#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fup s PHE 844 N 0.00 2.86 -0.15 3.69 0.08 -1.24 -5.07 117.98 118.15 3fup s PHE 844 Ca 0.00 -1.06 -0.10 0.00 0.12 0.00 0.00 56.93 55.89 3fup s PHE 844 Cb 0.00 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3fup s PHE 844 CO 0.00 -0.54 0.17 -1.21 -0.10 0.00 0.00 175.22 173.54 3fup s GLU 845 N 1.13 3.90 0.21 0.44 2.02 -1.26 -4.54 118.70 120.61 3fup s GLU 845 Ca 0.01 -0.11 -0.09 0.00 0.02 0.00 0.00 54.97 54.80 3fup s GLU 845 Cb -0.14 -3.32 0.28 0.00 0.10 0.00 0.00 34.13 31.04 3fup s GLU 845 CO -0.03 0.49 1.76 1.49 0.02 0.00 0.00 175.26 178.99 3fup h GLU 846 N 5.94 0.46 0.00 1.61 4.81 -1.96 -1.86 114.58 123.59 3fup h GLU 846 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3fup h GLU 846 Cb 1.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3fup h GLU 846 CO 0.68 0.31 0.00 0.07 -0.73 0.00 0.00 179.01 179.34 3fup h ARG 847 N 0.48 0.00 -0.59 1.92 0.11 -1.97 -2.75 114.38 111.58 3fup h ARG 847 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3fup h ARG 847 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3fup h ARG 847 CO -0.28 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.51 3fup n HIS 848 N -2.52 0.96 -4.06 4.08 8.25 -0.70 -4.90 115.22 116.34 3fup n HIS 848 Ca -0.01 -0.54 -0.33 0.00 -0.26 0.00 0.00 57.72 56.58 3fup n HIS 848 Cb 0.12 -0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 3fup n HIS 848 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fup s LEU 849 N -1.29 2.99 -0.17 2.41 2.96 -1.04 0.22 118.68 124.76 3fup s LEU 849 Ca 0.43 -1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 3fup s LEU 849 Cb 0.24 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3fup s LEU 849 CO 0.26 -0.12 0.00 -0.54 -1.32 0.00 0.00 176.35 174.63 3fup s LYS 850 N 1.21 3.76 0.15 1.98 1.02 -0.38 -4.92 119.74 122.56 3fup s LYS 850 Ca -0.03 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 3fup s LYS 850 Cb -0.17 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 3fup s LYS 850 CO -0.07 0.20 1.21 0.12 -0.92 0.00 0.00 175.35 175.89 3fup s PHE 851 N 0.51 3.42 -0.07 3.18 5.36 -1.26 -0.72 117.98 128.40 3fup s PHE 851 Ca -0.01 1.37 -0.04 0.00 -0.96 0.00 0.00 56.93 57.30 3fup s PHE 851 Cb -0.14 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 39.07 3fup s PHE 851 CO 0.02 -1.28 -0.10 1.28 -1.46 0.00 0.00 175.22 173.68 3fup n LEU 852 N 2.88 0.62 -3.66 6.12 4.77 0.39 -4.90 117.00 123.22 3fup n LEU 852 Ca 0.06 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 3fup n LEU 852 Cb 0.45 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3fup n LEU 852 CO 0.56 0.08 0.86 0.00 -1.33 0.00 0.00 177.39 177.55 3fup s GLN 853 N -2.15 0.79 0.06 3.23 -2.07 -0.80 -4.98 119.66 113.74 3fup s GLN 853 Ca -0.10 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 52.72 3fup s GLN 853 Cb 0.04 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.19 3fup s GLN 853 CO 0.13 -0.36 1.25 -1.14 -1.32 0.00 0.00 175.29 173.86 3fup s GLN 854 N -2.89 4.39 -0.07 9.60 2.00 -1.26 0.92 119.66 132.34 3fup s GLN 854 Ca 0.11 1.84 0.16 0.00 -2.00 0.00 0.00 55.36 55.47 3fup s GLN 854 Cb 0.01 -3.37 -0.23 0.00 0.80 0.00 0.00 33.01 30.22 3fup s GLN 854 CO -0.02 -0.34 0.24 1.28 -0.50 0.00 0.00 175.29 175.95 3fup n LEU 855 N 4.17 0.00 0.00 3.68 4.77 0.33 -4.84 117.00 125.12 3fup n LEU 855 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3fup n LEU 855 Cb 0.45 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3fup n LEU 855 CO 0.56 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3fup n GLY 856 N 1.75 0.73 3.01 -0.72 0.00 -1.04 -4.94 105.19 103.97 3fup n GLY 856 Ca -0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3fup n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fup s LYS 857 N -2.00 0.37 -0.29 1.61 1.02 -1.26 -0.76 119.74 118.43 3fup s LYS 857 Ca 0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 3fup s LYS 857 Cb 0.00 0.13 0.17 0.00 -0.52 0.00 0.00 37.83 37.62 3fup s LYS 857 CO 0.00 -0.06 0.55 0.20 -0.92 0.00 0.00 175.35 175.11 3fup s GLY 858 N -1.66 -0.84 0.00 -3.33 0.00 -0.26 -5.00 107.32 96.22 3fup s GLY 858 Ca -0.13 1.65 0.00 0.00 0.00 0.00 0.00 44.72 46.24 3fup s GLY 858 CO -0.02 3.19 0.00 0.70 0.00 0.00 0.00 173.10 176.97 3fup n ASN 859 N 5.41 0.00 -1.25 1.64 4.13 -1.26 -1.67 115.26 122.27 3fup n ASN 859 Ca -0.02 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.26 3fup n ASN 859 Cb 0.51 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.86 3fup n ASN 859 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3fup n PHE 860 N 0.00 0.38 -4.32 3.10 3.72 -1.26 -5.05 117.46 114.03 3fup n PHE 860 Ca 0.00 -1.27 -0.20 0.00 -0.05 0.00 0.00 57.45 55.93 3fup n PHE 860 Cb 0.00 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.21 3fup n PHE 860 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3fup s GLY 861 N -2.88 1.34 0.20 1.37 0.00 -0.67 -2.70 107.32 103.98 3fup s GLY 861 Ca 0.37 -1.52 0.10 0.00 0.00 0.00 0.00 44.72 43.67 3fup s GLY 861 CO -0.09 -1.59 -0.19 -0.45 0.00 0.00 0.00 173.10 170.77 3fup s SER 862 N -2.89 3.02 -0.10 1.64 0.15 0.17 -1.10 113.70 114.58 3fup s SER 862 Ca 0.17 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 55.92 3fup s SER 862 Cb -0.03 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 3fup s SER 862 CO 0.06 -0.01 -0.18 -0.69 1.20 0.00 0.00 173.24 173.62 3fup s VAL 863 N -2.21 1.64 0.09 4.45 1.01 0.06 -1.64 120.40 123.80 3fup s VAL 863 Ca 0.21 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.54 3fup s VAL 863 Cb -0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3fup s VAL 863 CO 0.09 0.47 -0.26 -1.61 0.00 0.00 0.00 175.10 173.79 3fup s GLU 864 N 0.69 1.53 -0.33 2.72 2.02 0.01 0.12 118.70 125.47 3fup s GLU 864 Ca -0.12 -1.23 -0.17 0.00 0.02 0.00 0.00 54.97 53.47 3fup s GLU 864 Cb -0.16 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 3fup s GLU 864 CO 0.03 0.46 0.46 1.41 0.02 0.00 0.00 175.26 177.64 3fup s MET 865 N -1.69 3.70 0.13 1.61 -2.45 0.26 -1.10 119.30 119.76 3fup s MET 865 Ca 0.12 -0.15 0.07 0.00 -1.25 0.00 0.00 55.69 54.49 3fup s MET 865 Cb -0.10 -3.77 -0.04 0.00 1.25 0.00 0.00 34.83 32.17 3fup s MET 865 CO 0.04 -0.54 -0.17 0.00 1.05 0.00 0.00 175.02 175.40 3fup s ARG 867 N -2.49 4.14 -0.29 0.00 3.52 0.10 -0.59 118.95 123.33 3fup s ARG 867 Ca 0.10 -0.03 -0.25 0.00 -0.13 0.00 0.00 55.73 55.42 3fup s ARG 867 Cb -0.07 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3fup s ARG 867 CO 0.05 0.04 0.87 -0.47 -0.81 0.00 0.00 175.30 174.98 3fup s TYR 868 N 1.08 3.22 -0.43 5.12 5.04 -0.29 -1.24 117.35 129.85 3fup s TYR 868 Ca 0.13 0.99 0.09 0.00 -2.44 0.00 0.00 57.07 55.84 3fup s TYR 868 Cb -0.14 -3.29 0.31 0.00 0.35 0.00 0.00 41.96 39.19 3fup s TYR 868 CO 0.06 -0.57 0.69 -3.47 -1.34 0.00 0.00 175.55 170.91 3fup n ASP 869 N 6.31 1.31 0.30 4.32 2.03 0.13 -0.95 116.55 130.00 3fup n ASP 869 Ca 0.06 -3.02 0.16 0.00 0.52 0.00 0.00 54.79 52.51 3fup n ASP 869 Cb 0.48 -0.62 0.96 0.00 -0.72 0.00 0.00 41.12 41.21 3fup n ASP 869 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fup h PRO 870 N 3.44 0.00 -0.00 -0.67 0.13 -1.93 0.15 132.00 133.12 3fup h PRO 870 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3fup h PRO 870 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3fup h PRO 870 CO 0.55 0.00 -0.40 1.28 -0.23 0.00 0.00 178.00 179.20 3fup n LEU 871 N -3.74 0.62 -3.72 1.56 4.77 -1.26 -4.94 117.00 110.29 3fup n LEU 871 Ca -0.03 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 3fup n LEU 871 Cb 0.08 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3fup n LEU 871 CO 0.26 0.14 0.12 0.00 -1.33 0.00 0.00 177.39 176.59 3fup n GLN 872 N -1.25 -6.36 -0.14 3.23 1.13 0.52 -4.85 117.38 109.67 3fup n GLN 872 Ca 0.08 0.71 0.02 0.00 -1.94 0.00 0.00 57.00 55.86 3fup n GLN 872 Cb 0.34 -5.61 0.02 0.00 0.11 0.00 0.00 30.24 25.10 3fup n GLN 872 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3fup n ASP 873 N -2.97 0.78 -3.91 1.08 5.75 -1.26 -4.99 116.55 111.03 3fup n ASP 873 Ca -0.07 -1.79 -0.25 0.00 -0.01 0.00 0.00 54.79 52.67 3fup n ASP 873 Cb 0.58 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 3fup n ASP 873 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3fup n ASN 874 N -0.32 -1.03 0.00 -1.12 2.85 -1.26 -4.87 115.26 109.50 3fup n ASN 874 Ca 0.02 -0.95 0.00 0.00 -0.11 0.00 0.00 54.58 53.55 3fup n ASN 874 Cb 0.52 -3.34 0.00 0.00 1.24 0.00 0.00 39.78 38.20 3fup n ASN 874 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3fup n THR 875 N -4.39 0.70 -1.53 -0.44 -2.24 -1.26 -5.09 114.28 100.04 3fup n THR 875 Ca -0.26 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.50 3fup n THR 875 Cb 0.66 0.67 0.19 0.00 -2.10 0.00 0.00 70.33 69.75 3fup n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fup s GLY 876 N -0.70 1.65 -0.08 3.38 0.00 -1.25 -5.05 107.32 105.27 3fup s GLY 876 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 3fup s GLY 876 CO 0.00 -0.17 -0.06 1.85 0.00 0.00 0.00 173.10 174.72 3fup s GLU 877 N -5.55 2.90 -0.16 2.90 2.12 -0.13 -4.79 118.70 115.99 3fup s GLU 877 Ca 0.70 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 3fup s GLU 877 Cb -0.09 -2.66 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 3fup s GLU 877 CO 0.54 0.61 1.12 0.08 -0.54 0.00 0.00 175.26 177.07 3fup s VAL 878 N -0.66 4.53 0.36 3.70 1.01 -1.26 -1.13 120.40 126.95 3fup s VAL 878 Ca 0.10 1.84 0.05 0.00 0.00 0.00 0.00 61.98 63.97 3fup s VAL 878 Cb -0.11 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3fup s VAL 878 CO 0.02 -0.11 0.03 0.68 0.00 0.00 0.00 175.10 175.72 3fup s VAL 879 N 2.92 1.55 -0.11 2.92 -7.23 0.24 -3.96 120.40 116.73 3fup s VAL 879 Ca 0.49 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3fup s VAL 879 Cb -0.19 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 3fup s VAL 879 CO 0.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 175.10 174.90 3fup s ALA 880 N -3.04 3.19 -0.16 1.32 0.00 -0.57 -2.06 121.76 120.45 3fup s ALA 880 Ca 0.36 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3fup s ALA 880 Cb 0.09 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.72 3fup s ALA 880 CO 0.17 0.47 -0.18 0.08 0.00 0.00 0.00 175.76 176.29 3fup s VAL 881 N -0.48 1.83 -0.18 0.00 1.01 -0.26 0.01 120.40 122.34 3fup s VAL 881 Ca 0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3fup s VAL 881 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3fup s VAL 881 CO 0.02 0.50 0.07 -0.75 0.00 0.00 0.00 175.10 174.95 3fup s LYS 882 N 1.26 3.93 0.19 2.72 2.20 0.19 -0.81 119.74 129.42 3fup s LYS 882 Ca 0.02 -0.31 0.09 0.00 -0.36 0.00 0.00 55.97 55.41 3fup s LYS 882 Cb -0.13 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3fup s LYS 882 CO -0.09 0.33 -0.18 -1.59 -0.36 0.00 0.00 175.35 173.46 3fup s LYS 883 N 0.21 1.36 0.07 4.03 -2.85 -0.65 -0.45 119.74 121.46 3fup s LYS 883 Ca 0.05 -1.50 -0.31 0.00 -1.00 0.00 0.00 55.97 53.21 3fup s LYS 883 Cb -0.12 -1.38 -0.08 0.00 -2.06 0.00 0.00 37.83 34.19 3fup s LYS 883 CO 0.00 0.27 1.58 -0.51 0.10 0.00 0.00 175.35 176.79 3fup s LEU 884 N -2.92 4.36 0.41 2.77 1.43 -1.26 -0.66 118.68 122.80 3fup s LEU 884 Ca 0.19 2.43 0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3fup s LEU 884 Cb -0.05 -3.57 0.85 0.00 0.03 0.00 0.00 46.19 43.45 3fup s LEU 884 CO 0.08 -0.84 1.95 -0.61 0.23 0.00 0.00 176.35 177.16 3fup h GLN 885 N 7.95 0.20 -2.37 1.70 5.75 -1.79 -3.39 115.11 123.18 3fup h GLN 885 Ca -0.42 -0.04 -0.27 0.00 -0.15 0.00 0.00 58.65 57.77 3fup h GLN 885 Cb 1.20 -0.03 -0.34 0.00 1.07 0.00 0.00 27.48 29.38 3fup h GLN 885 CO 0.92 0.32 -0.58 -1.01 -2.65 0.00 0.00 178.83 175.83 3fup s HIS 886 N -4.77 -0.43 0.18 3.99 3.76 -1.26 -5.04 115.29 111.70 3fup s HIS 886 Ca -0.05 0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 54.97 3fup s HIS 886 Cb 0.16 -0.24 -0.10 0.00 1.11 0.00 0.00 32.58 33.51 3fup s HIS 886 CO 0.72 -0.62 1.50 0.45 -0.85 0.00 0.00 174.74 175.94 3fup s SER 887 N 2.39 6.65 0.25 1.40 0.15 -1.26 -5.01 113.70 118.27 3fup s SER 887 Ca 0.08 2.57 0.04 0.00 0.70 0.00 0.00 55.95 59.34 3fup s SER 887 Cb -0.15 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.50 3fup s SER 887 CO -0.13 -0.75 0.01 -0.89 1.20 0.00 0.00 173.24 172.68 3fup s THR 888 N 0.81 1.07 0.04 6.45 2.01 -1.26 -5.04 115.64 119.72 3fup s THR 888 Ca 0.66 -2.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 3fup s THR 888 Cb -0.42 -2.45 -0.24 0.00 0.01 0.00 0.00 72.50 69.40 3fup s THR 888 CO 0.34 -0.25 1.13 -0.08 -0.69 0.00 0.00 174.62 175.07 3fup h GLU 889 N 2.39 0.55 -0.29 4.92 4.57 -1.99 -3.11 114.58 121.63 3fup h GLU 889 Ca -0.39 -0.62 -0.03 0.00 -1.18 0.00 0.00 59.36 57.15 3fup h GLU 889 Cb 1.23 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 3fup h GLU 889 CO 0.65 1.23 0.08 0.93 -1.18 0.00 0.00 179.01 180.72 3fup h GLU 890 N 0.13 0.47 0.00 1.92 4.39 -1.99 -1.17 114.58 118.33 3fup h GLU 890 Ca -0.11 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3fup h GLU 890 Cb 1.55 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3fup h GLU 890 CO 0.17 0.54 0.00 0.72 -1.16 0.00 0.00 179.01 179.28 3fup n HIS 891 N -4.68 0.57 -0.07 4.33 8.25 -1.25 -1.87 115.22 120.50 3fup n HIS 891 Ca -0.02 0.23 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 3fup n HIS 891 Cb 0.18 -0.87 -0.06 0.00 1.12 0.00 0.00 29.99 30.36 3fup n HIS 891 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3fup n LEU 892 N -2.02 2.88 -0.27 2.41 0.00 -1.11 -1.54 117.00 117.35 3fup n LEU 892 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 56.01 56.07 3fup n LEU 892 Cb 0.21 -0.45 0.21 0.00 0.00 0.00 0.00 43.42 43.39 3fup n LEU 892 CO 0.18 0.71 0.60 -1.14 0.00 0.00 0.00 177.39 177.73 3fup n ARG 893 N -2.88 -0.06 0.06 1.96 0.63 -0.46 -0.15 116.66 115.76 3fup n ARG 893 Ca -0.24 1.16 -0.21 0.00 -0.92 0.00 0.00 57.85 57.64 3fup n ARG 893 Cb 0.76 -1.83 -0.11 0.00 0.45 0.00 0.00 32.46 31.73 3fup n ARG 893 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3fup h ASP 894 N 0.00 0.87 -0.34 6.15 5.19 -1.42 -3.14 116.42 123.74 3fup h ASP 894 Ca 0.45 -0.77 0.04 0.00 -0.62 0.00 0.00 57.03 56.13 3fup h ASP 894 Cb 0.90 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.10 3fup h ASP 894 CO -0.73 1.54 0.10 0.15 -3.12 0.00 0.00 179.24 177.18 3fup h PHE 895 N 0.31 0.17 -0.16 4.55 3.57 -0.67 -1.68 116.94 123.04 3fup h PHE 895 Ca -0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 3fup h PHE 895 Cb 1.75 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 3fup h PHE 895 CO 0.11 0.06 0.09 0.93 -2.23 0.00 0.00 178.31 177.27 3fup h GLU 896 N 0.23 0.21 -0.19 1.11 5.08 -0.59 -0.58 114.58 119.85 3fup h GLU 896 Ca 0.16 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3fup h GLU 896 Cb 0.15 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fup h GLU 896 CO -0.18 0.15 -0.30 0.00 -1.00 0.00 0.00 179.01 177.68 3fup h ARG 897 N 0.21 0.54 -0.92 2.33 3.08 -1.42 -2.39 114.38 115.82 3fup h ARG 897 Ca 0.06 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.83 3fup h ARG 897 Cb 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 3fup h ARG 897 CO -0.01 0.93 0.58 1.49 -1.07 0.00 0.00 179.97 181.90 3fup h GLU 898 N 0.20 1.06 -0.54 0.04 4.81 -0.59 0.25 114.58 119.80 3fup h GLU 898 Ca 0.01 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3fup h GLU 898 Cb 0.89 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3fup h GLU 898 CO 0.07 0.70 0.24 0.82 -0.73 0.00 0.00 179.01 180.11 3fup h ILE 899 N 1.09 1.21 -0.46 2.32 2.04 -1.09 -0.62 117.51 122.00 3fup h ILE 899 Ca 0.39 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3fup h ILE 899 Cb 0.11 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3fup h ILE 899 CO -0.15 0.24 -0.04 -0.33 0.00 0.00 0.00 178.15 177.86 3fup h GLU 900 N 0.72 0.79 0.23 2.37 4.39 -0.78 -0.79 114.58 121.51 3fup h GLU 900 Ca 0.18 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3fup h GLU 900 Cb 0.16 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3fup h GLU 900 CO -0.02 0.82 -0.17 0.82 -1.16 0.00 0.00 179.01 179.30 3fup h ILE 901 N 0.73 0.63 -0.24 3.13 1.08 -0.19 -1.99 117.51 120.65 3fup h ILE 901 Ca 0.13 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.51 3fup h ILE 901 Cb 0.50 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3fup h ILE 901 CO 0.03 0.00 -0.22 0.25 -0.69 0.00 0.00 178.15 177.52 3fup h LEU 902 N -0.41 0.61 -1.95 1.44 5.85 -0.78 -1.64 115.31 118.43 3fup h LEU 902 Ca -0.01 -0.46 0.21 0.00 0.84 0.00 0.00 57.88 58.45 3fup h LEU 902 Cb 0.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3fup h LEU 902 CO -0.00 0.95 0.59 0.50 -0.34 0.00 0.00 178.44 180.14 3fup h LYS 903 N 0.29 0.00 -0.00 1.25 3.64 -1.16 -0.83 116.57 119.76 3fup h LYS 903 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3fup h LYS 903 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3fup h LYS 903 CO 0.06 0.00 -0.27 -1.13 -2.27 0.00 0.00 179.45 175.83 3fup n SER 904 N -4.04 0.48 -4.66 4.20 3.41 -0.63 -4.82 113.62 107.57 3fup n SER 904 Ca 0.15 -0.28 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 3fup n SER 904 Cb 0.86 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.73 3fup n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fup s LEU 905 N -2.80 4.12 -0.34 1.04 1.43 -0.32 -5.05 118.68 116.78 3fup s LEU 905 Ca 0.18 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3fup s LEU 905 Cb 0.19 -2.36 0.11 0.00 0.03 0.00 0.00 46.19 44.16 3fup s LEU 905 CO 0.58 -0.05 0.15 -1.10 0.23 0.00 0.00 176.35 176.17 3fup s GLN 906 N 1.36 0.66 -0.07 1.70 -0.21 -1.26 -4.89 119.66 116.95 3fup s GLN 906 Ca 0.14 -1.16 -0.16 0.00 0.02 0.00 0.00 55.36 54.20 3fup s GLN 906 Cb -0.15 -1.74 0.03 0.00 1.00 0.00 0.00 33.01 32.16 3fup s GLN 906 CO 0.07 -1.07 0.39 -1.58 -2.12 0.00 0.00 175.29 170.99 3fup s HIS 907 N 1.41 -0.34 0.54 0.91 2.46 -1.26 -5.05 115.29 113.96 3fup s HIS 907 Ca 0.12 0.69 0.22 0.00 0.47 0.00 0.00 55.06 56.56 3fup s HIS 907 Cb -0.19 0.15 1.44 0.00 -0.13 0.00 0.00 32.58 33.85 3fup s HIS 907 CO -0.19 -0.34 2.13 -0.44 -2.47 0.00 0.00 174.74 173.43 3fup h ASP 908 N 4.43 0.00 -0.56 9.88 3.32 -1.99 -1.79 116.42 129.71 3fup h ASP 908 Ca -0.28 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.49 3fup h ASP 908 Cb 1.17 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.56 3fup h ASP 908 CO 0.34 0.00 0.15 0.59 -1.72 0.00 0.00 179.24 178.60 3fup n ASN 909 N -4.29 3.01 -3.91 6.45 3.02 -1.26 -4.79 115.26 113.48 3fup n ASN 909 Ca 0.00 -3.68 -0.25 0.00 -0.03 0.00 0.00 54.58 50.63 3fup n ASN 909 Cb 0.23 -0.70 -0.17 0.00 -0.61 0.00 0.00 39.78 38.54 3fup n ASN 909 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fup s ILE 910 N -3.24 0.90 0.88 2.41 1.01 -0.68 -0.83 121.20 121.66 3fup s ILE 910 Ca 0.49 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 3fup s ILE 910 Cb 0.43 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 3fup s ILE 910 CO 0.04 0.34 0.14 0.55 0.00 0.00 0.00 174.94 176.00 3fup n VAL 911 N 4.69 0.48 -3.87 2.92 3.14 0.51 -4.61 118.33 121.60 3fup n VAL 911 Ca -0.15 -0.33 -0.34 0.00 -2.96 0.00 0.00 64.34 60.56 3fup n VAL 911 Cb 0.50 -0.48 -0.13 0.00 -1.06 0.00 0.00 33.84 32.68 3fup n VAL 911 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3fup s LYS 912 N -2.89 1.87 -0.11 1.45 2.20 -1.26 -4.97 119.74 116.02 3fup s LYS 912 Ca 0.55 -1.96 -0.40 0.00 -0.36 0.00 0.00 55.97 53.80 3fup s LYS 912 Cb -0.26 -3.45 -0.18 0.00 -1.51 0.00 0.00 37.83 32.44 3fup s LYS 912 CO 0.68 -1.04 1.41 0.98 -0.36 0.00 0.00 175.35 177.03 3fup n TYR 913 N 4.27 1.47 -0.09 4.03 9.36 -1.26 -0.96 117.16 133.98 3fup n TYR 913 Ca 0.01 0.80 -0.10 0.00 3.32 0.00 0.00 57.90 61.93 3fup n TYR 913 Cb 0.41 -2.29 -0.12 0.00 -0.63 0.00 0.00 39.34 36.71 3fup n TYR 913 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3fup n LYS 914 N 3.19 1.12 -3.91 2.98 5.02 0.13 -4.83 118.16 121.86 3fup n LYS 914 Ca 0.23 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3fup n LYS 914 Cb 0.11 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3fup n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fup n GLY 915 N 2.13 -0.96 3.34 0.72 0.00 -0.93 -5.01 105.19 104.48 3fup n GLY 915 Ca -0.29 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 3fup n GLY 915 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fup s VAL 916 N -3.00 1.04 -0.13 1.61 -7.23 -1.26 -0.65 120.40 110.78 3fup s VAL 916 Ca 0.00 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 3fup s VAL 916 Cb 0.00 -2.37 0.06 0.00 0.56 0.00 0.00 36.38 34.63 3fup s VAL 916 CO 0.00 -0.30 0.18 0.00 -0.31 0.00 0.00 175.10 174.67 3fup s TYR 918 N 2.30 3.68 0.00 0.00 2.02 -1.26 -0.02 117.35 124.06 3fup s TYR 918 Ca 0.04 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 3fup s TYR 918 Cb -0.14 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 3fup s TYR 918 CO -0.08 0.43 0.00 0.45 -1.57 0.00 0.00 175.55 174.78 3fup n SER 919 N 2.52 0.00 0.00 2.29 2.88 -1.26 -4.66 113.62 115.39 3fup n SER 919 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3fup n SER 919 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3fup n SER 919 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3fup n ASN 924 N 0.00 0.00 -4.70 -3.46 6.94 -1.26 -5.09 115.26 107.68 3fup n ASN 924 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 3fup n ASN 924 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 3fup n ASN 924 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3fup s LEU 925 N 0.00 4.34 0.01 -4.53 0.20 -1.26 -4.96 118.68 112.48 3fup s LEU 925 Ca 0.00 1.63 0.04 0.00 0.69 0.00 0.00 54.13 56.50 3fup s LEU 925 Cb 0.00 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.18 3fup s LEU 925 CO 0.00 -0.32 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.07 3fup s LYS 926 N 1.29 1.01 -0.26 1.98 1.02 0.96 -4.44 119.74 121.30 3fup s LYS 926 Ca 0.51 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.85 3fup s LYS 926 Cb -0.20 -0.99 -0.02 0.00 -0.52 0.00 0.00 37.83 36.10 3fup s LYS 926 CO 0.25 0.26 0.07 -1.17 -0.92 0.00 0.00 175.35 173.84 3fup s LEU 927 N -0.64 3.51 -0.26 3.17 2.96 0.40 -0.56 118.68 127.26 3fup s LEU 927 Ca 0.04 -0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 53.47 3fup s LEU 927 Cb -0.06 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3fup s LEU 927 CO 0.00 -0.07 0.39 -0.63 -1.32 0.00 0.00 176.35 174.72 3fup s ILE 928 N 1.59 5.17 0.35 6.68 -1.09 0.18 -0.64 121.20 133.43 3fup s ILE 928 Ca 0.06 0.60 0.09 0.00 -2.23 0.00 0.00 60.65 59.17 3fup s ILE 928 Cb -0.15 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3fup s ILE 928 CO 0.03 0.16 0.03 -0.04 -1.23 0.00 0.00 174.94 173.89 3fup s MET 929 N 2.03 2.11 0.39 2.79 -1.94 0.10 0.18 119.30 124.96 3fup s MET 929 Ca 0.16 -1.75 -0.26 0.00 -1.71 0.00 0.00 55.69 52.13 3fup s MET 929 Cb -0.16 -1.94 -0.11 0.00 2.01 0.00 0.00 34.83 34.63 3fup s MET 929 CO 0.10 0.12 1.19 -0.85 -0.01 0.00 0.00 175.02 175.57 3fup n GLU 930 N -0.98 1.79 -3.19 2.03 0.28 -0.13 -1.51 120.64 118.93 3fup n GLU 930 Ca -0.04 0.64 -0.39 0.00 -0.16 0.00 0.00 57.16 57.20 3fup n GLU 930 Cb 0.62 -2.25 -0.06 0.00 1.43 0.00 0.00 31.44 31.19 3fup n GLU 930 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3fup s TYR 931 N -1.18 3.43 -0.26 -1.84 5.04 -1.25 -4.26 117.35 117.03 3fup s TYR 931 Ca 0.60 0.91 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 3fup s TYR 931 Cb -0.55 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.03 3fup s TYR 931 CO 0.59 -0.05 0.08 -0.51 -1.34 0.00 0.00 175.55 174.32 3fup s LEU 932 N 1.41 3.54 0.16 6.97 1.43 -1.26 -4.98 118.68 125.95 3fup s LEU 932 Ca 0.28 -0.30 0.21 0.00 -1.03 0.00 0.00 54.13 53.29 3fup s LEU 932 Cb -0.16 -1.92 0.87 0.00 0.03 0.00 0.00 46.19 45.01 3fup s LEU 932 CO 0.11 -0.07 1.66 -0.81 0.23 0.00 0.00 176.35 177.47 3fup n PRO 933 N 4.92 0.13 0.00 1.29 -0.04 -1.26 -2.60 135.00 137.44 3fup n PRO 933 Ca -0.16 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 3fup n PRO 933 Cb 0.51 -1.73 0.23 0.00 -0.04 0.00 0.00 33.50 32.47 3fup n PRO 933 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fup n TYR 934 N -1.97 0.00 -4.04 0.54 4.01 -1.19 -5.08 117.16 109.44 3fup n TYR 934 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3fup n TYR 934 Cb 0.24 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3fup n TYR 934 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fup n GLY 935 N 1.31 -1.41 3.80 2.72 0.00 -1.07 -4.51 105.19 106.02 3fup n GLY 935 Ca 0.15 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3fup n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fup s SER 936 N -4.00 6.08 0.23 1.61 1.04 -1.26 -1.15 113.70 116.24 3fup s SER 936 Ca 0.00 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 3fup s SER 936 Cb 0.00 -2.55 0.21 0.00 0.10 0.00 0.00 66.02 63.79 3fup s SER 936 CO 0.00 -0.96 1.90 0.25 0.98 0.00 0.00 173.24 175.41 3fup h LEU 937 N 1.03 1.01 -0.53 2.42 6.46 -0.20 -0.21 115.31 125.29 3fup h LEU 937 Ca -0.48 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.35 3fup h LEU 937 Cb 1.22 -0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 40.79 3fup h LEU 937 CO 0.58 0.73 -0.34 -0.09 -0.62 0.00 0.00 178.44 178.70 3fup h ARG 938 N 1.19 -0.19 0.06 1.25 2.43 -1.74 0.72 114.38 118.11 3fup h ARG 938 Ca 0.33 0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.27 3fup h ARG 938 Cb -0.13 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3fup h ARG 938 CO -0.07 -0.13 -1.08 -0.44 -1.51 0.00 0.00 179.97 176.74 3fup h ASP 939 N -0.20 0.34 -0.36 -3.80 3.32 -1.78 -2.56 116.42 111.38 3fup h ASP 939 Ca 0.21 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fup h ASP 939 Cb 0.55 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3fup h ASP 939 CO -0.64 1.21 0.19 0.22 -1.72 0.00 0.00 179.24 178.50 3fup h TYR 940 N 0.09 0.51 -0.10 4.55 3.20 -0.78 -1.73 116.97 122.71 3fup h TYR 940 Ca -0.09 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.59 3fup h TYR 940 Cb 1.78 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 3fup h TYR 940 CO 0.05 0.41 -0.69 1.25 -1.64 0.00 0.00 178.16 177.54 3fup h LEU 941 N 0.45 0.50 0.01 2.82 5.85 -0.81 -2.16 115.31 121.96 3fup h LEU 941 Ca 0.13 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3fup h LEU 941 Cb 0.09 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3fup h LEU 941 CO -0.02 1.04 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.51 3fup h GLN 942 N 0.30 -0.02 0.00 1.25 4.15 -1.37 -3.08 115.11 116.35 3fup h GLN 942 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3fup h GLN 942 Cb 1.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 3fup h GLN 942 CO 0.12 0.04 -0.19 0.87 -1.93 0.00 0.00 178.83 177.74 3fup h LYS 943 N -0.07 0.00 -1.10 1.69 1.57 -1.20 -3.38 116.57 114.08 3fup h LYS 943 Ca -0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 3fup h LYS 943 Cb 0.07 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.97 3fup h LYS 943 CO 0.00 0.19 -1.06 0.72 -0.57 0.00 0.00 179.45 178.74 3fup n HIS 944 N -3.30 1.82 -0.07 -1.35 8.25 -0.82 -4.95 115.22 114.80 3fup n HIS 944 Ca 0.01 -2.82 -0.13 0.00 -0.26 0.00 0.00 57.72 54.52 3fup n HIS 944 Cb 0.44 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 3fup n HIS 944 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3fup h LYS 945 N 2.84 0.00 0.00 -0.41 2.10 -1.74 -2.48 116.57 116.88 3fup h LYS 945 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3fup h LYS 945 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3fup h LYS 945 CO 0.58 0.81 0.00 0.39 -2.00 0.00 0.00 179.45 179.23 3fup n GLU 946 N -4.61 0.00 -0.12 0.07 1.02 -1.26 -1.53 120.64 114.22 3fup n GLU 946 Ca -0.12 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.09 3fup n GLU 946 Cb 0.43 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 32.09 3fup n GLU 946 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fup n ARG 947 N 0.00 1.65 -3.96 3.49 1.74 -0.94 -4.74 116.66 113.90 3fup n ARG 947 Ca 0.00 -1.00 -0.31 0.00 -0.77 0.00 0.00 57.85 55.78 3fup n ARG 947 Cb 0.00 -1.28 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 3fup n ARG 947 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fup s ILE 948 N -1.69 1.79 0.61 0.55 1.01 -0.58 -5.07 121.20 117.83 3fup s ILE 948 Ca 0.24 -1.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.20 3fup s ILE 948 Cb 0.13 -2.15 0.05 0.00 0.01 0.00 0.00 42.46 40.50 3fup s ILE 948 CO 0.18 -0.33 0.87 1.51 0.00 0.00 0.00 174.94 177.17 3fup s ASP 949 N 1.22 5.03 0.33 3.58 -4.77 -1.26 -4.90 116.67 115.90 3fup s ASP 949 Ca 0.01 0.08 0.10 0.00 -3.30 0.00 0.00 52.55 49.45 3fup s ASP 949 Cb -0.19 -0.84 0.89 0.00 -1.09 0.00 0.00 42.92 41.69 3fup s ASP 949 CO -0.09 -1.36 1.75 0.45 0.70 0.00 0.00 175.17 176.62 3fup h HIS 950 N -0.19 0.95 -0.38 2.11 3.86 -1.99 -0.92 115.15 118.59 3fup h HIS 950 Ca -0.42 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.81 3fup h HIS 950 Cb 1.30 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 3fup h HIS 950 CO 0.29 0.12 0.20 0.82 0.86 0.00 0.00 177.93 180.21 3fup h ILE 951 N 0.59 1.16 -0.72 2.45 2.04 -1.98 -1.13 117.51 119.92 3fup h ILE 951 Ca 0.61 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 3fup h ILE 951 Cb 1.18 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3fup h ILE 951 CO -0.41 0.17 0.44 0.11 0.00 0.00 0.00 178.15 178.46 3fup h LYS 952 N 0.48 0.97 -0.56 2.37 1.79 -1.57 -1.78 116.57 118.27 3fup h LYS 952 Ca 0.13 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 3fup h LYS 952 Cb 0.09 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 3fup h LYS 952 CO -0.02 0.67 0.12 -0.07 -1.08 0.00 0.00 179.45 179.07 3fup h LEU 953 N 0.99 0.81 -0.40 2.94 3.38 -0.77 -0.78 115.31 121.48 3fup h LEU 953 Ca 0.26 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 3fup h LEU 953 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3fup h LEU 953 CO -0.05 0.81 -0.77 -0.07 0.09 0.00 0.00 178.44 178.45 3fup h LEU 954 N 0.83 0.38 -0.36 1.67 3.38 -0.88 -0.55 115.31 119.79 3fup h LEU 954 Ca 0.18 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3fup h LEU 954 Cb 0.33 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3fup h LEU 954 CO 0.00 1.01 0.12 -0.61 0.09 0.00 0.00 178.44 179.05 3fup h GLN 955 N 0.21 0.26 -0.25 1.13 4.15 -1.00 0.29 115.11 119.90 3fup h GLN 955 Ca -0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3fup h GLN 955 Cb 1.35 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 3fup h GLN 955 CO 0.12 0.17 0.14 1.88 -1.93 0.00 0.00 178.83 179.22 3fup h TYR 956 N 0.27 0.33 -0.70 3.99 0.05 -1.02 -1.94 116.97 117.95 3fup h TYR 956 Ca 0.16 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.04 3fup h TYR 956 Cb 0.14 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 37.70 3fup h TYR 956 CO -0.15 0.28 0.32 1.15 -1.05 0.00 0.00 178.16 178.71 3fup h THR 957 N 0.29 0.79 -0.41 -2.88 2.02 -0.89 0.24 112.91 112.08 3fup h THR 957 Ca 0.09 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3fup h THR 957 Cb 0.05 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 3fup h THR 957 CO -0.01 0.10 -0.17 -1.28 0.37 0.00 0.00 175.52 174.52 3fup h SER 958 N 0.53 0.77 0.14 4.18 0.87 -0.68 -1.87 113.55 117.48 3fup h SER 958 Ca 0.35 -0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 3fup h SER 958 Cb 0.43 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3fup h SER 958 CO -0.30 0.94 -0.56 1.56 -0.53 0.00 0.00 176.83 177.94 3fup h GLN 959 N 0.68 0.44 -0.43 2.24 4.20 -0.26 -2.14 115.11 119.84 3fup h GLN 959 Ca 0.11 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.56 3fup h GLN 959 Cb 0.67 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3fup h GLN 959 CO 0.05 0.88 0.24 0.82 -0.67 0.00 0.00 178.83 180.15 3fup h ILE 960 N 0.34 1.01 -0.66 2.54 2.04 -0.34 -2.21 117.51 120.24 3fup h ILE 960 Ca 0.00 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.75 3fup h ILE 960 Cb 1.08 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3fup h ILE 960 CO 0.10 0.09 0.37 0.00 0.00 0.00 0.00 178.15 178.71 3fup h LYS 962 N 0.69 0.74 0.03 0.00 1.57 -1.23 0.19 116.57 118.57 3fup h LYS 962 Ca 0.29 -0.19 -0.26 0.00 -1.87 0.00 0.00 60.65 58.62 3fup h LYS 962 Cb 0.15 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.39 3fup h LYS 962 CO -0.17 0.75 -1.04 0.78 -0.57 0.00 0.00 179.45 179.20 3fup h GLY 963 N 0.95 0.72 1.04 3.86 0.00 -1.09 -2.50 103.07 106.06 3fup h GLY 963 Ca 0.14 -1.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.07 3fup h GLY 963 CO 0.02 1.18 0.12 -0.33 0.00 0.00 0.00 176.54 177.52 3fup h MET 964 N 0.29 1.02 -0.64 4.80 2.86 -1.02 -2.05 114.93 120.20 3fup h MET 964 Ca -0.14 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.28 3fup h MET 964 Cb 1.71 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 3fup h MET 964 CO 0.20 0.94 0.42 1.49 1.06 0.00 0.00 176.91 181.03 3fup h GLU 965 N 0.93 0.67 -0.48 1.72 4.57 -0.57 -1.91 114.58 119.51 3fup h GLU 965 Ca 0.19 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.20 3fup h GLU 965 Cb 0.40 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3fup h GLU 965 CO 0.01 0.45 -0.22 -0.92 -1.18 0.00 0.00 179.01 177.15 3fup h TYR 966 N 0.69 1.14 0.05 0.92 3.20 -0.97 -1.13 116.97 120.87 3fup h TYR 966 Ca 0.26 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 61.89 3fup h TYR 966 Cb 0.17 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 3fup h TYR 966 CO -0.00 1.10 -0.35 -0.07 -1.64 0.00 0.00 178.16 177.20 3fup h LEU 967 N 0.86 -1.05 -1.44 2.82 4.07 -0.92 -2.29 115.31 117.35 3fup h LEU 967 Ca 0.11 0.13 0.20 0.00 0.08 0.00 0.00 57.88 58.40 3fup h LEU 967 Cb 0.80 0.41 -0.07 0.00 1.08 0.00 0.00 40.66 42.88 3fup h LEU 967 CO 0.07 -0.42 0.60 1.23 -1.08 0.00 0.00 178.44 178.84 3fup h GLY 968 N -0.54 1.00 0.22 0.83 0.00 -1.07 0.21 103.07 103.72 3fup h GLY 968 Ca 0.05 -0.21 0.22 0.00 0.00 0.00 0.00 47.33 47.38 3fup h GLY 968 CO -0.26 -0.01 0.62 -0.84 0.00 0.00 0.00 176.54 176.05 3fup h THR 969 N 0.47 0.64 -0.03 4.70 2.02 -0.62 -2.05 112.91 118.04 3fup h THR 969 Ca 0.48 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3fup h THR 969 Cb 1.11 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3fup h THR 969 CO -0.20 0.07 -0.08 0.29 0.37 0.00 0.00 175.52 175.97 3fup n LYS 970 N -4.51 1.99 -2.37 6.66 5.02 0.69 -4.95 118.16 120.69 3fup n LYS 970 Ca 0.20 -1.69 -0.12 0.00 -2.02 0.00 0.00 58.31 54.68 3fup n LYS 970 Cb 0.75 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3fup n LYS 970 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fup n ARG 971 N 1.05 -1.50 -3.38 1.97 1.74 -0.77 -4.99 116.66 110.78 3fup n ARG 971 Ca 0.12 0.54 -0.38 0.00 -0.77 0.00 0.00 57.85 57.36 3fup n ARG 971 Cb 0.54 -4.64 -0.07 0.00 -1.02 0.00 0.00 32.46 27.28 3fup n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3fup s TYR 972 N -2.67 3.42 -0.25 -1.55 2.02 -0.95 -2.23 117.35 115.13 3fup s TYR 972 Ca 0.05 0.70 -0.11 0.00 -0.37 0.00 0.00 57.07 57.35 3fup s TYR 972 Cb -0.02 -2.52 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 3fup s TYR 972 CO 0.07 0.07 0.17 0.42 -1.57 0.00 0.00 175.55 174.71 3fup s ILE 973 N 1.03 5.34 -0.01 2.71 -1.09 0.52 -4.05 121.20 125.64 3fup s ILE 973 Ca 0.21 0.18 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 3fup s ILE 973 Cb -0.15 -3.51 -0.11 0.00 -1.58 0.00 0.00 42.46 37.11 3fup s ILE 973 CO 0.08 0.31 0.82 -0.74 -1.23 0.00 0.00 174.94 174.18 3fup h HIS 974 N 7.83 -0.64 0.00 3.97 2.76 -1.88 0.03 115.15 127.23 3fup h HIS 974 Ca -0.37 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 3fup h HIS 974 Cb 1.18 0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.35 3fup h HIS 974 CO 0.70 -0.40 0.00 0.54 -1.30 0.00 0.00 177.93 177.48 3fup n ARG 975 N -5.09 0.00 -2.64 5.26 1.74 -1.26 -2.16 116.66 112.51 3fup n ARG 975 Ca -0.09 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 3fup n ARG 975 Cb 0.27 -1.23 0.11 0.00 -1.02 0.00 0.00 32.46 30.59 3fup n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fup n ASP 976 N 0.00 -1.02 -4.66 0.55 2.03 -1.26 -4.99 116.55 107.20 3fup n ASP 976 Ca 0.00 -2.18 -0.42 0.00 0.52 0.00 0.00 54.79 52.70 3fup n ASP 976 Cb 0.00 0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 3fup n ASP 976 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fup s LEU 977 N -3.94 4.30 -0.22 -2.67 1.43 -1.26 -4.82 118.68 111.50 3fup s LEU 977 Ca 0.11 2.17 -0.28 0.00 -1.03 0.00 0.00 54.13 55.10 3fup s LEU 977 Cb 0.42 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 43.23 3fup s LEU 977 CO -0.11 -0.89 1.05 0.00 0.23 0.00 0.00 176.35 176.63 3fup s ALA 978 N 3.81 -1.97 0.57 4.21 0.00 -1.26 -4.77 121.76 122.35 3fup s ALA 978 Ca 0.70 1.73 0.27 0.00 0.00 0.00 0.00 51.96 54.66 3fup s ALA 978 Cb -0.32 -1.12 1.54 0.00 0.00 0.00 0.00 23.12 23.22 3fup s ALA 978 CO 0.27 -0.26 2.03 1.79 0.00 0.00 0.00 175.76 179.60 3fup h THR 979 N 3.02 0.54 0.00 0.00 1.35 -1.92 0.76 112.91 116.65 3fup h THR 979 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3fup h THR 979 Cb 1.17 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3fup h THR 979 CO 0.21 0.00 0.00 0.08 -0.25 0.00 0.00 175.52 175.56 3fup h ARG 980 N 0.00 0.00 -0.02 4.72 0.11 -1.95 -2.07 114.38 115.17 3fup h ARG 980 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 3fup h ARG 980 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 3fup h ARG 980 CO -0.00 0.00 -0.08 0.09 0.10 0.00 0.00 179.97 180.08 3fup n ASN 981 N -2.30 2.03 -4.84 0.08 3.02 0.25 -4.82 115.26 108.69 3fup n ASN 981 Ca 0.01 -1.51 -0.37 0.00 -0.03 0.00 0.00 54.58 52.68 3fup n ASN 981 Cb 0.16 0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 3fup n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fup s ILE 982 N -1.37 4.94 -0.02 2.41 -1.09 -0.80 -0.63 121.20 124.64 3fup s ILE 982 Ca 0.16 0.82 0.07 0.00 -2.23 0.00 0.00 60.65 59.47 3fup s ILE 982 Cb 0.12 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 3fup s ILE 982 CO 0.23 0.41 -0.23 -0.22 -1.23 0.00 0.00 174.94 173.90 3fup s LEU 983 N -1.54 2.05 -0.35 2.97 2.96 0.15 0.18 118.68 125.10 3fup s LEU 983 Ca 0.31 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 3fup s LEU 983 Cb -0.16 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 3fup s LEU 983 CO 0.17 0.28 0.33 -0.69 -1.32 0.00 0.00 176.35 175.12 3fup s VAL 984 N -0.54 5.20 -0.10 1.68 1.01 -0.30 -0.31 120.40 127.03 3fup s VAL 984 Ca 0.09 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3fup s VAL 984 Cb -0.09 -3.82 -0.25 0.00 0.00 0.00 0.00 36.38 32.22 3fup s VAL 984 CO -0.01 -0.12 0.90 -0.08 0.00 0.00 0.00 175.10 175.80 3fup h GLU 985 N 8.51 0.04 0.00 2.72 4.81 -0.66 -3.14 114.58 126.86 3fup h GLU 985 Ca -0.30 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 3fup h GLU 985 Cb 1.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3fup h GLU 985 CO 0.69 0.90 -0.02 0.27 -0.73 0.00 0.00 179.01 180.12 3fup n ASN 986 N -4.62 -0.40 0.21 1.04 0.23 -1.16 -4.53 115.26 106.03 3fup n ASN 986 Ca -0.10 -1.50 0.15 0.00 -0.53 0.00 0.00 54.58 52.60 3fup n ASN 986 Cb 0.46 0.74 0.78 0.00 -2.08 0.00 0.00 39.78 39.67 3fup n ASN 986 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3fup h GLU 987 N 0.00 0.00 -0.09 -3.83 4.81 -2.03 -2.71 114.58 110.72 3fup h GLU 987 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3fup h GLU 987 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3fup h GLU 987 CO 0.10 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.47 3fup n ASN 988 N -4.08 2.10 -3.68 1.04 3.02 -1.26 -5.01 115.26 107.39 3fup n ASN 988 Ca 0.00 -1.57 -0.14 0.00 -0.03 0.00 0.00 54.58 52.84 3fup n ASN 988 Cb 0.24 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.22 3fup n ASN 988 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3fup s ARG 989 N -0.89 0.11 0.17 3.52 3.52 -1.02 -4.93 118.95 119.43 3fup s ARG 989 Ca 0.14 0.62 0.08 0.00 -0.13 0.00 0.00 55.73 56.45 3fup s ARG 989 Cb 0.09 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 3fup s ARG 989 CO 0.13 -0.26 -0.09 0.14 -0.81 0.00 0.00 175.30 174.41 3fup s VAL 990 N 2.08 3.26 0.04 7.11 -7.23 -1.26 0.11 120.40 124.51 3fup s VAL 990 Ca -0.01 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 3fup s VAL 990 Cb -0.12 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3fup s VAL 990 CO -0.07 -0.08 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.97 3fup s LYS 991 N -2.75 0.85 0.09 4.82 1.02 0.57 -4.55 119.74 119.79 3fup s LYS 991 Ca 0.24 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 55.15 3fup s LYS 991 Cb -0.09 -0.84 -0.08 0.00 -0.52 0.00 0.00 37.83 36.30 3fup s LYS 991 CO 0.15 0.20 1.47 0.42 -0.92 0.00 0.00 175.35 176.67 3fup s ILE 992 N -0.95 3.23 -0.19 2.17 1.01 -0.01 0.33 121.20 126.79 3fup s ILE 992 Ca -0.00 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.50 3fup s ILE 992 Cb -0.08 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3fup s ILE 992 CO 0.01 0.04 0.18 0.61 0.00 0.00 0.00 174.94 175.78 3fup n GLY 993 N 3.66 0.58 3.51 6.18 0.00 0.19 -0.36 105.19 118.96 3fup n GLY 993 Ca 0.13 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3fup n GLY 993 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fup s ASP 994 N -1.42 -0.63 -0.09 1.61 2.15 -1.23 -4.90 116.67 112.15 3fup s ASP 994 Ca 0.01 1.12 0.15 0.00 0.43 0.00 0.00 52.55 54.27 3fup s ASP 994 Cb 0.03 1.13 0.33 0.00 -0.30 0.00 0.00 42.92 44.10 3fup s ASP 994 CO 0.17 -0.28 1.15 0.49 -0.17 0.00 0.00 175.17 176.53 3fup n PHE 995 N 2.42 0.00 0.09 -5.34 3.72 -1.26 -4.94 117.46 112.15 3fup n PHE 995 Ca -0.15 -0.81 0.17 0.00 -0.05 0.00 0.00 57.45 56.61 3fup n PHE 995 Cb 0.56 -0.16 0.71 0.00 -0.94 0.00 0.00 39.48 39.64 3fup n PHE 995 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3fup h GLY 996 N 0.65 0.00 -0.58 1.37 0.00 -1.94 -2.54 103.07 100.02 3fup h GLY 996 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3fup h GLY 996 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 3fup n LEU 997 N -4.28 1.70 -4.75 3.11 4.77 -1.26 -4.99 117.00 111.30 3fup n LEU 997 Ca 0.06 -1.12 -0.41 0.00 -0.03 0.00 0.00 56.01 54.50 3fup n LEU 997 Cb 0.45 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 3fup n LEU 997 CO 0.34 0.36 1.06 -0.89 -1.33 0.00 0.00 177.39 176.94 3fup s THR 998 N -0.63 2.73 0.26 -5.08 2.01 -0.92 -4.60 115.64 109.41 3fup s THR 998 Ca 0.09 0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.78 3fup s THR 998 Cb 0.06 -3.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3fup s THR 998 CO 0.09 0.11 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.53 3fup s LYS 999 N -0.66 1.48 -0.40 4.92 -0.14 -0.00 -4.90 119.74 120.03 3fup s LYS 999 Ca 0.57 -1.74 -0.19 0.00 -1.36 0.00 0.00 55.97 53.25 3fup s LYS 999 Cb -0.41 -1.03 0.01 0.00 -1.68 0.00 0.00 37.83 34.73 3fup s LYS 999 CO 0.45 0.02 0.53 0.08 -0.76 0.00 0.00 175.35 175.67 3fup s VAL 1000N -3.10 4.98 0.00 3.17 1.01 -1.26 -0.36 120.40 124.84 3fup s VAL 1000Ca 0.28 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3fup s VAL 1000Cb 0.04 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3fup s VAL 1000CO 0.10 -0.41 0.00 0.18 0.00 0.00 0.00 175.10 174.98 3fup n LEU 1001N 5.86 0.00 -1.03 3.92 4.77 -0.95 -4.94 117.00 124.64 3fup n LEU 1001Ca -0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 3fup n LEU 1001Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3fup n LEU 1001CO 0.48 0.00 -0.47 -0.81 -1.33 0.00 0.00 177.39 175.26 3fup n PRO 1002N 0.00 0.00 0.00 3.23 -0.04 -1.26 -4.94 135.00 131.98 3fup n PRO 1002Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3fup n PRO 1002Cb 0.00 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 3fup n PRO 1002CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3fup n GLN 1003N 0.64 -0.44 -0.00 0.54 7.27 -1.26 -3.86 117.38 120.27 3fup n GLN 1003Ca -0.01 -0.41 0.07 0.00 0.07 0.00 0.00 57.00 56.73 3fup n GLN 1003Cb 0.17 -0.83 -0.08 0.00 2.41 0.00 0.00 30.24 31.91 3fup n GLN 1003CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3fup n ASP 1004N -0.03 0.71 -4.26 1.69 5.75 -1.26 -5.08 116.55 114.07 3fup n ASP 1004Ca 0.00 -0.81 -0.27 0.00 -0.01 0.00 0.00 54.79 53.71 3fup n ASP 1004Cb 0.10 1.02 -0.15 0.00 -1.03 0.00 0.00 41.12 41.07 3fup n ASP 1004CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3fup s LYS 1005N -2.37 1.55 -0.41 0.11 -0.14 -1.25 -5.28 119.74 111.94 3fup s LYS 1005Ca 0.05 -0.91 0.05 0.00 -1.36 0.00 0.00 55.97 53.80 3fup s LYS 1005Cb 0.11 -1.62 0.67 0.00 -1.68 0.00 0.00 37.83 35.31 3fup s LYS 1005CO 0.59 0.42 1.88 0.39 -0.76 0.00 0.00 175.35 177.87 3fup n GLU 1006N 2.06 2.54 -3.59 1.68 -0.58 -1.26 -4.56 120.64 116.93 3fup n GLU 1006Ca -0.17 -2.96 -0.00 0.00 -0.42 0.00 0.00 57.16 53.61 3fup n GLU 1006Cb 0.53 -2.16 -0.04 0.00 -0.57 0.00 0.00 31.44 29.20 3fup n GLU 1006CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3fup s LYS 1009N -3.16 0.58 -0.08 3.49 1.02 -1.26 -4.56 119.74 115.77 3fup s LYS 1009Ca 0.55 1.41 -0.04 0.00 0.02 0.00 0.00 55.97 57.91 3fup s LYS 1009Cb 0.46 0.84 0.04 0.00 -0.52 0.00 0.00 37.83 38.65 3fup s LYS 1009CO 0.11 -0.25 0.19 0.54 -0.92 0.00 0.00 175.35 175.02 3fup s VAL 1010N 2.89 -0.04 -0.17 3.17 0.11 -0.85 -5.02 120.40 120.49 3fup s VAL 1010Ca -0.03 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 3fup s VAL 1010Cb -0.12 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3fup s VAL 1010CO -0.19 0.07 -0.11 -0.75 -3.33 0.00 0.00 175.10 170.78 3fup s LYS 1011N 1.18 2.06 -0.05 1.54 2.47 -1.26 -4.86 119.74 120.82 3fup s LYS 1011Ca -0.09 -0.66 -0.01 0.00 -1.56 0.00 0.00 55.97 53.66 3fup s LYS 1011Cb -0.11 -2.20 -0.03 0.00 -1.46 0.00 0.00 37.83 34.03 3fup s LYS 1011CO -0.07 -0.34 0.01 -1.21 0.16 0.00 0.00 175.35 173.91 3fup s GLU 1012N 1.48 2.94 0.29 4.03 2.02 -1.26 -5.07 118.70 123.13 3fup s GLU 1012Ca 0.02 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.26 3fup s GLU 1012Cb -0.14 -2.77 -0.14 0.00 0.10 0.00 0.00 34.13 31.18 3fup s GLU 1012CO -0.09 0.68 1.12 -0.35 0.02 0.00 0.00 175.26 176.64 3fup n PRO 1013N 1.82 1.60 0.00 0.39 -0.04 -1.26 -4.71 135.00 132.80 3fup n PRO 1013Ca -0.17 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3fup n PRO 1013Cb 0.53 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3fup n PRO 1013CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fup n GLY 1014N 1.23 0.37 3.53 0.55 0.00 -1.26 -4.90 105.19 104.70 3fup n GLY 1014Ca 0.09 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3fup n GLY 1014CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fup s GLU 1015N 0.00 3.82 0.01 1.61 0.41 -1.26 -5.09 118.70 118.19 3fup s GLU 1015Ca 0.00 -0.40 -0.01 0.00 -0.41 0.00 0.00 54.97 54.15 3fup s GLU 1015Cb 0.00 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.88 3fup s GLU 1015CO 0.00 -0.11 0.15 -1.12 -0.49 0.00 0.00 175.26 173.69 3fup s SER 1016N 1.47 6.09 -1.17 -0.19 0.01 -1.26 -5.01 113.70 113.63 3fup s SER 1016Ca 0.06 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 57.40 3fup s SER 1016Cb -0.15 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 3fup s SER 1016CO 0.06 0.25 2.11 -0.81 0.41 0.00 0.00 173.24 175.26 3fup n PRO 1017N 0.91 2.29 0.30 12.44 -0.04 -1.26 -4.75 135.00 144.89 3fup n PRO 1017Ca -0.11 -2.27 0.18 0.00 -0.04 0.00 0.00 63.50 61.26 3fup n PRO 1017Cb 0.52 -3.12 0.91 0.00 -0.04 0.00 0.00 33.50 31.77 3fup n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3fup h ILE 1018N 4.18 0.17 -0.00 0.52 3.07 -1.97 -2.06 117.51 121.43 3fup h ILE 1018Ca 0.51 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.61 3fup h ILE 1018Cb 0.64 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3fup h ILE 1018CO 1.92 0.03 -0.02 0.49 -1.05 0.00 0.00 178.15 179.52 3fup n PHE 1019N -3.26 0.00 0.71 0.16 3.72 -1.26 -2.29 117.46 115.24 3fup n PHE 1019Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 3fup n PHE 1019Cb 0.19 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3fup n PHE 1019CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3fup n TRP 1020N -0.97 0.00 -2.73 1.38 8.01 -0.78 -4.87 117.44 117.47 3fup n TRP 1020Ca 0.19 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 56.00 3fup n TRP 1020Cb 0.19 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.44 3fup n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3fup s TYR 1021N -1.92 3.76 0.56 -5.99 1.51 -0.97 -4.15 117.35 110.15 3fup s TYR 1021Ca 0.13 1.82 -0.18 0.00 -1.01 0.00 0.00 57.07 57.82 3fup s TYR 1021Cb 0.13 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 38.94 3fup s TYR 1021CO 0.42 0.18 1.10 0.00 -1.11 0.00 0.00 175.55 176.13 3fup s ALA 1022N -1.43 2.69 0.29 3.71 0.00 -1.26 -4.88 121.76 120.88 3fup s ALA 1022Ca 0.47 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 3fup s ALA 1022Cb -0.23 -3.31 0.44 0.00 0.00 0.00 0.00 23.12 20.02 3fup s ALA 1022CO 0.28 -0.78 1.94 -1.35 0.00 0.00 0.00 175.76 175.85 3fup h PRO 1023N 0.94 1.10 0.00 0.00 0.11 -1.94 -0.91 132.00 131.30 3fup h PRO 1023Ca -0.49 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 3fup h PRO 1023Cb 1.24 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3fup h PRO 1023CO 0.57 0.73 -0.04 1.05 -0.21 0.00 0.00 178.00 180.10 3fup h GLU 1024N 1.14 0.00 0.00 1.05 9.09 -1.92 -1.01 114.58 122.93 3fup h GLU 1024Ca 0.35 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.57 3fup h GLU 1024Cb -0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 3fup h GLU 1024CO -0.10 0.04 -1.02 0.77 0.05 0.00 0.00 179.01 178.75 3fup h SER 1025N 0.00 0.00 -0.02 3.06 0.02 -1.26 0.24 113.55 115.59 3fup h SER 1025Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3fup h SER 1025Cb 0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.68 3fup h SER 1025CO 0.00 0.82 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.92 3fup h LEU 1026N 0.00 0.50 0.10 5.07 3.38 -0.82 -2.63 115.31 120.90 3fup h LEU 1026Ca -0.07 -0.74 -0.36 0.00 0.09 0.00 0.00 57.88 56.81 3fup h LEU 1026Cb 1.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 3fup h LEU 1026CO 0.10 1.17 -1.99 0.35 0.09 0.00 0.00 178.44 178.15 3fup n THR 1027N -4.27 1.74 0.32 0.22 -2.24 -0.49 -4.52 114.28 105.04 3fup n THR 1027Ca -0.10 -0.67 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 3fup n THR 1027Cb 0.63 -1.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.25 3fup n THR 1027CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fup n GLU 1028N -3.40 2.55 -2.13 -0.78 1.02 0.78 -4.99 120.64 113.69 3fup n GLU 1028Ca -0.31 -0.45 -0.17 0.00 -0.02 0.00 0.00 57.16 56.21 3fup n GLU 1028Cb 1.05 -0.97 -0.02 0.00 -0.02 0.00 0.00 31.44 31.47 3fup n GLU 1028CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3fup n SER 1029N -0.41 -5.00 -4.69 1.62 7.64 -0.88 -4.91 113.62 106.99 3fup n SER 1029Ca 0.03 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 3fup n SER 1029Cb 0.14 -4.08 -0.09 0.00 -1.01 0.00 0.00 64.21 59.18 3fup n SER 1029CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3fup s LYS 1030N -4.52 4.13 -0.04 1.43 1.02 -1.14 -2.00 119.74 118.62 3fup s LYS 1030Ca 0.00 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 55.90 3fup s LYS 1030Cb 0.00 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 3fup s LYS 1030CO 0.00 0.12 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.25 3fup s PHE 1031N 0.87 2.43 0.23 3.18 0.08 -1.26 -3.69 117.98 119.82 3fup s PHE 1031Ca 0.10 -0.52 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 3fup s PHE 1031Cb -0.13 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3fup s PHE 1031CO 0.03 -0.09 0.51 -1.54 -0.10 0.00 0.00 175.22 174.04 3fup s SER 1032N -0.42 -0.15 0.31 1.36 1.04 -1.26 -4.73 113.70 109.85 3fup s SER 1032Ca 0.04 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.78 3fup s SER 1032Cb -0.12 0.59 0.86 0.00 0.10 0.00 0.00 66.02 67.46 3fup s SER 1032CO 0.01 -1.13 1.60 0.58 0.98 0.00 0.00 173.24 175.29 3fup h VAL 1033N 2.22 0.13 -0.36 5.02 2.07 -1.90 -0.23 116.25 123.20 3fup h VAL 1033Ca -0.26 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3fup h VAL 1033Cb 1.25 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3fup h VAL 1033CO 0.35 0.02 -0.08 0.00 0.02 0.00 0.00 177.57 177.87 3fup h ALA 1034N 1.91 1.19 0.00 1.67 0.00 -1.92 0.80 119.26 122.91 3fup h ALA 1034Ca 0.63 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3fup h ALA 1034Cb 1.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3fup h ALA 1034CO -0.79 0.52 -0.29 0.66 0.00 0.00 0.00 179.25 179.35 3fup h SER 1035N 0.56 0.00 -0.07 0.00 4.64 -1.46 -1.26 113.55 115.95 3fup h SER 1035Ca 0.10 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3fup h SER 1035Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3fup h SER 1035CO 0.03 0.29 -0.37 0.44 -0.87 0.00 0.00 176.83 176.34 3fup h ASP 1036N 0.00 0.60 -0.39 4.97 3.32 0.61 -2.23 116.42 123.29 3fup h ASP 1036Ca -0.00 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.67 3fup h ASP 1036Cb 0.62 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3fup h ASP 1036CO 0.04 0.92 -0.22 0.58 -1.72 0.00 0.00 179.24 178.83 3fup h VAL 1037N 0.48 1.28 -0.41 -1.35 2.07 -0.63 0.52 116.25 118.20 3fup h VAL 1037Ca 0.05 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.28 3fup h VAL 1037Cb 0.86 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 3fup h VAL 1037CO 0.07 0.46 -0.30 -0.25 0.02 0.00 0.00 177.57 177.57 3fup h TRP 1038N 0.66 -0.83 -0.61 1.57 2.91 -1.00 -1.85 115.95 116.80 3fup h TRP 1038Ca 0.08 0.06 -0.04 0.00 1.13 0.00 0.00 58.89 60.12 3fup h TRP 1038Cb 0.79 0.43 -0.03 0.00 -0.51 0.00 0.00 29.16 29.84 3fup h TRP 1038CO 0.06 -0.37 0.21 0.77 -1.03 0.00 0.00 178.44 178.08 3fup h SER 1039N -0.23 0.84 -0.73 2.65 0.02 -0.94 -2.03 113.55 113.13 3fup h SER 1039Ca 0.18 -0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 3fup h SER 1039Cb 0.52 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.77 3fup h SER 1039CO -0.54 0.78 0.37 0.15 -1.14 0.00 0.00 176.83 176.44 3fup h PHE 1040N 0.88 0.65 -0.84 3.45 3.57 0.63 -0.82 116.94 124.47 3fup h PHE 1040Ca 0.20 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.82 3fup h PHE 1040Cb 0.23 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 3fup h PHE 1040CO 0.02 0.22 0.50 0.78 -2.23 0.00 0.00 178.31 177.60 3fup h GLY 1041N 0.61 1.30 1.09 2.40 0.00 -0.61 -0.68 103.07 107.18 3fup h GLY 1041Ca 0.37 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3fup h GLY 1041CO -0.28 0.17 0.18 -2.08 0.00 0.00 0.00 176.54 174.53 3fup h VAL 1042N 0.85 1.26 -0.64 4.60 2.07 -1.24 -0.39 116.25 122.77 3fup h VAL 1042Ca 0.40 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3fup h VAL 1042Cb 0.32 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3fup h VAL 1042CO -0.23 0.37 0.33 0.58 0.02 0.00 0.00 177.57 178.65 3fup h VAL 1043N 1.07 0.94 -0.42 2.57 2.07 -0.21 -0.35 116.25 121.91 3fup h VAL 1043Ca 0.22 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3fup h VAL 1043Cb 0.36 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3fup h VAL 1043CO -0.00 0.11 -0.12 0.25 0.02 0.00 0.00 177.57 177.83 3fup h LEU 1044N 0.62 0.84 -0.31 2.57 5.85 -0.83 -0.68 115.31 123.37 3fup h LEU 1044Ca 0.29 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3fup h LEU 1044Cb 0.21 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3fup h LEU 1044CO -0.20 1.02 0.00 0.22 -0.34 0.00 0.00 178.44 179.14 3fup h TYR 1045N 0.65 -0.01 -0.46 1.25 3.20 -0.79 -1.99 116.97 118.81 3fup h TYR 1045Ca 0.10 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3fup h TYR 1045Cb 0.66 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3fup h TYR 1045CO 0.05 -0.05 0.10 0.93 -1.64 0.00 0.00 178.16 177.55 3fup h GLU 1046N 0.09 0.23 -0.15 1.82 5.08 -0.46 -0.57 114.58 120.61 3fup h GLU 1046Ca 0.15 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3fup h GLU 1046Cb 0.20 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3fup h GLU 1046CO -0.25 0.15 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.78 3fup h LEU 1047N 0.23 -0.21 -1.65 1.33 3.38 -0.97 -2.18 115.31 115.24 3fup h LEU 1047Ca 0.23 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3fup h LEU 1047Cb 0.28 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fup h LEU 1047CO -0.29 -0.08 0.00 -0.26 0.09 0.00 0.00 178.44 177.90 3fup h PHE 1048N -0.04 0.00 -0.00 1.13 0.04 -0.61 -1.00 116.94 116.45 3fup h PHE 1048Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3fup h PHE 1048Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3fup h PHE 1048CO -0.21 0.00 -0.08 0.25 -0.60 0.00 0.00 178.31 177.68 3fup n THR 1049N -2.98 0.00 -2.07 -1.55 -2.24 -0.29 -4.69 114.28 100.45 3fup n THR 1049Ca 0.00 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3fup n THR 1049Cb 0.25 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3fup n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3fup n TYR 1050N -1.17 -0.81 -3.84 4.78 4.01 -0.38 -2.04 117.16 117.71 3fup n TYR 1050Ca 0.13 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.62 3fup n TYR 1050Cb 0.27 -3.28 0.02 0.00 -0.31 0.00 0.00 39.34 36.04 3fup n TYR 1050CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3fup n ILE 1051N -3.12 -3.30 -2.23 -0.72 2.08 -1.19 -4.22 119.36 106.67 3fup n ILE 1051Ca -0.19 -0.33 -0.42 0.00 0.56 0.00 0.00 62.75 62.37 3fup n ILE 1051Cb 0.62 -3.18 -0.03 0.00 -0.75 0.00 0.00 39.64 36.30 3fup n ILE 1051CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3fup s GLU 1052N -6.33 4.33 0.12 0.38 2.12 -0.86 -4.87 118.70 113.59 3fup s GLU 1052Ca 0.24 2.00 -0.16 0.00 0.36 0.00 0.00 54.97 57.40 3fup s GLU 1052Cb -0.12 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3fup s GLU 1052CO 0.84 -0.43 1.64 0.87 -0.54 0.00 0.00 175.26 177.64 3fup h LYS 1053N 7.00 0.56 0.00 4.30 1.57 -1.92 0.79 116.57 128.87 3fup h LYS 1053Ca -0.41 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3fup h LYS 1053Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3fup h LYS 1053CO 0.86 0.58 0.00 -1.13 -0.57 0.00 0.00 179.45 179.19 3fup n SER 1054N -4.64 0.29 -0.24 0.86 3.41 -1.26 -2.60 113.62 109.43 3fup n SER 1054Ca -0.01 0.62 0.05 0.00 -0.26 0.00 0.00 58.87 59.27 3fup n SER 1054Cb 0.17 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 3fup n SER 1054CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fup n LYS 1055N -1.88 1.91 -1.56 4.33 4.76 0.24 -4.45 118.16 121.51 3fup n LYS 1055Ca -0.00 -0.65 -0.37 0.00 -2.87 0.00 0.00 58.31 54.41 3fup n LYS 1055Cb 0.04 -1.09 0.06 0.00 -1.84 0.00 0.00 35.03 32.20 3fup n LYS 1055CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3fup n SER 1056N -0.17 0.35 -0.25 4.39 3.41 -1.01 -4.62 113.62 115.72 3fup n SER 1056Ca 0.04 0.77 -0.04 0.00 -0.26 0.00 0.00 58.87 59.38 3fup n SER 1056Cb 0.21 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 62.83 3fup n SER 1056CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3fup h PRO 1057N 0.31 -0.12 -0.08 4.33 0.11 -1.93 0.96 132.00 135.59 3fup h PRO 1057Ca -0.48 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 3fup h PRO 1057Cb 1.37 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.46 3fup h PRO 1057CO 0.49 -0.08 -0.21 -1.35 -0.21 0.00 0.00 178.00 176.64 3fup h PRO 1058N -0.12 -0.29 -0.22 1.05 0.11 -1.91 0.21 132.00 130.83 3fup h PRO 1058Ca 0.26 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.45 3fup h PRO 1058Cb 0.56 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.67 3fup h PRO 1058CO -0.76 -0.19 -0.21 0.00 -0.21 0.00 0.00 178.00 176.63 3fup h ALA 1059N 0.65 -0.09 0.34 -0.75 0.00 -1.77 0.72 119.26 118.35 3fup h ALA 1059Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fup h ALA 1059Cb 0.41 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fup h ALA 1059CO -0.25 -0.64 -0.20 0.93 0.00 0.00 0.00 179.25 179.10 3fup h GLU 1060N -0.22 -0.50 -0.59 0.00 4.39 -0.47 -0.05 114.58 117.15 3fup h GLU 1060Ca 0.13 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3fup h GLU 1060Cb 0.42 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3fup h GLU 1060CO -0.35 -0.33 0.38 0.74 -1.16 0.00 0.00 179.01 178.29 3fup h PHE 1061N -0.51 0.75 -0.55 4.33 0.04 -0.28 -0.23 116.94 120.48 3fup h PHE 1061Ca -0.04 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.78 3fup h PHE 1061Cb 0.42 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 3fup h PHE 1061CO -0.08 0.48 0.32 0.52 -0.60 0.00 0.00 178.31 178.95 3fup h MET 1062N 0.79 0.60 -0.33 1.51 2.86 0.63 0.25 114.93 121.24 3fup h MET 1062Ca 0.21 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 3fup h MET 1062Cb -0.07 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.42 3fup h MET 1062CO -0.04 0.40 0.10 0.00 1.06 0.00 0.00 176.91 178.42 3fup h ARG 1063N 0.62 0.23 -0.46 1.72 3.08 -0.65 0.27 114.38 119.18 3fup h ARG 1063Ca 0.23 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3fup h ARG 1063Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3fup h ARG 1063CO -0.13 0.15 0.31 0.52 -1.07 0.00 0.00 179.97 179.75 3fup h MET 1064N 0.23 0.57 0.07 0.04 2.86 -0.36 -3.04 114.93 115.31 3fup h MET 1064Ca 0.15 -0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.47 3fup h MET 1064Cb 0.13 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3fup h MET 1064CO -0.16 0.38 -1.42 0.82 1.06 0.00 0.00 176.91 177.58 3fup h ILE 1065N 0.59 1.25 0.00 -1.22 2.04 -0.11 -3.50 117.51 116.55 3fup h ILE 1065Ca 0.18 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 63.09 3fup h ILE 1065Cb -0.01 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3fup h ILE 1065CO -0.04 0.80 0.00 0.61 0.00 0.00 0.00 178.15 179.52 3fup n GLY 1066N 1.57 0.56 0.00 5.37 0.00 0.90 -4.60 105.19 108.99 3fup n GLY 1066Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3fup n GLY 1066CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fup n ASN 1067N 0.00 0.00 -0.20 1.61 3.02 -1.08 -0.38 115.26 118.23 3fup n ASN 1067Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 3fup n ASN 1067Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 3fup n ASN 1067CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fup n ASP 1068N -0.70 2.29 0.00 6.41 8.00 -1.26 -4.79 116.55 126.49 3fup n ASP 1068Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3fup n ASP 1068Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3fup n ASP 1068CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fup n LYS 1069N -0.18 0.00 -0.07 -1.24 4.01 0.49 -5.10 118.16 116.07 3fup n LYS 1069Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 3fup n LYS 1069Cb 0.30 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.64 3fup n LYS 1069CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3fup n GLN 1070N 0.00 0.00 0.00 1.97 1.13 -1.26 -5.04 117.38 114.18 3fup n GLN 1070Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3fup n GLN 1070Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3fup n GLN 1070CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fup n GLY 1071N 0.00 0.76 0.01 1.08 0.00 -1.26 -4.69 105.19 101.08 3fup n GLY 1071Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fup n GLY 1071CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fup n GLN 1072N -0.88 3.15 0.00 1.61 6.02 -1.26 -4.48 117.38 121.54 3fup n GLN 1072Ca 0.00 -0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.14 3fup n GLN 1072Cb 0.00 -1.03 0.88 0.00 1.02 0.00 0.00 30.24 31.10 3fup n GLN 1072CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3fup n MET 1073N -1.96 0.97 -0.17 -1.09 2.81 -1.26 -3.81 117.12 112.60 3fup n MET 1073Ca -0.02 -0.09 -0.02 0.00 -1.81 0.00 0.00 57.70 55.77 3fup n MET 1073Cb 0.46 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.53 3fup n MET 1073CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3fup h ILE 1074N 0.21 0.52 -0.45 2.02 2.04 -1.84 0.38 117.51 120.40 3fup h ILE 1074Ca 0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3fup h ILE 1074Cb 0.09 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3fup h ILE 1074CO 0.00 0.01 0.27 0.58 0.00 0.00 0.00 178.15 179.01 3fup h VAL 1075N 0.06 1.04 0.02 1.67 2.07 -1.89 -1.16 116.25 118.07 3fup h VAL 1075Ca 0.27 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3fup h VAL 1075Cb 0.42 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3fup h VAL 1075CO -0.49 0.10 -0.14 0.15 0.02 0.00 0.00 177.57 177.20 3fup h PHE 1076N 0.53 -0.36 -0.22 1.57 3.57 -1.18 -1.25 116.94 119.60 3fup h PHE 1076Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3fup h PHE 1076Cb 0.02 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3fup h PHE 1076CO -0.07 -0.21 0.07 0.45 -2.23 0.00 0.00 178.31 176.32 3fup h HIS 1077N -0.25 0.30 0.01 0.41 3.86 -0.20 -1.12 115.15 118.15 3fup h HIS 1077Ca 0.04 -0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.05 3fup h HIS 1077Cb 0.30 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3fup h HIS 1077CO -0.19 0.26 -0.88 1.25 0.86 0.00 0.00 177.93 179.23 3fup h LEU 1078N 0.31 0.21 -0.74 2.43 5.85 -0.91 -0.17 115.31 122.29 3fup h LEU 1078Ca 0.08 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3fup h LEU 1078Cb 0.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3fup h LEU 1078CO -0.01 0.99 -0.23 0.40 -0.34 0.00 0.00 178.44 179.26 3fup h ILE 1079N 0.09 1.27 -0.07 4.05 2.04 -0.78 -1.78 117.51 122.33 3fup h ILE 1079Ca -0.04 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 3fup h ILE 1079Cb 1.51 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3fup h ILE 1079CO 0.13 0.44 -0.14 -0.33 0.00 0.00 0.00 178.15 178.25 3fup h GLU 1080N 0.63 0.23 -0.32 2.37 4.39 -0.97 -1.80 114.58 119.10 3fup h GLU 1080Ca 0.09 -0.14 0.07 0.00 0.34 0.00 0.00 59.36 59.71 3fup h GLU 1080Cb 0.72 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 3fup h GLU 1080CO 0.06 0.72 -0.10 1.25 -1.16 0.00 0.00 179.01 179.78 3fup h LEU 1081N -0.25 -0.35 -1.03 1.33 5.85 -0.96 0.51 115.31 120.41 3fup h LEU 1081Ca 0.00 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3fup h LEU 1081Cb 0.71 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3fup h LEU 1081CO 0.03 -0.13 0.15 -0.07 -0.34 0.00 0.00 178.44 178.08 3fup h LEU 1082N -0.03 0.79 -0.49 2.25 3.38 -1.32 0.84 115.31 120.73 3fup h LEU 1082Ca 0.16 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3fup h LEU 1082Cb 0.27 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3fup h LEU 1082CO -0.35 0.76 0.12 0.11 0.09 0.00 0.00 178.44 179.18 3fup h LYS 1083N 0.82 0.26 -0.96 1.13 1.57 -0.31 -1.85 116.57 117.22 3fup h LYS 1083Ca 0.18 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3fup h LYS 1083Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3fup h LYS 1083CO -0.00 0.17 0.04 0.09 -0.57 0.00 0.00 179.45 179.18 3fup n ASN 1084N -5.08 2.25 -2.52 0.86 3.02 0.05 -4.85 115.26 109.00 3fup n ASN 1084Ca 0.05 -2.18 -0.18 0.00 -0.03 0.00 0.00 54.58 52.24 3fup n ASN 1084Cb 0.23 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3fup n ASN 1084CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fup n ASN 1085N 0.15 -5.10 -4.77 6.41 3.02 -0.70 -4.96 115.26 109.31 3fup n ASN 1085Ca 0.06 0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3fup n ASN 1085Cb 0.50 -4.26 -0.03 0.00 -0.61 0.00 0.00 39.78 35.39 3fup n ASN 1085CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3fup s GLY 1086N -2.13 2.89 -0.01 7.41 0.00 0.24 -5.00 107.32 110.70 3fup s GLY 1086Ca 0.05 0.94 -0.23 0.00 0.00 0.00 0.00 44.72 45.47 3fup s GLY 1086CO 0.06 1.46 0.51 0.50 0.00 0.00 0.00 173.10 175.63 3fup s ARG 1087N -2.17 0.92 0.09 2.90 0.52 -1.26 -4.39 118.95 115.56 3fup s ARG 1087Ca 0.55 -0.02 -0.36 0.00 -0.52 0.00 0.00 55.73 55.37 3fup s ARG 1087Cb -0.30 0.42 -0.16 0.00 0.52 0.00 0.00 34.95 35.43 3fup s ARG 1087CO 0.38 -0.29 1.37 1.28 0.02 0.00 0.00 175.30 178.07 3fup n LEU 1088N 0.91 1.83 -4.72 2.53 4.77 -1.26 -4.94 117.00 116.12 3fup n LEU 1088Ca -0.20 1.11 -0.32 0.00 -0.03 0.00 0.00 56.01 56.58 3fup n LEU 1088Cb 0.57 -1.22 0.12 0.00 -2.33 0.00 0.00 43.42 40.57 3fup n LEU 1088CO 0.22 -0.95 0.72 -2.16 -1.33 0.00 0.00 177.39 173.89 3fup s PRO 1089N 0.58 1.77 0.01 3.23 0.04 -1.26 -4.96 135.00 134.41 3fup s PRO 1089Ca 0.84 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 3fup s PRO 1089Cb -0.92 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 3fup s PRO 1089CO 0.46 -2.06 1.67 0.50 0.04 0.00 0.00 177.00 177.62 3fup s ARG 1090N -4.53 4.19 0.47 4.56 3.52 -1.26 -4.97 118.95 120.93 3fup s ARG 1090Ca 0.67 2.28 -0.24 0.00 -0.13 0.00 0.00 55.73 58.31 3fup s ARG 1090Cb -0.22 -3.82 -0.08 0.00 -1.56 0.00 0.00 34.95 29.27 3fup s ARG 1090CO 0.53 -0.79 1.24 -2.30 -0.81 0.00 0.00 175.30 173.17 3fup n PRO 1091N 6.42 1.74 -1.54 5.12 -0.02 -1.26 -4.88 135.00 140.57 3fup n PRO 1091Ca 0.17 0.63 -0.54 0.00 -2.02 0.00 0.00 63.50 61.73 3fup n PRO 1091Cb 0.42 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3fup n PRO 1091CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fup n ASP 1092N -0.16 0.77 0.00 2.55 8.00 -1.26 -0.19 116.55 126.26 3fup n ASP 1092Ca 0.08 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.72 3fup n ASP 1092Cb 0.42 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3fup n ASP 1092CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fup n GLY 1093N 2.00 2.91 3.70 0.44 0.00 -1.26 -4.87 105.19 108.11 3fup n GLY 1093Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3fup n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fup s PRO 1095N 1.85 4.24 0.57 0.00 0.02 -1.26 -4.87 135.00 135.56 3fup s PRO 1095Ca 0.69 2.37 0.33 0.00 0.02 0.00 0.00 61.00 64.41 3fup s PRO 1095Cb -0.39 -3.06 1.43 0.00 0.02 0.00 0.00 34.50 32.49 3fup s PRO 1095CO 0.31 -0.41 1.73 -0.44 -0.33 0.00 0.00 177.00 177.86 3fup h ASP 1096N 4.22 0.00 1.08 2.53 3.32 -1.98 0.84 116.42 126.43 3fup h ASP 1096Ca -0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 3fup h ASP 1096Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3fup h ASP 1096CO 0.72 0.00 -0.97 1.05 -1.72 0.00 0.00 179.24 178.32 3fup h GLU 1097N 0.00 0.00 -0.01 3.56 4.11 -1.99 -0.38 114.58 119.87 3fup h GLU 1097Ca 0.45 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.65 3fup h GLU 1097Cb 2.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.38 3fup h GLU 1097CO -0.00 0.42 -0.93 0.82 0.07 0.00 0.00 179.01 179.39 3fup h ILE 1098N 0.00 1.31 -0.41 -1.06 1.08 -1.27 -3.02 117.51 114.14 3fup h ILE 1098Ca -0.08 -2.19 -0.03 0.00 -0.39 0.00 0.00 64.86 62.17 3fup h ILE 1098Cb 1.50 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 37.63 3fup h ILE 1098CO 0.06 0.67 0.13 0.22 -0.69 0.00 0.00 178.15 178.54 3fup h TYR 1099N 0.30 0.60 -0.85 1.37 3.20 -1.19 -2.29 116.97 118.10 3fup h TYR 1099Ca -0.11 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 3fup h TYR 1099Cb 1.59 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.64 3fup h TYR 1099CO 0.11 0.50 0.49 1.98 -1.64 0.00 0.00 178.16 179.60 3fup h MET 1100N 0.59 1.18 0.22 1.82 4.05 -1.09 0.24 114.93 121.94 3fup h MET 1100Ca 0.14 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3fup h MET 1100Cb 0.18 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 3fup h MET 1100CO -0.01 0.85 -0.25 0.82 0.23 0.00 0.00 176.91 178.55 3fup h ILE 1101N 1.19 0.46 -0.40 1.77 2.04 -1.32 -0.67 117.51 120.58 3fup h ILE 1101Ca 0.30 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.24 3fup h ILE 1101Cb -0.00 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 3fup h ILE 1101CO -0.05 0.00 -0.37 0.24 0.00 0.00 0.00 178.15 177.97 3fup h MET 1102N -0.52 -0.28 0.00 2.37 2.86 -1.21 -1.43 114.93 116.73 3fup h MET 1102Ca 0.00 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3fup h MET 1102Cb 0.49 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3fup h MET 1102CO -0.08 -0.18 -0.42 1.79 1.06 0.00 0.00 176.91 179.08 3fup h THR 1103N -0.29 1.12 0.00 2.22 1.35 -0.72 -1.17 112.91 115.43 3fup h THR 1103Ca 0.16 -1.53 -0.07 0.00 -0.55 0.00 0.00 66.41 64.42 3fup h THR 1103Cb 0.56 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 3fup h THR 1103CO -0.55 0.41 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.48 3fup h GLU 1104N 0.00 0.00 -0.01 4.72 5.08 -0.61 -2.88 114.58 120.88 3fup h GLU 1104Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3fup h GLU 1104Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3fup h GLU 1104CO 0.05 0.32 -0.77 0.00 -1.00 0.00 0.00 179.01 177.61 3fup n TRP 1106N -3.68 1.35 -2.72 0.00 8.01 -0.76 -3.85 117.44 115.79 3fup n TRP 1106Ca -0.02 -1.87 -0.42 0.00 -1.31 0.00 0.00 57.50 53.87 3fup n TRP 1106Cb 0.74 -1.31 -0.03 0.00 -2.01 0.00 0.00 31.31 28.71 3fup n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3fup s ASN 1107N 0.55 7.24 0.47 -0.99 3.84 -1.23 -4.94 114.94 119.90 3fup s ASN 1107Ca 0.53 1.52 0.14 0.00 0.21 0.00 0.00 52.86 55.26 3fup s ASN 1107Cb 0.34 -2.55 1.10 0.00 -0.55 0.00 0.00 41.25 39.60 3fup s ASN 1107CO -0.15 -0.39 2.08 0.78 -2.79 0.00 0.00 177.10 176.64 3fup h ASN 1108N 7.03 0.09 -2.30 -4.21 2.35 -1.93 -3.36 115.58 113.25 3fup h ASN 1108Ca -0.34 -0.01 -0.54 0.00 -0.55 0.00 0.00 56.30 54.87 3fup h ASN 1108Cb 1.17 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.43 3fup h ASN 1108CO 0.82 0.13 1.09 0.20 -1.65 0.00 0.00 177.43 178.02 3fup s ASN 1109N -6.98 6.12 0.29 5.81 0.01 -1.26 -4.91 114.94 114.02 3fup s ASN 1109Ca -0.05 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 3fup s ASN 1109Cb 0.17 -2.56 0.73 0.00 0.41 0.00 0.00 41.25 40.00 3fup s ASN 1109CO 0.69 -1.86 1.64 0.58 -1.51 0.00 0.00 177.10 176.64 3fup h VAL 1110N 6.10 0.30 0.00 1.60 2.07 -1.99 -0.28 116.25 124.06 3fup h VAL 1110Ca -0.26 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3fup h VAL 1110Cb 1.06 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3fup h VAL 1110CO 1.28 0.04 -0.06 -0.55 0.02 0.00 0.00 177.57 178.29 3fup h ASN 1111N 0.20 0.00 0.11 0.57 -1.07 -1.93 -2.97 115.58 110.49 3fup h ASN 1111Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.93 3fup h ASN 1111Cb 1.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.39 3fup h ASN 1111CO -0.66 0.06 -0.12 0.00 0.07 0.00 0.00 177.43 176.78 3fup n GLN 1112N -3.18 1.26 -2.28 4.14 6.02 -0.12 -4.91 117.38 118.32 3fup n GLN 1112Ca 0.01 -0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 55.89 3fup n GLN 1112Cb 0.35 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 3fup n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fup s ARG 1113N -2.24 3.87 0.91 -1.09 0.52 -1.13 -4.99 118.95 114.81 3fup s ARG 1113Ca 0.32 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 57.21 3fup s ARG 1113Cb 0.20 -2.50 0.14 0.00 0.52 0.00 0.00 34.95 33.31 3fup s ARG 1113CO 0.42 -0.46 1.09 -1.25 0.02 0.00 0.00 175.30 175.12 3fup s PRO 1114N -2.55 1.10 0.47 3.54 0.04 -1.26 -5.04 135.00 131.29 3fup s PRO 1114Ca 0.61 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 3fup s PRO 1114Cb -0.29 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3fup s PRO 1114CO 0.36 -2.40 0.78 -1.54 0.04 0.00 0.00 177.00 174.23 3fup s SER 1115N -3.16 6.30 0.28 6.66 1.04 -1.26 -4.92 113.70 118.63 3fup s SER 1115Ca 0.64 0.94 -0.02 0.00 0.48 0.00 0.00 55.95 57.99 3fup s SER 1115Cb -0.20 -2.25 0.42 0.00 0.10 0.00 0.00 66.02 64.09 3fup s SER 1115CO 0.58 -0.55 1.91 -0.26 0.98 0.00 0.00 173.24 175.90 3fup h PHE 1116N 0.38 1.16 -0.70 5.02 0.04 -1.96 -0.63 116.94 120.25 3fup h PHE 1116Ca -0.47 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.36 3fup h PHE 1116Cb 1.20 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 38.93 3fup h PHE 1116CO 0.59 0.64 0.44 0.00 -0.60 0.00 0.00 178.31 179.38 3fup h ARG 1117N 1.17 0.84 -0.50 1.51 3.08 -1.94 -1.03 114.38 117.51 3fup h ARG 1117Ca 0.39 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 3fup h ARG 1117Cb 0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3fup h ARG 1117CO -0.13 0.56 0.22 -0.44 -1.07 0.00 0.00 179.97 179.11 3fup h ASP 1118N 0.86 0.66 -0.42 7.04 3.32 -1.84 -2.33 116.42 123.71 3fup h ASP 1118Ca 0.28 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.24 3fup h ASP 1118Cb 0.00 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 3fup h ASP 1118CO -0.10 0.62 0.11 -0.07 -1.72 0.00 0.00 179.24 178.09 3fup h LEU 1119N 0.66 0.07 -0.77 1.55 3.38 -0.82 -1.31 115.31 118.07 3fup h LEU 1119Ca 0.17 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3fup h LEU 1119Cb 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3fup h LEU 1119CO -0.02 0.08 0.12 0.00 0.09 0.00 0.00 178.44 178.71 3fup h ALA 1120N 1.30 0.99 -0.40 1.53 0.00 -1.09 0.18 119.26 121.77 3fup h ALA 1120Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3fup h ALA 1120Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fup h ALA 1120CO -0.24 0.64 0.26 -0.07 0.00 0.00 0.00 179.25 179.85 3fup h LEU 1121N 0.99 0.45 -0.01 0.00 3.38 -1.15 0.17 115.31 119.14 3fup h LEU 1121Ca 0.20 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 3fup h LEU 1121Cb 0.41 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.06 3fup h LEU 1121CO 0.01 0.33 -1.04 0.03 0.09 0.00 0.00 178.44 177.86 3fup h ARG 1122N 0.53 0.69 0.28 1.13 3.08 -0.98 -2.99 114.38 116.12 3fup h ARG 1122Ca 0.15 -0.74 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 3fup h ARG 1122Cb -0.06 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3fup h ARG 1122CO -0.04 1.32 -0.14 0.28 -1.07 0.00 0.00 179.97 180.32 3fup h VAL 1123N 0.39 0.75 -0.62 2.04 2.07 -0.92 -0.75 116.25 119.20 3fup h VAL 1123Ca -0.13 -0.53 0.18 0.00 0.82 0.00 0.00 66.70 67.04 3fup h VAL 1123Cb 1.69 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3fup h VAL 1123CO 0.20 0.11 0.65 0.44 0.02 0.00 0.00 177.57 178.99 3fup h ASP 1124N -0.67 0.00 0.03 0.57 5.19 -0.75 -0.79 116.42 120.00 3fup h ASP 1124Ca -0.04 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.01 3fup h ASP 1124Cb 0.47 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.93 3fup h ASP 1124CO 0.06 0.00 -2.02 1.67 -3.12 0.00 0.00 179.24 175.84 3fup n GLN 1125N -3.66 0.63 -0.30 3.56 7.27 -0.99 -2.62 117.38 121.27 3fup n GLN 1125Ca 0.13 0.34 0.20 0.00 0.07 0.00 0.00 57.00 57.73 3fup n GLN 1125Cb 0.88 -1.63 0.48 0.00 2.41 0.00 0.00 30.24 32.38 3fup n GLN 1125CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3fup h ILE 1126N -0.56 0.60 0.14 1.69 2.04 -1.01 -1.87 117.51 118.54 3fup h ILE 1126Ca -0.51 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3fup h ILE 1126Cb 1.68 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3fup h ILE 1126CO -0.18 0.08 -0.28 0.03 0.00 0.00 0.00 178.15 177.81 3fup h ARG 1127N 0.45 -0.48 0.03 2.37 3.08 -1.14 -2.67 114.38 116.02 3fup h ARG 1127Ca 0.55 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.64 3fup h ARG 1127Cb 1.31 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 3fup h ARG 1127CO -0.27 -0.32 -0.05 -0.44 -1.07 0.00 0.00 179.97 177.82 3fup h ASP 1128N -0.50 -0.14 0.00 7.04 3.32 -1.10 -0.12 116.42 124.91 3fup h ASP 1128Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fup h ASP 1128Cb 0.52 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fup h ASP 1128CO -0.15 -0.08 0.19 1.56 -1.72 0.00 0.00 179.24 179.04 3fup h GLN 1129N -0.11 0.00 0.00 3.56 4.20 -1.46 -0.00 115.11 121.31 3fup h GLN 1129Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fup h GLN 1129Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3fup h GLN 1129CO -0.03 0.00 -0.73 0.52 -0.67 0.00 0.00 178.83 177.92 3fup h MET 1130N 0.00 0.00 0.00 1.46 2.86 -0.67 -3.40 114.93 115.19 3fup h MET 1130Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fup h MET 1130Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3fup h MET 1130CO 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.96 3fup h ALA 1131N 2.08 0.00 -0.02 6.32 0.00 -0.52 -3.52 119.26 123.60 3fup h ALA 1131Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fup h ALA 1131Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3fup h ALA 1131CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67