#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eyh s ASP 866 N 0.00 6.22 0.00 -1.34 -1.08 -1.26 -4.96 116.67 114.24 3eyh s ASP 866 Ca 0.00 -0.39 0.19 0.00 -0.52 0.00 0.00 52.55 51.83 3eyh s ASP 866 Cb 0.00 -2.23 0.87 0.00 -1.46 0.00 0.00 42.92 40.10 3eyh s ASP 866 CO 0.00 -0.49 1.59 -0.81 0.52 0.00 0.00 175.17 175.99 3eyh n PRO 867 N 5.59 0.12 0.00 4.34 -0.04 -1.26 -3.15 135.00 140.60 3eyh n PRO 867 Ca -0.07 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 3eyh n PRO 867 Cb 0.48 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.69 3eyh n PRO 867 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3eyh n THR 868 N -1.41 0.00 -4.15 0.52 -2.24 -1.26 -4.90 114.28 100.84 3eyh n THR 868 Ca 0.07 -0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 3eyh n THR 868 Cb 0.19 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 3eyh n THR 868 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3eyh s HIS 869 N -2.75 2.10 -0.25 4.78 3.76 -1.19 -4.81 115.29 116.94 3eyh s HIS 869 Ca 0.17 -0.75 -0.13 0.00 -0.15 0.00 0.00 55.06 54.20 3eyh s HIS 869 Cb 0.18 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 3eyh s HIS 869 CO 0.63 -0.06 0.28 -0.06 -0.85 0.00 0.00 174.74 174.69 3eyh s PHE 870 N -2.72 3.29 -0.00 1.40 0.40 0.17 -4.95 117.98 115.58 3eyh s PHE 870 Ca 0.31 0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 56.69 3eyh s PHE 870 Cb 0.01 -2.43 -0.06 0.00 0.51 0.00 0.00 43.02 41.06 3eyh s PHE 870 CO 0.18 -0.07 1.41 -1.21 0.70 0.00 0.00 175.22 176.23 3eyh s GLU 871 N 1.51 4.28 0.29 0.44 2.02 -1.26 -4.33 118.70 121.64 3eyh s GLU 871 Ca 0.12 1.98 0.02 0.00 0.02 0.00 0.00 54.97 57.11 3eyh s GLU 871 Cb -0.15 -3.58 0.58 0.00 0.10 0.00 0.00 34.13 31.08 3eyh s GLU 871 CO 0.08 -0.58 1.83 -0.22 0.02 0.00 0.00 175.26 176.39 3eyh h LYS 872 N 7.87 0.94 0.00 1.61 3.64 -1.96 -1.70 116.57 126.98 3eyh h LYS 872 Ca -0.38 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3eyh h LYS 872 Cb 1.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3eyh h LYS 872 CO 0.90 0.62 0.00 0.07 -2.27 0.00 0.00 179.45 178.78 3eyh h ARG 873 N 0.97 0.00 -0.02 1.90 0.11 -2.00 -2.49 114.38 112.85 3eyh h ARG 873 Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 3eyh h ARG 873 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3eyh h ARG 873 CO -0.27 0.00 -0.27 1.19 0.10 0.00 0.00 179.97 180.72 3eyh n PHE 874 N -2.92 0.00 -2.75 4.08 3.72 -0.66 -4.72 117.46 114.21 3eyh n PHE 874 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3eyh n PHE 874 Cb 0.22 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 3eyh n PHE 874 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3eyh s LEU 875 N -2.03 4.30 -0.33 4.37 1.43 -0.94 -1.56 118.68 123.92 3eyh s LEU 875 Ca 0.18 -1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.05 3eyh s LEU 875 Cb 0.15 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.90 3eyh s LEU 875 CO 0.40 -1.22 1.22 -0.54 0.23 0.00 0.00 176.35 176.43 3eyh s LYS 876 N 3.66 3.92 0.20 1.70 -0.14 -0.28 -4.87 119.74 123.93 3eyh s LYS 876 Ca 0.41 1.09 -0.31 0.00 -1.36 0.00 0.00 55.97 55.81 3eyh s LYS 876 Cb -0.02 -3.85 -0.09 0.00 -1.68 0.00 0.00 37.83 32.19 3eyh s LYS 876 CO -0.07 -1.11 1.42 0.50 -0.76 0.00 0.00 175.35 175.33 3eyh s ARG 877 N 4.09 4.30 -0.02 1.68 3.52 -1.26 -1.45 118.95 129.80 3eyh s ARG 877 Ca 0.52 2.21 -0.05 0.00 -0.13 0.00 0.00 55.73 58.28 3eyh s ARG 877 Cb -0.14 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3eyh s ARG 877 CO 0.22 -0.42 -0.11 -0.89 -0.81 0.00 0.00 175.30 173.30 3eyh n ILE 878 N 3.01 0.99 -3.60 4.11 5.41 0.01 -4.92 119.36 124.38 3eyh n ILE 878 Ca 0.09 0.16 -0.16 0.00 1.00 0.00 0.00 62.75 63.84 3eyh n ILE 878 Cb 0.41 -1.74 -0.07 0.00 -0.71 0.00 0.00 39.64 37.53 3eyh n ILE 878 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3eyh s ARG 879 N -2.23 0.90 0.27 0.38 3.52 -1.07 -4.99 118.95 115.73 3eyh s ARG 879 Ca -0.10 0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.67 3eyh s ARG 879 Cb 0.02 0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 33.75 3eyh s ARG 879 CO 0.13 -0.22 1.14 -0.51 -0.81 0.00 0.00 175.30 175.03 3eyh s ASP 880 N -0.60 7.18 -0.14 -2.12 1.01 -1.26 0.35 116.67 121.08 3eyh s ASP 880 Ca -0.07 2.31 -0.04 0.00 0.71 0.00 0.00 52.55 55.46 3eyh s ASP 880 Cb -0.02 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 3eyh s ASP 880 CO 0.06 -0.23 -0.17 0.18 0.21 0.00 0.00 175.17 175.22 3eyh n LEU 881 N 1.38 1.71 -3.65 1.23 4.77 0.14 -4.78 117.00 117.80 3eyh n LEU 881 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3eyh n LEU 881 Cb 0.44 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3eyh n LEU 881 CO 0.55 0.45 0.99 -0.83 -1.33 0.00 0.00 177.39 177.22 3eyh s GLY 882 N -5.29 -0.38 -0.17 -0.72 0.00 -0.71 -5.00 107.32 95.06 3eyh s GLY 882 Ca -0.20 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.11 3eyh s GLY 882 CO 0.28 0.10 -0.19 1.85 0.00 0.00 0.00 173.10 175.14 3eyh s GLU 883 N -2.61 3.05 0.00 2.90 2.12 -1.26 0.89 118.70 123.79 3eyh s GLU 883 Ca 0.14 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.66 3eyh s GLU 883 Cb 0.03 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.84 3eyh s GLU 883 CO -0.03 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 3eyh n GLY 884 N 4.46 0.91 0.10 -1.50 0.00 0.15 -4.97 105.19 104.34 3eyh n GLY 884 Ca -0.20 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 3eyh n GLY 884 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3eyh h HIS 885 N -0.06 -0.10 -0.04 1.61 -0.00 -2.00 -3.39 115.15 111.17 3eyh h HIS 885 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3eyh h HIS 885 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 3eyh h HIS 885 CO 0.00 0.45 0.00 1.19 -0.00 0.00 0.00 177.93 179.57 3eyh n PHE 886 N -4.84 0.05 -3.65 2.45 3.72 -1.26 -4.84 117.46 109.09 3eyh n PHE 886 Ca -0.08 -0.08 -0.10 0.00 -0.05 0.00 0.00 57.45 57.14 3eyh n PHE 886 Cb 0.30 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 3eyh n PHE 886 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3eyh s GLY 887 N -0.68 -0.24 0.14 1.37 0.00 -1.25 -3.95 107.32 102.71 3eyh s GLY 887 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.79 3eyh s GLY 887 CO 0.09 -0.26 0.17 0.54 0.00 0.00 0.00 173.10 173.64 3eyh s LYS 888 N -3.82 3.06 -0.14 2.90 1.02 0.94 0.31 119.74 124.00 3eyh s LYS 888 Ca 0.05 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 3eyh s LYS 888 Cb 0.01 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3eyh s LYS 888 CO -0.09 0.51 -0.13 0.08 -0.92 0.00 0.00 175.35 174.80 3eyh s VAL 889 N -1.68 3.06 0.11 3.17 1.01 0.26 -1.11 120.40 125.21 3eyh s VAL 889 Ca 0.32 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3eyh s VAL 889 Cb -0.11 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3eyh s VAL 889 CO 0.25 0.52 -0.18 -1.61 0.00 0.00 0.00 175.10 174.07 3eyh s GLU 890 N 0.42 1.08 -0.03 2.72 2.02 -0.42 0.24 118.70 124.74 3eyh s GLU 890 Ca -0.10 -1.18 -0.24 0.00 0.02 0.00 0.00 54.97 53.48 3eyh s GLU 890 Cb -0.16 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.81 3eyh s GLU 890 CO 0.05 0.27 0.71 -1.17 0.02 0.00 0.00 175.26 175.14 3eyh s LEU 891 N -2.09 4.36 0.08 1.80 2.96 0.15 -0.73 118.68 125.23 3eyh s LEU 891 Ca 0.07 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.28 3eyh s LEU 891 Cb -0.09 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3eyh s LEU 891 CO 0.04 -0.06 -0.10 0.00 -1.32 0.00 0.00 176.35 174.91 3eyh s ARG 893 N -2.48 3.99 -0.61 0.00 3.52 -0.53 -0.04 118.95 122.80 3eyh s ARG 893 Ca 0.02 -0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.08 3eyh s ARG 893 Cb -0.05 -3.63 0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3eyh s ARG 893 CO 0.00 -0.14 1.18 -0.47 -0.81 0.00 0.00 175.30 175.07 3eyh s TYR 894 N 1.63 2.56 -0.55 5.12 5.04 -0.28 -1.13 117.35 129.75 3eyh s TYR 894 Ca 0.08 0.26 0.07 0.00 -2.44 0.00 0.00 57.07 55.04 3eyh s TYR 894 Cb -0.15 -4.49 0.29 0.00 0.35 0.00 0.00 41.96 37.96 3eyh s TYR 894 CO 0.09 -1.66 0.78 -3.47 -1.34 0.00 0.00 175.55 169.95 3eyh n ASP 895 N 8.52 3.10 0.27 4.32 2.03 -0.60 -3.46 116.55 130.73 3eyh n ASP 895 Ca 0.06 -3.36 0.16 0.00 0.52 0.00 0.00 54.79 52.18 3eyh n ASP 895 Cb 0.49 -0.62 0.70 0.00 -0.72 0.00 0.00 41.12 40.96 3eyh n ASP 895 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3eyh h PRO 896 N 3.61 0.00 0.00 -0.67 0.13 -1.92 -2.07 132.00 131.07 3eyh h PRO 896 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3eyh h PRO 896 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3eyh h PRO 896 CO 0.73 0.06 -0.27 0.93 -0.23 0.00 0.00 178.00 179.22 3eyh h GLU 897 N 0.00 0.00 -0.21 0.86 5.08 -1.98 -3.48 114.58 114.86 3eyh h GLU 897 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3eyh h GLU 897 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3eyh h GLU 897 CO 0.01 0.00 -0.08 0.41 -1.00 0.00 0.00 179.01 178.35 3eyh n GLY 898 N 1.28 0.69 0.63 -3.84 0.00 -0.78 -4.90 105.19 98.27 3eyh n GLY 898 Ca 0.04 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.73 3eyh n GLY 898 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3eyh n ASP 899 N 0.29 3.17 -3.00 1.61 5.68 -1.26 -4.97 116.55 118.06 3eyh n ASP 899 Ca -0.04 -2.49 -0.22 0.00 -0.50 0.00 0.00 54.79 51.55 3eyh n ASP 899 Cb 0.22 -0.35 0.02 0.00 -1.14 0.00 0.00 41.12 39.87 3eyh n ASP 899 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3eyh n ASN 900 N -0.14 -5.20 -0.54 -1.12 4.13 -1.26 -4.87 115.26 106.26 3eyh n ASN 900 Ca 0.15 -0.24 0.08 0.00 1.68 0.00 0.00 54.58 56.25 3eyh n ASN 900 Cb 0.61 -4.25 0.04 0.00 -1.54 0.00 0.00 39.78 34.63 3eyh n ASN 900 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3eyh n THR 901 N -4.19 0.00 -1.25 3.41 -2.24 -1.26 -5.01 114.28 103.74 3eyh n THR 901 Ca -0.10 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.94 3eyh n THR 901 Cb 0.60 1.28 0.10 0.00 -2.10 0.00 0.00 70.33 70.21 3eyh n THR 901 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3eyh s GLY 902 N -1.65 1.77 0.29 3.38 0.00 -1.26 -5.04 107.32 104.82 3eyh s GLY 902 Ca 0.17 0.38 -0.08 0.00 0.00 0.00 0.00 44.72 45.19 3eyh s GLY 902 CO 0.30 0.74 0.60 -1.83 0.00 0.00 0.00 173.10 172.92 3eyh s GLU 903 N -4.72 3.73 0.21 2.90 -1.05 -1.22 -4.77 118.70 113.79 3eyh s GLU 903 Ca 0.63 0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 55.37 3eyh s GLU 903 Cb -0.19 -2.59 -0.08 0.00 -0.44 0.00 0.00 34.13 30.83 3eyh s GLU 903 CO 0.54 0.19 1.18 -0.65 0.95 0.00 0.00 175.26 177.47 3eyh s GLN 904 N -3.35 4.52 0.12 -4.83 -0.21 -1.26 -1.13 119.66 113.51 3eyh s GLN 904 Ca 0.47 1.87 0.02 0.00 0.02 0.00 0.00 55.36 57.74 3eyh s GLN 904 Cb -0.11 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.64 3eyh s GLN 904 CO 0.27 -0.03 -0.06 0.14 -2.12 0.00 0.00 175.29 173.49 3eyh s VAL 905 N -0.35 0.76 -0.12 1.09 -7.23 0.95 -4.28 120.40 111.21 3eyh s VAL 905 Ca 0.51 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3eyh s VAL 905 Cb -0.33 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3eyh s VAL 905 CO 0.38 -0.79 0.09 0.00 -0.31 0.00 0.00 175.10 174.48 3eyh s ALA 906 N -3.59 3.65 -0.12 1.32 0.00 -0.18 -1.32 121.76 121.53 3eyh s ALA 906 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3eyh s ALA 906 Cb 0.05 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3eyh s ALA 906 CO -0.03 0.53 -0.11 0.08 0.00 0.00 0.00 175.76 176.23 3eyh s VAL 907 N -0.73 1.28 -0.32 0.00 1.01 0.09 -0.87 120.40 120.87 3eyh s VAL 907 Ca 0.13 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3eyh s VAL 907 Cb -0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3eyh s VAL 907 CO 0.03 0.41 0.19 -0.75 0.00 0.00 0.00 175.10 174.97 3eyh s LYS 908 N 1.40 3.40 0.30 2.72 2.20 0.39 -1.29 119.74 128.85 3eyh s LYS 908 Ca 0.01 -0.69 0.10 0.00 -0.36 0.00 0.00 55.97 55.03 3eyh s LYS 908 Cb -0.13 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3eyh s LYS 908 CO -0.06 -0.43 -0.05 -1.12 -0.36 0.00 0.00 175.35 173.33 3eyh s SER 909 N 1.66 4.14 0.43 1.43 0.01 -0.27 -1.22 113.70 119.88 3eyh s SER 909 Ca 0.05 -0.89 -0.24 0.00 1.31 0.00 0.00 55.95 56.18 3eyh s SER 909 Cb -0.17 -0.57 -0.08 0.00 0.21 0.00 0.00 66.02 65.40 3eyh s SER 909 CO 0.08 -0.08 1.19 -0.76 0.41 0.00 0.00 173.24 174.08 3eyh s LEU 910 N -3.64 4.11 0.57 2.44 1.43 -1.26 -0.04 118.68 122.28 3eyh s LEU 910 Ca 0.32 2.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.63 3eyh s LEU 910 Cb -0.04 -4.11 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 3eyh s LEU 910 CO 0.18 -0.82 1.07 -0.54 0.23 0.00 0.00 176.35 176.47 3eyh s LYS 911 N -2.47 3.35 -0.63 1.70 1.02 -1.25 -4.69 119.74 116.76 3eyh s LYS 911 Ca 0.60 1.33 -0.28 0.00 0.02 0.00 0.00 55.97 57.64 3eyh s LYS 911 Cb -0.31 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 3eyh s LYS 911 CO 0.38 -0.80 2.49 -0.35 -0.92 0.00 0.00 175.35 176.15 3eyh n PRO 912 N -1.73 0.74 -1.72 -1.68 -0.04 -1.26 -5.07 135.00 124.24 3eyh n PRO 912 Ca 0.10 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3eyh n PRO 912 Cb 0.52 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 3eyh n PRO 912 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3eyh n GLU 913 N 8.80 -2.08 -0.25 0.54 0.00 -1.26 -5.26 120.64 121.13 3eyh n GLU 913 Ca 0.46 1.47 0.00 0.00 0.00 0.00 0.00 57.16 59.09 3eyh n GLU 913 Cb 0.37 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 29.90 3eyh n GLU 913 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3eyh n ASN 917 N 1.51 -1.89 -3.61 -1.84 5.15 -1.26 -5.13 115.26 108.19 3eyh n ASN 917 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 3eyh n ASN 917 Cb 0.00 -0.07 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 3eyh n ASN 917 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3eyh s HIS 918 N -0.44 -0.23 0.30 1.20 3.76 -1.26 -5.04 115.29 113.58 3eyh s HIS 918 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 3eyh s HIS 918 Cb 0.00 0.57 0.46 0.00 1.11 0.00 0.00 32.58 34.73 3eyh s HIS 918 CO 0.00 -0.59 1.86 0.97 -0.85 0.00 0.00 174.74 176.13 3eyh h ILE 919 N 2.00 1.21 -0.54 0.60 6.09 -1.93 -2.63 117.51 122.31 3eyh h ILE 919 Ca -0.22 -0.74 -0.02 0.00 -1.37 0.00 0.00 64.86 62.51 3eyh h ILE 919 Cb 1.23 0.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.15 3eyh h ILE 919 CO 0.28 0.28 0.27 0.00 -3.07 0.00 0.00 178.15 175.91 3eyh h ALA 920 N 1.40 1.46 -0.37 0.18 0.00 -1.96 -1.36 119.26 118.61 3eyh h ALA 920 Ca 0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3eyh h ALA 920 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3eyh h ALA 920 CO -0.01 0.43 -0.09 -0.44 0.00 0.00 0.00 179.25 179.15 3eyh h ASP 921 N 0.75 0.72 -0.10 0.00 3.32 -1.89 -2.01 116.42 117.21 3eyh h ASP 921 Ca 0.19 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 3eyh h ASP 921 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3eyh h ASP 921 CO -0.03 0.92 -0.40 0.25 -1.72 0.00 0.00 179.24 178.27 3eyh h LEU 922 N 0.52 0.66 -1.16 1.55 5.85 -1.31 -2.42 115.31 118.99 3eyh h LEU 922 Ca 0.09 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3eyh h LEU 922 Cb 0.60 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3eyh h LEU 922 CO 0.04 0.98 0.29 0.11 -0.34 0.00 0.00 178.44 179.52 3eyh h LYS 923 N 0.52 0.88 -0.68 1.25 1.57 -1.18 -0.38 116.57 118.54 3eyh h LYS 923 Ca 0.04 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3eyh h LYS 923 Cb 0.91 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3eyh h LYS 923 CO 0.08 0.68 0.14 0.87 -0.57 0.00 0.00 179.45 180.65 3eyh h LYS 924 N 0.87 1.11 -0.47 3.15 1.57 -1.13 -1.75 116.57 119.92 3eyh h LYS 924 Ca 0.22 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3eyh h LYS 924 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3eyh h LYS 924 CO -0.03 0.99 -0.10 1.49 -0.57 0.00 0.00 179.45 181.24 3eyh h GLU 925 N 1.04 0.86 -0.67 3.15 4.81 -0.92 -0.49 114.58 122.35 3eyh h GLU 925 Ca 0.21 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3eyh h GLU 925 Cb 0.40 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3eyh h GLU 925 CO 0.01 0.92 0.40 0.82 -0.73 0.00 0.00 179.01 180.42 3eyh h ILE 926 N 0.77 1.20 -0.56 2.32 2.04 -1.00 -0.68 117.51 121.60 3eyh h ILE 926 Ca 0.13 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3eyh h ILE 926 Cb 0.60 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3eyh h ILE 926 CO 0.04 0.21 0.17 -0.08 0.00 0.00 0.00 178.15 178.49 3eyh h GLU 927 N 0.92 0.88 0.05 2.37 4.57 -0.95 0.03 114.58 122.44 3eyh h GLU 927 Ca 0.24 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3eyh h GLU 927 Cb -0.01 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3eyh h GLU 927 CO -0.04 0.80 -0.02 0.82 -1.18 0.00 0.00 179.01 179.39 3eyh h ILE 928 N 0.79 0.98 0.00 2.32 1.08 -0.93 -3.05 117.51 118.71 3eyh h ILE 928 Ca 0.18 -0.09 -0.13 0.00 -0.39 0.00 0.00 64.86 64.43 3eyh h ILE 928 Cb 0.29 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 3eyh h ILE 928 CO -0.00 0.02 -0.63 0.25 -0.69 0.00 0.00 178.15 177.10 3eyh h LEU 929 N -0.10 0.00 -1.89 1.44 5.85 -0.81 0.03 115.31 119.83 3eyh h LEU 929 Ca -0.01 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3eyh h LEU 929 Cb 0.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3eyh h LEU 929 CO 0.01 0.63 0.15 0.03 -0.34 0.00 0.00 178.44 178.92 3eyh h ARG 930 N 0.00 0.14 -0.24 1.25 3.08 -1.04 -2.60 114.38 114.96 3eyh h ARG 930 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3eyh h ARG 930 Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3eyh h ARG 930 CO 0.08 0.09 0.00 -1.71 -1.07 0.00 0.00 179.97 177.36 3eyh n ASN 931 N -4.49 1.83 -4.16 7.04 5.15 -0.02 -4.84 115.26 115.76 3eyh n ASN 931 Ca 0.02 -1.80 -0.29 0.00 -0.60 0.00 0.00 54.58 51.91 3eyh n ASN 931 Cb 0.20 -0.15 -0.17 0.00 -0.53 0.00 0.00 39.78 39.13 3eyh n ASN 931 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3eyh s LEU 932 N -1.40 1.94 -0.27 1.20 1.43 -0.98 -5.08 118.68 115.51 3eyh s LEU 932 Ca 0.30 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3eyh s LEU 932 Cb 0.16 -1.15 0.13 0.00 0.03 0.00 0.00 46.19 45.36 3eyh s LEU 932 CO 0.24 0.14 0.27 -0.47 0.23 0.00 0.00 176.35 176.76 3eyh s TYR 933 N 0.25 -0.37 -0.08 0.29 5.04 -1.26 -4.72 117.35 116.50 3eyh s TYR 933 Ca -0.11 -0.14 -0.15 0.00 -2.44 0.00 0.00 57.07 54.23 3eyh s TYR 933 Cb -0.15 -0.47 0.03 0.00 0.35 0.00 0.00 41.96 41.72 3eyh s TYR 933 CO 0.05 -0.85 0.37 -1.58 -1.34 0.00 0.00 175.55 172.19 3eyh s HIS 934 N 2.34 -0.33 0.57 4.97 2.46 -1.26 -5.04 115.29 119.00 3eyh s HIS 934 Ca 0.09 0.70 0.29 0.00 0.47 0.00 0.00 55.06 56.60 3eyh s HIS 934 Cb -0.14 0.14 1.48 0.00 -0.13 0.00 0.00 32.58 33.93 3eyh s HIS 934 CO -0.29 -0.31 1.93 1.49 -2.47 0.00 0.00 174.74 175.09 3eyh h GLU 935 N 4.67 0.00 -0.20 2.88 4.81 -1.99 -1.56 114.58 123.19 3eyh h GLU 935 Ca -0.28 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 3eyh h GLU 935 Cb 1.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 3eyh h GLU 935 CO 0.33 0.00 -0.22 0.09 -0.73 0.00 0.00 179.01 178.49 3eyh n ASN 936 N -3.90 2.28 -4.04 1.04 3.02 -1.26 -4.84 115.26 107.55 3eyh n ASN 936 Ca 0.09 -3.73 -0.24 0.00 -0.03 0.00 0.00 54.58 50.67 3eyh n ASN 936 Cb 0.67 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 39.09 3eyh n ASN 936 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3eyh s ILE 937 N -3.20 1.12 0.22 2.41 1.01 -0.59 -1.00 121.20 121.18 3eyh s ILE 937 Ca 0.41 -0.51 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 3eyh s ILE 937 Cb 0.38 -1.00 -0.14 0.00 0.01 0.00 0.00 42.46 41.72 3eyh s ILE 937 CO -0.02 0.34 1.39 0.55 0.00 0.00 0.00 174.94 177.20 3eyh n VAL 938 N 3.52 0.84 -2.66 2.92 3.14 0.35 -4.56 118.33 121.88 3eyh n VAL 938 Ca -0.21 -0.21 -0.43 0.00 -2.96 0.00 0.00 64.34 60.54 3eyh n VAL 938 Cb 0.53 -1.38 -0.02 0.00 -1.06 0.00 0.00 33.84 31.90 3eyh n VAL 938 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3eyh s LYS 939 N -0.27 4.35 0.15 1.45 2.20 -1.26 -4.95 119.74 121.41 3eyh s LYS 939 Ca 0.70 1.40 -0.31 0.00 -0.36 0.00 0.00 55.97 57.40 3eyh s LYS 939 Cb -0.69 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 31.96 3eyh s LYS 939 CO 0.49 -0.46 1.39 -0.47 -0.36 0.00 0.00 175.35 175.94 3eyh s TYR 940 N 2.54 3.21 -0.11 4.03 5.04 -1.26 -1.66 117.35 129.15 3eyh s TYR 940 Ca 0.47 0.99 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 3eyh s TYR 940 Cb -0.17 -3.70 -0.10 0.00 0.35 0.00 0.00 41.96 38.34 3eyh s TYR 940 CO 0.13 -2.39 -0.04 1.63 -1.34 0.00 0.00 175.55 173.54 3eyh n LYS 941 N 3.52 1.30 -3.62 4.97 5.02 0.04 -4.90 118.16 124.49 3eyh n LYS 941 Ca 0.10 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3eyh n LYS 941 Cb 0.42 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 3eyh n LYS 941 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3eyh n GLY 942 N 2.68 -0.50 3.17 0.72 0.00 -1.05 -5.01 105.19 105.20 3eyh n GLY 942 Ca -0.19 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3eyh n GLY 942 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3eyh s ILE 943 N -3.06 0.80 -0.16 -0.61 -4.36 -1.26 -1.03 121.20 111.53 3eyh s ILE 943 Ca 0.00 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3eyh s ILE 943 Cb 0.00 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.21 3eyh s ILE 943 CO 0.00 -0.74 -0.13 0.00 0.24 0.00 0.00 174.94 174.31 3eyh s THR 945 N 1.47 5.42 -0.09 0.00 -4.23 -1.26 -0.48 115.64 116.47 3eyh s THR 945 Ca 0.03 0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 3eyh s THR 945 Cb -0.14 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3eyh s THR 945 CO -0.10 0.58 0.14 -1.61 -0.54 0.00 0.00 174.62 173.09 3eyh s GLU 946 N -1.13 3.40 0.37 3.99 2.02 -0.62 -4.84 118.70 121.90 3eyh s GLU 946 Ca 0.18 -0.19 -0.26 0.00 0.02 0.00 0.00 54.97 54.71 3eyh s GLU 946 Cb -0.13 -3.14 -0.09 0.00 0.10 0.00 0.00 34.13 30.88 3eyh s GLU 946 CO 0.07 0.75 1.14 0.34 0.02 0.00 0.00 175.26 177.58 3eyh s ASP 947 N -1.20 6.72 -1.40 -0.19 -1.08 -1.26 -3.96 116.67 114.29 3eyh s ASP 947 Ca 0.17 2.29 -0.04 0.00 -0.52 0.00 0.00 52.55 54.45 3eyh s ASP 947 Cb -0.12 -2.61 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 3eyh s ASP 947 CO 0.07 -0.53 0.72 0.61 0.52 0.00 0.00 175.17 176.55 3eyh n GLY 948 N 0.69 -0.34 0.00 2.66 0.00 -1.26 -4.90 105.19 102.04 3eyh n GLY 948 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3eyh n GLY 948 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eyh n GLY 949 N -1.68 0.57 0.56 -0.02 0.00 -1.25 -5.00 105.19 98.37 3eyh n GLY 949 Ca -0.20 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.09 3eyh n GLY 949 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3eyh n ASN 950 N 0.00 1.56 -4.77 1.61 3.02 -1.26 -4.72 115.26 110.70 3eyh n ASN 950 Ca 0.00 -2.08 -0.38 0.00 -0.03 0.00 0.00 54.58 52.08 3eyh n ASN 950 Cb 0.00 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 3eyh n ASN 950 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3eyh s GLY 951 N -0.77 2.89 0.03 7.41 0.00 -1.26 -4.96 107.32 110.66 3eyh s GLY 951 Ca 0.15 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.66 3eyh s GLY 951 CO 0.08 1.42 0.23 -1.50 0.00 0.00 0.00 173.10 173.33 3eyh s ILE 952 N -1.40 0.09 0.11 0.90 2.07 -1.26 -1.58 121.20 120.13 3eyh s ILE 952 Ca 0.54 -0.77 0.08 0.00 -1.41 0.00 0.00 60.65 59.09 3eyh s ILE 952 Cb -0.29 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 3eyh s ILE 952 CO 0.37 -0.43 -0.21 -0.54 -1.91 0.00 0.00 174.94 172.23 3eyh s LYS 953 N -2.32 1.14 -0.21 3.50 1.02 0.37 -4.51 119.74 118.74 3eyh s LYS 953 Ca -0.07 -1.18 -0.07 0.00 0.02 0.00 0.00 55.97 54.67 3eyh s LYS 953 Cb -0.02 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.85 3eyh s LYS 953 CO -0.02 0.32 0.05 -1.17 -0.92 0.00 0.00 175.35 173.62 3eyh s LEU 954 N -1.96 3.55 -0.16 3.17 2.96 -0.36 -1.78 118.68 124.10 3eyh s LEU 954 Ca 0.07 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3eyh s LEU 954 Cb -0.10 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3eyh s LEU 954 CO 0.04 0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.53 3eyh s ILE 955 N 1.02 4.43 0.21 6.68 -1.09 -0.19 -0.46 121.20 131.80 3eyh s ILE 955 Ca 0.04 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3eyh s ILE 955 Cb -0.14 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 3eyh s ILE 955 CO 0.03 0.49 0.03 -0.04 -1.23 0.00 0.00 174.94 174.22 3eyh s MET 956 N 0.19 1.24 0.69 2.79 -1.94 -0.05 -0.78 119.30 121.45 3eyh s MET 956 Ca 0.02 -1.63 -0.16 0.00 -1.71 0.00 0.00 55.69 52.21 3eyh s MET 956 Cb -0.13 -0.31 0.02 0.00 2.01 0.00 0.00 34.83 36.42 3eyh s MET 956 CO 0.01 -0.18 1.22 -1.83 -0.01 0.00 0.00 175.02 174.24 3eyh s GLU 957 N -3.95 2.34 -0.14 2.03 -1.05 -0.66 -1.01 118.70 116.26 3eyh s GLU 957 Ca 0.29 1.83 -0.19 0.00 -0.15 0.00 0.00 54.97 56.75 3eyh s GLU 957 Cb 0.07 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.87 3eyh s GLU 957 CO 0.08 -1.69 0.53 0.12 0.95 0.00 0.00 175.26 175.24 3eyh s PHE 958 N -1.81 3.47 -0.46 4.83 5.36 -1.26 -4.14 117.98 123.97 3eyh s PHE 958 Ca 0.76 0.91 0.04 0.00 -0.96 0.00 0.00 56.93 57.68 3eyh s PHE 958 Cb -0.31 -2.64 0.12 0.00 -0.34 0.00 0.00 43.02 39.85 3eyh s PHE 958 CO 0.42 0.05 0.19 -0.51 -1.46 0.00 0.00 175.22 173.92 3eyh s LEU 959 N 1.05 4.38 0.56 6.12 1.43 -1.26 -4.99 118.68 125.96 3eyh s LEU 959 Ca 0.27 -2.73 0.25 0.00 -1.03 0.00 0.00 54.13 50.89 3eyh s LEU 959 Cb -0.16 -1.61 1.51 0.00 0.03 0.00 0.00 46.19 45.96 3eyh s LEU 959 CO 0.11 -0.28 2.10 -0.65 0.23 0.00 0.00 176.35 177.86 3eyh h PRO 960 N 6.86 0.00 -0.00 1.29 0.11 -1.82 -1.99 132.00 136.45 3eyh h PRO 960 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3eyh h PRO 960 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3eyh h PRO 960 CO 0.63 0.00 -0.16 0.43 -0.21 0.00 0.00 178.00 178.69 3eyh n SER 961 N -4.14 0.65 0.00 -2.05 7.64 -1.17 -5.03 113.62 109.52 3eyh n SER 961 Ca 0.02 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.24 3eyh n SER 961 Cb 0.31 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3eyh n SER 961 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3eyh n GLY 962 N 1.30 -0.27 3.88 0.23 0.00 -0.75 -4.45 105.19 105.14 3eyh n GLY 962 Ca 0.13 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 3eyh n GLY 962 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3eyh s SER 963 N -4.00 6.29 0.43 1.61 1.04 -1.26 0.51 113.70 118.32 3eyh s SER 963 Ca 0.00 1.19 0.20 0.00 0.48 0.00 0.00 55.95 57.82 3eyh s SER 963 Cb 0.00 -2.36 1.14 0.00 0.10 0.00 0.00 66.02 64.90 3eyh s SER 963 CO 0.00 -0.68 1.84 -0.07 0.98 0.00 0.00 173.24 175.31 3eyh h LEU 964 N 0.13 0.36 -1.31 2.42 3.38 -0.91 0.23 115.31 119.62 3eyh h LEU 964 Ca -0.46 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3eyh h LEU 964 Cb 1.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3eyh h LEU 964 CO 0.62 0.13 0.27 0.50 0.09 0.00 0.00 178.44 180.05 3eyh h LYS 965 N 0.35 0.75 0.06 1.13 1.63 -1.83 -0.16 116.57 118.50 3eyh h LYS 965 Ca 0.49 -0.08 -0.34 0.00 -0.85 0.00 0.00 60.65 59.86 3eyh h LYS 965 Cb 1.31 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.76 3eyh h LYS 965 CO -0.17 0.57 -1.97 0.39 -3.45 0.00 0.00 179.45 174.82 3eyh n GLU 966 N -4.38 0.70 -0.02 1.90 4.71 -0.82 -4.52 120.64 118.21 3eyh n GLU 966 Ca 0.05 0.25 -0.13 0.00 -0.01 0.00 0.00 57.16 57.31 3eyh n GLU 966 Cb 0.11 -1.71 -0.09 0.00 -1.01 0.00 0.00 31.44 28.74 3eyh n GLU 966 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 3eyh h TYR 967 N 0.03 0.07 -0.49 -0.32 3.20 -0.72 -3.33 116.97 115.41 3eyh h TYR 967 Ca -0.40 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 3eyh h TYR 967 Cb 2.03 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 40.26 3eyh h TYR 967 CO 0.04 0.50 0.29 -0.07 -1.64 0.00 0.00 178.16 177.28 3eyh h LEU 968 N -0.39 0.60 -2.47 2.82 3.38 -1.26 -2.33 115.31 115.65 3eyh h LEU 968 Ca 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3eyh h LEU 968 Cb 0.49 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3eyh h LEU 968 CO 0.01 0.49 0.04 -0.65 0.09 0.00 0.00 178.44 178.41 3eyh h PRO 969 N 0.66 0.00 -0.00 1.13 0.11 -1.67 -1.08 132.00 131.14 3eyh h PRO 969 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3eyh h PRO 969 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3eyh h PRO 969 CO -0.03 0.00 -0.22 1.63 -0.21 0.00 0.00 178.00 179.17 3eyh n LYS 970 N -3.76 0.62 -1.07 1.05 5.02 -0.89 -4.34 118.16 114.77 3eyh n LYS 970 Ca -0.02 -0.30 0.04 0.00 -2.02 0.00 0.00 58.31 56.01 3eyh n LYS 970 Cb 0.12 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3eyh n LYS 970 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3eyh n ASN 971 N -0.93 1.00 -0.35 4.39 4.13 -0.43 -4.85 115.26 118.22 3eyh n ASN 971 Ca 0.12 -2.39 0.06 0.00 1.68 0.00 0.00 54.58 54.05 3eyh n ASN 971 Cb 0.32 -0.33 0.23 0.00 -1.54 0.00 0.00 39.78 38.47 3eyh n ASN 971 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3eyh h LYS 972 N 0.75 1.00 0.00 3.52 1.57 -1.70 -0.05 116.57 121.66 3eyh h LYS 972 Ca -0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3eyh h LYS 972 Cb 1.60 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3eyh h LYS 972 CO 0.06 0.66 -0.08 0.09 -0.57 0.00 0.00 179.45 179.61 3eyh n ASN 973 N -4.56 0.12 -0.09 0.86 5.03 -1.26 -3.87 115.26 111.47 3eyh n ASN 973 Ca 0.17 0.39 -0.11 0.00 0.87 0.00 0.00 54.58 55.90 3eyh n ASN 973 Cb 0.30 -0.40 -0.12 0.00 -1.02 0.00 0.00 39.78 38.54 3eyh n ASN 973 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3eyh n LYS 974 N -1.54 0.92 -3.52 3.52 4.81 -0.42 -4.91 118.16 117.02 3eyh n LYS 974 Ca 0.07 0.05 -0.41 0.00 -0.87 0.00 0.00 58.31 57.15 3eyh n LYS 974 Cb 0.34 -1.43 -0.10 0.00 0.02 0.00 0.00 35.03 33.85 3eyh n LYS 974 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3eyh s ILE 975 N -2.42 5.18 0.61 3.15 -1.09 -0.17 -5.07 121.20 121.39 3eyh s ILE 975 Ca -0.18 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 57.89 3eyh s ILE 975 Cb 0.06 -3.74 0.09 0.00 -1.58 0.00 0.00 42.46 37.29 3eyh s ILE 975 CO 0.61 -0.11 0.84 0.54 -1.23 0.00 0.00 174.94 175.59 3eyh s ASN 976 N 1.69 4.91 0.20 3.58 2.20 -1.26 -4.84 114.94 121.42 3eyh s ASN 976 Ca 0.05 -0.65 -0.11 0.00 -0.94 0.00 0.00 52.86 51.21 3eyh s ASN 976 Cb -0.18 0.11 0.23 0.00 -2.00 0.00 0.00 41.25 39.41 3eyh s ASN 976 CO 0.10 -1.46 1.73 0.25 -2.94 0.00 0.00 177.10 174.78 3eyh h LEU 977 N -0.01 0.12 -0.90 3.54 5.85 -1.98 -0.55 115.31 121.39 3eyh h LEU 977 Ca -0.33 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.56 3eyh h LEU 977 Cb 1.28 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 3eyh h LEU 977 CO 0.41 0.08 0.55 0.11 -0.34 0.00 0.00 178.44 179.25 3eyh h LYS 978 N 0.32 0.91 -0.24 1.25 6.56 -1.98 0.32 116.57 123.71 3eyh h LYS 978 Ca 0.28 -0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.68 3eyh h LYS 978 Cb 0.35 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 3eyh h LYS 978 CO -0.31 0.60 -0.38 0.37 -2.06 0.00 0.00 179.45 177.67 3eyh h GLN 979 N 0.93 0.56 -0.78 3.15 5.75 -1.67 -2.04 115.11 121.01 3eyh h GLN 979 Ca 0.42 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3eyh h GLN 979 Cb 0.31 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 3eyh h GLN 979 CO -0.22 0.85 0.41 1.96 -2.65 0.00 0.00 178.83 179.18 3eyh h GLN 980 N 0.46 1.10 -0.28 1.69 4.20 -0.26 -1.65 115.11 120.38 3eyh h GLN 980 Ca 0.04 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3eyh h GLN 980 Cb 0.87 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3eyh h GLN 980 CO 0.07 0.83 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.76 3eyh h LEU 981 N 1.09 0.54 -0.87 1.46 3.38 -0.78 -1.15 115.31 118.98 3eyh h LEU 981 Ca 0.27 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3eyh h LEU 981 Cb 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3eyh h LEU 981 CO -0.04 0.77 0.11 0.11 0.09 0.00 0.00 178.44 179.49 3eyh h LYS 982 N 0.48 0.95 -0.64 1.13 1.57 -0.99 -1.59 116.57 117.48 3eyh h LYS 982 Ca 0.07 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3eyh h LYS 982 Cb 0.66 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3eyh h LYS 982 CO 0.05 0.87 0.20 1.88 -0.57 0.00 0.00 179.45 181.87 3eyh h TYR 983 N 0.90 1.04 -0.57 -1.35 0.05 -0.96 -1.27 116.97 114.81 3eyh h TYR 983 Ca 0.19 -0.11 0.06 0.00 0.05 0.00 0.00 58.73 58.92 3eyh h TYR 983 Cb 0.37 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 3eyh h TYR 983 CO 0.02 0.85 0.28 0.00 -1.05 0.00 0.00 178.16 178.26 3eyh h ALA 984 N 1.07 0.74 -0.26 3.88 0.00 -0.71 0.35 119.26 124.32 3eyh h ALA 984 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3eyh h ALA 984 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3eyh h ALA 984 CO -0.01 -0.08 0.15 0.28 0.00 0.00 0.00 179.25 179.59 3eyh h VAL 985 N 0.53 1.12 -0.63 0.00 2.07 -1.07 -0.23 116.25 118.03 3eyh h VAL 985 Ca 0.26 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3eyh h VAL 985 Cb 0.20 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3eyh h VAL 985 CO -0.19 0.12 0.39 1.56 0.02 0.00 0.00 177.57 179.46 3eyh h GLN 986 N 0.32 0.86 -0.38 1.57 4.20 -0.80 0.13 115.11 120.99 3eyh h GLN 986 Ca 0.09 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3eyh h GLN 986 Cb 0.06 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3eyh h GLN 986 CO -0.02 0.61 0.25 0.82 -0.67 0.00 0.00 178.83 179.82 3eyh h ILE 987 N 0.86 1.11 -0.63 2.54 2.04 -0.79 -1.14 117.51 121.50 3eyh h ILE 987 Ca 0.23 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3eyh h ILE 987 Cb -0.03 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3eyh h ILE 987 CO -0.04 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.42 3eyh h LYS 989 N 0.92 0.59 -0.91 0.00 1.57 -0.59 0.94 116.57 119.09 3eyh h LYS 989 Ca 0.21 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3eyh h LYS 989 Cb 0.25 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3eyh h LYS 989 CO -0.01 0.63 0.58 0.78 -0.57 0.00 0.00 179.45 180.86 3eyh h GLY 990 N 0.45 1.37 1.18 3.86 0.00 -0.89 -2.01 103.07 107.03 3eyh h GLY 990 Ca 0.12 -0.42 -0.26 0.00 0.00 0.00 0.00 47.33 46.77 3eyh h GLY 990 CO 0.00 0.30 -1.01 -0.33 0.00 0.00 0.00 176.54 175.50 3eyh h MET 991 N 1.05 0.69 -0.56 4.80 2.86 -0.96 0.33 114.93 123.14 3eyh h MET 991 Ca 0.39 -0.74 0.02 0.00 -2.06 0.00 0.00 59.70 57.31 3eyh h MET 991 Cb 0.16 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3eyh h MET 991 CO -0.17 1.31 0.35 0.22 1.06 0.00 0.00 176.91 179.68 3eyh h ASP 992 N 0.37 0.58 -0.04 1.22 3.58 -0.74 0.11 116.42 121.51 3eyh h ASP 992 Ca -0.12 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.34 3eyh h ASP 992 Cb 1.66 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 3eyh h ASP 992 CO 0.20 0.41 -0.07 0.22 -2.88 0.00 0.00 179.24 177.12 3eyh h TYR 993 N 0.70 -0.18 -0.52 0.28 3.20 -1.29 -1.35 116.97 117.82 3eyh h TYR 993 Ca 0.22 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.19 3eyh h TYR 993 Cb -0.02 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.26 3eyh h TYR 993 CO -0.05 -0.11 0.10 1.25 -1.64 0.00 0.00 178.16 177.70 3eyh h LEU 994 N -0.11 -0.02 -0.86 2.82 5.85 -0.37 -1.90 115.31 120.73 3eyh h LEU 994 Ca 0.04 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3eyh h LEU 994 Cb 0.16 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3eyh h LEU 994 CO -0.10 0.02 0.44 1.23 -0.34 0.00 0.00 178.44 179.68 3eyh h GLY 995 N 0.23 1.31 1.86 3.75 0.00 -0.64 -2.39 103.07 107.19 3eyh h GLY 995 Ca 0.26 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3eyh h GLY 995 CO -0.35 0.60 0.07 1.48 0.00 0.00 0.00 176.54 178.34 3eyh h SER 996 N 1.21 0.06 -0.03 0.19 4.64 -0.46 0.45 113.55 119.61 3eyh h SER 996 Ca 0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3eyh h SER 996 Cb 0.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3eyh h SER 996 CO -0.04 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3eyh n ARG 997 N -4.52 1.17 -2.51 4.77 5.12 -0.93 -4.92 116.66 114.84 3eyh n ARG 997 Ca -0.01 -0.25 -0.10 0.00 -1.93 0.00 0.00 57.85 55.55 3eyh n ARG 997 Cb 0.13 -1.36 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 3eyh n ARG 997 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3eyh n GLN 998 N -0.58 -1.91 -4.27 5.56 6.02 0.16 -4.96 117.38 117.39 3eyh n GLN 998 Ca 0.17 0.43 -0.31 0.00 -0.01 0.00 0.00 57.00 57.28 3eyh n GLN 998 Cb 0.14 -4.32 -0.09 0.00 1.02 0.00 0.00 30.24 26.98 3eyh n GLN 998 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3eyh s TYR 999 N -2.74 2.95 -0.12 1.08 1.51 -1.03 -0.36 117.35 118.64 3eyh s TYR 999 Ca 0.11 -0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 56.14 3eyh s TYR 999 Cb -0.05 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 3eyh s TYR 999 CO 0.13 0.44 -0.11 0.14 -1.11 0.00 0.00 175.55 175.05 3eyh s VAL 1000N -1.16 3.30 0.04 0.71 -7.23 0.43 -3.92 120.40 112.57 3eyh s VAL 1000Ca 0.21 -0.59 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 3eyh s VAL 1000Cb -0.11 -2.39 -0.21 0.00 0.56 0.00 0.00 36.38 34.23 3eyh s VAL 1000CO 0.13 0.53 1.18 -0.74 -0.31 0.00 0.00 175.10 175.89 3eyh h HIS 1001N 6.40 0.75 0.00 2.82 2.76 -1.90 -0.71 115.15 125.27 3eyh h HIS 1001Ca -0.31 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.48 3eyh h HIS 1001Cb 1.20 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.06 3eyh h HIS 1001CO 0.51 1.18 0.00 0.54 -1.30 0.00 0.00 177.93 178.87 3eyh n ARG 1002N -4.14 -0.67 -1.93 5.26 1.74 -1.26 -3.18 116.66 112.47 3eyh n ARG 1002Ca -0.09 0.17 -0.03 0.00 -0.77 0.00 0.00 57.85 57.13 3eyh n ARG 1002Cb 0.69 -3.96 0.03 0.00 -1.02 0.00 0.00 32.46 28.20 3eyh n ARG 1002CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3eyh n ASP 1003N -0.34 -0.53 -4.58 0.55 2.03 -1.26 -4.67 116.55 107.75 3eyh n ASP 1003Ca 0.00 -2.08 -0.43 0.00 0.52 0.00 0.00 54.79 52.80 3eyh n ASP 1003Cb 0.17 0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 3eyh n ASP 1003CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3eyh s LEU 1004N -2.03 3.68 0.13 -2.67 2.96 -1.26 -4.78 118.68 114.71 3eyh s LEU 1004Ca 0.12 0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.05 3eyh s LEU 1004Cb 0.26 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.72 3eyh s LEU 1004CO -0.08 -1.30 0.37 0.00 -1.32 0.00 0.00 176.35 174.02 3eyh s ALA 1005N 4.47 -0.75 0.56 5.97 0.00 -1.26 -4.55 121.76 126.19 3eyh s ALA 1005Ca 0.42 -0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.40 3eyh s ALA 1005Cb -0.08 0.69 1.55 0.00 0.00 0.00 0.00 23.12 25.27 3eyh s ALA 1005CO 0.27 -0.64 2.19 0.00 0.00 0.00 0.00 175.76 177.58 3eyh h ALA 1006N 2.42 1.79 0.00 0.00 0.00 -1.92 0.15 119.26 121.70 3eyh h ALA 1006Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3eyh h ALA 1006Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3eyh h ALA 1006CO 0.47 -0.03 0.00 0.07 0.00 0.00 0.00 179.25 179.76 3eyh h ARG 1007N 0.00 0.00 -0.19 0.00 0.11 -1.94 -2.23 114.38 110.12 3eyh h ARG 1007Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3eyh h ARG 1007Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 3eyh h ARG 1007CO -0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3eyh n ASN 1008N -2.56 2.65 -4.47 0.08 3.02 0.04 -4.80 115.26 109.22 3eyh n ASN 1008Ca -0.01 -1.77 -0.38 0.00 -0.03 0.00 0.00 54.58 52.39 3eyh n ASN 1008Cb 0.13 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 3eyh n ASN 1008CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3eyh s VAL 1009N -1.17 4.75 0.06 2.41 1.01 -0.84 -0.26 120.40 126.35 3eyh s VAL 1009Ca 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3eyh s VAL 1009Cb 0.14 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3eyh s VAL 1009CO 0.20 0.12 0.25 -0.76 0.00 0.00 0.00 175.10 174.91 3eyh s LEU 1010N 1.65 4.34 -0.32 3.92 1.43 0.10 -0.72 118.68 129.08 3eyh s LEU 1010Ca 0.05 0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 3eyh s LEU 1010Cb -0.17 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.10 3eyh s LEU 1010CO 0.07 0.17 0.14 -0.69 0.23 0.00 0.00 176.35 176.27 3eyh s VAL 1011N -1.49 4.43 0.01 -1.59 1.01 0.18 -0.60 120.40 122.35 3eyh s VAL 1011Ca 0.34 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3eyh s VAL 1011Cb -0.13 -3.31 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 3eyh s VAL 1011CO 0.25 0.01 1.14 -0.08 0.00 0.00 0.00 175.10 176.42 3eyh h GLU 1012N 8.34 0.39 -3.12 2.72 4.81 -1.19 -3.11 114.58 123.42 3eyh h GLU 1012Ca -0.31 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 58.51 3eyh h GLU 1012Cb 1.13 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3eyh h GLU 1012CO 0.62 1.02 0.23 -1.54 -0.73 0.00 0.00 179.01 178.61 3eyh s SER 1013N -6.58 0.12 0.51 1.04 1.04 -0.99 -4.60 113.70 104.24 3eyh s SER 1013Ca -0.14 -1.22 0.34 0.00 0.48 0.00 0.00 55.95 55.41 3eyh s SER 1013Cb 0.04 0.84 1.47 0.00 0.10 0.00 0.00 66.02 68.47 3eyh s SER 1013CO 0.80 -1.68 1.78 -0.08 0.98 0.00 0.00 173.24 175.04 3eyh h GLU 1014N 2.01 0.08 -0.02 4.02 4.81 -2.03 -2.07 114.58 121.39 3eyh h GLU 1014Ca -0.33 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3eyh h GLU 1014Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3eyh h GLU 1014CO 0.41 0.05 -0.19 0.72 -0.73 0.00 0.00 179.01 179.28 3eyh n HIS 1015N -4.28 0.00 -3.71 0.92 8.25 -1.26 -4.96 115.22 110.18 3eyh n HIS 1015Ca 0.27 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.60 3eyh n HIS 1015Cb 1.23 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.20 3eyh n HIS 1015CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3eyh s GLN 1016N -1.70 0.16 0.24 -0.41 2.00 -0.78 -4.97 119.66 114.20 3eyh s GLN 1016Ca 0.16 0.57 0.11 0.00 -2.00 0.00 0.00 55.36 54.21 3eyh s GLN 1016Cb 0.14 -0.12 -0.05 0.00 0.80 0.00 0.00 33.01 33.78 3eyh s GLN 1016CO 0.32 -0.21 -0.19 0.14 -0.50 0.00 0.00 175.29 174.86 3eyh s VAL 1017N 1.63 2.60 0.01 1.34 -7.23 -1.26 -0.64 120.40 116.85 3eyh s VAL 1017Ca -0.06 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 3eyh s VAL 1017Cb -0.11 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 3eyh s VAL 1017CO -0.08 -0.27 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.88 3eyh s LYS 1018N -3.16 0.21 0.05 4.82 1.02 0.23 -4.64 119.74 118.27 3eyh s LYS 1018Ca 0.26 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 3eyh s LYS 1018Cb -0.07 -0.05 -0.08 0.00 -0.52 0.00 0.00 37.83 37.12 3eyh s LYS 1018CO 0.14 0.00 1.61 0.42 -0.92 0.00 0.00 175.35 176.60 3eyh s ILE 1019N -0.61 3.20 0.00 2.17 1.01 -0.17 0.02 121.20 126.83 3eyh s ILE 1019Ca -0.06 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.21 3eyh s ILE 1019Cb -0.04 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3eyh s ILE 1019CO -0.00 -0.01 0.68 0.61 0.00 0.00 0.00 174.94 176.23 3eyh n GLY 1020N 3.94 0.59 3.29 6.18 0.00 0.63 -0.49 105.19 119.33 3eyh n GLY 1020Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3eyh n GLY 1020CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3eyh s ASP 1021N -0.45 -0.30 -0.03 1.61 2.15 -1.24 -4.92 116.67 113.48 3eyh s ASP 1021Ca 0.00 0.34 0.24 0.00 0.43 0.00 0.00 52.55 53.56 3eyh s ASP 1021Cb 0.00 0.46 0.43 0.00 -0.30 0.00 0.00 42.92 43.51 3eyh s ASP 1021CO 0.00 -0.39 1.17 0.49 -0.17 0.00 0.00 175.17 176.27 3eyh n PHE 1022N 1.61 0.03 0.24 -5.34 3.72 -1.26 -4.95 117.46 111.50 3eyh n PHE 1022Ca -0.19 -0.64 0.08 0.00 -0.05 0.00 0.00 57.45 56.65 3eyh n PHE 1022Cb 0.56 -0.16 0.60 0.00 -0.94 0.00 0.00 39.48 39.54 3eyh n PHE 1022CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3eyh h GLY 1023N 1.03 0.00 -1.05 1.37 0.00 -1.96 -2.75 103.07 99.72 3eyh h GLY 1023Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3eyh h GLY 1023CO 0.09 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.67 3eyh n LEU 1024N -4.09 2.82 -4.76 3.11 4.77 -1.26 -4.93 117.00 112.66 3eyh n LEU 1024Ca -0.02 -2.10 -0.41 0.00 -0.03 0.00 0.00 56.01 53.45 3eyh n LEU 1024Cb 0.23 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3eyh n LEU 1024CO 0.34 0.68 0.91 -0.89 -1.33 0.00 0.00 177.39 177.10 3eyh s THR 1025N -1.17 3.14 0.11 -5.08 2.01 -1.04 -4.58 115.64 109.03 3eyh s THR 1025Ca 0.21 1.09 0.05 0.00 0.31 0.00 0.00 61.69 63.35 3eyh s THR 1025Cb 0.12 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3eyh s THR 1025CO 0.12 0.24 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.63 3eyh s LYS 1026N -1.26 0.94 -0.12 4.92 -0.14 -0.27 -4.98 119.74 118.82 3eyh s LYS 1026Ca 0.49 -1.20 -0.18 0.00 -1.36 0.00 0.00 55.97 53.72 3eyh s LYS 1026Cb -0.36 -0.74 -0.04 0.00 -1.68 0.00 0.00 37.83 35.01 3eyh s LYS 1026CO 0.45 0.13 0.45 0.00 -0.76 0.00 0.00 175.35 175.63 3eyh s ALA 1027N -2.26 3.49 -0.00 5.17 0.00 -1.26 -0.42 121.76 126.47 3eyh s ALA 1027Ca 0.07 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 3eyh s ALA 1027Cb -0.04 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 3eyh s ALA 1027CO 0.02 0.02 0.84 0.42 0.00 0.00 0.00 175.76 177.06 3eyh s ILE 1028N 0.56 4.86 0.48 0.00 1.01 0.51 -4.95 121.20 123.67 3eyh s ILE 1028Ca 0.25 1.76 -0.24 0.00 0.00 0.00 0.00 60.65 62.42 3eyh s ILE 1028Cb -0.15 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 3eyh s ILE 1028CO 0.10 0.25 1.34 -1.83 0.00 0.00 0.00 174.94 174.80 3eyh s GLU 1029N 0.60 3.51 0.21 2.79 4.04 -1.26 -4.87 118.70 123.72 3eyh s GLU 1029Ca 0.44 2.21 -0.32 0.00 0.04 0.00 0.00 54.97 57.33 3eyh s GLU 1029Cb -0.20 -2.47 -0.13 0.00 0.02 0.00 0.00 34.13 31.35 3eyh s GLU 1029CO 0.24 -0.89 1.50 2.41 -1.84 0.00 0.00 175.26 176.68 3eyh n THR 1030N -0.53 0.55 -0.75 1.83 -1.04 -1.26 -0.84 114.28 112.25 3eyh n THR 1030Ca 0.07 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3eyh n THR 1030Cb 0.44 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3eyh n THR 1030CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3eyh n ASP 1031N 2.71 0.00 -4.95 8.00 8.00 -1.26 -5.03 116.55 124.02 3eyh n ASP 1031Ca 0.14 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.38 3eyh n ASP 1031Cb 0.31 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3eyh n ASP 1031CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3eyh s LYS 1032N -0.08 3.45 0.00 -1.24 -0.14 -0.02 -5.27 119.74 116.45 3eyh s LYS 1032Ca 0.00 -0.58 0.16 0.00 -1.36 0.00 0.00 55.97 54.18 3eyh s LYS 1032Cb 0.00 -2.92 -0.16 0.00 -1.68 0.00 0.00 37.83 33.07 3eyh s LYS 1032CO 0.00 0.47 0.68 0.39 -0.76 0.00 0.00 175.35 176.13 3eyh n GLU 1033N -0.77 1.83 -3.66 1.68 1.02 -1.26 -4.74 120.64 114.73 3eyh n GLU 1033Ca -0.07 -0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 3eyh n GLU 1033Cb 0.55 -1.24 -0.12 0.00 -0.02 0.00 0.00 31.44 30.61 3eyh n GLU 1033CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3eyh s THR 1036N -2.44 -0.48 0.08 2.62 2.01 -1.26 -4.21 115.64 111.96 3eyh s THR 1036Ca 0.06 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 3eyh s THR 1036Cb 0.12 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 3eyh s THR 1036CO 0.63 0.10 0.94 -0.69 -0.69 0.00 0.00 174.62 174.90 3eyh s VAL 1037N 2.44 4.60 -0.11 3.82 1.01 0.01 -4.92 120.40 127.26 3eyh s VAL 1037Ca -0.00 2.01 0.16 0.00 0.00 0.00 0.00 61.98 64.14 3eyh s VAL 1037Cb -0.12 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 3eyh s VAL 1037CO -0.10 0.29 0.19 0.29 0.00 0.00 0.00 175.10 175.77 3eyh n LYS 1038N 3.01 1.02 -3.98 2.72 4.01 -1.26 -4.80 118.16 118.88 3eyh n LYS 1038Ca 0.02 -0.07 -0.31 0.00 -0.51 0.00 0.00 58.31 57.45 3eyh n LYS 1038Cb 0.50 -1.42 -0.15 0.00 -0.51 0.00 0.00 35.03 33.45 3eyh n LYS 1038CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3eyh s ASP 1039N -4.60 4.59 -0.26 4.39 2.15 -1.26 -4.96 116.67 116.73 3eyh s ASP 1039Ca -0.07 -2.35 0.13 0.00 0.43 0.00 0.00 52.55 50.69 3eyh s ASP 1039Cb 0.07 -1.58 0.75 0.00 -0.30 0.00 0.00 42.92 41.87 3eyh s ASP 1039CO 0.69 -0.34 1.71 0.47 -0.17 0.00 0.00 175.17 177.53 3eyh n ASP 1040N 3.99 5.13 0.28 -0.34 8.00 -1.26 -4.80 116.55 127.55 3eyh n ASP 1040Ca 0.04 -3.06 0.15 0.00 0.71 0.00 0.00 54.79 52.64 3eyh n ASP 1040Cb 0.39 -0.68 0.82 0.00 -0.02 0.00 0.00 41.12 41.63 3eyh n ASP 1040CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3eyh h ARG 1041N 3.21 0.00 -2.05 -1.24 3.08 -2.02 -2.45 114.38 112.90 3eyh h ARG 1041Ca 0.08 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.63 3eyh h ARG 1041Cb 2.00 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.65 3eyh h ARG 1041CO 0.52 0.07 -1.09 -3.47 -1.07 0.00 0.00 179.97 174.94 3eyh n ASP 1042N -3.48 1.49 -4.75 7.04 2.03 -1.26 -5.09 116.55 112.53 3eyh n ASP 1042Ca -0.02 -3.12 -0.41 0.00 0.52 0.00 0.00 54.79 51.76 3eyh n ASP 1042Cb 0.21 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 39.95 3eyh n ASP 1042CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3eyh s SER 1043N -2.57 7.37 -1.30 1.67 0.01 -0.93 -4.98 113.70 112.97 3eyh s SER 1043Ca 0.41 2.10 -0.18 0.00 1.31 0.00 0.00 55.95 59.59 3eyh s SER 1043Cb 0.33 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 64.01 3eyh s SER 1043CO -0.09 -0.09 1.76 -0.81 0.41 0.00 0.00 173.24 174.42 3eyh n PRO 1044N 1.77 3.09 0.14 12.44 -0.04 -1.26 -4.86 135.00 146.27 3eyh n PRO 1044Ca 0.00 -3.21 0.12 0.00 -0.04 0.00 0.00 63.50 60.37 3eyh n PRO 1044Cb 0.46 -3.51 0.65 0.00 -0.04 0.00 0.00 33.50 31.05 3eyh n PRO 1044CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3eyh h VAL 1045N 5.58 0.90 0.00 0.52 -1.51 -1.96 -0.09 116.25 119.70 3eyh h VAL 1045Ca 0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 3eyh h VAL 1045Cb 0.87 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3eyh h VAL 1045CO 1.45 0.01 0.00 0.49 -1.23 0.00 0.00 177.57 178.29 3eyh n PHE 1046N -4.48 0.00 0.30 5.19 3.01 -1.26 -2.19 117.46 118.03 3eyh n PHE 1046Ca 0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.55 3eyh n PHE 1046Cb 0.29 -0.40 0.10 0.00 -0.01 0.00 0.00 39.48 39.46 3eyh n PHE 1046CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3eyh n TRP 1047N -1.40 0.19 -3.90 1.38 8.01 -0.05 -4.85 117.44 116.82 3eyh n TRP 1047Ca 0.07 -0.17 -0.37 0.00 -1.31 0.00 0.00 57.50 55.72 3eyh n TRP 1047Cb 0.20 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.43 3eyh n TRP 1047CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3eyh s TYR 1048N -1.09 3.57 0.73 -5.99 1.51 -0.93 -3.72 117.35 111.42 3eyh s TYR 1048Ca 0.20 0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 56.64 3eyh s TYR 1048Cb 0.13 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.07 3eyh s TYR 1048CO 0.18 0.71 1.10 0.00 -1.11 0.00 0.00 175.55 176.43 3eyh s ALA 1049N -0.96 2.32 0.32 3.71 0.00 -1.26 -4.85 121.76 121.04 3eyh s ALA 1049Ca 0.15 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.56 3eyh s ALA 1049Cb -0.12 -3.30 0.64 0.00 0.00 0.00 0.00 23.12 20.34 3eyh s ALA 1049CO 0.04 -1.58 1.87 -1.35 0.00 0.00 0.00 175.76 174.73 3eyh h PRO 1050N -0.61 0.87 -0.22 0.00 0.11 -1.94 -1.72 132.00 128.48 3eyh h PRO 1050Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3eyh h PRO 1050Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3eyh h PRO 1050CO 0.52 0.57 -0.10 1.05 -0.21 0.00 0.00 178.00 179.84 3eyh h GLU 1051N 0.89 0.35 -0.30 1.05 9.09 -1.86 0.18 114.58 123.98 3eyh h GLU 1051Ca 0.45 -0.08 -0.11 0.00 0.05 0.00 0.00 59.36 59.66 3eyh h GLU 1051Cb 0.48 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 3eyh h GLU 1051CO -0.21 0.46 -0.26 0.00 0.05 0.00 0.00 179.01 179.05 3eyh h LEU 1053N 0.45 0.83 0.08 0.00 3.38 -0.86 -1.15 115.31 118.04 3eyh h LEU 1053Ca 0.05 -0.48 -0.28 0.00 0.09 0.00 0.00 57.88 57.26 3eyh h LEU 1053Cb 0.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3eyh h LEU 1053CO 0.07 1.14 -1.38 0.24 0.09 0.00 0.00 178.44 178.60 3eyh h MET 1054N 0.53 0.18 0.00 1.13 2.86 -0.71 -3.41 114.93 115.51 3eyh h MET 1054Ca 0.04 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3eyh h MET 1054Cb 0.92 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3eyh h MET 1054CO 0.08 1.05 0.00 1.04 1.06 0.00 0.00 176.91 180.14 3eyh n GLN 1055N -3.40 0.18 -2.13 1.72 6.02 -0.02 -5.02 117.38 114.72 3eyh n GLN 1055Ca -0.11 -0.19 -0.18 0.00 -0.01 0.00 0.00 57.00 56.50 3eyh n GLN 1055Cb 1.02 -0.65 -0.03 0.00 1.02 0.00 0.00 30.24 31.60 3eyh n GLN 1055CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3eyh n SER 1056N -0.08 -5.15 -4.73 1.08 7.64 -0.43 -4.87 113.62 107.08 3eyh n SER 1056Ca 0.00 0.18 -0.37 0.00 1.01 0.00 0.00 58.87 59.69 3eyh n SER 1056Cb 0.11 -4.40 -0.07 0.00 -1.01 0.00 0.00 64.21 58.84 3eyh n SER 1056CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3eyh s LYS 1057N -4.56 4.27 -0.21 1.43 1.02 -1.18 -0.81 119.74 119.71 3eyh s LYS 1057Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.16 3eyh s LYS 1057Cb 0.00 -3.43 0.05 0.00 -0.52 0.00 0.00 37.83 33.93 3eyh s LYS 1057CO 0.00 0.22 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.49 3eyh s PHE 1058N 0.51 2.57 0.36 3.18 0.08 -1.26 -3.25 117.98 120.17 3eyh s PHE 1058Ca 0.18 -1.73 0.08 0.00 0.12 0.00 0.00 56.93 55.57 3eyh s PHE 1058Cb -0.13 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3eyh s PHE 1058CO 0.05 -0.77 0.28 0.71 -0.10 0.00 0.00 175.22 175.39 3eyh s TYR 1059N 1.34 2.80 0.24 0.36 2.02 -1.26 -4.82 117.35 118.04 3eyh s TYR 1059Ca -0.03 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3eyh s TYR 1059Cb -0.17 -1.88 0.34 0.00 -0.40 0.00 0.00 41.96 39.85 3eyh s TYR 1059CO -0.08 0.13 1.85 0.82 -1.57 0.00 0.00 175.55 176.70 3eyh h ILE 1060N 1.25 1.04 -0.11 2.71 2.04 -1.93 0.14 117.51 122.65 3eyh h ILE 1060Ca -0.43 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3eyh h ILE 1060Cb 1.26 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3eyh h ILE 1060CO 0.59 0.18 0.20 0.00 0.00 0.00 0.00 178.15 179.12 3eyh h ALA 1061N 1.41 1.52 -0.15 1.87 0.00 -1.91 -0.57 119.26 121.43 3eyh h ALA 1061Ca 0.38 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 3eyh h ALA 1061Cb 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3eyh h ALA 1061CO -0.17 -0.25 -0.60 0.77 0.00 0.00 0.00 179.25 178.99 3eyh h SER 1062N 0.00 0.57 -0.02 0.00 0.02 -1.33 -2.24 113.55 110.56 3eyh h SER 1062Ca 0.05 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 3eyh h SER 1062Cb 0.45 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3eyh h SER 1062CO -0.00 1.04 -0.30 0.44 -1.14 0.00 0.00 176.83 176.87 3eyh h ASP 1063N 0.38 0.48 -0.15 3.07 3.32 -1.04 -2.27 116.42 120.21 3eyh h ASP 1063Ca -0.00 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3eyh h ASP 1063Cb 1.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3eyh h ASP 1063CO 0.11 0.76 0.08 0.58 -1.72 0.00 0.00 179.24 179.05 3eyh h VAL 1064N 0.41 1.09 -0.43 -1.35 2.07 -1.27 0.17 116.25 116.93 3eyh h VAL 1064Ca 0.05 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3eyh h VAL 1064Cb 0.73 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 3eyh h VAL 1064CO 0.06 0.08 -0.34 -0.25 0.02 0.00 0.00 177.57 177.14 3eyh h TRP 1065N 0.15 -0.96 -0.72 1.57 2.91 -1.33 -1.34 115.95 116.24 3eyh h TRP 1065Ca 0.05 0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.14 3eyh h TRP 1065Cb 0.06 0.48 -0.04 0.00 -0.51 0.00 0.00 29.16 29.16 3eyh h TRP 1065CO -0.04 -0.39 0.48 0.77 -1.03 0.00 0.00 178.44 178.22 3eyh h SER 1066N -0.25 0.82 -0.53 2.65 0.02 -0.84 -1.59 113.55 113.83 3eyh h SER 1066Ca 0.18 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 3eyh h SER 1066Cb 0.55 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3eyh h SER 1066CO -0.57 0.59 0.27 0.15 -1.14 0.00 0.00 176.83 176.13 3eyh h PHE 1067N 0.96 0.50 -0.73 3.45 3.57 -0.12 0.58 116.94 125.15 3eyh h PHE 1067Ca 0.27 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.94 3eyh h PHE 1067Cb -0.09 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 38.39 3eyh h PHE 1067CO -0.00 0.24 0.18 0.78 -2.23 0.00 0.00 178.31 177.29 3eyh h GLY 1068N 0.52 1.02 1.05 2.40 0.00 -0.27 0.53 103.07 108.33 3eyh h GLY 1068Ca 0.23 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 3eyh h GLY 1068CO -0.16 -0.19 -0.28 -2.08 0.00 0.00 0.00 176.54 173.83 3eyh h VAL 1069N 0.28 1.28 -0.77 4.60 2.07 -1.01 -1.98 116.25 120.72 3eyh h VAL 1069Ca 0.41 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.50 3eyh h VAL 1069Cb 0.70 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3eyh h VAL 1069CO -0.50 0.48 0.51 0.74 0.02 0.00 0.00 177.57 178.82 3eyh h THR 1070N 0.65 1.18 -0.47 2.57 2.02 0.35 -1.54 112.91 117.67 3eyh h THR 1070Ca 0.07 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3eyh h THR 1070Cb 0.86 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3eyh h THR 1070CO 0.08 0.19 0.12 0.25 0.37 0.00 0.00 175.52 176.52 3eyh h LEU 1071N 1.02 0.71 -0.34 2.58 5.85 0.21 -1.16 115.31 124.18 3eyh h LEU 1071Ca 0.29 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3eyh h LEU 1071Cb -0.09 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3eyh h LEU 1071CO -0.07 0.75 0.10 -0.74 -0.34 0.00 0.00 178.44 178.15 3eyh h HIS 1072N 0.64 0.17 -0.23 1.25 2.76 -0.83 -1.71 115.15 117.20 3eyh h HIS 1072Ca 0.15 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3eyh h HIS 1072Cb 0.32 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 3eyh h HIS 1072CO 0.02 0.06 -0.16 0.93 -1.30 0.00 0.00 177.93 177.48 3eyh h GLU 1073N 0.23 -0.15 -0.41 5.26 5.08 -0.94 -2.22 114.58 121.45 3eyh h GLU 1073Ca 0.16 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3eyh h GLU 1073Cb 0.15 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 3eyh h GLU 1073CO -0.18 -0.10 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.48 3eyh h LEU 1074N -0.15 -0.63 -1.90 1.33 4.07 -0.76 0.77 115.31 118.04 3eyh h LEU 1074Ca 0.13 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 3eyh h LEU 1074Cb 0.35 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3eyh h LEU 1074CO -0.32 -0.22 -0.05 -0.07 -1.08 0.00 0.00 178.44 176.70 3eyh h LEU 1075N -0.11 0.00 -2.57 1.67 3.38 -1.13 -1.04 115.31 115.52 3eyh h LEU 1075Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3eyh h LEU 1075Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3eyh h LEU 1075CO -0.47 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.45 3eyh n THR 1076N -3.24 0.99 -2.49 0.22 -2.24 -0.58 -4.91 114.28 102.03 3eyh n THR 1076Ca -0.01 -0.94 -0.16 0.00 -2.27 0.00 0.00 64.05 60.67 3eyh n THR 1076Cb 0.25 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 3eyh n THR 1076CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3eyh n TYR 1077N 1.48 -1.31 -2.83 4.78 4.02 -0.40 -1.79 117.16 121.12 3eyh n TYR 1077Ca 0.23 0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.98 3eyh n TYR 1077Cb 0.60 -3.30 0.00 0.00 -0.02 0.00 0.00 39.34 36.63 3eyh n TYR 1077CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3eyh n ASP 1079N -2.14 3.65 -0.20 0.00 2.03 -0.74 -4.84 116.55 114.31 3eyh n ASP 1079Ca -0.12 0.96 0.10 0.00 0.52 0.00 0.00 54.79 56.25 3eyh n ASP 1079Cb 0.61 -1.42 0.39 0.00 -0.72 0.00 0.00 41.12 39.98 3eyh n ASP 1079CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3eyh h SER 1080N 9.54 0.61 0.70 1.67 4.64 -1.91 -1.15 113.55 127.64 3eyh h SER 1080Ca -0.49 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3eyh h SER 1080Cb 1.26 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3eyh h SER 1080CO 0.95 0.36 0.00 0.47 -0.87 0.00 0.00 176.83 177.73 3eyh n ASP 1081N -4.50 0.56 -0.38 4.97 8.00 -1.26 -2.23 116.55 121.71 3eyh n ASP 1081Ca 0.13 0.64 0.06 0.00 0.71 0.00 0.00 54.79 56.33 3eyh n ASP 1081Cb 0.35 -0.76 0.14 0.00 -0.02 0.00 0.00 41.12 40.83 3eyh n ASP 1081CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3eyh n SER 1082N -2.12 2.77 -4.75 -2.24 7.64 -0.46 -4.61 113.62 109.84 3eyh n SER 1082Ca 0.02 -2.56 -0.38 0.00 1.01 0.00 0.00 58.87 56.96 3eyh n SER 1082Cb 0.22 -0.31 0.04 0.00 -1.01 0.00 0.00 64.21 63.15 3eyh n SER 1082CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3eyh s SER 1083N -1.76 5.27 0.32 6.43 1.04 -0.95 -4.66 113.70 119.39 3eyh s SER 1083Ca 0.25 2.73 0.06 0.00 0.48 0.00 0.00 55.95 59.46 3eyh s SER 1083Cb 0.19 -2.63 0.87 0.00 0.10 0.00 0.00 66.02 64.55 3eyh s SER 1083CO 0.06 -1.57 1.59 -0.65 0.98 0.00 0.00 173.24 173.65 3eyh h PRO 1084N 1.42 0.04 0.04 4.02 0.11 -1.92 0.22 132.00 135.93 3eyh h PRO 1084Ca -0.51 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3eyh h PRO 1084Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3eyh h PRO 1084CO 0.57 0.03 -0.02 1.98 -0.21 0.00 0.00 178.00 180.35 3eyh h MET 1085N 0.04 -0.05 -0.59 1.05 4.05 -1.90 0.97 114.93 118.49 3eyh h MET 1085Ca 0.64 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 60.09 3eyh h MET 1085Cb 1.42 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.19 3eyh h MET 1085CO -0.84 0.22 0.37 0.00 0.23 0.00 0.00 176.91 176.88 3eyh h ALA 1086N 0.62 0.77 -0.05 0.39 0.00 -1.48 0.08 119.26 119.59 3eyh h ALA 1086Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3eyh h ALA 1086Cb 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3eyh h ALA 1086CO 0.01 0.11 -0.02 -0.07 0.00 0.00 0.00 179.25 179.28 3eyh h LEU 1087N 0.73 0.11 -1.01 0.00 3.38 -0.57 -2.80 115.31 115.14 3eyh h LEU 1087Ca 0.24 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3eyh h LEU 1087Cb 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3eyh h LEU 1087CO -0.09 0.48 0.34 -0.26 0.09 0.00 0.00 178.44 179.00 3eyh h PHE 1088N -0.27 1.04 0.00 1.13 0.05 -0.72 -1.97 116.94 116.20 3eyh h PHE 1088Ca 0.01 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.73 3eyh h PHE 1088Cb 0.44 -0.32 -0.00 0.00 2.00 0.00 0.00 35.95 38.06 3eyh h PHE 1088CO 0.06 0.76 -0.15 -0.07 -0.18 0.00 0.00 178.31 178.74 3eyh h LEU 1089N 1.04 0.00 -1.05 1.54 3.38 -1.02 -1.14 115.31 118.06 3eyh h LEU 1089Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3eyh h LEU 1089Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3eyh h LEU 1089CO -0.03 0.15 -0.35 0.11 0.09 0.00 0.00 178.44 178.41 3eyh h LYS 1090N 0.00 0.23 0.07 1.13 6.56 -1.08 -0.05 116.57 123.43 3eyh h LYS 1090Ca -0.00 -0.10 -0.25 0.00 -1.06 0.00 0.00 60.65 59.25 3eyh h LYS 1090Cb 0.35 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 3eyh h LYS 1090CO 0.02 0.56 -1.14 0.52 -2.06 0.00 0.00 179.45 177.35 3eyh h MET 1091N 0.20 0.15 -0.00 3.15 2.86 -0.98 -3.38 114.93 116.93 3eyh h MET 1091Ca 0.02 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3eyh h MET 1091Cb 0.72 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3eyh h MET 1091CO 0.05 1.12 -0.23 0.44 1.06 0.00 0.00 176.91 179.36 3eyh n ILE 1092N -3.45 0.00 0.00 -1.22 -5.35 -0.83 -5.11 119.36 103.40 3eyh n ILE 1092Ca -0.05 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3eyh n ILE 1092Cb 0.99 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 3eyh n ILE 1092CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eyh n GLY 1093N 1.02 -0.66 0.10 3.28 0.00 -0.04 -4.90 105.19 103.99 3eyh n GLY 1093Ca 0.01 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.75 3eyh n GLY 1093CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3eyh h PRO 1094N 0.00 0.00 -0.82 1.61 0.13 -1.96 -3.40 132.00 127.56 3eyh h PRO 1094Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 3eyh h PRO 1094Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 3eyh h PRO 1094CO 0.00 0.00 0.05 0.25 -0.23 0.00 0.00 178.00 178.07 3eyh n THR 1095N -2.42 3.04 1.08 1.56 -2.24 -1.26 -4.55 114.28 109.49 3eyh n THR 1095Ca 0.02 -3.42 0.12 0.00 -2.27 0.00 0.00 64.05 58.50 3eyh n THR 1095Cb 0.49 -1.04 0.13 0.00 -2.10 0.00 0.00 70.33 67.82 3eyh n THR 1095CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3eyh n HIS 1096N -0.86 0.00 0.00 4.78 8.25 -1.26 -5.02 115.22 121.11 3eyh n HIS 1096Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 3eyh n HIS 1096Cb 0.87 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.96 3eyh n HIS 1096CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3eyh n GLY 1097N 1.36 1.94 0.15 -1.41 0.00 -1.26 -0.18 105.19 105.79 3eyh n GLY 1097Ca 0.12 0.34 0.08 0.00 0.00 0.00 0.00 46.02 46.56 3eyh n GLY 1097CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3eyh n GLN 1098N 11.77 0.10 0.00 1.61 6.02 -1.26 -0.34 117.38 135.28 3eyh n GLN 1098Ca 0.00 0.58 0.13 0.00 -0.01 0.00 0.00 57.00 57.71 3eyh n GLN 1098Cb 0.00 -1.99 0.41 0.00 1.02 0.00 0.00 30.24 29.67 3eyh n GLN 1098CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3eyh n MET 1099N -2.08 1.58 0.18 -1.09 2.81 0.75 -4.50 117.12 114.77 3eyh n MET 1099Ca -0.01 -1.02 -0.15 0.00 -1.81 0.00 0.00 57.70 54.71 3eyh n MET 1099Cb 0.18 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.13 3eyh n MET 1099CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3eyh h THR 1100N 2.48 0.17 -0.95 2.03 2.02 -0.78 -1.02 112.91 116.87 3eyh h THR 1100Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3eyh h THR 1100Cb 0.59 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 3eyh h THR 1100CO 0.00 0.00 0.62 0.58 0.37 0.00 0.00 175.52 177.09 3eyh h VAL 1101N -0.74 1.22 -0.87 3.16 2.07 -1.81 0.11 116.25 119.40 3eyh h VAL 1101Ca -0.01 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3eyh h VAL 1101Cb 0.71 -0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 3eyh h VAL 1101CO -0.15 0.23 0.53 0.74 0.02 0.00 0.00 177.57 178.94 3eyh h THR 1102N 1.26 0.98 -0.06 2.57 2.02 -1.75 0.06 112.91 117.99 3eyh h THR 1102Ca 0.35 -0.31 -0.19 0.00 0.77 0.00 0.00 66.41 67.03 3eyh h THR 1102Cb -0.12 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 3eyh h THR 1102CO -0.09 0.17 -0.75 0.03 0.37 0.00 0.00 175.52 175.25 3eyh h ARG 1103N 0.91 0.37 0.15 6.66 3.08 -0.01 -1.08 114.38 124.46 3eyh h ARG 1103Ca 0.40 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3eyh h ARG 1103Cb 0.28 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3eyh h ARG 1103CO -0.21 0.96 -0.14 1.25 -1.07 0.00 0.00 179.97 180.76 3eyh h LEU 1104N 0.25 -0.37 -0.37 3.04 5.85 -0.30 -1.34 115.31 122.07 3eyh h LEU 1104Ca -0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3eyh h LEU 1104Cb 1.33 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3eyh h LEU 1104CO 0.13 -0.22 0.17 0.58 -0.34 0.00 0.00 178.44 178.76 3eyh h VAL 1105N -0.31 0.95 -0.29 1.05 2.07 -0.91 -0.87 116.25 117.94 3eyh h VAL 1105Ca 0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3eyh h VAL 1105Cb 0.29 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 3eyh h VAL 1105CO -0.03 0.06 -0.15 0.78 0.02 0.00 0.00 177.57 178.25 3eyh h ASN 1106N 0.35 -0.51 -0.66 0.57 2.35 -1.10 0.18 115.58 116.75 3eyh h ASN 1106Ca 0.16 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3eyh h ASN 1106Cb 0.09 0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 3eyh h ASN 1106CO -0.13 -0.19 0.42 0.74 -1.65 0.00 0.00 177.43 176.62 3eyh h THR 1107N -0.12 1.11 -0.39 2.81 2.02 -0.73 -1.83 112.91 115.78 3eyh h THR 1107Ca 0.15 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 3eyh h THR 1107Cb 0.35 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3eyh h THR 1107CO -0.36 0.15 -0.30 -0.07 0.37 0.00 0.00 175.52 175.32 3eyh h LEU 1108N 0.84 0.88 -1.61 2.58 3.38 -0.64 -2.58 115.31 118.15 3eyh h LEU 1108Ca 0.26 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3eyh h LEU 1108Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3eyh h LEU 1108CO -0.09 1.11 0.29 0.11 0.09 0.00 0.00 178.44 179.95 3eyh h LYS 1109N 0.71 0.51 0.00 1.13 1.57 -0.34 -0.30 116.57 119.85 3eyh h LYS 1109Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3eyh h LYS 1109Cb 0.85 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3eyh h LYS 1109CO 0.07 0.33 0.00 0.39 -0.57 0.00 0.00 179.45 179.68 3eyh n GLU 1110N -4.48 0.18 -0.36 3.15 1.02 -0.72 -4.88 120.64 114.56 3eyh n GLU 1110Ca 0.04 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3eyh n GLU 1110Cb 0.12 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 3eyh n GLU 1110CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3eyh n GLY 1111N 0.21 0.81 3.76 0.62 0.00 -0.12 -5.05 105.19 105.41 3eyh n GLY 1111Ca 0.03 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3eyh n GLY 1111CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3eyh s LYS 1112N -0.67 4.78 0.22 1.61 1.02 -1.00 -5.03 119.74 120.67 3eyh s LYS 1112Ca 0.00 1.44 0.02 0.00 0.02 0.00 0.00 55.97 57.45 3eyh s LYS 1112Cb 0.00 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 3eyh s LYS 1112CO 0.00 0.46 0.04 1.03 -0.92 0.00 0.00 175.35 175.96 3eyh s ARG 1113N -1.41 1.29 0.35 1.68 1.81 -1.26 -4.45 118.95 116.96 3eyh s ARG 1113Ca 0.43 -1.66 -0.28 0.00 -1.72 0.00 0.00 55.73 52.50 3eyh s ARG 1113Cb -0.24 -0.35 -0.12 0.00 -0.45 0.00 0.00 34.95 33.79 3eyh s ARG 1113CO 0.30 -0.19 1.37 1.28 -0.68 0.00 0.00 175.30 177.38 3eyh n LEU 1114N -0.38 4.05 -4.87 2.53 4.77 -1.26 -4.98 117.00 116.86 3eyh n LEU 1114Ca -0.03 1.22 -0.29 0.00 -0.03 0.00 0.00 56.01 56.87 3eyh n LEU 1114Cb 0.65 -1.54 0.10 0.00 -2.33 0.00 0.00 43.42 40.29 3eyh n LEU 1114CO 0.36 -0.22 0.77 -2.16 -1.33 0.00 0.00 177.39 174.81 3eyh s PRO 1115N -1.94 1.88 -0.01 3.23 0.04 -1.26 -4.97 135.00 131.98 3eyh s PRO 1115Ca 0.55 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 3eyh s PRO 1115Cb -0.53 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 3eyh s PRO 1115CO 0.63 -1.67 1.74 0.00 0.04 0.00 0.00 177.00 177.74 3eyh n PRO 1117N 7.03 1.24 -2.30 0.00 -0.02 -1.26 -4.89 135.00 134.80 3eyh n PRO 1117Ca 0.18 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 3eyh n PRO 1117Cb 0.42 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3eyh n PRO 1117CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3eyh s PRO 1118N -2.49 3.82 0.00 0.52 0.04 -1.26 -2.13 135.00 133.50 3eyh s PRO 1118Ca 0.70 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3eyh s PRO 1118Cb -0.46 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3eyh s PRO 1118CO 0.51 -0.49 0.00 0.09 0.04 0.00 0.00 177.00 177.16 3eyh n ASN 1119N -0.42 0.00 -4.67 6.66 3.02 -1.26 -4.98 115.26 113.60 3eyh n ASN 1119Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3eyh n ASN 1119Cb 0.48 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 3eyh n ASN 1119CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3eyh s PRO 1121N 2.20 2.75 0.30 0.00 0.02 -1.26 -4.81 135.00 134.20 3eyh s PRO 1121Ca 0.38 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.65 3eyh s PRO 1121Cb -0.16 -1.95 0.51 0.00 0.02 0.00 0.00 34.50 32.92 3eyh s PRO 1121CO 0.12 -1.27 1.92 0.22 -0.33 0.00 0.00 177.00 177.66 3eyh h ASP 1122N -0.31 0.91 -0.05 2.53 3.58 -1.98 -1.58 116.42 119.53 3eyh h ASP 1122Ca -0.46 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 3eyh h ASP 1122Cb 1.23 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 3eyh h ASP 1122CO 0.54 0.60 -0.12 1.05 -2.88 0.00 0.00 179.24 178.43 3eyh h GLU 1123N 1.04 0.35 -0.02 0.28 9.09 -1.99 0.33 114.58 123.65 3eyh h GLU 1123Ca 0.37 -0.09 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 3eyh h GLU 1123Cb 0.14 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3eyh h GLU 1123CO -0.13 0.48 -0.02 0.28 0.05 0.00 0.00 179.01 179.66 3eyh h VAL 1124N 0.33 1.38 -1.00 -1.06 2.07 -1.81 -3.11 116.25 113.05 3eyh h VAL 1124Ca 0.07 -1.16 0.15 0.00 0.82 0.00 0.00 66.70 66.57 3eyh h VAL 1124Cb 0.42 2.11 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 3eyh h VAL 1124CO 0.02 0.31 0.62 0.22 0.02 0.00 0.00 177.57 178.77 3eyh h TYR 1125N -0.41 1.09 -0.11 1.57 5.03 -0.82 -1.44 116.97 121.89 3eyh h TYR 1125Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 3eyh h TYR 1125Cb 0.51 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 3eyh h TYR 1125CO 0.09 0.36 -0.06 1.96 -1.32 0.00 0.00 178.16 179.20 3eyh h GLN 1126N 0.89 0.16 -0.31 1.82 1.08 -0.35 -0.72 115.11 117.68 3eyh h GLN 1126Ca 0.52 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.55 3eyh h GLN 1126Cb 0.66 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3eyh h GLN 1126CO -0.30 0.24 -0.39 -0.07 -0.95 0.00 0.00 178.83 177.35 3eyh h LEU 1127N 0.16 0.89 -0.42 1.46 3.38 -1.22 -2.60 115.31 116.96 3eyh h LEU 1127Ca 0.04 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.56 3eyh h LEU 1127Cb 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3eyh h LEU 1127CO 0.01 1.20 0.19 -0.03 0.09 0.00 0.00 178.44 179.90 3eyh h MET 1128N 0.59 0.37 -0.39 1.13 4.05 -0.92 -2.58 114.93 117.18 3eyh h MET 1128Ca 0.04 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3eyh h MET 1128Cb 0.99 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 3eyh h MET 1128CO 0.09 0.24 0.21 0.00 0.23 0.00 0.00 176.91 177.68 3eyh h ARG 1129N 0.38 0.53 0.00 0.39 2.47 -1.09 -1.67 114.38 115.39 3eyh h ARG 1129Ca 0.19 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3eyh h ARG 1129Cb 0.12 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3eyh h ARG 1129CO -0.15 0.40 0.00 0.87 0.56 0.00 0.00 179.97 181.64 3eyh h LYS 1130N 0.54 0.00 0.00 0.04 1.57 -1.06 -0.48 116.57 117.18 3eyh h LYS 1130Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3eyh h LYS 1130Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3eyh h LYS 1130CO -0.02 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.79 3eyh n TRP 1132N -3.08 1.14 -1.69 0.00 8.01 -0.19 -3.51 117.44 118.11 3eyh n TRP 1132Ca 0.04 -0.79 -0.43 0.00 -1.31 0.00 0.00 57.50 55.01 3eyh n TRP 1132Cb 0.54 -0.32 -0.01 0.00 -2.01 0.00 0.00 31.31 29.51 3eyh n TRP 1132CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3eyh n GLU 1133N -0.08 2.09 -0.20 -0.99 -0.58 -1.19 -4.91 120.64 114.78 3eyh n GLU 1133Ca 0.22 0.73 -0.07 0.00 -0.42 0.00 0.00 57.16 57.62 3eyh n GLU 1133Cb 0.90 -2.32 0.03 0.00 -0.57 0.00 0.00 31.44 29.48 3eyh n GLU 1133CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3eyh h PHE 1134N 2.84 0.78 -3.36 -0.32 3.57 -1.95 -3.42 116.94 115.08 3eyh h PHE 1134Ca -0.46 -0.01 -0.56 0.00 3.53 0.00 0.00 57.97 60.47 3eyh h PHE 1134Cb 1.28 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 3eyh h PHE 1134CO 0.52 0.55 0.07 -0.65 -2.23 0.00 0.00 178.31 176.56 3eyh s GLN 1135N -5.92 4.42 0.35 1.11 -1.52 -1.26 -4.75 119.66 112.09 3eyh s GLN 1135Ca -0.13 0.83 0.11 0.00 -1.95 0.00 0.00 55.36 54.22 3eyh s GLN 1135Cb 0.13 -3.45 0.89 0.00 -0.22 0.00 0.00 33.01 30.36 3eyh s GLN 1135CO 0.76 0.07 1.79 -1.35 -0.25 0.00 0.00 175.29 176.31 3eyh h PRO 1136N 6.77 0.60 0.00 2.91 0.11 -1.95 -1.73 132.00 138.71 3eyh h PRO 1136Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3eyh h PRO 1136Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3eyh h PRO 1136CO 0.75 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.60 3eyh h SER 1137N 0.61 0.00 0.35 -2.05 4.64 -1.95 -2.79 113.55 112.36 3eyh h SER 1137Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3eyh h SER 1137Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3eyh h SER 1137CO -0.33 0.00 -0.25 0.59 -0.87 0.00 0.00 176.83 175.97 3eyh n ASN 1138N -2.80 0.74 -4.85 4.97 3.02 -0.65 -4.92 115.26 110.78 3eyh n ASN 1138Ca 0.00 -0.64 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 3eyh n ASN 1138Cb 0.22 0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 3eyh n ASN 1138CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3eyh s ARG 1139N -2.60 3.96 0.74 3.52 0.52 -1.06 -4.86 118.95 119.16 3eyh s ARG 1139Ca 0.23 0.74 -0.13 0.00 -0.52 0.00 0.00 55.73 56.05 3eyh s ARG 1139Cb 0.19 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 33.38 3eyh s ARG 1139CO 0.54 -0.02 1.12 -0.08 0.02 0.00 0.00 175.30 176.88 3eyh s THR 1140N -2.26 2.99 0.69 0.02 -1.32 -0.85 -5.03 115.64 109.87 3eyh s THR 1140Ca 0.55 0.40 -0.07 0.00 -1.21 0.00 0.00 61.69 61.36 3eyh s THR 1140Cb -0.10 -2.86 0.05 0.00 -1.51 0.00 0.00 72.50 68.08 3eyh s THR 1140CO 0.24 -0.34 1.01 -0.94 -2.21 0.00 0.00 174.62 172.37 3eyh s SER 1141N -2.78 4.99 0.12 8.08 1.04 -1.26 -4.92 113.70 118.97 3eyh s SER 1141Ca 0.66 0.58 -0.13 0.00 0.48 0.00 0.00 55.95 57.54 3eyh s SER 1141Cb -0.21 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.56 3eyh s SER 1141CO 0.49 -1.50 1.46 -0.26 0.98 0.00 0.00 173.24 174.41 3eyh h PHE 1142N -0.56 0.99 -0.89 5.02 0.04 -1.96 -1.99 116.94 117.59 3eyh h PHE 1142Ca -0.45 -0.29 0.09 0.00 2.80 0.00 0.00 57.97 60.13 3eyh h PHE 1142Cb 1.30 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 39.16 3eyh h PHE 1142CO 0.37 1.07 0.53 0.37 -0.60 0.00 0.00 178.31 180.06 3eyh h GLN 1143N 0.63 0.88 -0.44 1.51 5.75 -1.95 1.00 115.11 122.49 3eyh h GLN 1143Ca 0.06 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 3eyh h GLN 1143Cb 0.88 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 3eyh h GLN 1143CO 0.08 0.58 -0.04 -0.97 -2.65 0.00 0.00 178.83 175.83 3eyh h ASN 1144N 0.91 0.71 -0.18 -0.69 -0.00 -1.93 -2.23 115.58 112.17 3eyh h ASN 1144Ca 0.42 -0.18 -0.01 0.00 -0.00 0.00 0.00 56.30 56.53 3eyh h ASN 1144Cb 0.33 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.45 3eyh h ASN 1144CO -0.23 0.81 0.07 -0.07 -0.00 0.00 0.00 177.43 178.01 3eyh h LEU 1145N 0.68 0.25 -0.38 0.34 3.38 -0.52 -0.73 115.31 118.33 3eyh h LEU 1145Ca 0.13 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3eyh h LEU 1145Cb 0.48 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 3eyh h LEU 1145CO 0.02 0.34 -0.20 0.40 0.09 0.00 0.00 178.44 179.09 3eyh h ILE 1146N 0.14 0.42 -0.14 1.22 2.04 -0.60 0.11 117.51 120.70 3eyh h ILE 1146Ca 0.06 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3eyh h ILE 1146Cb 0.17 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3eyh h ILE 1146CO -0.01 0.00 -0.34 -0.33 0.00 0.00 0.00 178.15 177.47 3eyh h GLU 1147N -0.14 0.28 -0.11 2.37 5.08 -1.32 -1.12 114.58 119.60 3eyh h GLU 1147Ca 0.19 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3eyh h GLU 1147Cb 0.43 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3eyh h GLU 1147CO -0.46 0.59 0.03 0.78 -1.00 0.00 0.00 179.01 178.95 3eyh h GLY 1148N 1.11 0.19 0.75 -3.84 0.00 -0.01 -1.82 103.07 99.45 3eyh h GLY 1148Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3eyh h GLY 1148CO 0.05 0.11 0.00 0.74 0.00 0.00 0.00 176.54 177.45 3eyh h PHE 1149N -0.01 0.15 -0.87 5.60 0.04 -0.67 -3.15 116.94 118.02 3eyh h PHE 1149Ca 0.04 -0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.94 3eyh h PHE 1149Cb 0.24 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.28 3eyh h PHE 1149CO 0.00 0.39 0.57 0.93 -0.60 0.00 0.00 178.31 179.61 3eyh h GLU 1150N -0.14 0.54 0.00 1.51 5.08 -1.18 0.20 114.58 120.59 3eyh h GLU 1150Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3eyh h GLU 1150Cb 0.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3eyh h GLU 1150CO 0.00 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 3eyh h ALA 1151N 1.61 1.00 -0.17 3.43 0.00 -1.29 -0.61 119.26 123.23 3eyh h ALA 1151Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3eyh h ALA 1151Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3eyh h ALA 1151CO -0.19 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.34 3eyh n LEU 1152N -2.92 2.65 -4.30 0.00 4.77 0.68 -4.89 117.00 112.99 3eyh n LEU 1152Ca -0.01 -1.01 -0.34 0.00 -0.03 0.00 0.00 56.01 54.62 3eyh n LEU 1152Cb 0.18 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 3eyh n LEU 1152CO 0.22 0.51 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.59 3eyh s LEU 1153N -1.76 2.68 0.00 2.23 1.43 -0.24 -5.08 118.68 117.94 3eyh s LEU 1153Ca 0.34 -0.42 0.20 0.00 -1.03 0.00 0.00 54.13 53.23 3eyh s LEU 1153Cb 0.21 -1.64 0.16 0.00 0.03 0.00 0.00 46.19 44.95 3eyh s LEU 1153CO 0.30 0.05 1.15 1.17 0.23 0.00 0.00 176.35 179.25