#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 0.56 -0.04 0.52 1.01 -1.26 -4.98 120.40 116.21 2oii s VAL 847 Ca 0.00 -0.99 0.31 0.00 0.00 0.00 0.00 61.98 61.30 2oii s VAL 847 Cb 0.00 -1.32 0.36 0.00 0.00 0.00 0.00 36.38 35.42 2oii s VAL 847 CO 0.00 -0.54 1.92 1.55 0.00 0.00 0.00 175.10 178.04 2oii h PRO 848 N 8.21 0.00 -5.88 2.72 0.13 -2.02 -3.47 132.00 131.69 2oii h PRO 848 Ca -0.16 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.78 2oii h PRO 848 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2oii h PRO 848 CO 0.42 0.00 -0.42 0.94 -0.23 0.00 0.00 178.00 178.71 2oii n GLN 849 N -2.87 -0.61 -5.19 0.86 7.27 -1.26 -4.92 117.38 110.65 2oii n GLN 849 Ca 0.01 0.20 -0.32 0.00 0.07 0.00 0.00 57.00 56.97 2oii n GLN 849 Cb 0.28 -0.77 -0.16 0.00 2.41 0.00 0.00 30.24 32.00 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 -2.64 2.24 0.17 1.69 1.01 -1.26 -5.10 120.40 116.50 2oii s VAL 850 Ca 0.02 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.08 2oii s VAL 850 Cb -0.01 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2oii s VAL 850 CO 0.35 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.86 2oii s ALA 851 N -0.22 1.88 -0.26 5.51 0.00 -1.26 -3.14 121.76 124.25 2oii s ALA 851 Ca -0.01 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 2oii s ALA 851 Cb -0.13 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 22.95 2oii s ALA 851 CO 0.03 0.13 0.65 -0.59 0.00 0.00 0.00 175.76 175.99 2oii s PHE 852 N -2.44 -1.00 -0.29 0.00 -0.12 -0.95 -3.80 117.98 109.38 2oii s PHE 852 Ca 0.17 2.01 -0.20 0.00 -0.05 0.00 0.00 56.93 58.86 2oii s PHE 852 Cb -0.03 0.58 0.18 0.00 -0.63 0.00 0.00 43.02 43.11 2oii s PHE 852 CO 0.06 -0.50 1.21 0.45 -0.05 0.00 0.00 175.22 176.39 2oii s SER 853 N 1.58 -0.22 0.09 1.98 0.15 -0.87 -1.22 113.70 115.20 2oii s SER 853 Ca -0.10 0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.96 2oii s SER 853 Cb -0.05 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2oii s SER 853 CO -0.19 -0.06 -0.09 0.00 1.20 0.00 0.00 173.24 174.10 2oii s ALA 854 N 0.73 1.02 0.00 5.45 0.00 -1.11 -3.23 121.76 124.62 2oii s ALA 854 Ca -0.03 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.83 2oii s ALA 854 Cb -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2oii s ALA 854 CO -0.12 -0.08 -0.23 0.00 0.00 0.00 0.00 175.76 175.32 2oii s ALA 855 N -2.62 1.96 -0.08 0.00 0.00 -1.00 -3.39 121.76 116.63 2oii s ALA 855 Ca 0.05 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2oii s ALA 855 Cb -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2oii s ALA 855 CO -0.01 0.47 -0.08 -1.17 0.00 0.00 0.00 175.76 174.97 2oii s LEU 856 N -0.78 3.06 0.00 0.00 1.98 -1.26 -2.39 118.68 119.29 2oii s LEU 856 Ca 0.09 -0.09 0.00 0.00 -2.89 0.00 0.00 54.13 51.24 2oii s LEU 856 Cb -0.09 -1.67 0.00 0.00 0.66 0.00 0.00 46.19 45.09 2oii s LEU 856 CO 0.00 0.32 0.42 -1.20 -1.89 0.00 0.00 176.35 174.00 2oii n SER 857 N 2.50 0.00 -3.00 3.68 7.64 -1.26 -4.87 113.62 118.31 2oii n SER 857 Ca -0.18 -1.11 -0.27 0.00 1.01 0.00 0.00 58.87 58.32 2oii n SER 857 Cb 0.53 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.73 2oii n SER 857 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oii n LEU 858 N 0.00 -4.47 0.00 -3.43 -0.00 -1.26 -4.95 117.00 102.89 2oii n LEU 858 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 2oii n LEU 858 Cb 0.52 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 2oii n LEU 858 CO 0.00 -4.46 0.03 -0.81 -0.00 0.00 0.00 177.39 172.16 2oii n PRO 859 N 1.88 0.00 0.00 1.47 -0.04 -1.26 -5.03 135.00 132.02 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 0.43 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.07 1.88 -1.43 0.54 1.85 -1.26 -5.07 116.66 113.10 2oii n ARG 860 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 57.85 56.29 2oii n ARG 860 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 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 0.35 -4.96 2.89 7.64 -1.26 -4.95 113.62 113.32 2oii n SER 861 Ca 0.00 1.05 -0.22 0.00 1.01 0.00 0.00 58.87 60.71 2oii n SER 861 Cb 0.00 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.36 2oii n SER 861 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2oii s GLU 862 N 0.88 3.44 0.25 1.43 0.41 -1.26 -4.99 118.70 118.86 2oii s GLU 862 Ca 0.86 -0.70 0.24 0.00 -0.41 0.00 0.00 54.97 54.96 2oii s GLU 862 Cb -1.21 -2.89 0.96 0.00 -1.78 0.00 0.00 34.13 29.21 2oii s GLU 862 CO 0.59 0.43 1.71 -0.35 -0.49 0.00 0.00 175.26 177.15 2oii n PRO 863 N -1.26 0.20 0.00 0.39 -0.04 -1.26 -4.93 135.00 128.09 2oii n PRO 863 Ca -0.08 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2oii n PRO 863 Cb 0.56 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.14 0.99 3.74 0.55 0.00 -1.26 -5.14 105.19 104.20 2oii n GLY 864 Ca 0.02 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 1.30 2.77 -0.12 2.61 2.01 -1.26 -5.00 115.64 117.95 2oii s THR 865 Ca 0.00 0.33 -0.09 0.00 0.31 0.00 0.00 61.69 62.24 2oii s THR 865 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 2oii s THR 865 CO 0.00 -0.25 0.18 -0.69 -0.69 0.00 0.00 174.62 173.18 2oii s VAL 866 N -2.33 5.41 0.00 3.82 1.01 -1.26 -5.07 120.40 121.98 2oii s VAL 866 Ca 0.69 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2oii s VAL 866 Cb -0.23 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2oii s VAL 866 CO 0.47 0.56 0.00 -0.81 0.00 0.00 0.00 175.10 175.32 2oii n PRO 867 N 2.38 3.61 -3.68 2.72 -0.04 -1.26 -4.78 135.00 133.96 2oii n PRO 867 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 2oii n PRO 867 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 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 1.90 -0.64 -0.83 0.54 -0.71 -1.26 -4.81 117.98 112.16 2oii s PHE 868 Ca 0.00 1.31 0.08 0.00 -1.04 0.00 0.00 56.93 57.27 2oii s PHE 868 Cb 0.00 0.22 0.03 0.00 -1.21 0.00 0.00 43.02 42.06 2oii s PHE 868 CO 0.00 -0.40 0.65 -0.40 -1.34 0.00 0.00 175.22 173.73 2oii n ASP 869 N 4.93 1.36 -4.44 1.98 5.68 -1.24 -4.88 116.55 119.94 2oii n ASP 869 Ca -0.14 -1.18 -0.44 0.00 -0.50 0.00 0.00 54.79 52.53 2oii n ASP 869 Cb 0.52 0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.70 2oii n ASP 869 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2oii s ARG 870 N -0.88 3.64 -0.74 0.11 1.81 -1.01 -4.97 118.95 116.91 2oii s ARG 870 Ca 0.08 -1.86 -0.26 0.00 -1.72 0.00 0.00 55.73 51.97 2oii s ARG 870 Cb 0.06 -4.90 -0.01 0.00 -0.45 0.00 0.00 34.95 29.65 2oii s ARG 870 CO 0.14 -1.74 1.72 0.08 -0.68 0.00 0.00 175.30 174.82 2oii s VAL 871 N 2.46 3.50 -0.12 3.52 1.01 -1.26 -2.38 120.40 127.12 2oii s VAL 871 Ca 0.33 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 2oii s VAL 871 Cb -0.05 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.81 2oii s VAL 871 CO -0.09 -1.21 0.66 -0.07 0.00 0.00 0.00 175.10 174.40 2oii h LEU 872 N 15.71 0.19 -6.00 3.92 3.38 -1.93 -3.47 115.31 127.11 2oii h LEU 872 Ca -0.15 -0.88 0.23 0.00 0.09 0.00 0.00 57.88 57.18 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 1.25 1.30 0.07 -0.22 0.09 0.00 0.00 178.44 180.93 2oii s LEU 873 N -7.95 -0.38 0.00 1.67 2.96 -1.22 -5.02 118.68 108.74 2oii s LEU 873 Ca -0.19 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2oii s LEU 873 Cb 0.01 1.27 0.00 0.00 0.50 0.00 0.00 46.19 47.97 2oii s LEU 873 CO 0.72 -0.07 0.00 -3.20 -1.32 0.00 0.00 176.35 172.48 2oii n ASN 874 N 5.27 0.00 -0.04 3.68 5.15 -1.25 -2.04 115.26 126.03 2oii n ASN 874 Ca 0.02 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.88 2oii n ASN 874 Cb 0.56 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.20 1.00 1.20 2.03 -2.00 -3.17 116.42 115.68 2oii h ASP 875 Ca 0.00 -0.36 -0.08 0.00 -0.73 0.00 0.00 57.03 55.86 2oii h ASP 875 Cb 0.00 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 38.43 2oii h ASP 875 CO 0.00 0.52 -0.36 1.23 -1.03 0.00 0.00 179.24 179.60 2oii h GLY 876 N -0.11 0.00 0.00 7.15 0.00 -1.97 -3.47 103.07 104.67 2oii h GLY 876 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 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 0.41 1.74 5.00 4.60 0.00 -1.20 -4.86 105.19 110.88 2oii n GLY 877 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.79 1.61 4.01 -1.26 -4.70 117.16 113.02 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 3.30 -0.16 -0.72 1.13 -1.26 -3.44 117.35 116.19 2oii s TYR 879 Ca 0.00 -1.67 -0.29 0.00 -1.41 0.00 0.00 57.07 53.70 2oii s TYR 879 Cb 0.00 -2.36 -0.05 0.00 -1.10 0.00 0.00 41.96 38.45 2oii s TYR 879 CO 0.00 -0.78 1.86 0.34 -2.51 0.00 0.00 175.55 174.45 2oii s ASP 880 N 1.45 6.14 0.00 -0.18 -1.08 -1.17 -4.85 116.67 116.98 2oii s ASP 880 Ca -0.02 1.92 0.24 0.00 -0.52 0.00 0.00 52.55 54.18 2oii s ASP 880 Cb -0.20 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.13 2oii s ASP 880 CO 0.01 -1.41 1.80 -0.81 0.52 0.00 0.00 175.17 175.28 2oii n PRO 881 N 7.94 0.69 0.02 4.34 -0.04 -1.26 0.13 135.00 146.81 2oii n PRO 881 Ca 0.22 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2oii n PRO 881 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.09 0.00 0.54 5.08 -1.88 -3.37 114.58 114.85 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 0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2oii h GLU 882 CO 0.00 -0.06 -1.11 0.25 -1.00 0.00 0.00 179.01 177.08 2oii n THR 883 N -3.34 0.40 -0.79 1.13 -2.24 -1.25 -4.97 114.28 103.22 2oii n THR 883 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2oii n THR 883 Cb 0.04 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.25 0.51 3.56 3.38 0.00 0.34 -4.57 105.19 109.66 2oii n GLY 884 Ca 0.00 -0.85 -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 3.60 -0.54 1.61 1.01 -1.09 -4.37 120.40 118.62 2oii s VAL 885 Ca 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2oii s VAL 885 Cb 0.00 -4.37 0.05 0.00 0.00 0.00 0.00 36.38 32.06 2oii s VAL 885 CO 0.00 -1.30 0.81 0.12 0.00 0.00 0.00 175.10 174.74 2oii s PHE 886 N 8.21 2.89 -0.57 5.22 2.19 -1.24 -3.06 117.98 131.62 2oii s PHE 886 Ca 0.61 -0.28 -0.18 0.00 0.33 0.00 0.00 56.93 57.41 2oii s PHE 886 Cb -0.05 -3.88 0.11 0.00 -1.31 0.00 0.00 43.02 37.89 2oii s PHE 886 CO -0.02 -1.25 0.65 0.99 1.83 0.00 0.00 175.22 177.43 2oii s THR 887 N 3.41 4.91 -0.45 0.12 2.01 -1.22 -3.48 115.64 120.94 2oii s THR 887 Ca 0.23 -1.08 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 2oii s THR 887 Cb -0.16 -4.44 0.05 0.00 0.01 0.00 0.00 72.50 67.96 2oii s THR 887 CO 0.15 -1.05 0.42 0.00 -0.69 0.00 0.00 174.62 173.45 2oii s ALA 888 N 2.43 3.49 -0.81 7.40 0.00 -1.23 -4.75 121.76 128.28 2oii s ALA 888 Ca 0.10 -1.83 0.24 0.00 0.00 0.00 0.00 51.96 50.46 2oii s ALA 888 Cb -0.25 -3.07 0.37 0.00 0.00 0.00 0.00 23.12 20.17 2oii s ALA 888 CO 0.06 -1.68 1.31 -0.35 0.00 0.00 0.00 175.76 175.10 2oii n PRO 889 N 5.43 0.15 -0.29 0.00 -0.04 -1.26 -0.77 135.00 138.22 2oii n PRO 889 Ca -0.10 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2oii n PRO 889 Cb 0.45 -1.58 0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.80 -0.32 -2.85 1.53 4.77 -1.26 -4.88 117.00 112.20 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 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2oii n LEU 890 CO 0.36 -1.32 -0.44 0.00 -1.33 0.00 0.00 177.39 174.66 2oii n ALA 891 N -3.69 -2.72 0.00 -1.18 0.00 -1.26 -4.65 120.51 107.01 2oii n ALA 891 Ca 0.12 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.54 2oii n ALA 891 Cb 0.39 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.60 -0.28 3.37 0.00 0.00 -1.26 -2.03 105.19 106.59 2oii n GLY 892 Ca -0.15 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 3.43 0.11 1.61 3.52 -0.37 -4.92 118.95 120.33 2oii s ARG 893 Ca 0.00 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 55.01 2oii s ARG 893 Cb 0.00 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2oii s ARG 893 CO 0.00 0.08 -0.12 -0.47 -0.81 0.00 0.00 175.30 173.98 2oii s TYR 894 N 0.72 1.23 -0.36 5.12 5.04 -1.26 -1.68 117.35 126.16 2oii s TYR 894 Ca -0.04 -0.61 -0.17 0.00 -2.44 0.00 0.00 57.07 53.81 2oii s TYR 894 Cb -0.15 -0.65 -0.00 0.00 0.35 0.00 0.00 41.96 41.50 2oii s TYR 894 CO 0.02 0.07 0.45 -1.17 -1.34 0.00 0.00 175.55 173.59 2oii s LEU 895 N -2.46 4.46 -0.03 6.97 2.96 -1.05 -4.75 118.68 124.77 2oii s LEU 895 Ca 0.07 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2oii s LEU 895 Cb -0.04 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 2oii s LEU 895 CO 0.02 -0.46 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.35 2oii s LEU 896 N 2.24 3.41 -0.17 -0.68 0.20 -1.26 -2.37 118.68 120.04 2oii s LEU 896 Ca 0.15 0.00 -0.04 0.00 0.69 0.00 0.00 54.13 54.93 2oii s LEU 896 Cb -0.16 -1.88 0.09 0.00 -0.43 0.00 0.00 46.19 43.81 2oii s LEU 896 CO 0.13 0.32 0.28 -0.44 -0.29 0.00 0.00 176.35 176.35 2oii s SER 897 N -1.24 0.60 0.03 3.68 0.01 -1.17 -4.93 113.70 110.69 2oii s SER 897 Ca 0.16 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.76 2oii s SER 897 Cb -0.11 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2oii s SER 897 CO 0.06 -0.27 0.02 0.00 0.41 0.00 0.00 173.24 173.46 2oii s ALA 898 N 2.42 3.37 -0.28 1.44 0.00 -1.26 -3.39 121.76 124.07 2oii s ALA 898 Ca 0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 2oii s ALA 898 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2oii s ALA 898 CO -0.11 0.68 0.35 0.08 0.00 0.00 0.00 175.76 176.76 2oii s VAL 899 N -1.19 5.19 -0.40 0.00 1.01 -1.18 -5.05 120.40 118.77 2oii s VAL 899 Ca 0.23 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 2oii s VAL 899 Cb -0.12 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2oii s VAL 899 CO 0.14 0.15 0.52 -0.76 0.00 0.00 0.00 175.10 175.15 2oii s LEU 900 N 2.03 4.60 0.36 3.92 2.01 -1.26 -4.70 118.68 125.63 2oii s LEU 900 Ca 0.14 -0.38 -0.28 0.00 0.01 0.00 0.00 54.13 53.62 2oii s LEU 900 Cb -0.16 -2.54 -0.10 0.00 0.01 0.00 0.00 46.19 43.40 2oii s LEU 900 CO 0.10 -0.61 1.34 -0.89 1.01 0.00 0.00 176.35 177.30 2oii s THR 901 N 2.42 2.57 0.01 5.49 2.01 -1.26 -4.96 115.64 121.91 2oii s THR 901 Ca 0.17 0.55 -0.09 0.00 0.31 0.00 0.00 61.69 62.63 2oii s THR 901 Cb -0.16 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2oii s THR 901 CO 0.15 0.12 0.91 1.23 -0.69 0.00 0.00 174.62 176.34 2oii h GLY 902 N 3.10 -0.36 -6.37 4.40 0.00 -2.00 -3.48 103.07 98.37 2oii h GLY 902 Ca -0.49 0.13 -0.38 0.00 0.00 0.00 0.00 47.33 46.58 2oii h GLY 902 CO 0.64 -0.13 -0.82 1.42 0.00 0.00 0.00 176.54 177.65 2oii n HIS 903 N -3.13 -2.14 0.65 5.60 -0.00 -1.26 -4.81 115.22 110.13 2oii n HIS 903 Ca -0.04 0.73 0.07 0.00 -0.00 0.00 0.00 57.72 58.48 2oii n HIS 903 Cb 0.13 -3.20 0.35 0.00 -0.00 0.00 0.00 29.99 27.27 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 -3.04 0.19 0.00 -0.41 1.85 -1.26 -3.64 116.66 110.35 2oii n ARG 904 Ca -0.18 0.16 0.01 0.00 -1.00 0.00 0.00 57.85 56.83 2oii n ARG 904 Cb 0.62 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.56 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 -1.29 0.00 -1.26 2.89 -0.00 -1.26 -4.95 115.22 109.35 2oii n HIS 905 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2oii n HIS 905 Cb 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 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 -0.84 0.00 0.00 1.57 0.28 -0.24 -5.13 120.64 116.28 2oii n GLU 906 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2oii n GLU 906 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -4.06 3.44 4.81 14.17 -4.64 118.16 131.88 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 -2.88 1.91 -0.16 3.15 1.01 -1.26 -2.69 120.40 119.48 2oii s VAL 908 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 2oii s VAL 908 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2oii s VAL 908 CO 0.00 0.30 0.05 -0.70 0.00 0.00 0.00 175.10 174.74 2oii s GLU 909 N 1.30 3.76 -0.25 2.72 2.56 0.30 -4.44 118.70 124.65 2oii s GLU 909 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.97 54.52 2oii s GLU 909 Cb -0.15 -3.12 0.10 0.00 2.00 0.00 0.00 34.13 32.96 2oii s GLU 909 CO -0.10 0.37 0.54 0.00 -0.56 0.00 0.00 175.26 175.51 2oii s ALA 910 N 0.08 -1.59 0.04 6.30 0.00 -1.24 -0.90 121.76 124.46 2oii s ALA 910 Ca 0.04 1.94 -0.28 0.00 0.00 0.00 0.00 51.96 53.66 2oii s ALA 910 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2oii s ALA 910 CO 0.01 -0.76 0.90 0.08 0.00 0.00 0.00 175.76 175.99 2oii s VAL 911 N 2.56 4.74 0.73 0.00 1.01 -1.23 -2.48 120.40 125.73 2oii s VAL 911 Ca -0.05 1.91 -0.14 0.00 0.00 0.00 0.00 61.98 63.71 2oii s VAL 911 Cb -0.11 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.06 2oii s VAL 911 CO -0.16 0.26 1.15 -0.76 0.00 0.00 0.00 175.10 175.59 2oii s LEU 912 N 0.44 3.25 -0.03 3.92 1.43 0.26 -4.42 118.68 123.52 2oii s LEU 912 Ca 0.46 2.14 0.06 0.00 -1.03 0.00 0.00 54.13 55.76 2oii s LEU 912 Cb -0.21 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.43 2oii s LEU 912 CO 0.27 -2.12 -0.21 -0.55 0.23 0.00 0.00 176.35 173.96 2oii s SER 913 N -2.48 2.55 0.71 2.29 0.15 -0.81 -3.45 113.70 112.65 2oii s SER 913 Ca 0.69 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.78 2oii s SER 913 Cb -0.24 -0.51 0.03 0.00 -1.71 0.00 0.00 66.02 63.59 2oii s SER 913 CO 0.47 0.23 1.18 0.00 1.20 0.00 0.00 173.24 176.32 2oii s ARG 914 N -0.26 2.33 0.00 5.44 1.70 -1.26 -1.06 118.95 125.85 2oii s ARG 914 Ca 0.02 1.68 0.00 0.00 -0.47 0.00 0.00 55.73 56.95 2oii s ARG 914 Cb -0.11 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 2oii s ARG 914 CO 0.01 -1.67 0.00 0.45 -1.08 0.00 0.00 175.30 173.01 2oii n SER 915 N -2.60 0.00 0.00 -2.89 2.88 -1.26 -4.55 113.62 105.20 2oii n SER 915 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2oii n SER 915 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 1.06 4.41 -0.96 -3.46 3.02 -1.21 -5.14 115.26 112.98 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 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 39.95 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 -1.37 -2.13 0.00 3.52 6.02 -0.22 -4.74 117.38 118.46 2oii n GLN 917 Ca 0.00 1.65 0.00 0.00 -0.01 0.00 0.00 57.00 58.64 2oii n GLN 917 Cb 0.04 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 28.79 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 -3.65 3.51 2.86 1.08 0.00 -1.26 -4.43 105.19 103.29 2oii n GLY 918 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -8.13 -3.00 1.61 0.31 -1.26 -1.93 118.33 105.92 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 -5.18 -0.03 0.00 -0.91 0.00 0.00 33.84 27.72 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 -0.94 3.45 -0.06 3.52 0.00 -1.22 -3.95 121.76 122.56 2oii s ALA 920 Ca -0.08 -2.68 -0.15 0.00 0.00 0.00 0.00 51.96 49.04 2oii s ALA 920 Cb 0.01 -3.88 -0.30 0.00 0.00 0.00 0.00 23.12 18.94 2oii s ALA 920 CO 0.48 -2.77 0.69 0.07 0.00 0.00 0.00 175.76 174.22 2oii h ARG 921 N 8.80 0.33 -2.76 0.00 0.11 -1.77 -3.28 114.38 115.82 2oii h ARG 921 Ca 0.04 -0.57 -0.77 0.00 0.10 0.00 0.00 59.98 58.78 2oii h ARG 921 Cb 1.04 0.21 -0.31 0.00 1.11 0.00 0.00 29.97 32.03 2oii h ARG 921 CO 1.06 1.27 0.54 0.28 0.10 0.00 0.00 179.97 183.22 2oii n VAL 922 N -3.83 4.83 -3.26 0.08 0.31 -1.26 -4.43 118.33 110.77 2oii n VAL 922 Ca -0.22 -5.82 -0.39 0.00 -0.01 0.00 0.00 64.34 57.90 2oii n VAL 922 Cb 0.97 -2.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.79 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 -1.94 6.95 -0.26 4.52 2.15 -1.25 -3.47 116.67 123.37 2oii s ASP 923 Ca 0.33 1.13 -0.02 0.00 0.43 0.00 0.00 52.55 54.43 2oii s ASP 923 Cb 0.07 -2.34 0.12 0.00 -0.30 0.00 0.00 42.92 40.47 2oii s ASP 923 CO 0.08 0.16 0.27 -0.55 -0.17 0.00 0.00 175.17 174.96 2oii s SER 924 N -0.43 1.61 -0.67 -0.34 0.15 -0.08 -5.01 113.70 108.93 2oii s SER 924 Ca 0.29 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.32 2oii s SER 924 Cb -0.18 0.46 0.17 0.00 -1.71 0.00 0.00 66.02 64.77 2oii s SER 924 CO 0.17 -0.37 0.51 -0.83 1.20 0.00 0.00 173.24 173.91 2oii s GLY 925 N 2.35 2.57 -0.07 9.45 0.00 -1.26 -0.54 107.32 119.82 2oii s GLY 925 Ca 0.09 -3.33 0.03 0.00 0.00 0.00 0.00 44.72 41.51 2oii s GLY 925 CO -0.26 1.13 0.93 0.61 0.00 0.00 0.00 173.10 175.51 2oii n GLY 926 N 3.44 2.09 0.00 0.20 0.00 -1.10 -5.02 105.19 104.81 2oii n GLY 926 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.14 0.00 -4.68 2.61 -1.04 -1.26 -3.48 114.28 106.57 2oii n THR 946 Ca 0.09 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 2oii n THR 946 Cb 0.57 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.94 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 2.84 0.22 -4.42 1.43 -1.26 -4.98 118.68 112.51 2oii s LEU 947 Ca 0.00 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2oii s LEU 947 Cb 0.00 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2oii s LEU 947 CO 0.00 0.16 0.44 -0.83 0.23 0.00 0.00 176.35 176.36 2oii s GLY 948 N 0.36 0.40 -0.10 -3.19 0.00 -1.26 -5.02 107.32 98.51 2oii s GLY 948 Ca -0.09 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2oii s GLY 948 CO 0.05 -0.60 -0.22 -1.34 0.00 0.00 0.00 173.10 170.98 2oii s VAL 949 N -3.98 2.24 0.06 1.40 -7.23 -1.26 -3.46 120.40 108.16 2oii s VAL 949 Ca 0.19 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 59.44 2oii s VAL 949 Cb 0.00 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 2oii s VAL 949 CO 0.05 0.55 -0.12 0.72 -0.31 0.00 0.00 175.10 175.99 2oii s PHE 950 N 0.31 1.01 0.03 2.82 -0.12 -1.24 -4.97 117.98 115.83 2oii s PHE 950 Ca -0.17 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.26 2oii s PHE 950 Cb -0.17 -0.58 0.00 0.00 -0.63 0.00 0.00 43.02 41.63 2oii s PHE 950 CO 0.08 0.01 0.00 0.43 -0.05 0.00 0.00 175.22 175.69 2oii n SER 951 N 1.46 0.34 0.00 1.98 7.64 -1.26 -4.27 113.62 119.51 2oii n SER 951 Ca -0.21 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2oii n SER 951 Cb 0.54 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -3.15 0.08 0.00 -3.43 7.94 -1.26 -4.83 117.00 112.35 2oii n LEU 952 Ca 0.00 0.75 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 2oii n LEU 952 Cb 0.34 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2oii n LEU 952 CO 0.00 -0.28 0.00 2.30 -1.11 0.00 0.00 177.39 178.30 2oii n ILE 953 N -1.35 0.00 0.00 1.96 -5.35 -1.26 -4.54 119.36 108.82 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 -4.68 117.00 113.79 2oii n LEU 954 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 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 1.41 -2.16 -0.00 0.00 0.00 177.39 176.64 2oii s PRO 955 N 0.00 2.94 0.05 1.47 0.04 -1.26 -4.89 135.00 133.35 2oii s PRO 955 Ca 0.00 -0.16 0.08 0.00 0.04 0.00 0.00 61.00 60.96 2oii s PRO 955 Cb 0.00 -4.69 -0.03 0.00 0.04 0.00 0.00 34.50 29.82 2oii s PRO 955 CO 0.00 -2.64 -0.23 -0.51 0.04 0.00 0.00 177.00 173.66 2oii s LEU 956 N 7.68 2.18 0.37 -3.56 1.02 -1.26 -5.01 118.68 120.10 2oii s LEU 956 Ca 0.56 -0.56 -0.15 0.00 0.02 0.00 0.00 54.13 53.99 2oii s LEU 956 Cb -0.08 -1.07 -0.09 0.00 0.02 0.00 0.00 46.19 44.98 2oii s LEU 956 CO 0.08 0.18 0.79 -1.10 0.02 0.00 0.00 176.35 176.32 2oii s GLN 957 N -1.28 3.99 -0.10 1.70 -0.21 -1.26 -4.98 119.66 117.52 2oii s GLN 957 Ca 0.09 0.71 -0.29 0.00 0.02 0.00 0.00 55.36 55.89 2oii s GLN 957 Cb -0.09 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2oii s GLN 957 CO 0.02 0.07 1.50 0.00 -2.12 0.00 0.00 175.29 174.76 2oii s ALA 958 N -2.13 3.63 0.00 6.09 0.00 -1.26 -2.80 121.76 125.29 2oii s ALA 958 Ca 0.55 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2oii s ALA 958 Cb -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2oii s ALA 958 CO 0.20 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2oii n GLY 959 N 3.94 3.18 3.26 0.00 0.00 0.05 -4.96 105.19 110.66 2oii n GLY 959 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 0.10 -2.51 -3.95 1.61 9.92 -1.12 -4.43 116.55 116.17 2oii n ASP 960 Ca 0.00 -0.23 -0.18 0.00 -0.53 0.00 0.00 54.79 53.85 2oii n ASP 960 Cb 0.00 -0.97 -0.15 0.00 -0.64 0.00 0.00 41.12 39.36 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 0.54 -0.00 -3.53 2.01 -1.25 -3.55 115.64 107.63 2oii s THR 961 Ca 0.56 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.29 2oii s THR 961 Cb -0.13 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2oii s THR 961 CO 0.61 0.19 0.22 0.68 -0.69 0.00 0.00 174.62 175.63 2oii s VAL 962 N 0.31 5.37 0.02 3.82 -7.23 -1.23 -4.05 120.40 117.42 2oii s VAL 962 Ca -0.04 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 2oii s VAL 962 Cb -0.08 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 2oii s VAL 962 CO -0.00 0.35 -0.05 0.00 -0.31 0.00 0.00 175.10 175.10 2oii s VAL 964 N -0.91 5.20 -0.19 0.00 1.01 -1.26 0.91 120.40 125.15 2oii s VAL 964 Ca -0.08 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 2oii s VAL 964 Cb -0.07 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2oii s VAL 964 CO -0.00 0.51 0.35 -0.62 0.00 0.00 0.00 175.10 175.34 2oii s ASP 965 N -0.49 6.40 -0.44 3.32 -1.08 -1.04 -4.77 116.67 118.57 2oii s ASP 965 Ca 0.21 0.47 0.09 0.00 -0.52 0.00 0.00 52.55 52.80 2oii s ASP 965 Cb -0.15 -2.21 0.33 0.00 -1.46 0.00 0.00 42.92 39.44 2oii s ASP 965 CO 0.09 -0.02 0.78 -0.11 0.52 0.00 0.00 175.17 176.43 2oii n LEU 966 N 4.22 1.94 -3.21 -1.34 0.00 -1.26 -3.59 117.00 113.76 2oii n LEU 966 Ca -0.10 -5.19 -0.00 0.00 0.00 0.00 0.00 56.01 50.71 2oii n LEU 966 Cb 0.51 0.29 -0.02 0.00 0.00 0.00 0.00 43.42 44.21 2oii n LEU 966 CO 0.39 2.28 0.05 -0.69 0.00 0.00 0.00 177.39 179.43 2oii s VAL 967 N -2.91 -0.90 -0.38 1.96 1.01 -1.26 -5.05 120.40 112.88 2oii s VAL 967 Ca 0.42 -0.11 0.12 0.00 0.00 0.00 0.00 61.98 62.41 2oii s VAL 967 Cb 0.31 -0.68 0.36 0.00 0.00 0.00 0.00 36.38 36.36 2oii s VAL 967 CO -0.10 -0.09 0.82 0.23 0.00 0.00 0.00 175.10 175.97 2oii n MET 968 N 5.04 1.00 0.00 2.72 2.81 -1.26 -5.03 117.12 122.40 2oii n MET 968 Ca 0.06 -3.14 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 2oii n MET 968 Cb 0.54 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.22 3.44 0.12 3.03 0.00 -1.26 -4.25 105.19 106.49 2oii n GLY 969 Ca 0.20 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2oii n GLY 969 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2oii h GLN 970 N 0.00 0.23 -5.37 1.61 -0.00 -2.02 -3.42 115.11 106.14 2oii h GLN 970 Ca 0.00 -0.39 -0.04 0.00 -0.00 0.00 0.00 58.65 58.21 2oii h GLN 970 Cb 0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 27.62 2oii h GLN 970 CO 0.00 1.19 0.11 -1.17 -0.00 0.00 0.00 178.83 178.96 2oii s LEU 971 N -7.66 2.85 0.00 0.06 2.96 -1.26 -4.79 118.68 110.85 2oii s LEU 971 Ca -0.19 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2oii s LEU 971 Cb 0.03 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.17 2oii s LEU 971 CO 0.77 -3.83 0.00 0.00 -1.32 0.00 0.00 176.35 171.96 2oii n ALA 972 N 18.24 0.00 -2.68 5.97 0.00 -1.26 -5.14 120.51 135.63 2oii n ALA 972 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 2oii n ALA 972 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.48 2.01 -0.20 0.00 2.46 -1.26 -5.13 115.29 112.69 2oii s HIS 973 Ca 0.00 -0.93 -0.10 0.00 0.47 0.00 0.00 55.06 54.50 2oii s HIS 973 Cb 0.00 -1.58 -0.05 0.00 -0.13 0.00 0.00 32.58 30.82 2oii s HIS 973 CO 0.00 0.21 0.13 0.45 -2.47 0.00 0.00 174.74 173.06 2oii s SER 974 N -3.79 6.21 0.10 9.88 0.15 -1.26 -5.08 113.70 119.92 2oii s SER 974 Ca 0.16 0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 2oii s SER 974 Cb 0.04 -2.09 0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2oii s SER 974 CO 0.08 0.18 0.49 -0.70 1.20 0.00 0.00 173.24 174.49 2oii s GLU 975 N 0.38 1.10 -0.39 5.44 -6.30 -1.26 -5.12 118.70 112.55 2oii s GLU 975 Ca 0.08 -0.47 0.02 0.00 -2.50 0.00 0.00 54.97 52.10 2oii s GLU 975 Cb -0.11 0.50 0.15 0.00 0.00 0.00 0.00 34.13 34.67 2oii s GLU 975 CO -0.02 -0.43 0.26 -1.83 0.02 0.00 0.00 175.26 173.26 2oii s GLU 976 N -3.25 0.78 0.29 4.30 4.04 -1.26 -5.13 118.70 118.46 2oii s GLU 976 Ca -0.01 -1.68 -0.05 0.00 0.04 0.00 0.00 54.97 53.27 2oii s GLU 976 Cb 0.00 -1.50 0.07 0.00 0.02 0.00 0.00 34.13 32.72 2oii s GLU 976 CO -0.08 -1.26 0.29 -0.35 -1.84 0.00 0.00 175.26 172.02 2oii n PRO 977 N 3.58 -1.18 -4.27 -4.83 -0.04 -1.26 -5.05 135.00 121.96 2oii n PRO 977 Ca 0.17 -0.46 -0.19 0.00 -0.04 0.00 0.00 63.50 62.98 2oii n PRO 977 Cb 0.40 -0.39 -0.11 0.00 -0.04 0.00 0.00 33.50 33.36 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 2.41 -0.12 1.53 1.02 -1.26 -4.98 118.68 117.29 2oii s LEU 978 Ca 0.18 -0.83 -0.13 0.00 0.02 0.00 0.00 54.13 53.38 2oii s LEU 978 Cb -0.01 -0.64 0.03 0.00 0.02 0.00 0.00 46.19 45.59 2oii s LEU 978 CO 0.14 -0.11 0.35 0.42 0.02 0.00 0.00 176.35 177.16 2oii s THR 979 N -2.11 0.01 -0.18 5.49 -4.23 -1.26 -4.86 115.64 108.50 2oii s THR 979 Ca 0.11 -0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.52 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 0.04 -0.03 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.45 2oii s ILE 980 N 0.01 4.09 -0.38 2.99 -1.09 -1.26 -4.38 121.20 121.17 2oii s ILE 980 Ca -0.02 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2oii s ILE 980 Cb -0.03 -2.82 0.11 0.00 -1.58 0.00 0.00 42.46 38.14 2oii s ILE 980 CO 0.01 0.46 0.11 0.12 -1.23 0.00 0.00 174.94 174.41 2oii s PHE 981 N 0.57 3.31 0.23 3.97 2.19 -1.22 -3.10 117.98 123.94 2oii s PHE 981 Ca -0.01 -2.87 0.08 0.00 0.33 0.00 0.00 56.93 54.46 2oii s PHE 981 Cb -0.14 -2.71 -0.04 0.00 -1.31 0.00 0.00 43.02 38.82 2oii s PHE 981 CO 0.02 -0.89 0.09 -1.54 1.83 0.00 0.00 175.22 174.74 2oii s SER 982 N 0.70 5.10 -0.30 6.13 1.04 -1.22 -2.74 113.70 122.41 2oii s SER 982 Ca 0.12 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2oii s SER 982 Cb -0.21 -1.17 0.18 0.00 0.10 0.00 0.00 66.02 64.92 2oii s SER 982 CO -0.08 0.01 1.05 -0.83 0.98 0.00 0.00 173.24 174.37 2oii s GLY 983 N -3.54 -0.40 0.07 7.32 0.00 -0.35 -3.01 107.32 107.40 2oii s GLY 983 Ca 0.31 2.71 0.04 0.00 0.00 0.00 0.00 44.72 47.79 2oii s GLY 983 CO 0.22 3.85 -0.01 0.00 0.00 0.00 0.00 173.10 177.16 2oii s ALA 984 N 2.96 3.25 0.22 3.20 0.00 -1.00 -2.55 121.76 127.83 2oii s ALA 984 Ca 0.01 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 2oii s ALA 984 Cb -0.09 -1.19 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 2oii s ALA 984 CO -0.12 0.68 1.32 -1.17 0.00 0.00 0.00 175.76 176.47 2oii s LEU 985 N -2.11 4.42 -0.10 0.00 2.96 -1.19 -2.54 118.68 120.12 2oii s LEU 985 Ca 0.24 2.46 -0.11 0.00 -0.22 0.00 0.00 54.13 56.49 2oii s LEU 985 Cb -0.12 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2oii s LEU 985 CO 0.16 -0.54 -0.23 -0.11 -1.32 0.00 0.00 176.35 174.31 2oii n LEU 986 N 2.35 1.61 -3.86 -0.68 7.94 -1.21 -4.87 117.00 118.29 2oii n LEU 986 Ca 0.05 0.26 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 2oii n LEU 986 Cb 0.42 -0.59 -0.11 0.00 0.53 0.00 0.00 43.42 43.67 2oii n LEU 986 CO 0.58 -0.34 -0.20 -0.47 -1.11 0.00 0.00 177.39 175.85 2oii s TYR 987 N -2.57 -0.03 0.31 1.96 5.04 -0.67 -5.05 117.35 116.35 2oii s TYR 987 Ca -0.20 0.07 0.09 0.00 -2.44 0.00 0.00 57.07 54.59 2oii s TYR 987 Cb 0.03 -0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.29 2oii s TYR 987 CO 0.29 -0.19 0.07 0.20 -1.34 0.00 0.00 175.55 174.58 2oii s GLY 988 N -0.74 1.86 -0.37 8.97 0.00 -1.26 -1.24 107.32 114.55 2oii s GLY 988 Ca -0.08 -1.79 -0.29 0.00 0.00 0.00 0.00 44.72 42.56 2oii s GLY 988 CO 0.01 -1.76 1.32 0.99 0.00 0.00 0.00 173.10 173.65 2oii s ASP 989 N -3.77 6.54 -1.25 1.64 1.01 -0.86 -4.84 116.67 115.14 2oii s ASP 989 Ca 0.35 0.96 -0.10 0.00 0.71 0.00 0.00 52.55 54.48 2oii s ASP 989 Cb -0.03 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.53 2oii s ASP 989 CO 0.21 -1.24 1.77 -0.81 0.21 0.00 0.00 175.17 175.31 2oii n PRO 990 N 7.67 3.65 0.00 8.23 -0.04 -1.26 -4.83 135.00 148.42 2oii n PRO 990 Ca 0.15 -3.67 0.00 0.00 -0.04 0.00 0.00 63.50 59.94 2oii n PRO 990 Cb 0.47 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 3.92 0.00 -1.39 0.54 1.02 -1.26 -4.72 120.64 118.75 2oii n GLU 991 Ca 0.38 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.40 2oii n GLU 991 Cb 0.37 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 -0.86 -4.92 -4.62 4.77 -1.26 -4.93 117.00 105.17 2oii n LEU 992 Ca 0.00 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 2oii n LEU 992 Cb 0.00 -1.83 -0.02 0.00 -2.33 0.00 0.00 43.42 39.23 2oii n LEU 992 CO 0.00 -0.59 0.15 -1.61 -1.33 0.00 0.00 177.39 174.02 2oii s GLU 993 N -3.09 3.55 -0.34 3.23 2.02 -1.26 -5.08 118.70 117.72 2oii s GLU 993 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 54.79 2oii s GLU 993 Cb 0.00 -2.69 0.15 0.00 0.10 0.00 0.00 34.13 31.68 2oii s GLU 993 CO 0.00 0.23 0.32 -1.01 0.02 0.00 0.00 175.26 174.81 2oii s HIS 994 N -2.14 -0.16 -1.22 1.61 3.76 -1.26 -5.25 115.29 110.64 2oii s HIS 994 Ca 0.41 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2oii s HIS 994 Cb -0.10 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.07 2oii s HIS 994 CO 0.32 -0.93 0.30 0.00 -0.85 0.00 0.00 174.74 173.59