#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3io7 s GLN 843 N 0.00 3.69 -0.33 1.09 -1.52 -1.26 -4.90 119.66 116.44 3io7 s GLN 843 Ca 0.00 0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.50 3io7 s GLN 843 Cb 0.00 -2.67 0.08 0.00 -0.22 0.00 0.00 33.01 30.20 3io7 s GLN 843 CO 0.00 0.28 0.03 -0.06 -0.25 0.00 0.00 175.29 175.29 3io7 s PHE 844 N -1.94 3.46 -0.02 0.91 0.40 -1.26 -5.09 117.98 114.44 3io7 s PHE 844 Ca 0.45 -2.37 -0.30 0.00 -0.60 0.00 0.00 56.93 54.11 3io7 s PHE 844 Cb -0.11 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 3io7 s PHE 844 CO 0.26 -0.89 1.20 -1.21 0.70 0.00 0.00 175.22 175.28 3io7 s GLU 845 N 1.11 4.38 0.13 0.44 2.02 -1.26 -4.51 118.70 121.01 3io7 s GLU 845 Ca 0.01 1.70 -0.24 0.00 0.02 0.00 0.00 54.97 56.46 3io7 s GLU 845 Cb -0.20 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 3io7 s GLU 845 CO -0.04 -0.38 1.20 -1.91 0.02 0.00 0.00 175.26 174.15 3io7 n GLU 846 N 4.79 -0.33 0.25 1.61 4.07 -1.26 -2.07 120.64 127.70 3io7 n GLU 846 Ca 0.10 1.18 0.17 0.00 -0.06 0.00 0.00 57.16 58.55 3io7 n GLU 846 Cb 0.46 -1.73 0.89 0.00 -0.06 0.00 0.00 31.44 31.01 3io7 n GLU 846 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 3io7 h ARG 847 N 0.00 0.00 -0.73 5.31 0.11 -1.97 -2.12 114.38 114.98 3io7 h ARG 847 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 3io7 h ARG 847 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3io7 h ARG 847 CO -0.73 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.06 3io7 n HIS 848 N -3.65 0.97 -3.01 4.08 8.25 -0.88 -4.79 115.22 116.20 3io7 n HIS 848 Ca -0.00 -0.49 -0.43 0.00 -0.26 0.00 0.00 57.72 56.54 3io7 n HIS 848 Cb 0.25 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 3io7 n HIS 848 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3io7 s LEU 849 N -1.02 4.43 -0.18 2.41 1.43 -0.80 -1.07 118.68 123.88 3io7 s LEU 849 Ca 0.49 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 3io7 s LEU 849 Cb 0.26 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3io7 s LEU 849 CO 0.34 -0.96 0.32 -0.54 0.23 0.00 0.00 176.35 175.74 3io7 s LYS 850 N 3.20 4.22 0.19 1.70 1.02 -0.13 -4.94 119.74 125.00 3io7 s LYS 850 Ca 0.25 0.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.04 3io7 s LYS 850 Cb -0.14 -3.47 -0.09 0.00 -0.52 0.00 0.00 37.83 33.60 3io7 s LYS 850 CO 0.18 0.13 1.41 0.12 -0.92 0.00 0.00 175.35 176.27 3io7 s PHE 851 N 0.79 3.15 -0.06 3.18 5.36 -1.26 -1.40 117.98 127.74 3io7 s PHE 851 Ca 0.17 1.01 -0.05 0.00 -0.96 0.00 0.00 56.93 57.09 3io7 s PHE 851 Cb -0.14 -3.74 -0.03 0.00 -0.34 0.00 0.00 43.02 38.77 3io7 s PHE 851 CO 0.05 -2.48 -0.12 1.28 -1.46 0.00 0.00 175.22 172.49 3io7 n LEU 852 N 3.07 0.97 -3.63 6.12 4.77 -0.09 -4.88 117.00 123.32 3io7 n LEU 852 Ca 0.09 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 3io7 n LEU 852 Cb 0.41 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3io7 n LEU 852 CO 0.59 -0.11 0.29 -1.10 -1.33 0.00 0.00 177.39 175.74 3io7 s GLN 853 N -2.23 0.82 0.48 3.23 -0.21 -0.98 -5.00 119.66 115.76 3io7 s GLN 853 Ca -0.12 0.46 -0.24 0.00 0.02 0.00 0.00 55.36 55.48 3io7 s GLN 853 Cb 0.04 0.39 -0.07 0.00 1.00 0.00 0.00 33.01 34.37 3io7 s GLN 853 CO 0.16 -0.19 1.37 -1.14 -2.12 0.00 0.00 175.29 173.37 3io7 s GLN 854 N -0.48 3.51 0.00 2.91 2.00 -1.26 -0.48 119.66 125.86 3io7 s GLN 854 Ca -0.06 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 55.57 3io7 s GLN 854 Cb -0.03 -2.50 0.00 0.00 0.80 0.00 0.00 33.01 31.28 3io7 s GLN 854 CO 0.05 -0.90 0.00 1.28 -0.50 0.00 0.00 175.29 175.21 3io7 n LEU 855 N -0.50 2.50 0.00 3.68 4.77 0.61 -4.77 117.00 123.30 3io7 n LEU 855 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3io7 n LEU 855 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3io7 n LEU 855 CO 0.55 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3io7 n GLY 856 N 3.25 -0.55 3.46 -0.72 0.00 -0.95 -4.97 105.19 104.70 3io7 n GLY 856 Ca 0.00 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 3io7 n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3io7 s LYS 857 N -2.00 3.22 0.00 1.61 -0.14 -1.26 -0.43 119.74 120.74 3io7 s LYS 857 Ca 0.00 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 3io7 s LYS 857 Cb 0.00 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.49 3io7 s LYS 857 CO 0.00 0.36 0.08 0.41 -0.76 0.00 0.00 175.35 175.44 3io7 n GLY 858 N 3.11 -1.23 0.00 -3.33 0.00 -1.26 -4.99 105.19 97.49 3io7 n GLY 858 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3io7 n GLY 858 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3io7 n GLY 861 N 0.82 0.00 3.40 -0.02 0.00 -1.26 -5.11 105.19 103.02 3io7 n GLY 861 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3io7 n GLY 861 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3io7 s SER 862 N 0.00 3.17 -0.14 1.61 1.04 0.10 -4.82 113.70 114.67 3io7 s SER 862 Ca 0.00 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.54 3io7 s SER 862 Cb 0.00 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.91 3io7 s SER 862 CO 0.00 0.03 -0.19 -0.69 0.98 0.00 0.00 173.24 173.37 3io7 s VAL 863 N -2.06 1.86 0.09 5.02 1.01 0.43 -1.88 120.40 124.86 3io7 s VAL 863 Ca 0.21 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3io7 s VAL 863 Cb -0.06 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3io7 s VAL 863 CO 0.10 0.51 -0.21 -1.61 0.00 0.00 0.00 175.10 173.89 3io7 s GLU 864 N 1.01 1.18 -0.21 2.72 2.02 -0.15 -0.28 118.70 125.00 3io7 s GLU 864 Ca -0.04 -1.14 -0.17 0.00 0.02 0.00 0.00 54.97 53.65 3io7 s GLU 864 Cb -0.15 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 3io7 s GLU 864 CO -0.05 0.34 0.44 1.41 0.02 0.00 0.00 175.26 177.42 3io7 s MET 865 N -1.80 4.17 0.08 1.61 -2.45 0.37 -0.70 119.30 120.57 3io7 s MET 865 Ca 0.07 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.80 3io7 s MET 865 Cb -0.10 -3.55 -0.04 0.00 1.25 0.00 0.00 34.83 32.39 3io7 s MET 865 CO 0.04 -0.09 -0.08 0.00 1.05 0.00 0.00 175.02 175.94 3io7 s ARG 867 N -3.03 3.67 -0.74 0.00 3.52 -0.50 -0.62 118.95 121.25 3io7 s ARG 867 Ca 0.05 -0.49 -0.27 0.00 -0.13 0.00 0.00 55.73 54.90 3io7 s ARG 867 Cb -0.00 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3io7 s ARG 867 CO -0.02 -0.24 1.27 -0.47 -0.81 0.00 0.00 175.30 175.02 3io7 s TYR 868 N 1.66 2.30 -0.62 5.12 5.04 -0.32 -0.95 117.35 129.58 3io7 s TYR 868 Ca 0.06 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.66 3io7 s TYR 868 Cb -0.16 -4.62 0.25 0.00 0.35 0.00 0.00 41.96 37.78 3io7 s TYR 868 CO 0.07 -2.06 0.72 -3.47 -1.34 0.00 0.00 175.55 169.47 3io7 n ASP 869 N 9.30 3.41 0.14 4.32 2.03 -0.23 -3.07 116.55 132.45 3io7 n ASP 869 Ca 0.04 -3.37 0.12 0.00 0.52 0.00 0.00 54.79 52.09 3io7 n ASP 869 Cb 0.49 -0.67 0.51 0.00 -0.72 0.00 0.00 41.12 40.73 3io7 n ASP 869 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3io7 n PRO 870 N 0.93 0.18 0.00 -0.67 -0.04 -1.26 -2.61 135.00 131.52 3io7 n PRO 870 Ca 0.29 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.36 3io7 n PRO 870 Cb 0.42 -1.89 0.35 0.00 -0.04 0.00 0.00 33.50 32.33 3io7 n PRO 870 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3io7 n LEU 871 N -2.24 1.23 -2.02 1.53 4.77 -1.26 -4.99 117.00 114.02 3io7 n LEU 871 Ca 0.01 -0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 55.46 3io7 n LEU 871 Cb 0.18 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3io7 n LEU 871 CO 0.17 0.23 -0.20 0.00 -1.33 0.00 0.00 177.39 176.26 3io7 n GLN 872 N -0.45 -1.68 -0.01 3.23 3.00 -1.07 -4.86 117.38 115.54 3io7 n GLN 872 Ca 0.13 0.92 0.02 0.00 -0.01 0.00 0.00 57.00 58.05 3io7 n GLN 872 Cb 0.37 -5.42 0.02 0.00 0.00 0.00 0.00 30.24 25.21 3io7 n GLN 872 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3io7 n ASP 873 N -1.51 2.06 -2.07 1.08 5.68 -1.26 -5.00 116.55 115.53 3io7 n ASP 873 Ca -0.19 -2.17 -0.16 0.00 -0.50 0.00 0.00 54.79 51.77 3io7 n ASP 873 Cb 0.62 -0.07 0.02 0.00 -1.14 0.00 0.00 41.12 40.55 3io7 n ASP 873 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3io7 n ASN 874 N -0.64 -4.71 -0.80 -1.12 3.02 -1.26 -4.91 115.26 104.83 3io7 n ASN 874 Ca 0.03 -0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.50 3io7 n ASN 874 Cb 0.31 -3.64 0.15 0.00 -0.61 0.00 0.00 39.78 36.00 3io7 n ASN 874 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3io7 n THR 875 N -4.11 0.55 -1.40 3.41 -2.24 -1.26 -5.03 114.28 104.20 3io7 n THR 875 Ca -0.10 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.60 3io7 n THR 875 Cb 0.60 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.80 3io7 n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3io7 s GLY 876 N -1.16 1.63 0.23 3.38 0.00 -1.26 -4.99 107.32 105.15 3io7 s GLY 876 Ca 0.27 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.62 3io7 s GLY 876 CO 0.22 0.36 1.40 1.85 0.00 0.00 0.00 173.10 176.92 3io7 s GLU 877 N -5.04 4.31 0.09 2.90 2.12 -1.18 -4.74 118.70 117.17 3io7 s GLU 877 Ca 0.61 2.21 -0.30 0.00 0.36 0.00 0.00 54.97 57.86 3io7 s GLU 877 Cb -0.16 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3io7 s GLU 877 CO 0.55 -0.36 0.99 0.08 -0.54 0.00 0.00 175.26 175.98 3io7 s VAL 878 N 0.07 4.51 0.31 3.70 1.01 -1.26 -1.18 120.40 127.56 3io7 s VAL 878 Ca 0.59 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.62 3io7 s VAL 878 Cb -0.40 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3io7 s VAL 878 CO 0.41 0.27 0.22 0.68 0.00 0.00 0.00 175.10 176.67 3io7 s VAL 879 N 0.27 0.12 -0.07 2.92 -7.23 0.21 -4.19 120.40 112.43 3io7 s VAL 879 Ca 0.49 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 3io7 s VAL 879 Cb -0.24 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 3io7 s VAL 879 CO 0.30 0.00 -0.23 0.00 -0.31 0.00 0.00 175.10 174.85 3io7 s ALA 880 N -3.58 2.22 -0.16 1.32 0.00 -0.01 -1.60 121.76 119.95 3io7 s ALA 880 Ca 0.38 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3io7 s ALA 880 Cb 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3io7 s ALA 880 CO 0.22 0.38 -0.15 0.08 0.00 0.00 0.00 175.76 176.29 3io7 s VAL 881 N -0.04 2.62 -0.21 0.00 1.01 0.12 -0.27 120.40 123.63 3io7 s VAL 881 Ca -0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3io7 s VAL 881 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3io7 s VAL 881 CO 0.05 0.51 0.05 -0.75 0.00 0.00 0.00 175.10 174.96 3io7 s LYS 882 N 0.93 3.77 0.06 2.72 2.20 0.38 -0.98 119.74 128.82 3io7 s LYS 882 Ca -0.03 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 3io7 s LYS 882 Cb -0.15 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3io7 s LYS 882 CO -0.02 0.03 -0.14 -1.59 -0.36 0.00 0.00 175.35 173.28 3io7 s LYS 883 N 1.00 0.82 0.60 4.03 -2.85 -0.79 -0.91 119.74 121.64 3io7 s LYS 883 Ca 0.03 -0.89 -0.17 0.00 -1.00 0.00 0.00 55.97 53.95 3io7 s LYS 883 Cb -0.14 -0.81 -0.03 0.00 -2.06 0.00 0.00 37.83 34.79 3io7 s LYS 883 CO 0.03 0.18 1.09 -0.51 0.10 0.00 0.00 175.35 176.24 3io7 s LEU 884 N -1.59 3.54 -0.17 2.77 1.43 -1.26 0.01 118.68 123.42 3io7 s LEU 884 Ca -0.02 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 3io7 s LEU 884 Cb -0.09 -4.55 -0.22 0.00 0.03 0.00 0.00 46.19 41.35 3io7 s LEU 884 CO 0.02 -1.30 0.16 0.00 0.23 0.00 0.00 176.35 175.46 3io7 n GLN 885 N -1.93 0.68 -3.32 1.70 1.13 -1.26 -4.69 117.38 109.70 3io7 n GLN 885 Ca 0.10 0.17 -0.25 0.00 -1.94 0.00 0.00 57.00 55.07 3io7 n GLN 885 Cb 0.52 -1.62 -0.08 0.00 0.11 0.00 0.00 30.24 29.17 3io7 n GLN 885 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3io7 n HIS 886 N -3.15 0.71 -1.91 1.08 8.25 -1.26 -5.08 115.22 113.86 3io7 n HIS 886 Ca -0.34 -3.71 -0.37 0.00 -0.26 0.00 0.00 57.72 53.04 3io7 n HIS 886 Cb 1.06 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.81 3io7 n HIS 886 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3io7 s SER 887 N -1.32 5.03 0.25 0.41 1.04 -1.26 -4.87 113.70 112.98 3io7 s SER 887 Ca 0.35 0.48 0.11 0.00 0.48 0.00 0.00 55.95 57.37 3io7 s SER 887 Cb 0.13 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 3io7 s SER 887 CO -0.10 -2.54 -0.19 0.42 0.98 0.00 0.00 173.24 171.81 3io7 s THR 888 N 9.98 2.28 0.32 2.02 -4.23 -1.26 -4.93 115.64 119.82 3io7 s THR 888 Ca 0.75 -2.33 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 3io7 s THR 888 Cb -0.13 -2.22 0.31 0.00 1.34 0.00 0.00 72.50 71.80 3io7 s THR 888 CO 0.21 -0.43 1.71 1.05 -0.54 0.00 0.00 174.62 176.62 3io7 h GLU 889 N 2.42 0.49 0.18 3.99 4.11 -1.99 0.68 114.58 124.46 3io7 h GLU 889 Ca -0.40 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 3io7 h GLU 889 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3io7 h GLU 889 CO 0.60 0.32 -0.09 1.49 0.07 0.00 0.00 179.01 181.40 3io7 h GLU 890 N 0.50 -0.23 0.00 1.06 4.81 -1.97 -2.91 114.58 115.84 3io7 h GLU 890 Ca 0.66 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.86 3io7 h GLU 890 Cb 1.32 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 3io7 h GLU 890 CO -0.51 0.14 -0.24 0.45 -0.73 0.00 0.00 179.01 178.11 3io7 h HIS 891 N -0.66 0.00 0.02 0.92 3.86 -1.62 -2.72 115.15 114.95 3io7 h HIS 891 Ca -0.02 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.94 3io7 h HIS 891 Cb 0.48 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.96 3io7 h HIS 891 CO 0.05 0.24 -1.00 1.25 0.86 0.00 0.00 177.93 179.33 3io7 h LEU 892 N 0.00 0.63 -1.14 2.43 6.46 -0.97 -1.86 115.31 120.86 3io7 h LEU 892 Ca -0.00 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 3io7 h LEU 892 Cb 0.47 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 3io7 h LEU 892 CO 0.03 1.33 0.51 -0.09 -0.62 0.00 0.00 178.44 179.60 3io7 h ARG 893 N 0.26 1.09 -0.22 1.25 2.43 -1.43 0.02 114.38 117.79 3io7 h ARG 893 Ca -0.10 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3io7 h ARG 893 Cb 1.65 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 3io7 h ARG 893 CO 0.18 0.75 0.09 -0.44 -1.51 0.00 0.00 179.97 179.04 3io7 h ASP 894 N 1.12 0.31 -0.42 -3.80 5.19 -1.38 -1.12 116.42 116.32 3io7 h ASP 894 Ca 0.30 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 3io7 h ASP 894 Cb -0.08 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3io7 h ASP 894 CO -0.06 0.38 0.09 0.15 -3.12 0.00 0.00 179.24 176.68 3io7 h PHE 895 N 0.21 0.79 -0.17 4.55 3.57 -1.06 -1.03 116.94 123.80 3io7 h PHE 895 Ca 0.07 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3io7 h PHE 895 Cb 0.17 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3io7 h PHE 895 CO -0.01 0.69 0.10 1.49 -2.23 0.00 0.00 178.31 178.34 3io7 h GLU 896 N 0.73 0.24 -0.64 1.11 4.81 -0.83 -1.56 114.58 118.44 3io7 h GLU 896 Ca 0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3io7 h GLU 896 Cb 0.32 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3io7 h GLU 896 CO 0.00 0.23 0.27 0.00 -0.73 0.00 0.00 179.01 178.78 3io7 h ARG 897 N 0.19 0.95 -0.75 1.92 3.08 -0.85 -2.34 114.38 116.59 3io7 h ARG 897 Ca 0.06 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 60.01 3io7 h ARG 897 Cb 0.05 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 3io7 h ARG 897 CO -0.01 0.80 0.43 1.49 -1.07 0.00 0.00 179.97 181.61 3io7 h GLU 898 N 0.90 0.75 -0.49 0.04 4.81 -1.10 -0.73 114.58 118.76 3io7 h GLU 898 Ca 0.22 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3io7 h GLU 898 Cb 0.19 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3io7 h GLU 898 CO -0.02 0.50 0.01 0.82 -0.73 0.00 0.00 179.01 179.59 3io7 h ILE 899 N 0.77 1.26 -0.85 2.32 2.04 -0.96 -0.85 117.51 121.24 3io7 h ILE 899 Ca 0.34 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3io7 h ILE 899 Cb 0.23 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3io7 h ILE 899 CO -0.20 0.37 0.56 -0.33 0.00 0.00 0.00 178.15 178.55 3io7 h GLU 900 N 0.71 1.11 0.77 2.37 4.39 -1.14 -0.55 114.58 122.25 3io7 h GLU 900 Ca 0.14 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3io7 h GLU 900 Cb 0.49 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3io7 h GLU 900 CO 0.02 0.74 -0.38 0.82 -1.16 0.00 0.00 179.01 179.05 3io7 h ILE 901 N 1.15 0.22 -0.31 3.13 2.04 -0.73 -2.85 117.51 120.15 3io7 h ILE 901 Ca 0.31 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.19 3io7 h ILE 901 Cb -0.13 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 3io7 h ILE 901 CO -0.07 0.00 0.16 0.25 0.00 0.00 0.00 178.15 178.49 3io7 h LEU 902 N -1.05 0.24 -1.30 1.44 5.85 -1.01 -2.69 115.31 116.79 3io7 h LEU 902 Ca -0.10 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.75 3io7 h LEU 902 Cb 0.81 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 3io7 h LEU 902 CO 0.16 0.18 0.56 0.50 -0.34 0.00 0.00 178.44 179.50 3io7 h LYS 903 N 0.33 0.70 -0.00 1.25 3.64 -1.17 0.05 116.57 121.37 3io7 h LYS 903 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3io7 h LYS 903 Cb 0.04 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3io7 h LYS 903 CO -0.09 0.46 0.00 -1.13 -2.27 0.00 0.00 179.45 176.43 3io7 n SER 904 N -4.54 0.13 -4.40 4.20 3.41 -1.02 -4.77 113.62 106.62 3io7 n SER 904 Ca 0.16 -1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.30 3io7 n SER 904 Cb 0.41 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.23 3io7 n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3io7 s LEU 905 N -1.93 3.31 -0.26 1.04 1.43 0.00 -5.06 118.68 117.22 3io7 s LEU 905 Ca 0.44 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3io7 s LEU 905 Cb 0.20 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.63 3io7 s LEU 905 CO 0.34 -0.04 0.07 -1.10 0.23 0.00 0.00 176.35 175.85 3io7 s GLN 906 N 1.57 0.67 -0.10 1.70 -0.21 -1.26 -4.79 119.66 117.24 3io7 s GLN 906 Ca 0.06 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 3io7 s GLN 906 Cb -0.15 -1.98 0.08 0.00 1.00 0.00 0.00 33.01 31.96 3io7 s GLN 906 CO 0.02 -0.83 0.75 -1.58 -2.12 0.00 0.00 175.29 171.53 3io7 s HIS 907 N 1.76 -0.62 0.63 0.91 2.46 -1.26 -5.05 115.29 114.12 3io7 s HIS 907 Ca 0.04 1.15 0.35 0.00 0.47 0.00 0.00 55.06 57.07 3io7 s HIS 907 Cb -0.17 0.40 1.97 0.00 -0.13 0.00 0.00 32.58 34.65 3io7 s HIS 907 CO -0.18 -0.53 2.20 -0.44 -2.47 0.00 0.00 174.74 173.32 3io7 h ASP 908 N 3.21 0.00 -0.06 9.88 3.45 -1.99 -2.15 116.42 128.76 3io7 h ASP 908 Ca -0.26 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.19 3io7 h ASP 908 Cb 1.15 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 3io7 h ASP 908 CO 0.33 0.00 -0.08 0.59 -1.57 0.00 0.00 179.24 178.50 3io7 n ASN 909 N -3.40 2.50 -4.17 6.45 4.13 -1.26 -4.85 115.26 114.65 3io7 n ASN 909 Ca -0.02 -3.24 -0.28 0.00 1.68 0.00 0.00 54.58 52.72 3io7 n ASN 909 Cb 0.19 -0.48 -0.16 0.00 -1.54 0.00 0.00 39.78 37.80 3io7 n ASN 909 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3io7 s ILE 910 N -2.95 1.63 0.40 2.41 1.01 -0.81 -0.39 121.20 122.50 3io7 s ILE 910 Ca 0.35 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 3io7 s ILE 910 Cb 0.31 -1.40 -0.10 0.00 0.01 0.00 0.00 42.46 41.28 3io7 s ILE 910 CO 0.02 0.46 1.48 0.54 0.00 0.00 0.00 174.94 177.44 3io7 s VAL 911 N 0.03 2.03 -0.11 2.92 0.11 -0.71 -4.62 120.40 120.05 3io7 s VAL 911 Ca -0.05 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 3io7 s VAL 911 Cb -0.13 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 3io7 s VAL 911 CO 0.03 0.01 1.14 -0.54 -3.33 0.00 0.00 175.10 172.41 3io7 s LYS 912 N -2.22 4.33 0.26 1.54 1.02 -1.26 -4.96 119.74 118.46 3io7 s LYS 912 Ca 0.55 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.80 3io7 s LYS 912 Cb -0.46 -3.61 -0.10 0.00 -0.52 0.00 0.00 37.83 33.14 3io7 s LYS 912 CO 0.61 -0.49 1.49 -0.47 -0.92 0.00 0.00 175.35 175.58 3io7 s TYR 913 N 2.55 2.93 -0.05 3.18 5.04 -1.26 -1.89 117.35 127.84 3io7 s TYR 913 Ca 0.52 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 56.13 3io7 s TYR 913 Cb -0.21 -3.91 -0.05 0.00 0.35 0.00 0.00 41.96 38.14 3io7 s TYR 913 CO 0.17 -2.99 -0.00 1.63 -1.34 0.00 0.00 175.55 173.02 3io7 n LYS 914 N 2.28 2.41 -3.96 4.97 5.02 0.06 -4.88 118.16 124.06 3io7 n LYS 914 Ca 0.07 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3io7 n LYS 914 Cb 0.39 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 3io7 n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3io7 n GLY 915 N 2.84 -1.86 3.21 0.72 0.00 -1.13 -4.96 105.19 104.01 3io7 n GLY 915 Ca -0.09 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 3io7 n GLY 915 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3io7 s VAL 916 N -2.68 1.40 -0.19 1.61 1.01 -1.26 -1.29 120.40 119.00 3io7 s VAL 916 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.70 3io7 s VAL 916 Cb 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.13 3io7 s VAL 916 CO 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 175.10 174.88 3io7 s TYR 918 N 1.27 3.42 0.00 0.00 2.02 -1.26 -2.00 117.35 120.80 3io7 s TYR 918 Ca 0.03 0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 3io7 s TYR 918 Cb -0.14 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3io7 s TYR 918 CO -0.12 0.51 0.00 -1.13 -1.57 0.00 0.00 175.55 173.25 3io7 n SER 919 N -0.54 0.00 -4.50 2.29 3.41 -1.26 -4.66 113.62 108.35 3io7 n SER 919 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.11 3io7 n SER 919 Cb 0.54 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 3io7 n SER 919 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3io7 s ARG 923 N -0.32 3.21 -0.06 4.33 3.52 -1.26 -4.94 118.95 123.44 3io7 s ARG 923 Ca 0.00 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3io7 s ARG 923 Cb 0.00 -3.95 0.03 0.00 -1.56 0.00 0.00 34.95 29.47 3io7 s ARG 923 CO 0.00 -0.89 0.02 1.21 -0.81 0.00 0.00 175.30 174.83 3io7 s ASN 924 N 1.88 1.33 -0.16 -2.12 3.04 -1.26 -5.11 114.94 112.54 3io7 s ASN 924 Ca 0.17 -0.02 -0.08 0.00 0.04 0.00 0.00 52.86 52.97 3io7 s ASN 924 Cb -0.16 -0.31 -0.04 0.00 -1.54 0.00 0.00 41.25 39.20 3io7 s ASN 924 CO 0.16 -0.21 0.10 -0.76 -3.04 0.00 0.00 177.10 173.34 3io7 s LEU 925 N 1.97 4.05 -0.22 3.21 1.43 -1.26 -4.52 118.68 123.34 3io7 s LEU 925 Ca 0.04 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3io7 s LEU 925 Cb -0.12 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3io7 s LEU 925 CO -0.04 0.25 -0.13 -0.54 0.23 0.00 0.00 176.35 176.12 3io7 s LYS 926 N -0.09 2.78 -0.06 1.70 1.02 -0.85 -4.20 119.74 120.04 3io7 s LYS 926 Ca 0.08 -0.99 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 3io7 s LYS 926 Cb -0.12 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3io7 s LYS 926 CO 0.01 -0.36 0.95 -1.17 -0.92 0.00 0.00 175.35 173.86 3io7 s LEU 927 N 1.26 4.30 -0.20 3.17 2.96 -0.08 -0.17 118.68 129.93 3io7 s LEU 927 Ca 0.00 1.53 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 3io7 s LEU 927 Cb -0.16 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3io7 s LEU 927 CO -0.08 -0.33 0.03 -0.63 -1.32 0.00 0.00 176.35 174.02 3io7 s ILE 928 N 1.46 4.32 0.17 6.68 -1.09 -0.41 -0.47 121.20 131.86 3io7 s ILE 928 Ca 0.48 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 3io7 s ILE 928 Cb -0.19 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 3io7 s ILE 928 CO 0.22 0.42 -0.08 -0.04 -1.23 0.00 0.00 174.94 174.24 3io7 s MET 929 N 0.85 1.12 0.54 2.79 -1.94 0.63 -0.76 119.30 122.53 3io7 s MET 929 Ca 0.02 -1.50 -0.22 0.00 -1.71 0.00 0.00 55.69 52.28 3io7 s MET 929 Cb -0.14 -0.62 -0.06 0.00 2.01 0.00 0.00 34.83 36.03 3io7 s MET 929 CO 0.02 0.03 1.23 -0.85 -0.01 0.00 0.00 175.02 175.45 3io7 n GLU 930 N -0.25 1.50 -3.22 2.03 0.28 -0.79 -0.83 120.64 119.37 3io7 n GLU 930 Ca -0.09 0.55 -0.40 0.00 -0.16 0.00 0.00 57.16 57.06 3io7 n GLU 930 Cb 0.61 -2.42 -0.07 0.00 1.43 0.00 0.00 31.44 30.99 3io7 n GLU 930 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3io7 s TYR 931 N -1.33 3.23 -0.51 -1.84 5.04 -1.26 -4.20 117.35 116.48 3io7 s TYR 931 Ca 0.71 0.52 -0.18 0.00 -2.44 0.00 0.00 57.07 55.67 3io7 s TYR 931 Cb -0.44 -2.82 0.07 0.00 0.35 0.00 0.00 41.96 39.12 3io7 s TYR 931 CO 0.50 -0.38 0.58 -0.51 -1.34 0.00 0.00 175.55 174.40 3io7 s LEU 932 N 2.39 5.21 0.56 6.97 1.43 -1.26 -4.97 118.68 129.00 3io7 s LEU 932 Ca 0.21 -1.10 0.37 0.00 -1.03 0.00 0.00 54.13 52.58 3io7 s LEU 932 Cb -0.15 -2.36 1.76 0.00 0.03 0.00 0.00 46.19 45.46 3io7 s LEU 932 CO 0.11 -0.86 2.10 -0.65 0.23 0.00 0.00 176.35 177.27 3io7 h PRO 933 N 8.96 0.00 -0.35 1.29 0.11 -1.76 -2.41 132.00 137.83 3io7 h PRO 933 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3io7 h PRO 933 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3io7 h PRO 933 CO 0.96 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.41 3io7 n TYR 934 N -2.95 0.45 -4.61 0.65 4.01 -0.57 -5.04 117.16 109.10 3io7 n TYR 934 Ca -0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 3io7 n TYR 934 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3io7 n TYR 934 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3io7 n GLY 935 N 1.27 0.24 3.74 2.72 0.00 -0.91 -4.60 105.19 107.64 3io7 n GLY 935 Ca 0.17 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3io7 n GLY 935 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3io7 s SER 936 N -4.00 7.06 0.40 1.61 0.15 -1.26 -0.35 113.70 117.31 3io7 s SER 936 Ca 0.00 2.27 0.07 0.00 0.70 0.00 0.00 55.95 59.00 3io7 s SER 936 Cb 0.00 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.53 3io7 s SER 936 CO 0.00 -0.38 2.01 0.25 1.20 0.00 0.00 173.24 176.32 3io7 h LEU 937 N 5.08 0.41 -0.66 3.45 5.85 -1.20 -0.84 115.31 127.39 3io7 h LEU 937 Ca -0.45 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3io7 h LEU 937 Cb 1.21 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3io7 h LEU 937 CO 0.74 0.36 0.42 -0.09 -0.34 0.00 0.00 178.44 179.53 3io7 h ARG 938 N 0.46 0.80 0.19 1.25 2.43 -1.80 -0.48 114.38 117.23 3io7 h ARG 938 Ca 0.12 -0.05 -0.31 0.00 -0.81 0.00 0.00 59.98 58.93 3io7 h ARG 938 Cb 0.07 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3io7 h ARG 938 CO -0.01 0.53 -1.36 -0.44 -1.51 0.00 0.00 179.97 177.18 3io7 h ASP 939 N 0.82 0.67 -0.82 -3.80 3.32 -1.74 -3.08 116.42 111.80 3io7 h ASP 939 Ca 0.26 -0.71 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3io7 h ASP 939 Cb -0.00 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3io7 h ASP 939 CO -0.10 1.55 0.48 0.22 -1.72 0.00 0.00 179.24 179.68 3io7 h TYR 940 N 0.13 1.09 -0.46 4.55 3.20 -0.97 0.76 116.97 125.27 3io7 h TYR 940 Ca -0.20 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.55 3io7 h TYR 940 Cb 2.06 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.96 3io7 h TYR 940 CO 0.10 0.74 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.14 3io7 h LEU 941 N 1.13 0.87 -0.54 2.82 3.38 -1.19 -1.99 115.31 119.79 3io7 h LEU 941 Ca 0.29 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3io7 h LEU 941 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3io7 h LEU 941 CO -0.05 1.01 -0.02 1.56 0.09 0.00 0.00 178.44 181.03 3io7 h GLN 942 N 0.77 0.97 0.26 1.13 4.20 -1.39 -2.06 115.11 118.99 3io7 h GLN 942 Ca 0.12 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3io7 h GLN 942 Cb 0.67 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3io7 h GLN 942 CO 0.05 0.99 -0.13 0.87 -0.67 0.00 0.00 178.83 179.94 3io7 h LYS 943 N 0.85 -0.34 -1.13 1.46 1.57 -0.79 -3.20 116.57 114.99 3io7 h LYS 943 Ca 0.15 0.02 -0.47 0.00 -1.87 0.00 0.00 60.65 58.48 3io7 h LYS 943 Cb 0.57 0.08 -0.23 0.00 0.08 0.00 0.00 32.23 32.72 3io7 h LYS 943 CO 0.03 -0.04 0.60 0.72 -0.57 0.00 0.00 179.45 180.19 3io7 n HIS 944 N -5.12 2.44 0.00 -1.35 8.25 -0.75 -4.93 115.22 113.76 3io7 n HIS 944 Ca -0.09 -2.12 0.00 0.00 -0.26 0.00 0.00 57.72 55.25 3io7 n HIS 944 Cb 0.24 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.31 3io7 n HIS 944 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3io7 n LYS 945 N -0.54 0.00 0.00 -0.41 4.76 -0.78 -1.84 118.16 119.36 3io7 n LYS 945 Ca 0.47 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 56.03 3io7 n LYS 945 Cb 0.97 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 34.21 3io7 n LYS 945 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3io7 n GLU 946 N 0.00 0.32 0.06 1.97 1.02 -1.26 -3.93 120.64 118.81 3io7 n GLU 946 Ca 0.00 -0.24 0.21 0.00 -0.02 0.00 0.00 57.16 57.11 3io7 n GLU 946 Cb 0.00 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 30.66 3io7 n GLU 946 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3io7 h ARG 947 N 0.58 0.00 -5.51 3.49 2.43 -1.76 -3.35 114.38 110.26 3io7 h ARG 947 Ca 0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.52 3io7 h ARG 947 Cb 0.55 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.95 3io7 h ARG 947 CO 0.00 0.00 0.18 0.42 -1.51 0.00 0.00 179.97 179.06 3io7 s ILE 948 N -4.65 4.79 0.80 1.20 1.01 -1.08 -5.07 121.20 118.21 3io7 s ILE 948 Ca -0.04 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 3io7 s ILE 948 Cb 0.16 -4.23 0.14 0.00 0.01 0.00 0.00 42.46 38.54 3io7 s ILE 948 CO 0.57 -0.61 1.11 1.51 0.00 0.00 0.00 174.94 177.52 3io7 s ASP 949 N 2.02 3.98 0.32 3.58 3.84 -1.26 -4.87 116.67 124.28 3io7 s ASP 949 Ca 0.25 -0.01 0.01 0.00 -0.00 0.00 0.00 52.55 52.79 3io7 s ASP 949 Cb -0.14 -0.29 0.54 0.00 -1.38 0.00 0.00 42.92 41.65 3io7 s ASP 949 CO 0.20 -2.13 1.93 0.45 -0.00 0.00 0.00 175.17 175.61 3io7 h HIS 950 N -0.94 0.80 -0.08 2.11 3.86 -1.97 -2.02 115.15 116.92 3io7 h HIS 950 Ca -0.40 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 58.69 3io7 h HIS 950 Cb 1.26 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 3io7 h HIS 950 CO -0.46 0.59 -0.37 0.82 0.86 0.00 0.00 177.93 179.37 3io7 h ILE 951 N 0.81 1.28 -0.12 2.45 2.04 -1.98 -1.89 117.51 120.10 3io7 h ILE 951 Ca 0.20 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3io7 h ILE 951 Cb 0.09 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3io7 h ILE 951 CO -0.03 0.41 -0.18 0.50 0.00 0.00 0.00 178.15 178.85 3io7 h LYS 952 N 0.15 0.34 -0.09 2.37 1.63 -1.76 -2.14 116.57 117.06 3io7 h LYS 952 Ca 0.02 -0.20 0.03 0.00 -0.85 0.00 0.00 60.65 59.64 3io7 h LYS 952 Cb 0.72 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3io7 h LYS 952 CO 0.05 0.78 0.07 -0.07 -3.45 0.00 0.00 179.45 176.83 3io7 h LEU 953 N -0.07 0.00 -0.05 5.20 3.38 -1.34 -1.58 115.31 120.85 3io7 h LEU 953 Ca 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 3io7 h LEU 953 Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3io7 h LEU 953 CO 0.04 0.00 -0.93 -0.07 0.09 0.00 0.00 178.44 177.57 3io7 h LEU 954 N 0.00 0.00 -0.38 1.67 3.38 -1.27 -0.93 115.31 117.78 3io7 h LEU 954 Ca 0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3io7 h LEU 954 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3io7 h LEU 954 CO -0.00 0.93 0.19 -0.61 0.09 0.00 0.00 178.44 179.04 3io7 h GLN 955 N 0.00 0.38 -0.43 1.13 4.15 -0.62 -0.98 115.11 118.73 3io7 h GLN 955 Ca -0.01 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 3io7 h GLN 955 Cb 1.69 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.28 3io7 h GLN 955 CO 0.12 0.25 0.07 1.88 -1.93 0.00 0.00 178.83 179.22 3io7 h TYR 956 N 0.39 0.76 -0.10 3.99 0.05 -1.30 -2.41 116.97 118.34 3io7 h TYR 956 Ca 0.16 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 58.87 3io7 h TYR 956 Cb 0.07 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 3io7 h TYR 956 CO -0.10 0.73 -0.14 1.15 -1.05 0.00 0.00 178.16 178.75 3io7 h THR 957 N 0.58 0.62 -0.56 -2.88 2.02 -1.00 -1.34 112.91 110.34 3io7 h THR 957 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 3io7 h THR 957 Cb 0.37 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3io7 h THR 957 CO 0.01 0.00 0.27 -1.28 0.37 0.00 0.00 175.52 174.89 3io7 h SER 958 N -0.19 0.37 -0.24 4.18 0.87 -1.07 -0.94 113.55 116.53 3io7 h SER 958 Ca 0.08 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3io7 h SER 958 Cb 0.30 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3io7 h SER 958 CO -0.21 0.25 -0.01 1.56 -0.53 0.00 0.00 176.83 177.88 3io7 h GLN 959 N 0.51 0.42 -0.34 2.24 4.20 -1.21 -0.77 115.11 120.17 3io7 h GLN 959 Ca 0.26 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.87 3io7 h GLN 959 Cb 0.20 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 3io7 h GLN 959 CO -0.20 0.62 0.09 0.82 -0.67 0.00 0.00 178.83 179.48 3io7 h ILE 960 N 0.19 0.86 -0.40 2.54 2.04 -1.01 -2.10 117.51 119.63 3io7 h ILE 960 Ca 0.07 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3io7 h ILE 960 Cb 0.43 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3io7 h ILE 960 CO 0.01 0.04 0.09 0.00 0.00 0.00 0.00 178.15 178.29 3io7 h LYS 962 N 0.22 1.15 -0.32 0.00 1.57 -0.91 -0.53 116.57 117.75 3io7 h LYS 962 Ca 0.19 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3io7 h LYS 962 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3io7 h LYS 962 CO -0.25 0.90 0.05 0.78 -0.57 0.00 0.00 179.45 180.36 3io7 h GLY 963 N 1.17 0.51 1.00 3.86 0.00 -0.87 -1.73 103.07 107.01 3io7 h GLY 963 Ca 0.27 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 47.11 3io7 h GLY 963 CO -0.03 0.25 -0.95 -0.33 0.00 0.00 0.00 176.54 175.47 3io7 h MET 964 N 0.47 0.52 0.03 4.80 2.86 -0.85 -2.01 114.93 120.75 3io7 h MET 964 Ca 0.11 -0.65 0.02 0.00 -2.06 0.00 0.00 59.70 57.11 3io7 h MET 964 Cb 0.22 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3io7 h MET 964 CO 0.00 1.27 -0.13 1.49 1.06 0.00 0.00 176.91 180.60 3io7 h GLU 965 N 0.07 -0.22 -0.52 1.72 4.22 -1.00 -1.01 114.58 117.84 3io7 h GLU 965 Ca -0.14 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.35 3io7 h GLU 965 Cb 1.66 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 3io7 h GLU 965 CO 0.18 -0.15 0.30 -0.92 -2.18 0.00 0.00 179.01 176.25 3io7 h TYR 966 N -0.23 0.56 -0.19 0.92 3.20 -1.40 -1.43 116.97 118.40 3io7 h TYR 966 Ca 0.03 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3io7 h TYR 966 Cb 0.27 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3io7 h TYR 966 CO -0.17 0.31 0.18 1.25 -1.64 0.00 0.00 178.16 178.09 3io7 h LEU 967 N 0.59 0.00 -0.47 2.82 5.85 -1.06 -2.13 115.31 120.92 3io7 h LEU 967 Ca 0.22 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 3io7 h LEU 967 Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3io7 h LEU 967 CO -0.11 0.00 -0.59 1.23 -0.34 0.00 0.00 178.44 178.63 3io7 h GLY 968 N 0.00 0.00 2.00 3.75 0.00 -0.06 -2.95 103.07 105.81 3io7 h GLY 968 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3io7 h GLY 968 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3io7 n THR 969 N -3.47 0.98 0.00 4.70 -2.24 -0.80 -1.32 114.28 112.13 3io7 n THR 969 Ca 0.00 0.29 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 3io7 n THR 969 Cb 0.68 -1.16 0.15 0.00 -2.10 0.00 0.00 70.33 67.90 3io7 n THR 969 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3io7 n LYS 970 N -1.91 2.29 -3.50 -0.78 5.02 -1.21 -4.98 118.16 113.09 3io7 n LYS 970 Ca 0.02 -1.92 -0.22 0.00 -2.02 0.00 0.00 58.31 54.18 3io7 n LYS 970 Cb 0.18 -1.30 0.08 0.00 -0.02 0.00 0.00 35.03 33.96 3io7 n LYS 970 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3io7 n ARG 971 N 0.72 -7.32 -3.86 1.97 1.74 -0.44 -4.86 116.66 104.61 3io7 n ARG 971 Ca 0.12 0.78 -0.28 0.00 -0.77 0.00 0.00 57.85 57.69 3io7 n ARG 971 Cb 0.42 -5.66 -0.03 0.00 -1.02 0.00 0.00 32.46 26.17 3io7 n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3io7 s TYR 972 N -3.30 3.49 -0.21 -1.55 2.02 -1.12 -0.63 117.35 116.05 3io7 s TYR 972 Ca 0.49 0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.43 3io7 s TYR 972 Cb -0.22 -1.77 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 3io7 s TYR 972 CO 0.68 0.50 -0.01 0.42 -1.57 0.00 0.00 175.55 175.57 3io7 s ILE 973 N -1.69 1.02 0.19 2.71 -1.09 -0.01 -4.49 121.20 117.84 3io7 s ILE 973 Ca 0.36 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 3io7 s ILE 973 Cb -0.12 -1.41 0.10 0.00 -1.58 0.00 0.00 42.46 39.45 3io7 s ILE 973 CO 0.28 -0.15 1.76 -0.74 -1.23 0.00 0.00 174.94 174.87 3io7 h HIS 974 N 8.10 0.41 0.00 3.97 2.76 -1.90 -2.09 115.15 126.40 3io7 h HIS 974 Ca -0.17 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 3io7 h HIS 974 Cb 1.10 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.95 3io7 h HIS 974 CO 0.39 0.16 0.00 0.54 -1.30 0.00 0.00 177.93 177.73 3io7 n ARG 975 N -4.94 -1.50 -1.01 5.26 1.74 -1.26 -3.04 116.66 111.92 3io7 n ARG 975 Ca 0.06 0.37 -0.04 0.00 -0.77 0.00 0.00 57.85 57.47 3io7 n ARG 975 Cb 0.19 -4.62 -0.05 0.00 -1.02 0.00 0.00 32.46 26.96 3io7 n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3io7 n ASP 976 N -0.75 -0.56 -4.67 0.55 2.03 -1.26 -4.91 116.55 106.99 3io7 n ASP 976 Ca 0.00 -1.88 -0.42 0.00 0.52 0.00 0.00 54.79 53.00 3io7 n ASP 976 Cb 0.37 0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 3io7 n ASP 976 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3io7 s LEU 977 N 0.00 4.28 -0.24 -2.67 2.96 -1.26 -4.83 118.68 116.91 3io7 s LEU 977 Ca 0.05 2.03 -0.27 0.00 -0.22 0.00 0.00 54.13 55.72 3io7 s LEU 977 Cb 0.06 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.34 3io7 s LEU 977 CO -0.03 -0.81 1.09 0.00 -1.32 0.00 0.00 176.35 175.28 3io7 s ALA 978 N 3.38 -2.00 0.37 5.97 0.00 -1.26 -4.76 121.76 123.45 3io7 s ALA 978 Ca 0.65 1.76 0.38 0.00 0.00 0.00 0.00 51.96 54.74 3io7 s ALA 978 Cb -0.29 -1.25 1.98 0.00 0.00 0.00 0.00 23.12 23.56 3io7 s ALA 978 CO 0.24 -0.24 2.15 1.79 0.00 0.00 0.00 175.76 179.70 3io7 h THR 979 N 3.12 0.00 -0.01 0.00 1.35 -1.92 0.11 112.91 115.57 3io7 h THR 979 Ca -0.24 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3io7 h THR 979 Cb 1.17 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3io7 h THR 979 CO 0.19 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.35 3io7 n ARG 980 N -2.88 1.02 -0.03 4.72 1.85 -1.26 -2.50 116.66 117.58 3io7 n ARG 980 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 57.85 56.82 3io7 n ARG 980 Cb 0.10 -1.21 0.03 0.00 -1.05 0.00 0.00 32.46 30.34 3io7 n ARG 980 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3io7 n ASN 981 N -0.68 1.78 -4.77 2.89 3.02 0.39 -4.97 115.26 112.91 3io7 n ASN 981 Ca 0.10 -1.52 -0.36 0.00 -0.03 0.00 0.00 54.58 52.77 3io7 n ASN 981 Cb 0.05 -0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 3io7 n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3io7 s ILE 982 N -0.63 5.00 0.27 2.41 -1.09 -1.04 -0.34 121.20 125.78 3io7 s ILE 982 Ca 0.07 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.60 3io7 s ILE 982 Cb 0.04 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3io7 s ILE 982 CO 0.06 0.58 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.44 3io7 s LEU 983 N -0.69 2.58 -0.19 2.97 1.43 0.38 -1.02 118.68 124.15 3io7 s LEU 983 Ca 0.12 -1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.13 3io7 s LEU 983 Cb -0.12 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 3io7 s LEU 983 CO 0.02 -0.12 -0.10 -0.69 0.23 0.00 0.00 176.35 175.69 3io7 s VAL 984 N -2.75 2.99 -0.12 -1.59 1.01 0.52 -0.31 120.40 120.15 3io7 s VAL 984 Ca 0.28 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 3io7 s VAL 984 Cb -0.01 -2.31 -0.26 0.00 0.00 0.00 0.00 36.38 33.80 3io7 s VAL 984 CO 0.12 0.48 0.49 -0.08 0.00 0.00 0.00 175.10 176.11 3io7 h GLU 985 N 7.68 0.21 -2.82 2.72 4.81 -1.20 -1.51 114.58 124.47 3io7 h GLU 985 Ca -0.38 -0.35 0.07 0.00 -0.13 0.00 0.00 59.36 58.56 3io7 h GLU 985 Cb 1.17 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 3io7 h GLU 985 CO 0.60 1.17 0.35 0.54 -0.73 0.00 0.00 179.01 180.93 3io7 s ASN 986 N -6.99 -0.09 0.42 1.04 2.20 -1.17 -4.33 114.94 106.02 3io7 s ASN 986 Ca -0.21 -0.82 0.27 0.00 -0.94 0.00 0.00 52.86 51.16 3io7 s ASN 986 Cb 0.05 0.71 1.37 0.00 -2.00 0.00 0.00 41.25 41.38 3io7 s ASN 986 CO 0.74 -1.37 1.63 -0.33 -2.94 0.00 0.00 177.10 174.83 3io7 h GLU 987 N 2.00 0.11 -0.57 3.55 5.08 -2.02 -1.71 114.58 121.02 3io7 h GLU 987 Ca -0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3io7 h GLU 987 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3io7 h GLU 987 CO 0.33 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 3io7 n ASN 988 N -4.75 3.67 -3.51 1.42 3.02 -1.26 -4.96 115.26 108.89 3io7 n ASN 988 Ca 0.36 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.91 3io7 n ASN 988 Cb 1.35 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 40.10 3io7 n ASN 988 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3io7 s ARG 989 N -1.24 0.53 0.28 3.52 6.06 -0.64 -5.00 118.95 122.46 3io7 s ARG 989 Ca 0.44 1.25 0.10 0.00 -2.50 0.00 0.00 55.73 55.02 3io7 s ARG 989 Cb 0.24 0.66 -0.05 0.00 0.06 0.00 0.00 34.95 35.86 3io7 s ARG 989 CO 0.32 -0.33 -0.08 0.14 -2.50 0.00 0.00 175.30 172.85 3io7 s VAL 990 N 2.83 2.94 -0.00 7.11 -7.23 -1.26 -0.65 120.40 124.14 3io7 s VAL 990 Ca 0.02 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 3io7 s VAL 990 Cb -0.13 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 3io7 s VAL 990 CO -0.18 -0.36 0.07 -0.54 -0.31 0.00 0.00 175.10 173.78 3io7 s LYS 991 N -3.62 0.32 -0.03 4.82 1.02 0.58 -4.60 119.74 118.23 3io7 s LYS 991 Ca 0.31 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 3io7 s LYS 991 Cb -0.05 0.13 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 3io7 s LYS 991 CO 0.18 -0.06 1.56 0.42 -0.92 0.00 0.00 175.35 176.53 3io7 s ILE 992 N -0.98 3.58 -1.07 2.17 1.01 0.47 -0.47 121.20 125.91 3io7 s ILE 992 Ca -0.11 0.83 0.09 0.00 0.00 0.00 0.00 60.65 61.46 3io7 s ILE 992 Cb -0.06 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.93 3io7 s ILE 992 CO 0.00 -0.05 0.74 0.61 0.00 0.00 0.00 174.94 176.25 3io7 n GLY 993 N 3.95 -0.42 3.14 6.18 0.00 0.54 -1.74 105.19 116.85 3io7 n GLY 993 Ca 0.16 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3io7 n GLY 993 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3io7 s ASP 994 N -0.92 -0.03 0.00 1.61 2.15 -1.23 -4.94 116.67 113.32 3io7 s ASP 994 Ca 0.10 -0.13 0.17 0.00 0.43 0.00 0.00 52.55 53.12 3io7 s ASP 994 Cb 0.08 0.23 0.28 0.00 -0.30 0.00 0.00 42.92 43.22 3io7 s ASP 994 CO 0.15 -0.38 1.11 0.49 -0.17 0.00 0.00 175.17 176.36 3io7 n PHE 995 N 1.43 0.00 0.31 -5.34 3.72 -1.26 -4.92 117.46 111.40 3io7 n PHE 995 Ca -0.22 -0.34 0.19 0.00 -0.05 0.00 0.00 57.45 57.02 3io7 n PHE 995 Cb 0.56 -0.10 1.05 0.00 -0.94 0.00 0.00 39.48 40.05 3io7 n PHE 995 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3io7 h GLY 996 N 0.66 0.00 -0.40 1.37 0.00 -1.95 -2.26 103.07 100.49 3io7 h GLY 996 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3io7 h GLY 996 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.64 3io7 n LEU 997 N -3.47 1.56 -4.74 3.11 4.77 -1.26 -5.02 117.00 111.95 3io7 n LEU 997 Ca -0.03 -1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 54.36 3io7 n LEU 997 Cb 0.10 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3io7 n LEU 997 CO 0.24 0.35 1.12 0.41 -1.33 0.00 0.00 177.39 178.18 3io7 n THR 998 N 0.20 1.56 -4.39 -5.08 -1.04 -0.85 -4.67 114.28 100.01 3io7 n THR 998 Ca 0.03 -0.39 -0.24 0.00 -2.04 0.00 0.00 64.05 61.42 3io7 n THR 998 Cb 0.15 -1.86 -0.11 0.00 -1.82 0.00 0.00 70.33 66.70 3io7 n THR 998 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3io7 s LYS 999 N -1.35 1.45 -0.15 -2.82 -0.14 -0.78 -4.95 119.74 111.00 3io7 s LYS 999 Ca 0.59 -1.54 -0.08 0.00 -1.36 0.00 0.00 55.97 53.58 3io7 s LYS 999 Cb -0.51 -1.57 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 3io7 s LYS 999 CO 0.57 0.32 0.12 0.08 -0.76 0.00 0.00 175.35 175.68 3io7 s VAL 1000N -2.12 5.36 0.37 3.17 1.01 -1.26 -0.83 120.40 126.09 3io7 s VAL 1000Ca 0.21 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 3io7 s VAL 1000Cb -0.06 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 3io7 s VAL 1000CO 0.10 0.55 1.51 -0.76 0.00 0.00 0.00 175.10 176.49 3io7 s LEU 1001N -0.46 4.32 0.68 3.92 1.43 0.20 -4.98 118.68 123.79 3io7 s LEU 1001Ca 0.12 3.06 -0.13 0.00 -1.03 0.00 0.00 54.13 56.15 3io7 s LEU 1001Cb -0.12 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.44 3io7 s LEU 1001CO 0.02 -0.90 1.07 -2.16 0.23 0.00 0.00 176.35 174.61 3io7 s PRO 1002N -1.94 2.86 0.27 1.29 0.04 -1.26 -4.95 135.00 131.31 3io7 s PRO 1002Ca 0.54 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3io7 s PRO 1002Cb -0.47 -1.97 0.62 0.00 0.04 0.00 0.00 34.50 32.71 3io7 s PRO 1002CO 0.62 -1.17 1.69 0.37 0.04 0.00 0.00 177.00 178.55 3io7 h GLN 1003N -0.41 0.35 -0.00 4.56 4.15 -2.02 -3.07 115.11 118.66 3io7 h GLN 1003Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3io7 h GLN 1003Cb 1.22 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3io7 h GLN 1003CO 0.55 0.23 -0.45 -0.40 -1.93 0.00 0.00 178.83 176.83 3io7 n ASP 1004N -5.09 0.92 -4.72 -0.69 3.85 -1.26 -4.99 116.55 104.57 3io7 n ASP 1004Ca 0.19 -0.96 -0.23 0.00 -0.71 0.00 0.00 54.79 53.08 3io7 n ASP 1004Cb 0.57 0.78 -0.06 0.00 -1.35 0.00 0.00 41.12 41.06 3io7 n ASP 1004CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3io7 s LYS 1005N -1.94 2.55 -0.25 0.11 1.02 -1.16 -5.29 119.74 114.78 3io7 s LYS 1005Ca 0.07 -1.25 0.13 0.00 0.02 0.00 0.00 55.97 54.94 3io7 s LYS 1005Cb 0.10 -2.33 0.67 0.00 -0.52 0.00 0.00 37.83 35.74 3io7 s LYS 1005CO 0.43 0.39 1.63 0.39 -0.92 0.00 0.00 175.35 177.26 3io7 n GLU 1006N -0.94 3.52 -3.67 1.68 -0.58 -1.26 -4.47 120.64 114.93 3io7 n GLU 1006Ca -0.07 -3.03 -0.10 0.00 -0.42 0.00 0.00 57.16 53.53 3io7 n GLU 1006Cb 0.58 -2.06 -0.11 0.00 -0.57 0.00 0.00 31.44 29.28 3io7 n GLU 1006CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3io7 s LYS 1009N -2.92 0.29 -0.51 3.49 2.47 -1.26 -4.51 119.74 116.79 3io7 s LYS 1009Ca 0.50 0.89 -0.18 0.00 -1.56 0.00 0.00 55.97 55.62 3io7 s LYS 1009Cb 0.40 0.15 0.07 0.00 -1.46 0.00 0.00 37.83 36.99 3io7 s LYS 1009CO 0.11 -0.23 0.57 0.08 0.16 0.00 0.00 175.35 176.03 3io7 s VAL 1010N 2.24 4.99 0.09 4.02 1.01 -0.90 -4.96 120.40 126.89 3io7 s VAL 1010Ca -0.03 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3io7 s VAL 1010Cb -0.11 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 3io7 s VAL 1010CO -0.12 -0.80 1.38 0.50 0.00 0.00 0.00 175.10 176.07 3io7 h LYS 1011N 8.95 0.70 -3.18 2.72 3.64 -1.96 -3.39 116.57 124.06 3io7 h LYS 1011Ca -0.28 -0.42 -0.60 0.00 -1.27 0.00 0.00 60.65 58.08 3io7 h LYS 1011Cb 1.10 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.56 3io7 h LYS 1011CO 0.97 1.04 -0.76 -1.21 -2.27 0.00 0.00 179.45 177.22 3io7 s GLU 1012N -4.19 1.00 0.39 1.90 2.02 -1.26 -5.12 118.70 113.43 3io7 s GLU 1012Ca -0.12 -1.59 -0.26 0.00 0.02 0.00 0.00 54.97 53.03 3io7 s GLU 1012Cb 0.08 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 32.12 3io7 s GLU 1012CO 0.84 -1.10 1.19 -2.14 0.02 0.00 0.00 175.26 174.07 3io7 s PRO 1013N 0.91 4.09 0.00 0.39 0.02 -1.26 -5.05 135.00 134.10 3io7 s PRO 1013Ca 0.15 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3io7 s PRO 1013Cb -0.22 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3io7 s PRO 1013CO -0.09 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3io7 n GLY 1014N 0.68 0.79 3.76 0.52 0.00 -1.26 -5.00 105.19 104.68 3io7 n GLY 1014Ca 0.04 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3io7 n GLY 1014CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3io7 s GLU 1015N 2.57 4.33 -0.20 1.61 2.12 -1.26 -5.01 118.70 122.87 3io7 s GLU 1015Ca 0.00 2.24 -0.02 0.00 0.36 0.00 0.00 54.97 57.54 3io7 s GLU 1015Cb 0.00 -3.09 0.06 0.00 0.26 0.00 0.00 34.13 31.36 3io7 s GLU 1015CO 0.00 -0.27 0.02 -1.12 -0.54 0.00 0.00 175.26 173.35 3io7 s SER 1016N -0.16 2.99 -1.03 -1.70 0.01 -1.26 -5.04 113.70 107.51 3io7 s SER 1016Ca 0.53 -0.84 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 3io7 s SER 1016Cb -0.40 -0.67 -0.08 0.00 0.21 0.00 0.00 66.02 65.07 3io7 s SER 1016CO 0.49 -0.29 2.03 -0.81 0.41 0.00 0.00 173.24 175.07 3io7 n PRO 1017N 5.00 2.00 0.16 12.44 -0.04 -1.26 -4.74 135.00 148.57 3io7 n PRO 1017Ca -0.09 -2.14 0.06 0.00 -0.04 0.00 0.00 63.50 61.29 3io7 n PRO 1017Cb 0.47 -3.07 0.53 0.00 -0.04 0.00 0.00 33.50 31.39 3io7 n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3io7 h ILE 1018N 4.34 1.07 0.00 0.52 3.07 -1.96 -1.14 117.51 123.41 3io7 h ILE 1018Ca 0.47 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.64 3io7 h ILE 1018Cb 0.66 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3io7 h ILE 1018CO 1.92 0.08 0.00 0.49 -1.05 0.00 0.00 178.15 179.60 3io7 n PHE 1019N -4.46 0.06 0.78 0.16 3.01 -1.26 -1.07 117.46 114.69 3io7 n PHE 1019Ca -0.01 0.03 0.09 0.00 1.01 0.00 0.00 57.45 58.57 3io7 n PHE 1019Cb 0.13 -0.54 0.07 0.00 -0.01 0.00 0.00 39.48 39.12 3io7 n PHE 1019CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3io7 n TRP 1020N -1.56 0.00 -3.02 1.38 8.01 -0.44 -4.86 117.44 116.95 3io7 n TRP 1020Ca 0.02 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.82 3io7 n TRP 1020Cb 0.13 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.37 3io7 n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3io7 s TYR 1021N -1.62 3.83 0.67 -5.99 1.51 -0.23 -4.12 117.35 111.39 3io7 s TYR 1021Ca 0.21 1.52 -0.15 0.00 -1.01 0.00 0.00 57.07 57.64 3io7 s TYR 1021Cb 0.16 -2.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.26 3io7 s TYR 1021CO 0.26 0.43 1.14 0.00 -1.11 0.00 0.00 175.55 176.27 3io7 s ALA 1022N -0.72 2.38 0.17 3.71 0.00 -1.26 -4.88 121.76 121.16 3io7 s ALA 1022Ca 0.36 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3io7 s ALA 1022Cb -0.22 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.65 3io7 s ALA 1022CO 0.24 -1.42 1.70 -1.35 0.00 0.00 0.00 175.76 174.93 3io7 h PRO 1023N 0.03 0.12 0.00 0.00 0.11 -1.94 -1.53 132.00 128.79 3io7 h PRO 1023Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3io7 h PRO 1023Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3io7 h PRO 1023CO 0.53 0.08 -0.02 1.05 -0.21 0.00 0.00 178.00 179.43 3io7 h GLU 1024N 0.13 0.00 -0.26 1.05 9.09 -1.92 1.00 114.58 123.67 3io7 h GLU 1024Ca 0.20 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.49 3io7 h GLU 1024Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 3io7 h GLU 1024CO -0.31 0.02 -0.33 0.77 0.05 0.00 0.00 179.01 179.21 3io7 h SER 1025N 0.00 0.57 -0.05 3.06 0.02 -1.35 -1.26 113.55 114.53 3io7 h SER 1025Ca -0.00 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 3io7 h SER 1025Cb 0.04 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.44 3io7 h SER 1025CO 0.00 0.86 -0.54 -0.07 -1.14 0.00 0.00 176.83 175.95 3io7 h LEU 1026N 0.47 0.56 0.01 5.07 3.38 -0.37 -0.07 115.31 124.36 3io7 h LEU 1026Ca 0.05 -0.70 -0.22 0.00 0.09 0.00 0.00 57.88 57.11 3io7 h LEU 1026Cb 0.80 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3io7 h LEU 1026CO 0.07 1.18 -1.03 0.71 0.09 0.00 0.00 178.44 179.45 3io7 h THR 1027N -0.00 1.69 0.00 0.22 1.35 -1.20 -3.41 112.91 111.56 3io7 h THR 1027Ca -0.05 -3.38 0.00 0.00 -0.55 0.00 0.00 66.41 62.43 3io7 h THR 1027Cb 1.21 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 3io7 h THR 1027CO 0.11 0.97 0.00 -0.62 -0.25 0.00 0.00 175.52 175.73 3io7 n GLU 1028N -3.38 2.24 -1.73 4.72 1.02 -0.49 -5.03 120.64 117.99 3io7 n GLU 1028Ca -0.01 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 3io7 n GLU 1028Cb 0.95 -0.20 -0.03 0.00 -0.02 0.00 0.00 31.44 32.13 3io7 n GLU 1028CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3io7 n SER 1029N -0.32 -4.26 -4.65 1.62 7.64 -0.04 -4.79 113.62 108.82 3io7 n SER 1029Ca 0.00 0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 3io7 n SER 1029Cb 0.01 -3.11 -0.04 0.00 -1.01 0.00 0.00 64.21 60.06 3io7 n SER 1029CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3io7 s LYS 1030N -3.72 4.22 -0.09 1.43 1.02 -1.20 -2.13 119.74 119.27 3io7 s LYS 1030Ca 0.00 1.05 0.04 0.00 0.02 0.00 0.00 55.97 57.09 3io7 s LYS 1030Cb 0.00 -3.63 -0.00 0.00 -0.52 0.00 0.00 37.83 33.68 3io7 s LYS 1030CO 0.00 -0.52 -0.24 -0.06 -0.92 0.00 0.00 175.35 173.62 3io7 s PHE 1031N 2.82 2.49 0.24 3.18 0.40 -1.26 -3.59 117.98 122.26 3io7 s PHE 1031Ca 0.37 -0.97 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 3io7 s PHE 1031Cb -0.15 -1.66 -0.00 0.00 0.51 0.00 0.00 43.02 41.71 3io7 s PHE 1031CO 0.08 -0.38 0.46 -1.54 0.70 0.00 0.00 175.22 174.54 3io7 s SER 1032N 0.25 -0.09 0.29 1.36 1.04 -1.26 -4.79 113.70 110.50 3io7 s SER 1032Ca -0.16 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 55.40 3io7 s SER 1032Cb -0.17 0.57 0.69 0.00 0.10 0.00 0.00 66.02 67.21 3io7 s SER 1032CO 0.08 -1.11 1.72 0.58 0.98 0.00 0.00 173.24 175.49 3io7 h VAL 1033N 2.28 0.56 -0.05 5.02 2.07 -1.90 -0.19 116.25 124.03 3io7 h VAL 1033Ca -0.27 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3io7 h VAL 1033Cb 1.25 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3io7 h VAL 1033CO 0.37 0.09 -0.07 0.00 0.02 0.00 0.00 177.57 177.98 3io7 h ALA 1034N 1.67 1.80 0.00 1.67 0.00 -1.93 -0.82 119.26 121.65 3io7 h ALA 1034Ca 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3io7 h ALA 1034Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3io7 h ALA 1034CO -0.47 0.15 -0.50 0.66 0.00 0.00 0.00 179.25 179.09 3io7 h SER 1035N 0.07 0.00 -0.31 0.00 4.64 -1.43 -2.50 113.55 114.02 3io7 h SER 1035Ca 0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 3io7 h SER 1035Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3io7 h SER 1035CO 0.01 0.14 -0.30 0.44 -0.87 0.00 0.00 176.83 176.25 3io7 h ASP 1036N 0.00 0.86 -0.22 4.97 3.32 -0.74 -2.85 116.42 121.76 3io7 h ASP 1036Ca -0.02 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.69 3io7 h ASP 1036Cb 1.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3io7 h ASP 1036CO 0.02 1.09 0.12 0.58 -1.72 0.00 0.00 179.24 179.33 3io7 h VAL 1037N 0.70 1.01 -0.55 -1.35 2.07 -0.94 -0.11 116.25 117.08 3io7 h VAL 1037Ca 0.08 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.62 3io7 h VAL 1037Cb 0.85 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 3io7 h VAL 1037CO 0.07 0.05 -0.06 -0.25 0.02 0.00 0.00 177.57 177.40 3io7 h TRP 1038N 0.25 -0.14 -0.72 1.57 2.91 -1.49 -1.27 115.95 117.05 3io7 h TRP 1038Ca 0.09 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 3io7 h TRP 1038Cb 0.01 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.77 3io7 h TRP 1038CO -0.08 -0.18 0.42 0.77 -1.03 0.00 0.00 178.44 178.33 3io7 h SER 1039N 0.06 0.87 -0.73 2.65 0.02 -1.20 -1.62 113.55 113.61 3io7 h SER 1039Ca 0.28 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3io7 h SER 1039Cb 0.43 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3io7 h SER 1039CO -0.51 0.69 0.44 0.15 -1.14 0.00 0.00 176.83 176.46 3io7 h PHE 1040N 1.00 0.96 -0.57 3.45 3.57 0.07 -0.89 116.94 124.52 3io7 h PHE 1040Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3io7 h PHE 1040Cb -0.01 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 3io7 h PHE 1040CO 0.01 0.64 0.32 0.78 -2.23 0.00 0.00 178.31 177.82 3io7 h GLY 1041N 1.03 0.84 1.57 2.40 0.00 -0.35 0.17 103.07 108.74 3io7 h GLY 1041Ca 0.26 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 3io7 h GLY 1041CO -0.05 0.36 0.06 -2.08 0.00 0.00 0.00 176.54 174.83 3io7 h VAL 1042N 0.77 1.18 -0.38 4.60 2.07 -1.12 -1.39 116.25 121.98 3io7 h VAL 1042Ca 0.20 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3io7 h VAL 1042Cb 0.03 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3io7 h VAL 1042CO -0.03 0.24 -0.06 0.58 0.02 0.00 0.00 177.57 178.31 3io7 h VAL 1043N 0.53 1.27 -0.80 2.57 2.07 -0.47 -1.09 116.25 120.32 3io7 h VAL 1043Ca 0.12 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3io7 h VAL 1043Cb 0.25 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3io7 h VAL 1043CO 0.00 0.37 0.53 0.25 0.02 0.00 0.00 177.57 178.74 3io7 h LEU 1044N 0.52 0.85 -0.20 2.57 5.85 -0.68 -0.18 115.31 124.05 3io7 h LEU 1044Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3io7 h LEU 1044Cb 0.57 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3io7 h LEU 1044CO 0.03 0.58 0.11 0.22 -0.34 0.00 0.00 178.44 179.04 3io7 h TYR 1045N 0.99 0.28 -0.47 1.25 3.20 -0.98 -2.68 116.97 118.56 3io7 h TYR 1045Ca 0.32 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.24 3io7 h TYR 1045Cb 0.05 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 3io7 h TYR 1045CO -0.00 0.26 0.19 0.93 -1.64 0.00 0.00 178.16 177.90 3io7 h GLU 1046N 0.21 0.37 -0.06 1.82 5.08 -0.37 -2.25 114.58 119.38 3io7 h GLU 1046Ca 0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3io7 h GLU 1046Cb 0.07 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3io7 h GLU 1046CO -0.01 0.25 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.03 3io7 h LEU 1047N 0.38 -0.45 -0.01 1.33 3.38 -0.91 -2.69 115.31 116.35 3io7 h LEU 1047Ca 0.22 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3io7 h LEU 1047Cb 0.19 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3io7 h LEU 1047CO -0.20 -0.20 0.00 0.49 0.09 0.00 0.00 178.44 178.62 3io7 n PHE 1048N -5.29 0.04 1.31 1.13 3.01 -1.02 -1.02 117.46 115.62 3io7 n PHE 1048Ca -0.04 0.01 0.13 0.00 1.01 0.00 0.00 57.45 58.57 3io7 n PHE 1048Cb 0.20 -0.52 0.38 0.00 -0.01 0.00 0.00 39.48 39.53 3io7 n PHE 1048CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3io7 n THR 1049N -1.54 0.00 -2.52 4.37 -2.24 -0.87 -4.75 114.28 106.73 3io7 n THR 1049Ca 0.06 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 3io7 n THR 1049Cb 0.28 0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3io7 n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3io7 n TYR 1050N 0.01 -1.18 -2.55 4.78 4.02 -0.19 -2.21 117.16 119.83 3io7 n TYR 1050Ca 0.15 0.10 -0.11 0.00 -0.01 0.00 0.00 57.90 58.03 3io7 n TYR 1050Cb 0.39 -4.10 -0.00 0.00 -0.02 0.00 0.00 39.34 35.61 3io7 n TYR 1050CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3io7 n ILE 1051N -4.12 -0.51 -1.80 -0.72 5.41 -1.05 -4.26 119.36 112.31 3io7 n ILE 1051Ca -0.22 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.11 3io7 n ILE 1051Cb 0.68 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.16 3io7 n ILE 1051CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3io7 s GLU 1052N -5.12 4.16 0.37 0.38 2.12 -0.94 -4.90 118.70 114.78 3io7 s GLU 1052Ca 0.04 2.47 0.15 0.00 0.36 0.00 0.00 54.97 57.99 3io7 s GLU 1052Cb -0.02 -3.86 0.73 0.00 0.26 0.00 0.00 34.13 31.24 3io7 s GLU 1052CO 0.05 -0.86 1.80 1.57 -0.54 0.00 0.00 175.26 177.28 3io7 h LYS 1053N 9.37 0.00 0.00 4.30 2.10 -1.91 -1.85 116.57 128.58 3io7 h LYS 1053Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3io7 h LYS 1053Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3io7 h LYS 1053CO 0.94 0.39 0.00 0.66 -2.00 0.00 0.00 179.45 179.44 3io7 h SER 1054N 0.00 0.00 -0.18 7.07 4.64 -2.00 -3.07 113.55 120.01 3io7 h SER 1054Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3io7 h SER 1054Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3io7 h SER 1054CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3io7 n LYS 1055N -2.54 1.71 -1.06 4.77 4.76 -0.73 -4.68 118.16 120.38 3io7 n LYS 1055Ca 0.02 -1.69 -0.34 0.00 -2.87 0.00 0.00 58.31 53.44 3io7 n LYS 1055Cb 0.31 -1.31 0.12 0.00 -1.84 0.00 0.00 35.03 32.32 3io7 n LYS 1055CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3io7 n SER 1056N 0.83 0.47 -0.13 4.39 3.41 -1.00 -4.68 113.62 116.91 3io7 n SER 1056Ca 0.11 0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 59.23 3io7 n SER 1056Cb 0.41 -1.45 0.04 0.00 -0.26 0.00 0.00 64.21 62.95 3io7 n SER 1056CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3io7 h PRO 1057N -0.98 0.12 -0.50 4.33 0.11 -1.93 -0.54 132.00 132.60 3io7 h PRO 1057Ca -0.46 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3io7 h PRO 1057Cb 1.30 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3io7 h PRO 1057CO 0.44 0.08 0.28 -1.35 -0.21 0.00 0.00 178.00 177.25 3io7 h PRO 1058N 0.13 0.55 -0.35 1.05 0.11 -1.92 -1.04 132.00 130.52 3io7 h PRO 1058Ca 0.21 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.35 3io7 h PRO 1058Cb 0.30 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.23 3io7 h PRO 1058CO -0.34 0.36 0.04 0.00 -0.21 0.00 0.00 178.00 177.85 3io7 h ALA 1059N 1.24 0.35 -0.28 -0.75 0.00 -1.75 -2.23 119.26 115.85 3io7 h ALA 1059Ca 0.21 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3io7 h ALA 1059Cb 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3io7 h ALA 1059CO -0.12 -0.37 -0.07 0.93 0.00 0.00 0.00 179.25 179.62 3io7 h GLU 1060N 0.15 0.54 -0.51 0.00 4.39 -0.86 -2.43 114.58 115.85 3io7 h GLU 1060Ca 0.17 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3io7 h GLU 1060Cb 0.21 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3io7 h GLU 1060CO -0.25 0.75 0.05 0.74 -1.16 0.00 0.00 179.01 179.14 3io7 h PHE 1061N 0.29 0.93 -0.68 4.33 0.04 -1.21 -2.63 116.94 118.02 3io7 h PHE 1061Ca 0.07 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.78 3io7 h PHE 1061Cb 0.56 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.39 3io7 h PHE 1061CO 0.05 0.85 0.34 0.52 -0.60 0.00 0.00 178.31 179.48 3io7 h MET 1062N 0.74 0.59 0.47 1.51 2.86 -1.36 -0.39 114.93 119.35 3io7 h MET 1062Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3io7 h MET 1062Cb 0.44 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3io7 h MET 1062CO 0.02 0.39 -0.32 -0.09 1.06 0.00 0.00 176.91 177.96 3io7 h ARG 1063N 0.61 -0.74 -0.99 1.72 2.43 -1.38 0.46 114.38 116.49 3io7 h ARG 1063Ca 0.33 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.71 3io7 h ARG 1063Cb 0.30 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 29.93 3io7 h ARG 1063CO -0.24 -0.49 0.61 0.52 -1.51 0.00 0.00 179.97 178.86 3io7 h MET 1064N -0.77 0.76 -0.00 0.20 2.86 -1.04 -1.68 114.93 115.26 3io7 h MET 1064Ca -0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3io7 h MET 1064Cb 0.64 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3io7 h MET 1064CO 0.03 0.51 -0.64 0.44 1.06 0.00 0.00 176.91 178.30 3io7 n ILE 1065N -4.68 0.00 -0.02 -1.22 -5.35 -0.20 -5.06 119.36 102.83 3io7 n ILE 1065Ca 0.21 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 3io7 n ILE 1065Cb 0.52 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 3io7 n ILE 1065CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3io7 n GLY 1066N 1.46 1.17 0.13 3.28 0.00 0.16 -4.76 105.19 106.64 3io7 n GLY 1066Ca 0.06 -1.28 0.09 0.00 0.00 0.00 0.00 46.02 44.89 3io7 n GLY 1066CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3io7 n ASN 1067N -0.02 0.46 0.00 1.61 5.03 -1.10 -2.07 115.26 119.16 3io7 n ASN 1067Ca 0.00 0.70 0.15 0.00 0.87 0.00 0.00 54.58 56.30 3io7 n ASN 1067Cb 0.00 -0.77 0.84 0.00 -1.02 0.00 0.00 39.78 38.84 3io7 n ASN 1067CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3io7 n ASP 1068N -2.10 0.00 -4.76 6.41 5.75 -1.26 -4.81 116.55 115.78 3io7 n ASP 1068Ca -0.01 -0.79 -0.40 0.00 -0.01 0.00 0.00 54.79 53.58 3io7 n ASP 1068Cb 0.04 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 3io7 n ASP 1068CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3io7 s LYS 1069N -2.09 4.55 0.03 0.11 -0.14 -0.88 -5.07 119.74 116.25 3io7 s LYS 1069Ca 0.41 1.14 -0.06 0.00 -1.36 0.00 0.00 55.97 56.11 3io7 s LYS 1069Cb 0.20 -3.32 -0.01 0.00 -1.68 0.00 0.00 37.83 33.02 3io7 s LYS 1069CO 0.35 0.40 0.10 -0.65 -0.76 0.00 0.00 175.35 174.79 3io7 s GLN 1070N -0.50 0.54 2.27 1.68 -0.21 -1.26 -4.81 119.66 117.38 3io7 s GLN 1070Ca 0.38 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.13 3io7 s GLN 1070Cb -0.22 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.01 3io7 s GLN 1070CO 0.25 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 3io7 n GLY 1071N 1.02 1.85 0.40 3.09 0.00 -1.26 -2.06 105.19 108.23 3io7 n GLY 1071Ca -0.20 -0.33 0.21 0.00 0.00 0.00 0.00 46.02 45.69 3io7 n GLY 1071CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3io7 h GLN 1072N 0.00 0.00 -0.40 1.61 3.07 -2.01 -1.12 115.11 116.26 3io7 h GLN 1072Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 3io7 h GLN 1072Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 3io7 h GLN 1072CO 0.00 0.00 0.18 0.52 0.09 0.00 0.00 178.83 179.62 3io7 h MET 1073N 0.00 0.55 -0.60 0.06 2.86 -1.83 -2.22 114.93 113.76 3io7 h MET 1073Ca 0.22 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3io7 h MET 1073Cb 1.30 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 3io7 h MET 1073CO -0.00 0.44 0.38 0.82 1.06 0.00 0.00 176.91 179.61 3io7 h ILE 1074N 0.56 1.10 0.16 -1.22 2.04 -1.28 -0.97 117.51 117.90 3io7 h ILE 1074Ca 0.14 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3io7 h ILE 1074Cb 0.08 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3io7 h ILE 1074CO -0.02 0.14 -0.08 0.58 0.00 0.00 0.00 178.15 178.77 3io7 h VAL 1075N 0.75 0.84 -0.20 1.67 2.07 -1.53 -0.16 116.25 119.70 3io7 h VAL 1075Ca 0.23 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.79 3io7 h VAL 1075Cb -0.02 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3io7 h VAL 1075CO -0.08 0.00 -0.25 0.15 0.02 0.00 0.00 177.57 177.42 3io7 h PHE 1076N -0.23 -0.66 -0.05 1.57 3.04 -1.27 -1.77 116.94 117.58 3io7 h PHE 1076Ca -0.02 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 3io7 h PHE 1076Cb 0.18 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 3io7 h PHE 1076CO -0.06 -0.32 -0.62 0.45 -2.02 0.00 0.00 178.31 175.73 3io7 h HIS 1077N -0.27 0.25 -0.67 0.41 3.86 -1.06 -2.56 115.15 115.11 3io7 h HIS 1077Ca 0.12 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 3io7 h HIS 1077Cb 0.46 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 3io7 h HIS 1077CO -0.38 0.76 0.10 1.25 0.86 0.00 0.00 177.93 180.52 3io7 h LEU 1078N 0.14 1.06 0.02 2.43 5.85 -0.83 0.20 115.31 124.18 3io7 h LEU 1078Ca -0.01 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3io7 h LEU 1078Cb 1.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3io7 h LEU 1078CO 0.09 1.05 -0.07 0.40 -0.34 0.00 0.00 178.44 179.58 3io7 h ILE 1079N 1.03 0.82 0.08 4.05 2.04 -1.10 -0.92 117.51 123.52 3io7 h ILE 1079Ca 0.20 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.08 3io7 h ILE 1079Cb 0.45 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3io7 h ILE 1079CO 0.01 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.62 3io7 h GLU 1080N -0.13 -0.37 -0.50 2.37 4.39 -1.23 -0.10 114.58 119.00 3io7 h GLU 1080Ca 0.02 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.85 3io7 h GLU 1080Cb 0.16 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.80 3io7 h GLU 1080CO -0.06 -0.25 -0.15 1.25 -1.16 0.00 0.00 179.01 178.64 3io7 h LEU 1081N -0.39 -0.54 -0.27 1.33 5.85 -0.39 -2.30 115.31 118.60 3io7 h LEU 1081Ca 0.04 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3io7 h LEU 1081Cb 0.43 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3io7 h LEU 1081CO -0.14 -0.19 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.33 3io7 h LEU 1082N -0.03 0.80 -1.92 2.25 3.38 -0.96 -1.55 115.31 117.28 3io7 h LEU 1082Ca 0.24 -0.50 0.18 0.00 0.09 0.00 0.00 57.88 57.88 3io7 h LEU 1082Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3io7 h LEU 1082CO -0.53 1.15 0.56 0.11 0.09 0.00 0.00 178.44 179.82 3io7 h LYS 1083N 0.48 0.00 -0.53 1.13 1.57 -0.68 -0.99 116.57 117.55 3io7 h LYS 1083Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3io7 h LYS 1083Cb 0.96 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.21 3io7 h LYS 1083CO 0.09 0.00 0.09 0.09 -0.57 0.00 0.00 179.45 179.15 3io7 n ASN 1084N -3.87 4.63 -0.31 0.86 4.13 -0.89 -4.96 115.26 114.85 3io7 n ASN 1084Ca 0.12 -3.14 -0.04 0.00 1.68 0.00 0.00 54.58 53.20 3io7 n ASN 1084Cb 0.80 -0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 38.35 3io7 n ASN 1084CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3io7 n ASN 1085N -0.13 -4.17 -4.65 6.41 4.13 -0.38 -4.97 115.26 111.50 3io7 n ASN 1085Ca 0.31 0.10 -0.42 0.00 1.68 0.00 0.00 54.58 56.25 3io7 n ASN 1085Cb 1.17 -2.03 -0.03 0.00 -1.54 0.00 0.00 39.78 37.36 3io7 n ASN 1085CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3io7 s GLY 1086N -2.42 1.29 0.27 7.41 0.00 -0.64 -4.97 107.32 108.26 3io7 s GLY 1086Ca 0.00 1.19 0.06 0.00 0.00 0.00 0.00 44.72 45.97 3io7 s GLY 1086CO 0.00 3.50 -0.05 0.50 0.00 0.00 0.00 173.10 177.05 3io7 s ARG 1087N 4.77 1.49 0.42 2.90 1.81 -1.26 -4.39 118.95 124.68 3io7 s ARG 1087Ca 0.89 -1.75 -0.26 0.00 -1.72 0.00 0.00 55.73 52.89 3io7 s ARG 1087Cb -0.40 -1.02 -0.09 0.00 -0.45 0.00 0.00 34.95 32.99 3io7 s ARG 1087CO 0.40 0.01 1.43 -0.51 -0.68 0.00 0.00 175.30 175.94 3io7 s LEU 1088N -3.41 4.20 0.92 2.53 1.43 -1.26 -4.99 118.68 118.11 3io7 s LEU 1088Ca 0.29 2.93 -0.11 0.00 -1.03 0.00 0.00 54.13 56.21 3io7 s LEU 1088Cb 0.04 -3.84 0.15 0.00 0.03 0.00 0.00 46.19 42.57 3io7 s LEU 1088CO 0.11 -1.02 1.10 -2.16 0.23 0.00 0.00 176.35 174.61 3io7 s PRO 1089N -2.29 1.00 0.17 1.29 0.04 -1.26 -4.95 135.00 128.99 3io7 s PRO 1089Ca 0.57 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 62.49 3io7 s PRO 1089Cb -0.44 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 3io7 s PRO 1089CO 0.58 -2.53 1.65 0.50 0.04 0.00 0.00 177.00 177.24 3io7 s ARG 1090N -4.73 4.18 0.51 4.56 3.52 -1.26 -4.98 118.95 120.74 3io7 s ARG 1090Ca 0.65 2.46 -0.23 0.00 -0.13 0.00 0.00 55.73 58.48 3io7 s ARG 1090Cb -0.21 -3.20 -0.06 0.00 -1.56 0.00 0.00 34.95 29.92 3io7 s ARG 1090CO 0.58 -0.69 1.38 -2.14 -0.81 0.00 0.00 175.30 173.63 3io7 s PRO 1091N 1.42 3.34 0.04 5.12 0.02 -1.26 -4.92 135.00 138.76 3io7 s PRO 1091Ca 0.73 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.74 3io7 s PRO 1091Cb -0.46 -2.40 -0.09 0.00 0.02 0.00 0.00 34.50 31.58 3io7 s PRO 1091CO 0.32 -1.05 1.93 0.34 -0.33 0.00 0.00 177.00 178.20 3io7 s ASP 1092N -0.80 6.47 0.00 2.53 2.15 -1.26 -1.97 116.67 123.78 3io7 s ASP 1092Ca 0.68 2.64 0.00 0.00 0.43 0.00 0.00 52.55 56.30 3io7 s ASP 1092Cb -0.41 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.67 3io7 s ASP 1092CO 0.51 -1.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 3io7 n GLY 1093N 4.48 0.77 3.68 2.66 0.00 -1.26 -4.96 105.19 110.56 3io7 n GLY 1093Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3io7 n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3io7 s PRO 1095N 1.99 3.67 0.11 0.00 0.04 -1.26 -4.83 135.00 134.72 3io7 s PRO 1095Ca 0.46 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 3io7 s PRO 1095Cb -0.18 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3io7 s PRO 1095CO 0.17 -0.69 0.96 -0.25 0.04 0.00 0.00 177.00 177.22 3io7 n ASP 1096N -0.43 -0.60 0.22 6.66 8.00 -1.26 -2.02 116.55 127.12 3io7 n ASP 1096Ca 0.07 1.10 0.15 0.00 0.71 0.00 0.00 54.79 56.82 3io7 n ASP 1096Cb 0.46 -0.17 0.50 0.00 -0.02 0.00 0.00 41.12 41.89 3io7 n ASP 1096CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3io7 h GLU 1097N 0.00 0.00 0.15 -1.24 9.09 -1.99 -0.27 114.58 120.32 3io7 h GLU 1097Ca 0.13 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.21 3io7 h GLU 1097Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3io7 h GLU 1097CO -0.59 0.00 -1.60 0.82 0.05 0.00 0.00 179.01 177.69 3io7 h ILE 1098N 0.00 1.10 -0.59 -1.06 2.04 -1.78 -3.11 117.51 114.11 3io7 h ILE 1098Ca 0.00 -2.70 -0.07 0.00 1.00 0.00 0.00 64.86 63.09 3io7 h ILE 1098Cb 0.61 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 3io7 h ILE 1098CO 0.00 0.83 0.10 0.22 0.00 0.00 0.00 178.15 179.30 3io7 h TYR 1099N 0.09 1.03 -0.72 1.37 3.20 -1.15 -2.82 116.97 117.97 3io7 h TYR 1099Ca -0.28 -0.14 0.16 0.00 3.14 0.00 0.00 58.73 61.61 3io7 h TYR 1099Cb 2.06 -0.28 -0.11 0.00 1.54 0.00 0.00 36.73 39.93 3io7 h TYR 1099CO 0.08 0.89 0.12 0.52 -1.64 0.00 0.00 178.16 178.13 3io7 h MET 1100N 0.87 0.20 -0.21 1.82 2.86 -1.15 -2.23 114.93 117.09 3io7 h MET 1100Ca 0.18 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3io7 h MET 1100Cb 0.42 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3io7 h MET 1100CO 0.01 0.13 0.05 0.82 1.06 0.00 0.00 176.91 178.99 3io7 h ILE 1101N 0.21 0.92 -0.54 -1.22 2.04 -1.43 -2.29 117.51 115.20 3io7 h ILE 1101Ca 0.41 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.31 3io7 h ILE 1101Cb 0.70 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 3io7 h ILE 1101CO -0.55 0.03 0.15 0.24 0.00 0.00 0.00 178.15 178.02 3io7 h MET 1102N 0.14 0.29 -0.04 2.37 2.86 -1.22 -1.80 114.93 117.54 3io7 h MET 1102Ca 0.09 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 3io7 h MET 1102Cb 0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3io7 h MET 1102CO -0.11 0.19 -0.62 1.79 1.06 0.00 0.00 176.91 179.22 3io7 h THR 1103N 0.30 1.41 -0.43 2.22 1.35 -1.23 -0.81 112.91 115.73 3io7 h THR 1103Ca 0.27 -2.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.03 3io7 h THR 1103Cb 0.36 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 3io7 h THR 1103CO -0.32 0.60 0.08 -0.33 -0.25 0.00 0.00 175.52 175.30 3io7 h GLU 1104N 0.11 0.64 -0.28 4.72 5.08 -1.12 -2.56 114.58 121.16 3io7 h GLU 1104Ca -0.01 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3io7 h GLU 1104Cb 1.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3io7 h GLU 1104CO 0.09 0.61 -0.19 0.00 -1.00 0.00 0.00 179.01 178.52 3io7 n TRP 1106N -4.16 1.68 -2.74 0.00 8.01 -0.38 -3.93 117.44 115.92 3io7 n TRP 1106Ca 0.00 -1.97 -0.42 0.00 -1.31 0.00 0.00 57.50 53.80 3io7 n TRP 1106Cb 0.37 -0.96 -0.03 0.00 -2.01 0.00 0.00 31.31 28.68 3io7 n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3io7 s ASN 1107N -0.02 7.30 0.38 -0.99 3.84 -1.21 -4.95 114.94 119.28 3io7 s ASN 1107Ca 0.33 1.57 0.06 0.00 0.21 0.00 0.00 52.86 55.04 3io7 s ASN 1107Cb 0.26 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 39.16 3io7 s ASN 1107CO 0.00 -0.30 1.96 0.78 -2.79 0.00 0.00 177.10 176.75 3io7 h ASN 1108N 6.89 0.43 -3.31 -4.21 -0.26 -1.93 -3.39 115.58 109.79 3io7 h ASN 1108Ca -0.38 -0.05 -0.57 0.00 -0.56 0.00 0.00 56.30 54.74 3io7 h ASN 1108Cb 1.20 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 38.29 3io7 h ASN 1108CO 0.78 0.44 0.89 0.21 -1.06 0.00 0.00 177.43 178.68 3io7 s ASN 1109N -6.75 6.83 0.23 5.81 3.84 -1.26 -4.93 114.94 118.71 3io7 s ASN 1109Ca -0.07 1.03 -0.06 0.00 0.21 0.00 0.00 52.86 53.97 3io7 s ASN 1109Cb 0.16 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.55 3io7 s ASN 1109CO 0.74 -0.98 1.78 -0.37 -2.79 0.00 0.00 177.10 175.49 3io7 h VAL 1110N 5.85 1.25 -0.92 -5.21 -1.51 -1.99 -2.93 116.25 110.79 3io7 h VAL 1110Ca -0.22 -0.86 0.22 0.00 -1.23 0.00 0.00 66.70 64.60 3io7 h VAL 1110Cb 1.07 0.49 -0.07 0.00 -2.13 0.00 0.00 31.29 30.65 3io7 h VAL 1110CO 1.04 0.34 0.61 0.78 -1.23 0.00 0.00 177.57 179.11 3io7 h ASN 1111N 1.02 0.36 -0.09 4.19 4.21 -1.94 -2.94 115.58 120.39 3io7 h ASN 1111Ca 0.22 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.78 3io7 h ASN 1111Cb 0.29 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3io7 h ASN 1111CO -0.01 0.13 0.00 0.00 -1.29 0.00 0.00 177.43 176.27 3io7 n GLN 1112N -4.49 2.13 -2.32 0.81 6.02 -1.11 -4.88 117.38 113.54 3io7 n GLN 1112Ca 0.20 -1.66 -0.38 0.00 -0.01 0.00 0.00 57.00 55.15 3io7 n GLN 1112Cb 0.75 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 3io7 n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3io7 s ARG 1113N -1.91 4.01 0.91 -1.09 0.52 -1.11 -4.98 118.95 115.30 3io7 s ARG 1113Ca 0.33 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 57.21 3io7 s ARG 1113Cb 0.20 -2.61 0.14 0.00 0.52 0.00 0.00 34.95 33.20 3io7 s ARG 1113CO 0.31 -0.34 1.09 -1.25 0.02 0.00 0.00 175.30 175.13 3io7 s PRO 1114N -2.40 1.13 0.37 3.54 0.04 -1.26 -5.04 135.00 131.38 3io7 s PRO 1114Ca 0.58 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 3io7 s PRO 1114Cb -0.29 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3io7 s PRO 1114CO 0.36 -2.36 0.73 -1.54 0.04 0.00 0.00 177.00 174.23 3io7 s SER 1115N -3.23 6.57 0.54 6.66 1.04 -1.26 -4.95 113.70 119.07 3io7 s SER 1115Ca 0.64 1.11 0.21 0.00 0.48 0.00 0.00 55.95 58.39 3io7 s SER 1115Cb -0.19 -2.31 1.46 0.00 0.10 0.00 0.00 66.02 65.08 3io7 s SER 1115CO 0.58 -0.33 2.19 -0.26 0.98 0.00 0.00 173.24 176.40 3io7 h PHE 1116N 1.55 0.00 -0.09 5.02 -1.00 -1.95 -2.14 116.94 118.32 3io7 h PHE 1116Ca -0.47 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.30 3io7 h PHE 1116Cb 1.18 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 3io7 h PHE 1116CO 0.61 0.00 0.04 -0.09 -1.61 0.00 0.00 178.31 177.26 3io7 h ARG 1117N 0.00 0.13 -0.61 1.51 2.43 -1.93 -2.16 114.38 113.75 3io7 h ARG 1117Ca -0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3io7 h ARG 1117Cb 0.00 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3io7 h ARG 1117CO 0.00 0.22 0.23 -0.44 -1.51 0.00 0.00 179.97 178.47 3io7 h ASP 1118N 0.01 0.86 -0.95 -3.80 3.45 -1.88 -3.06 116.42 111.05 3io7 h ASP 1118Ca 0.03 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 3io7 h ASP 1118Cb 0.13 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 38.63 3io7 h ASP 1118CO -0.00 0.81 0.59 -0.07 -1.57 0.00 0.00 179.24 178.99 3io7 h LEU 1119N 0.86 1.12 -0.65 1.55 3.38 -1.31 0.23 115.31 120.48 3io7 h LEU 1119Ca 0.20 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3io7 h LEU 1119Cb 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3io7 h LEU 1119CO -0.01 0.85 0.26 0.00 0.09 0.00 0.00 178.44 179.62 3io7 h ALA 1120N 1.35 0.84 0.09 1.53 0.00 -1.35 -0.27 119.26 121.44 3io7 h ALA 1120Ca 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3io7 h ALA 1120Cb -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3io7 h ALA 1120CO -0.07 0.46 -0.04 -0.07 0.00 0.00 0.00 179.25 179.53 3io7 h LEU 1121N 0.92 -0.10 -0.44 0.00 3.38 -1.33 -2.33 115.31 115.40 3io7 h LEU 1121Ca 0.22 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3io7 h LEU 1121Cb 0.21 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3io7 h LEU 1121CO -0.02 0.11 -0.01 0.03 0.09 0.00 0.00 178.44 178.64 3io7 h ARG 1122N -0.31 0.09 -0.51 1.13 3.08 -0.41 -0.49 114.38 116.96 3io7 h ARG 1122Ca -0.01 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 3io7 h ARG 1122Cb 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3io7 h ARG 1122CO 0.02 0.06 -0.13 0.28 -1.07 0.00 0.00 179.97 179.13 3io7 h VAL 1123N 0.09 1.27 -0.30 2.04 2.07 -1.03 -1.89 116.25 118.51 3io7 h VAL 1123Ca 0.22 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 3io7 h VAL 1123Cb 0.32 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3io7 h VAL 1123CO -0.38 0.45 -0.17 0.44 0.02 0.00 0.00 177.57 177.93 3io7 h ASP 1124N 0.85 0.52 0.39 0.57 5.19 -1.07 -1.58 116.42 121.29 3io7 h ASP 1124Ca 0.13 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3io7 h ASP 1124Cb 0.69 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 3io7 h ASP 1124CO 0.05 0.71 -0.22 -0.61 -3.12 0.00 0.00 179.24 176.05 3io7 h GLN 1125N 0.48 -0.55 -0.36 3.56 5.75 -0.74 -2.24 115.11 121.01 3io7 h GLN 1125Ca 0.08 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.69 3io7 h GLN 1125Cb 0.57 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.18 3io7 h GLN 1125CO 0.04 -0.37 -0.04 0.82 -2.65 0.00 0.00 178.83 176.63 3io7 h ILE 1126N -0.57 0.69 -0.92 2.39 2.04 -1.19 -1.47 117.51 118.48 3io7 h ILE 1126Ca -0.05 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3io7 h ILE 1126Cb 0.46 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 3io7 h ILE 1126CO 0.06 0.01 0.56 0.03 0.00 0.00 0.00 178.15 178.81 3io7 h ARG 1127N 0.06 0.89 -0.12 2.37 3.08 -1.18 -1.17 114.38 118.30 3io7 h ARG 1127Ca 0.17 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 3io7 h ARG 1127Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3io7 h ARG 1127CO -0.33 0.59 -0.60 0.22 -1.07 0.00 0.00 179.97 178.78 3io7 h ASP 1128N 0.92 0.46 -0.41 7.04 -0.00 -0.97 -3.13 116.42 120.33 3io7 h ASP 1128Ca 0.45 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.03 57.21 3io7 h ASP 1128Cb 0.41 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 3io7 h ASP 1128CO -0.25 0.95 0.24 0.78 -0.00 0.00 0.00 179.24 180.96 3io7 h ASN 1129N 0.30 0.49 0.00 2.28 -0.26 -0.20 -3.52 115.58 114.68 3io7 h ASN 1129Ca -0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 3io7 h ASN 1129Cb 1.13 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.27 3io7 h ASN 1129CO 0.10 0.41 0.00 0.23 -1.06 0.00 0.00 177.43 177.11