -0.43 0.00 0.00 46.19 43.84 2oii s LEU 896 CO 0.10 0.31 0.32 -0.44 -0.29 0.00 0.00 176.35 176.35 2oii s SER 897 N -1.30 0.38 0.03 3.68 0.01 -1.15 -4.92 113.70 110.43 2oii s SER 897 Ca 0.17 0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.87 2oii s SER 897 Cb -0.11 0.91 -0.04 0.00 0.21 0.00 0.00 66.02 66.99 2oii s SER 897 CO 0.07 -0.27 0.00 0.00 0.41 0.00 0.00 173.24 173.45 2oii s ALA 898 N 2.48 3.30 -0.27 1.44 0.00 -1.26 -3.33 121.76 124.11 2oii s ALA 898 Ca 0.05 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2oii s ALA 898 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2oii s ALA 898 CO -0.12 0.67 0.38 0.08 0.00 0.00 0.00 175.76 176.76 2oii s VAL 899 N -1.18 5.17 -0.39 0.00 1.01 -1.19 -5.05 120.40 118.78 2oii s VAL 899 Ca 0.22 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 2oii s VAL 899 Cb -0.12 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2oii s VAL 899 CO 0.14 0.14 0.44 -0.76 0.00 0.00 0.00 175.10 175.06 2oii s LEU 900 N 2.08 4.64 0.37 3.92 2.01 -1.26 -4.72 118.68 125.72 2oii s LEU 900 Ca 0.15 -0.43 -0.27 0.00 0.01 0.00 0.00 54.13 53.58 2oii s LEU 900 Cb -0.16 -2.43 -0.10 0.00 0.01 0.00 0.00 46.19 43.52 2oii s LEU 900 CO 0.10 -0.51 1.31 -0.89 1.01 0.00 0.00 176.35 177.36 2oii s THR 901 N 2.19 2.66 0.00 5.49 2.01 -1.26 -4.96 115.64 121.77 2oii s THR 901 Ca 0.14 0.63 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 2oii s THR 901 Cb -0.16 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 2oii s THR 901 CO 0.13 0.12 0.81 1.23 -0.69 0.00 0.00 174.62 176.23 2oii h GLY 902 N 3.03 -0.37 -6.34 4.40 0.00 -2.00 -3.48 103.07 98.31 2oii h GLY 902 Ca -0.49 0.14 -0.37 0.00 0.00 0.00 0.00 47.33 46.60 2oii h GLY 902 CO 0.64 -0.13 -0.80 1.42 0.00 0.00 0.00 176.54 177.66 2oii n HIS 903 N -3.31 -2.17 0.70 5.60 -0.00 -1.26 -4.69 115.22 110.09 2oii n HIS 903 Ca -0.04 0.75 0.07 0.00 -0.00 0.00 0.00 57.72 58.50 2oii n HIS 903 Cb 0.14 -3.22 0.37 0.00 -0.00 0.00 0.00 29.99 27.28 2oii n HIS 903 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2oii n ARG 904 N -2.98 0.21 0.00 -0.41 1.85 -1.26 -3.68 116.66 110.39 2oii n ARG 904 Ca -0.18 0.15 0.01 0.00 -1.00 0.00 0.00 57.85 56.83 2oii n ARG 904 Cb 0.62 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.59 2oii n ARG 904 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2oii n HIS 905 N -1.28 0.00 -1.03 2.89 -0.00 -1.26 -4.95 115.22 109.59 2oii n HIS 905 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2oii n HIS 905 Cb 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 2oii n HIS 905 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2oii n GLU 906 N -0.73 0.00 0.00 1.57 0.28 -0.57 -5.11 120.64 116.07 2oii n GLU 906 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2oii n GLU 906 Cb 0.01 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.88 2oii n GLU 906 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2oii n LYS 907 N 0.00 0.00 -4.07 3.44 4.81 11.47 -4.40 118.16 129.41 2oii n LYS 907 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 2oii n LYS 907 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 2oii n LYS 907 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2oii s VAL 908 N -3.10 1.91 -0.18 3.15 1.01 -1.26 -2.10 120.40 119.83 2oii s VAL 908 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 2oii s VAL 908 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2oii s VAL 908 CO 0.00 0.35 0.13 -0.70 0.00 0.00 0.00 175.10 174.88 2oii s GLU 909 N 1.31 3.98 -0.23 2.72 2.12 0.12 -4.42 118.70 124.31 2oii s GLU 909 Ca 0.01 -0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 2oii s GLU 909 Cb -0.15 -3.35 0.09 0.00 0.26 0.00 0.00 34.13 30.98 2oii s GLU 909 CO -0.10 0.43 0.51 0.00 -0.54 0.00 0.00 175.26 175.56 2oii s ALA 910 N -0.03 -1.46 -0.01 6.30 0.00 -1.24 -0.83 121.76 124.50 2oii s ALA 910 Ca 0.10 1.85 -0.26 0.00 0.00 0.00 0.00 51.96 53.64 2oii s ALA 910 Cb -0.11 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2oii s ALA 910 CO -0.00 -0.66 0.82 0.08 0.00 0.00 0.00 175.76 176.00 2oii s VAL 911 N 2.32 4.89 0.73 0.00 1.01 -1.22 -2.32 120.40 125.82 2oii s VAL 911 Ca -0.05 1.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.51 2oii s VAL 911 Cb -0.10 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2oii s VAL 911 CO -0.15 0.25 1.14 -0.76 0.00 0.00 0.00 175.10 175.58 2oii s LEU 912 N 0.66 3.25 -0.05 3.92 1.43 0.23 -4.47 118.68 123.65 2oii s LEU 912 Ca 0.43 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 2oii s LEU 912 Cb -0.20 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.46 2oii s LEU 912 CO 0.23 -2.06 -0.15 -0.55 0.23 0.00 0.00 176.35 174.05 2oii s SER 913 N -2.53 1.94 0.81 2.29 0.15 -1.11 -3.46 113.70 111.79 2oii s SER 913 Ca 0.68 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 2oii s SER 913 Cb -0.23 -0.64 0.08 0.00 -1.71 0.00 0.00 66.02 63.52 2oii s SER 913 CO 0.47 0.11 1.14 0.00 1.20 0.00 0.00 173.24 176.15 2oii s ARG 914 N 0.23 1.83 0.00 5.44 3.03 -1.26 -1.59 118.95 126.63 2oii s ARG 914 Ca -0.07 1.44 0.00 0.00 2.03 0.00 0.00 55.73 59.13 2oii s ARG 914 Cb -0.12 -1.83 0.00 0.00 -1.03 0.00 0.00 34.95 31.97 2oii s ARG 914 CO 0.03 -2.01 0.00 0.45 -1.13 0.00 0.00 175.30 172.64 2oii n SER 915 N -3.53 0.00 0.00 -2.89 2.88 -1.26 -4.55 113.62 104.27 2oii n SER 915 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2oii n SER 915 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2oii n SER 915 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2oii n ASN 916 N 0.99 4.03 -0.99 -3.46 3.02 -1.23 -5.14 115.26 112.48 2oii n ASN 916 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 2oii n ASN 916 Cb 0.00 0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 39.87 2oii n ASN 916 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oii n GLN 917 N -1.27 -2.20 0.00 3.52 6.02 -0.62 -4.72 117.38 118.11 2oii n GLN 917 Ca 0.00 1.71 0.00 0.00 -0.01 0.00 0.00 57.00 58.70 2oii n GLN 917 Cb 0.05 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 28.71 2oii n GLN 917 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oii n GLY 918 N -3.69 3.45 2.86 1.08 0.00 -1.26 -4.58 105.19 103.04 2oii n GLY 918 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2oii n GLY 918 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oii n VAL 919 N 0.00 -8.27 -3.01 1.61 0.31 -1.26 -2.75 118.33 104.96 2oii n VAL 919 Ca 0.00 1.49 -0.44 0.00 -0.01 0.00 0.00 64.34 65.38 2oii n VAL 919 Cb 0.00 -5.26 -0.03 0.00 -0.91 0.00 0.00 33.84 27.64 2oii n VAL 919 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oii s ALA 920 N -1.01 3.49 -0.09 3.52 0.00 -1.22 -4.09 121.76 122.36 2oii s ALA 920 Ca -0.07 -2.78 -0.13 0.00 0.00 0.00 0.00 51.96 48.97 2oii s ALA 920 Cb 0.00 -3.90 -0.28 0.00 0.00 0.00 0.00 23.12 18.94 2oii s ALA 920 CO 0.49 -2.80 0.55 0.07 0.00 0.00 0.00 175.76 174.07 2oii h ARG 921 N 8.70 0.29 -2.61 0.00 0.11 -1.78 -3.30 114.38 115.78 2oii h ARG 921 Ca 0.09 -0.49 -0.76 0.00 0.10 0.00 0.00 59.98 58.92 2oii h ARG 921 Cb 1.03 0.18 -0.31 0.00 1.11 0.00 0.00 29.97 31.99 2oii h ARG 921 CO 1.04 1.23 0.55 0.28 0.10 0.00 0.00 179.97 183.18 2oii n VAL 922 N -3.77 4.94 -3.08 0.08 0.31 -1.26 -4.35 118.33 111.19 2oii n VAL 922 Ca -0.26 -5.83 -0.39 0.00 -0.01 0.00 0.00 64.34 57.85 2oii n VAL 922 Cb 0.97 -1.91 -0.05 0.00 -0.91 0.00 0.00 33.84 31.93 2oii n VAL 922 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2oii s ASP 923 N -1.92 7.09 -0.25 4.52 2.15 -1.26 -3.38 116.67 123.63 2oii s ASP 923 Ca 0.35 1.30 -0.02 0.00 0.43 0.00 0.00 52.55 54.61 2oii s ASP 923 Cb 0.11 -2.42 0.12 0.00 -0.30 0.00 0.00 42.92 40.43 2oii s ASP 923 CO 0.02 0.03 0.29 -0.55 -0.17 0.00 0.00 175.17 174.80 2oii s SER 924 N -0.01 1.15 -0.95 -0.34 0.15 -0.01 -5.01 113.70 108.68 2oii s SER 924 Ca 0.35 -0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.61 2oii s SER 924 Cb -0.19 0.64 0.24 0.00 -1.71 0.00 0.00 66.02 65.00 2oii s SER 924 CO 0.20 -0.34 0.90 -0.83 1.20 0.00 0.00 173.24 174.37 2oii s GLY 925 N 2.40 2.95 -0.02 9.45 0.00 -1.26 0.16 107.32 121.00 2oii s GLY 925 Ca 0.09 -3.61 0.06 0.00 0.00 0.00 0.00 44.72 41.27 2oii s GLY 925 CO -0.21 1.27 1.09 0.61 0.00 0.00 0.00 173.10 175.87 2oii n GLY 926 N 3.21 0.67 0.00 0.20 0.00 -0.89 -4.94 105.19 103.44 2oii n GLY 926 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2oii n GLY 926 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2oii n THR 946 N 0.20 0.00 -4.66 2.61 -1.04 -1.26 -2.14 114.28 107.98 2oii n THR 946 Ca 0.08 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.76 2oii n THR 946 Cb 0.31 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.68 2oii n THR 946 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2oii s LEU 947 N 0.00 2.90 0.22 -4.42 1.43 -1.26 -4.96 118.68 112.59 2oii s LEU 947 Ca 0.00 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2oii s LEU 947 Cb 0.00 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 2oii s LEU 947 CO 0.00 0.18 0.44 -0.83 0.23 0.00 0.00 176.35 176.38 2oii s GLY 948 N 0.25 0.44 -0.13 -3.19 0.00 -1.26 -5.02 107.32 98.42 2oii s GLY 948 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.88 2oii s GLY 948 CO 0.04 -0.62 -0.21 -1.34 0.00 0.00 0.00 173.10 170.97 2oii s VAL 949 N -3.99 2.21 0.05 1.40 -7.23 -1.26 -3.37 120.40 108.21 2oii s VAL 949 Ca 0.20 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 2oii s VAL 949 Cb 0.00 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2oii s VAL 949 CO 0.06 0.55 -0.10 0.72 -0.31 0.00 0.00 175.10 176.01 2oii s PHE 950 N 0.62 0.89 0.02 2.82 -0.12 -1.24 -4.95 117.98 116.02 2oii s PHE 950 Ca -0.11 -0.46 0.00 0.00 -0.05 0.00 0.00 56.93 56.31 2oii s PHE 950 Cb -0.16 -0.52 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 2oii s PHE 950 CO 0.03 -0.02 0.00 0.43 -0.05 0.00 0.00 175.22 175.60 2oii n SER 951 N 1.49 0.16 0.00 1.98 7.64 -1.26 -4.31 113.62 119.32 2oii n SER 951 Ca -0.21 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2oii n SER 951 Cb 0.55 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2oii n SER 951 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2oii n LEU 952 N -3.05 0.00 0.00 -3.43 7.94 -1.26 -4.83 117.00 112.37 2oii n LEU 952 Ca 0.00 0.81 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 2oii n LEU 952 Cb 0.40 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2oii n LEU 952 CO 0.00 -0.31 0.00 2.30 -1.11 0.00 0.00 177.39 178.27 2oii n ILE 953 N -1.44 0.00 0.00 1.96 -5.35 -1.26 -4.44 119.36 108.83 2oii n ILE 953 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2oii n ILE 953 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2oii n ILE 953 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2oii n LEU 954 N 0.00 0.00 -4.55 7.28 -0.00 -1.26 -4.64 117.00 113.83 2oii n LEU 954 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 2oii n LEU 954 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2oii n LEU 954 CO 0.00 0.00 1.36 -2.16 -0.00 0.00 0.00 177.39 176.59 2oii s PRO 955 N 0.00 3.15 0.11 1.47 0.04 -1.26 -4.89 135.00 133.62 2oii s PRO 955 Ca 0.00 -0.40 0.08 0.00 0.04 0.00 0.00 61.00 60.72 2oii s PRO 955 Cb 0.00 -4.71 -0.04 0.00 0.04 0.00 0.00 34.50 29.80 2oii s PRO 955 CO 0.00 -2.42 -0.19 -0.51 0.04 0.00 0.00 177.00 173.92 2oii s LEU 956 N 6.57 2.33 0.41 -3.56 1.02 -1.26 -5.03 118.68 119.15 2oii s LEU 956 Ca 0.48 -0.72 -0.18 0.00 0.02 0.00 0.00 54.13 53.74 2oii s LEU 956 Cb -0.06 -0.82 -0.10 0.00 0.02 0.00 0.00 46.19 45.23 2oii s LEU 956 CO 0.06 0.02 0.88 -1.10 0.02 0.00 0.00 176.35 176.22 2oii s GLN 957 N -2.08 4.09 -0.09 1.70 -0.21 -1.26 -4.99 119.66 116.83 2oii s GLN 957 Ca 0.07 0.92 -0.30 0.00 0.02 0.00 0.00 55.36 56.07 2oii s GLN 957 Cb -0.09 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.61 2oii s GLN 957 CO 0.04 -0.01 1.60 0.00 -2.12 0.00 0.00 175.29 174.81 2oii s ALA 958 N -2.19 3.59 0.00 6.09 0.00 -1.26 -2.36 121.76 125.63 2oii s ALA 958 Ca 0.58 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2oii s ALA 958 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2oii s ALA 958 CO 0.18 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.93 2oii n GLY 959 N 4.12 3.24 3.25 0.00 0.00 0.02 -4.98 105.19 110.83 2oii n GLY 959 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2oii n GLY 959 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oii n ASP 960 N 0.06 -2.54 -4.00 1.61 9.92 -0.99 -4.36 116.55 116.25 2oii n ASP 960 Ca 0.00 -0.23 -0.18 0.00 -0.53 0.00 0.00 54.79 53.84 2oii n ASP 960 Cb 0.00 -0.96 -0.15 0.00 -0.64 0.00 0.00 41.12 39.37 2oii n ASP 960 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2oii s THR 961 N -2.22 0.66 0.01 -3.53 2.01 -1.26 -3.54 115.64 107.78 2oii s THR 961 Ca 0.55 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 2oii s THR 961 Cb -0.12 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 2oii s THR 961 CO 0.61 0.19 0.30 0.68 -0.69 0.00 0.00 174.62 175.71 2oii s VAL 962 N -0.07 5.25 0.01 3.82 -7.23 -1.23 -4.12 120.40 116.84 2oii s VAL 962 Ca 0.01 0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 60.49 2oii s VAL 962 Cb -0.05 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 2oii s VAL 962 CO -0.00 0.40 -0.01 0.00 -0.31 0.00 0.00 175.10 175.19 2oii s VAL 964 N -0.77 5.46 -0.16 0.00 1.01 -1.26 0.74 120.40 125.42 2oii s VAL 964 Ca -0.08 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 2oii s VAL 964 Cb -0.05 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2oii s VAL 964 CO -0.00 0.56 0.39 -0.62 0.00 0.00 0.00 175.10 175.43 2oii s ASP 965 N -0.60 6.52 -0.47 3.32 -1.08 -0.98 -4.75 116.67 118.64 2oii s ASP 965 Ca 0.13 0.62 0.09 0.00 -0.52 0.00 0.00 52.55 52.87 2oii s ASP 965 Cb -0.12 -2.23 0.33 0.00 -1.46 0.00 0.00 42.92 39.43 2oii s ASP 965 CO 0.03 0.00 0.78 -0.11 0.52 0.00 0.00 175.17 176.39 2oii n LEU 966 N 3.92 2.23 -3.20 -1.34 7.94 -1.26 -3.64 117.00 121.65 2oii n LEU 966 Ca -0.09 -5.24 -0.00 0.00 -1.11 0.00 0.00 56.01 49.57 2oii n LEU 966 Cb 0.51 0.17 -0.02 0.00 0.53 0.00 0.00 43.42 44.61 2oii n LEU 966 CO 0.41 2.27 0.06 -0.69 -1.11 0.00 0.00 177.39 178.32 2oii s VAL 967 N -2.98 -0.90 -0.38 1.96 1.01 -1.26 -5.05 120.40 112.79 2oii s VAL 967 Ca 0.42 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.41 2oii s VAL 967 Cb 0.29 -0.75 0.35 0.00 0.00 0.00 0.00 36.38 36.26 2oii s VAL 967 CO -0.10 -0.08 0.79 0.23 0.00 0.00 0.00 175.10 175.94 2oii n MET 968 N 5.12 0.98 0.00 2.72 2.81 -1.26 -5.04 117.12 122.45 2oii n MET 968 Ca 0.06 -3.15 0.00 0.00 -1.81 0.00 0.00 57.70 52.80 2oii n MET 968 Cb 0.53 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2oii n MET 968 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2oii n GLY 969 N 0.29 3.49 0.06 3.03 0.00 -1.26 -4.12 105.19 106.68 2oii n GLY 969 Ca 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 2oii n GLY 969 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2oii h GLN 970 N 0.00 0.00 -5.34 1.61 4.15 -2.03 -3.42 115.11 110.08 2oii h GLN 970 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2oii h GLN 970 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2oii h GLN 970 CO 0.00 0.13 0.22 -0.11 -1.93 0.00 0.00 178.83 177.14 2oii n LEU 971 N -4.72 1.70 0.00 -2.39 7.94 -1.26 -4.78 117.00 113.49 2oii n LEU 971 Ca -0.04 -1.38 0.00 0.00 -1.11 0.00 0.00 56.01 53.48 2oii n LEU 971 Cb 0.13 -1.61 0.00 0.00 0.53 0.00 0.00 43.42 42.47 2oii n LEU 971 CO 0.06 -2.51 0.00 0.00 -1.11 0.00 0.00 177.39 173.83 2oii n ALA 972 N 17.98 0.00 -2.64 1.96 0.00 -1.26 -5.15 120.51 131.40 2oii n ALA 972 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 2oii n ALA 972 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 2oii n ALA 972 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2oii s HIS 973 N -0.03 2.37 -0.19 0.00 2.46 -1.26 -5.13 115.29 113.51 2oii s HIS 973 Ca 0.00 -0.73 -0.09 0.00 0.47 0.00 0.00 55.06 54.71 2oii s HIS 973 Cb 0.00 -1.75 -0.05 0.00 -0.13 0.00 0.00 32.58 30.65 2oii s HIS 973 CO 0.00 0.38 0.10 0.45 -2.47 0.00 0.00 174.74 173.20 2oii s SER 974 N -3.76 5.96 0.12 9.88 0.15 -1.26 -5.08 113.70 119.70 2oii s SER 974 Ca 0.29 0.17 -0.20 0.00 0.70 0.00 0.00 55.95 56.92 2oii s SER 974 Cb 0.08 -2.03 0.05 0.00 -1.71 0.00 0.00 66.02 62.41 2oii s SER 974 CO 0.15 0.19 0.49 -0.70 1.20 0.00 0.00 173.24 174.56 2oii s GLU 975 N 0.30 1.12 -0.40 5.44 -6.30 -1.26 -5.12 118.70 112.49 2oii s GLU 975 Ca 0.06 -0.53 0.02 0.00 -2.50 0.00 0.00 54.97 52.02 2oii s GLU 975 Cb -0.12 0.50 0.15 0.00 0.00 0.00 0.00 34.13 34.67 2oii s GLU 975 CO -0.01 -0.45 0.27 -1.83 0.02 0.00 0.00 175.26 173.27 2oii s GLU 976 N -3.47 0.83 0.28 4.30 4.04 -1.26 -5.13 118.70 118.30 2oii s GLU 976 Ca 0.00 -1.78 -0.05 0.00 0.04 0.00 0.00 54.97 53.19 2oii s GLU 976 Cb 0.00 -1.53 0.07 0.00 0.02 0.00 0.00 34.13 32.69 2oii s GLU 976 CO -0.10 -1.28 0.29 -0.35 -1.84 0.00 0.00 175.26 171.99 2oii n PRO 977 N 3.45 -1.12 -4.29 -4.83 -0.04 -1.26 -5.03 135.00 121.89 2oii n PRO 977 Ca 0.19 -0.46 -0.19 0.00 -0.04 0.00 0.00 63.50 62.99 2oii n PRO 977 Cb 0.41 -0.38 -0.11 0.00 -0.04 0.00 0.00 33.50 33.38 2oii n PRO 977 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2oii s LEU 978 N 0.00 2.43 -0.12 1.53 1.02 -1.26 -4.96 118.68 117.32 2oii s LEU 978 Ca 0.18 -0.85 -0.13 0.00 0.02 0.00 0.00 54.13 53.36 2oii s LEU 978 Cb -0.01 -0.67 0.03 0.00 0.02 0.00 0.00 46.19 45.56 2oii s LEU 978 CO 0.13 -0.11 0.35 0.42 0.02 0.00 0.00 176.35 177.17 2oii s THR 979 N -2.18 0.01 -0.17 5.49 -4.23 -1.26 -4.87 115.64 108.42 2oii s THR 979 Ca 0.13 -0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.54 2oii s THR 979 Cb -0.05 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 2oii s THR 979 CO 0.05 -0.03 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.46 2oii s ILE 980 N 0.02 4.11 -0.39 2.99 -1.09 -1.26 -4.48 121.20 121.11 2oii s ILE 980 Ca -0.01 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.17 2oii s ILE 980 Cb -0.03 -2.83 0.11 0.00 -1.58 0.00 0.00 42.46 38.13 2oii s ILE 980 CO 0.01 0.47 0.11 0.12 -1.23 0.00 0.00 174.94 174.42 2oii s PHE 981 N 0.51 3.46 0.23 3.97 2.19 -1.22 -3.18 117.98 123.94 2oii s PHE 981 Ca -0.01 -2.96 0.08 0.00 0.33 0.00 0.00 56.93 54.36 2oii s PHE 981 Cb -0.14 -2.81 -0.04 0.00 -1.31 0.00 0.00 43.02 38.73 2oii s PHE 981 CO 0.02 -0.89 0.10 -1.54 1.83 0.00 0.00 175.22 174.74 2oii s SER 982 N 0.63 5.13 -0.30 6.13 1.04 -1.21 -2.89 113.70 122.23 2oii s SER 982 Ca 0.13 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 2oii s SER 982 Cb -0.21 -1.19 0.18 0.00 0.10 0.00 0.00 66.02 64.89 2oii s SER 982 CO -0.07 0.01 1.10 -0.83 0.98 0.00 0.00 173.24 174.43 2oii s GLY 983 N -3.56 -0.32 0.13 7.32 0.00 -0.44 -2.92 107.32 107.53 2oii s GLY 983 Ca 0.31 2.82 0.06 0.00 0.00 0.00 0.00 44.72 47.91 2oii s GLY 983 CO 0.22 3.89 0.03 0.00 0.00 0.00 0.00 173.10 177.24 2oii s ALA 984 N 2.97 3.33 0.18 3.20 0.00 -0.94 -2.71 121.76 127.80 2oii s ALA 984 Ca -0.01 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2oii s ALA 984 Cb -0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 2oii s ALA 984 CO -0.11 0.60 1.22 -1.17 0.00 0.00 0.00 175.76 176.30 2oii s LEU 985 N -2.67 4.44 -0.12 0.00 2.96 -1.19 -2.32 118.68 119.78 2oii s LEU 985 Ca 0.27 2.25 -0.10 0.00 -0.22 0.00 0.00 54.13 56.33 2oii s LEU 985 Cb -0.11 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2oii s LEU 985 CO 0.20 -0.41 -0.22 -0.11 -1.32 0.00 0.00 176.35 174.49 2oii n LEU 986 N 2.64 1.46 -3.84 -0.68 7.94 -1.20 -4.87 117.00 118.45 2oii n LEU 986 Ca 0.05 0.24 -0.12 0.00 -1.11 0.00 0.00 56.01 55.07 2oii n LEU 986 Cb 0.44 -0.56 -0.11 0.00 0.53 0.00 0.00 43.42 43.73 2oii n LEU 986 CO 0.56 -0.11 -0.17 -0.47 -1.11 0.00 0.00 177.39 176.09 2oii s TYR 987 N -2.47 -0.07 0.31 1.96 5.04 -0.73 -5.04 117.35 116.35 2oii s TYR 987 Ca -0.21 0.16 0.09 0.00 -2.44 0.00 0.00 57.07 54.67 2oii s TYR 987 Cb 0.05 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.33 2oii s TYR 987 CO 0.28 -0.19 0.07 0.20 -1.34 0.00 0.00 175.55 174.57 2oii s GLY 988 N -0.68 1.85 -0.37 8.97 0.00 -1.26 -1.40 107.32 114.44 2oii s GLY 988 Ca -0.08 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 42.57 2oii s GLY 988 CO 0.01 -1.76 1.34 0.99 0.00 0.00 0.00 173.10 173.68 2oii s ASP 989 N -3.76 6.51 -1.24 1.64 1.01 -1.02 -4.88 116.67 114.93 2oii s ASP 989 Ca 0.35 0.95 -0.09 0.00 0.71 0.00 0.00 52.55 54.47 2oii s ASP 989 Cb -0.04 -2.54 0.19 0.00 1.01 0.00 0.00 42.92 41.55 2oii s ASP 989 CO 0.21 -1.27 1.76 -0.81 0.21 0.00 0.00 175.17 175.27 2oii n PRO 990 N 7.73 3.74 0.00 8.23 -0.04 -1.26 -4.84 135.00 148.57 2oii n PRO 990 Ca 0.15 -3.75 0.00 0.00 -0.04 0.00 0.00 63.50 59.87 2oii n PRO 990 Cb 0.47 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 2oii n PRO 990 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2oii n GLU 991 N 3.58 0.00 -1.40 0.54 1.02 -1.26 -4.72 120.64 118.40 2oii n GLU 991 Ca 0.37 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2oii n GLU 991 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 2oii n GLU 991 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2oii n LEU 992 N 0.00 -0.87 -4.93 -4.62 4.77 -1.26 -4.93 117.00 105.16 2oii n LEU 992 Ca 0.00 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 2oii n LEU 992 Cb 0.00 -1.84 -0.02 0.00 -2.33 0.00 0.00 43.42 39.22 2oii n LEU 992 CO 0.00 -0.59 0.13 -1.61 -1.33 0.00 0.00 177.39 173.99 2oii s GLU 993 N -3.10 3.54 -0.34 3.23 2.02 -1.26 -5.08 118.70 117.70 2oii s GLU 993 Ca 0.00 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.76 2oii s GLU 993 Cb 0.00 -2.72 0.15 0.00 0.10 0.00 0.00 34.13 31.66 2oii s GLU 993 CO 0.00 0.25 0.32 -1.01 0.02 0.00 0.00 175.26 174.85 2oii s HIS 994 N -2.10 -0.21 -1.22 1.61 3.76 -1.26 -5.25 115.29 110.62 2oii s HIS 994 Ca 0.41 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2oii s HIS 994 Cb -0.10 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.09 2oii s HIS 994 CO 0.32 -0.93 0.31 0.00 -0.85 0.00 0.00 174.74 173.58