#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtw s PRO 821 N 0.00 3.22 -0.34 3.23 0.04 -1.26 -5.02 135.00 134.86 3dtw s PRO 821 Ca 0.00 0.89 0.03 0.00 0.04 0.00 0.00 61.00 61.96 3dtw s PRO 821 Cb 0.00 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.61 3dtw s PRO 821 CO 0.00 -0.87 0.05 -0.47 0.04 0.00 0.00 177.00 175.75 3dtw s TYR 822 N -3.05 3.68 -1.03 0.56 5.04 -1.26 -4.98 117.35 116.32 3dtw s TYR 822 Ca 0.57 -2.84 -0.23 0.00 -2.44 0.00 0.00 57.07 52.14 3dtw s TYR 822 Cb -0.13 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.33 3dtw s TYR 822 CO 0.53 -0.94 1.77 0.34 -1.34 0.00 0.00 175.55 175.91 3dtw s ASP 823 N 1.05 5.73 0.53 4.32 -1.08 -1.26 -4.81 116.67 121.14 3dtw s ASP 823 Ca 0.08 -1.26 0.18 0.00 -0.52 0.00 0.00 52.55 51.03 3dtw s ASP 823 Cb -0.20 -2.57 1.34 0.00 -1.46 0.00 0.00 42.92 40.03 3dtw s ASP 823 CO -0.07 -2.25 2.15 0.00 0.52 0.00 0.00 175.17 175.52 3dtw h ALA 824 N 10.18 1.98 0.00 3.66 0.00 -1.98 -2.14 119.26 130.97 3dtw h ALA 824 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dtw h ALA 824 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dtw h ALA 824 CO 1.31 -0.04 0.00 0.77 0.00 0.00 0.00 179.25 181.28 3dtw h SER 825 N 0.00 0.00 0.00 0.00 0.02 -1.96 -2.57 113.55 109.05 3dtw h SER 825 Ca 0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.62 3dtw h SER 825 Cb 0.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 3dtw h SER 825 CO -0.00 0.00 -2.28 1.17 -1.14 0.00 0.00 176.83 174.57 3dtw n LYS 826 N -2.71 0.55 -0.00 3.45 4.81 -0.83 -4.79 118.16 118.64 3dtw n LYS 826 Ca 0.00 0.14 0.10 0.00 -0.87 0.00 0.00 58.31 57.68 3dtw n LYS 826 Cb 0.21 -1.43 -0.13 0.00 0.02 0.00 0.00 35.03 33.70 3dtw n LYS 826 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3dtw n TRP 827 N -3.29 0.00 -2.17 5.64 7.02 -1.08 -4.98 117.44 118.58 3dtw n TRP 827 Ca -0.41 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.65 3dtw n TRP 827 Cb 0.91 -0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 29.66 3dtw n TRP 827 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3dtw s GLU 828 N -3.06 4.30 -0.06 -0.99 2.56 -0.97 -0.31 118.70 120.17 3dtw s GLU 828 Ca 0.04 2.05 0.03 0.00 0.00 0.00 0.00 54.97 57.10 3dtw s GLU 828 Cb 0.15 -3.38 0.01 0.00 2.00 0.00 0.00 34.13 32.91 3dtw s GLU 828 CO 0.85 -0.50 -0.15 0.12 -0.56 0.00 0.00 175.26 175.03 3dtw s PHE 829 N 1.63 1.66 -0.21 5.30 5.36 0.14 -4.85 117.98 127.00 3dtw s PHE 829 Ca 0.65 -0.59 -0.36 0.00 -0.96 0.00 0.00 56.93 55.67 3dtw s PHE 829 Cb -0.35 -1.17 -0.13 0.00 -0.34 0.00 0.00 43.02 41.04 3dtw s PHE 829 CO 0.29 -0.26 1.91 -2.30 -1.46 0.00 0.00 175.22 173.40 3dtw n PRO 830 N 3.58 1.62 -0.15 10.12 -0.02 -1.26 -4.38 135.00 144.50 3dtw n PRO 830 Ca -0.21 0.57 0.21 0.00 -2.02 0.00 0.00 63.50 62.05 3dtw n PRO 830 Cb 0.52 -2.44 0.61 0.00 -0.02 0.00 0.00 33.50 32.17 3dtw n PRO 830 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dtw h ARG 831 N 9.31 0.20 -0.37 -0.52 3.08 -1.96 0.12 114.38 124.24 3dtw h ARG 831 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3dtw h ARG 831 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3dtw h ARG 831 CO 0.97 0.13 0.00 -0.40 -1.07 0.00 0.00 179.97 179.60 3dtw n ASP 832 N -4.41 1.87 -1.04 7.04 3.85 -1.26 -2.97 116.55 119.64 3dtw n ASP 832 Ca 0.16 -2.03 0.10 0.00 -0.71 0.00 0.00 54.79 52.30 3dtw n ASP 832 Cb 0.71 -0.25 0.23 0.00 -1.35 0.00 0.00 41.12 40.46 3dtw n ASP 832 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dtw n ARG 833 N 0.45 2.56 -5.23 0.11 1.74 0.42 -4.91 116.66 111.79 3dtw n ARG 833 Ca 0.11 -2.29 -0.32 0.00 -0.77 0.00 0.00 57.85 54.59 3dtw n ARG 833 Cb 0.31 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 3dtw n ARG 833 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dtw s LEU 834 N -1.12 2.07 -0.35 0.55 1.43 -1.16 -2.30 118.68 117.80 3dtw s LEU 834 Ca 0.36 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3dtw s LEU 834 Cb 0.20 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 45.13 3dtw s LEU 834 CO 0.27 0.20 0.09 -0.54 0.23 0.00 0.00 176.35 176.60 3dtw s LYS 835 N 0.08 2.01 0.30 1.70 1.02 -0.25 -4.93 119.74 119.68 3dtw s LYS 835 Ca -0.11 -1.65 -0.29 0.00 0.02 0.00 0.00 55.97 53.94 3dtw s LYS 835 Cb -0.16 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.71 3dtw s LYS 835 CO 0.06 -0.88 1.26 -0.51 -0.92 0.00 0.00 175.35 174.36 3dtw s LEU 836 N 1.11 4.46 0.00 3.17 1.43 -1.26 -1.24 118.68 126.35 3dtw s LEU 836 Ca 0.04 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 3dtw s LEU 836 Cb -0.21 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3dtw s LEU 836 CO -0.04 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 176.71 3dtw n GLY 837 N 1.11 5.26 3.77 -3.19 0.00 0.55 -4.95 105.19 107.73 3dtw n GLY 837 Ca 0.01 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 3dtw n GLY 837 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dtw s LYS 838 N 4.27 3.89 0.69 1.61 1.02 -1.26 -4.62 119.74 125.33 3dtw s LYS 838 Ca 0.00 2.46 -0.11 0.00 0.02 0.00 0.00 55.97 58.34 3dtw s LYS 838 Cb 0.00 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3dtw s LYS 838 CO 0.00 -0.67 1.06 -2.14 -0.92 0.00 0.00 175.35 172.68 3dtw s PRO 839 N -2.28 2.97 -0.04 -1.68 0.02 -1.26 -1.72 135.00 131.00 3dtw s PRO 839 Ca 0.57 0.96 -0.07 0.00 0.02 0.00 0.00 61.00 62.47 3dtw s PRO 839 Cb -0.44 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 3dtw s PRO 839 CO 0.58 -1.07 -0.15 1.28 -0.33 0.00 0.00 177.00 177.31 3dtw n LEU 840 N -3.09 1.33 -4.07 -5.54 4.77 -0.19 -4.78 117.00 105.42 3dtw n LEU 840 Ca 0.07 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 3dtw n LEU 840 Cb 0.53 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 3dtw n LEU 840 CO 0.56 -0.38 -0.32 -0.83 -1.33 0.00 0.00 177.39 175.08 3dtw s GLY 841 N -4.56 0.48 -0.02 -0.72 0.00 -1.14 -4.99 107.32 96.36 3dtw s GLY 841 Ca -0.13 -1.17 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 3dtw s GLY 841 CO 0.19 -1.26 0.03 -1.60 0.00 0.00 0.00 173.10 170.45 3dtw s ARG 842 N -3.93 0.00 0.00 2.90 3.52 -1.26 -0.68 118.95 119.51 3dtw s ARG 842 Ca 0.09 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 3dtw s ARG 842 Cb 0.08 -0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 3dtw s ARG 842 CO -0.09 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 3dtw n GLY 846 N 4.27 0.00 2.89 8.12 0.00 -1.26 -4.91 105.19 114.29 3dtw n GLY 846 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 3dtw n GLY 846 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dtw s GLN 847 N 0.00 0.08 0.04 1.61 -2.07 -0.98 -5.00 119.66 113.35 3dtw s GLN 847 Ca 0.00 -0.06 -0.10 0.00 -1.82 0.00 0.00 55.36 53.38 3dtw s GLN 847 Cb 0.00 -0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 31.80 3dtw s GLN 847 CO 0.00 0.02 0.36 0.08 -1.32 0.00 0.00 175.29 174.42 3dtw s VAL 848 N -0.09 5.15 0.00 3.63 1.01 0.15 -1.81 120.40 128.44 3dtw s VAL 848 Ca -0.00 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 3dtw s VAL 848 Cb -0.01 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 3dtw s VAL 848 CO -0.00 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 174.88 3dtw s ILE 849 N -1.30 0.07 0.39 2.22 1.01 0.62 -1.03 121.20 123.19 3dtw s ILE 849 Ca 0.29 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 3dtw s ILE 849 Cb -0.14 -0.24 -0.10 0.00 0.01 0.00 0.00 42.46 41.98 3dtw s ILE 849 CO 0.16 -0.31 0.96 -0.70 0.00 0.00 0.00 174.94 175.04 3dtw s GLU 850 N -0.97 4.35 0.31 2.79 2.12 -0.70 0.50 118.70 127.09 3dtw s GLU 850 Ca -0.11 1.22 -0.18 0.00 0.36 0.00 0.00 54.97 56.27 3dtw s GLU 850 Cb -0.06 -2.43 0.03 0.00 0.26 0.00 0.00 34.13 31.93 3dtw s GLU 850 CO -0.00 0.07 0.71 0.00 -0.54 0.00 0.00 175.26 175.50 3dtw s ALA 851 N -1.94 -0.89 -0.20 6.30 0.00 0.59 -0.33 121.76 125.28 3dtw s ALA 851 Ca 0.58 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 3dtw s ALA 851 Cb -0.13 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3dtw s ALA 851 CO 0.18 -1.00 -0.11 -0.51 0.00 0.00 0.00 175.76 174.32 3dtw s ASP 852 N -2.99 3.81 -0.27 0.00 1.01 -0.37 -0.55 116.67 117.31 3dtw s ASP 852 Ca 0.14 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 3dtw s ASP 852 Cb -0.05 -1.63 0.02 0.00 1.01 0.00 0.00 42.92 42.27 3dtw s ASP 852 CO 0.09 -0.01 -0.02 0.00 0.21 0.00 0.00 175.17 175.45 3dtw s ALA 853 N 1.38 2.81 -0.79 5.23 0.00 0.94 -1.08 121.76 130.24 3dtw s ALA 853 Ca 0.05 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 3dtw s ALA 853 Cb -0.14 -1.84 0.10 0.00 0.00 0.00 0.00 23.12 21.25 3dtw s ALA 853 CO -0.07 -0.89 1.03 -0.06 0.00 0.00 0.00 175.76 175.77 3dtw s PHE 854 N 1.37 2.92 0.00 0.00 0.40 -0.97 -0.70 117.98 121.00 3dtw s PHE 854 Ca 0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.33 3dtw s PHE 854 Cb -0.17 -4.27 0.00 0.00 0.51 0.00 0.00 43.02 39.09 3dtw s PHE 854 CO -0.02 -1.54 0.00 0.41 0.70 0.00 0.00 175.22 174.76 3dtw n GLY 855 N 5.43 1.73 0.22 4.36 0.00 0.10 -4.94 105.19 112.10 3dtw n GLY 855 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3dtw n GLY 855 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dtw h ILE 856 N 0.00 0.02 -2.85 -0.61 2.10 -1.76 -3.47 117.51 110.94 3dtw h ILE 856 Ca 0.00 -0.99 0.00 0.00 1.08 0.00 0.00 64.86 64.95 3dtw h ILE 856 Cb 0.00 1.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3dtw h ILE 856 CO 0.00 0.01 0.00 -0.90 -1.08 0.00 0.00 178.15 176.18 3dtw n ASP 857 N -3.10 1.64 0.05 2.19 5.68 -1.26 -4.98 116.55 116.77 3dtw n ASP 857 Ca 0.04 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.26 3dtw n ASP 857 Cb 0.52 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.38 3dtw n ASP 857 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3dtw h LYS 858 N 0.00 0.00 0.00 0.11 1.57 -1.99 -3.31 116.57 112.94 3dtw h LYS 858 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dtw h LYS 858 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dtw h LYS 858 CO 0.00 0.85 0.35 1.79 -0.57 0.00 0.00 179.45 181.87 3dtw h THR 859 N 0.00 0.00 -4.01 -0.16 1.35 -1.97 -3.44 112.91 104.68 3dtw h THR 859 Ca -0.07 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.39 3dtw h THR 859 Cb 1.79 0.39 0.02 0.00 -1.73 0.00 0.00 68.15 68.61 3dtw h THR 859 CO 0.11 0.00 -0.56 0.00 -0.25 0.00 0.00 175.52 174.83 3dtw n ALA 860 N -1.65 -0.85 -4.02 6.62 0.00 -1.25 -4.98 120.51 114.38 3dtw n ALA 860 Ca -0.01 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.45 3dtw n ALA 860 Cb 0.37 -3.05 -0.02 0.00 0.00 0.00 0.00 19.45 16.76 3dtw n ALA 860 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dtw n THR 861 N -4.21 0.00 -3.30 0.00 -2.24 -1.26 -4.66 114.28 98.60 3dtw n THR 861 Ca -0.15 -1.45 -0.38 0.00 -2.27 0.00 0.00 64.05 59.79 3dtw n THR 861 Cb 0.64 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 3dtw n THR 861 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dtw s ARG 863 N -0.43 0.09 -0.13 0.00 3.52 0.13 -4.96 118.95 117.18 3dtw s ARG 863 Ca 0.28 0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.69 3dtw s ARG 863 Cb -0.18 0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.25 3dtw s ARG 863 CO 0.16 -0.01 1.08 0.99 -0.81 0.00 0.00 175.30 176.71 3dtw s THR 864 N 0.04 4.60 0.28 4.11 2.01 -1.26 -0.04 115.64 125.37 3dtw s THR 864 Ca -0.00 1.89 0.04 0.00 0.31 0.00 0.00 61.69 63.93 3dtw s THR 864 Cb -0.01 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 3dtw s THR 864 CO 0.00 -0.06 0.03 0.68 -0.69 0.00 0.00 174.62 174.59 3dtw s VAL 865 N 2.49 1.07 -0.13 3.82 -7.23 0.29 -3.83 120.40 116.88 3dtw s VAL 865 Ca 0.49 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3dtw s VAL 865 Cb -0.19 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3dtw s VAL 865 CO 0.16 -0.14 -0.08 0.00 -0.31 0.00 0.00 175.10 174.72 3dtw s ALA 866 N -3.39 2.82 -0.14 1.32 0.00 -0.28 -0.30 121.76 121.79 3dtw s ALA 866 Ca 0.33 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3dtw s ALA 866 Cb 0.07 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.84 3dtw s ALA 866 CO 0.13 0.27 -0.18 0.08 0.00 0.00 0.00 175.76 176.05 3dtw s VAL 867 N 0.24 1.80 -0.26 0.00 1.01 0.18 -1.38 120.40 121.99 3dtw s VAL 867 Ca -0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3dtw s VAL 867 Cb -0.15 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3dtw s VAL 867 CO 0.04 0.50 0.24 -0.75 0.00 0.00 0.00 175.10 175.12 3dtw s LYS 868 N 1.13 4.02 0.03 2.72 2.20 -0.55 -0.27 119.74 129.02 3dtw s LYS 868 Ca -0.01 -0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.41 3dtw s LYS 868 Cb -0.14 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 3dtw s LYS 868 CO -0.07 -0.11 -0.03 0.00 -0.36 0.00 0.00 175.35 174.78 3dtw s MET 869 N 1.55 0.38 0.00 4.03 0.23 -0.75 -1.61 119.30 123.13 3dtw s MET 869 Ca 0.10 -0.73 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 3dtw s MET 869 Cb -0.15 0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 3dtw s MET 869 CO 0.08 -0.05 0.00 1.28 -2.03 0.00 0.00 175.02 174.30 3dtw n LEU 870 N 1.32 0.00 0.00 0.18 4.77 -1.25 -2.31 117.00 119.71 3dtw n LEU 870 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3dtw n LEU 870 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3dtw n LEU 870 CO 0.22 -0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.26 3dtw n ALA 874 N -3.00 0.00 -1.79 -1.18 0.00 -1.26 -4.90 120.51 108.39 3dtw n ALA 874 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3dtw n ALA 874 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3dtw n ALA 874 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dtw s THR 875 N -1.30 3.89 0.66 0.00 -4.23 -1.26 -4.91 115.64 108.49 3dtw s THR 875 Ca 0.00 1.43 0.35 0.00 -1.18 0.00 0.00 61.69 62.30 3dtw s THR 875 Cb 0.00 -3.73 0.36 0.00 1.34 0.00 0.00 72.50 70.46 3dtw s THR 875 CO 0.00 -0.00 2.09 0.45 -0.54 0.00 0.00 174.62 176.62 3dtw h HIS 876 N 2.55 0.00 -0.41 3.99 -0.00 -2.04 0.82 115.15 120.06 3dtw h HIS 876 Ca -0.48 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 59.92 3dtw h HIS 876 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 3dtw h HIS 876 CO 0.59 0.00 0.27 0.77 -0.00 0.00 0.00 177.93 179.56 3dtw h SER 877 N 0.00 0.38 0.16 2.45 0.02 -1.99 0.16 113.55 114.73 3dtw h SER 877 Ca 0.01 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 3dtw h SER 877 Cb 0.43 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.90 3dtw h SER 877 CO -0.00 0.26 -1.36 -0.33 -1.14 0.00 0.00 176.83 174.26 3dtw h GLU 878 N 0.44 0.33 0.51 3.45 5.08 0.29 -2.74 114.58 121.93 3dtw h GLU 878 Ca 0.17 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 3dtw h GLU 878 Cb 0.12 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3dtw h GLU 878 CO -0.04 1.27 -0.47 1.25 -1.00 0.00 0.00 179.01 180.02 3dtw h HIS 879 N -0.17 -1.29 -0.82 4.33 2.76 -1.18 0.68 115.15 119.46 3dtw h HIS 879 Ca -0.27 0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.10 3dtw h HIS 879 Cb 1.87 0.50 -0.05 0.00 1.55 0.00 0.00 27.41 31.27 3dtw h HIS 879 CO 0.14 -0.65 0.56 -0.09 -1.30 0.00 0.00 177.93 176.59 3dtw h ARG 880 N -0.98 0.26 -0.13 5.26 2.43 -1.12 0.21 114.38 120.32 3dtw h ARG 880 Ca -0.06 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 3dtw h ARG 880 Cb 0.84 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3dtw h ARG 880 CO -0.04 0.17 -0.51 0.00 -1.51 0.00 0.00 179.97 178.08 3dtw h ALA 881 N 1.62 0.23 0.00 2.80 0.00 -0.85 -1.55 119.26 121.52 3dtw h ALA 881 Ca 0.41 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dtw h ALA 881 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dtw h ALA 881 CO -0.11 0.42 -0.00 1.25 0.00 0.00 0.00 179.25 180.81 3dtw h LEU 882 N 0.20 -0.00 -0.12 0.00 5.85 0.17 -2.14 115.31 119.27 3dtw h LEU 882 Ca -0.03 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.47 3dtw h LEU 882 Cb 1.14 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3dtw h LEU 882 CO 0.11 0.27 -0.26 0.24 -0.34 0.00 0.00 178.44 178.46 3dtw h MET 883 N -0.27 -0.32 -0.10 1.25 2.86 -0.67 -0.42 114.93 117.26 3dtw h MET 883 Ca -0.00 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3dtw h MET 883 Cb 0.27 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3dtw h MET 883 CO 0.00 -0.21 0.06 0.66 1.06 0.00 0.00 176.91 178.47 3dtw h SER 884 N -0.33 0.11 -0.19 1.22 4.64 -1.28 0.15 113.55 117.87 3dtw h SER 884 Ca 0.10 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3dtw h SER 884 Cb 0.48 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3dtw h SER 884 CO -0.31 0.09 -0.10 -0.08 -0.87 0.00 0.00 176.83 175.56 3dtw h GLU 885 N 0.14 0.56 0.81 4.77 4.81 -0.43 -1.94 114.58 123.30 3dtw h GLU 885 Ca 0.04 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3dtw h GLU 885 Cb -0.00 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.32 3dtw h GLU 885 CO -0.01 0.66 -0.39 1.25 -0.73 0.00 0.00 179.01 179.79 3dtw h LEU 886 N 0.52 -0.92 -1.72 1.64 5.85 0.57 -2.94 115.31 118.30 3dtw h LEU 886 Ca 0.10 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.10 3dtw h LEU 886 Cb 0.49 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3dtw h LEU 886 CO 0.03 -0.56 0.65 0.11 -0.34 0.00 0.00 178.44 178.33 3dtw h LYS 887 N -1.29 0.20 -0.64 1.25 1.57 -1.20 0.24 116.57 116.69 3dtw h LYS 887 Ca -0.11 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3dtw h LYS 887 Cb 0.84 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 3dtw h LYS 887 CO 0.18 0.13 0.18 0.82 -0.57 0.00 0.00 179.45 180.20 3dtw h ILE 888 N 0.21 1.25 -0.39 1.86 2.04 -1.24 0.28 117.51 121.52 3dtw h ILE 888 Ca 0.49 -0.89 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 3dtw h ILE 888 Cb 1.55 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3dtw h ILE 888 CO -0.12 0.34 -0.20 -0.07 0.00 0.00 0.00 178.15 178.10 3dtw h LEU 889 N 0.93 0.76 -0.69 1.44 3.38 -0.41 0.13 115.31 120.85 3dtw h LEU 889 Ca 0.20 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3dtw h LEU 889 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dtw h LEU 889 CO -0.00 0.95 -0.10 0.40 0.09 0.00 0.00 178.44 179.78 3dtw h ILE 890 N 0.67 1.26 -0.15 1.22 2.04 -0.80 -2.83 117.51 118.93 3dtw h ILE 890 Ca 0.10 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 3dtw h ILE 890 Cb 0.70 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3dtw h ILE 890 CO 0.05 0.42 -0.04 -0.74 0.00 0.00 0.00 178.15 177.85 3dtw h HIS 891 N 0.82 0.32 -0.76 1.37 2.76 0.15 -3.19 115.15 116.63 3dtw h HIS 891 Ca 0.14 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3dtw h HIS 891 Cb 0.62 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 29.45 3dtw h HIS 891 CO 0.04 0.57 0.46 0.82 -1.30 0.00 0.00 177.93 178.52 3dtw h ILE 892 N -0.02 1.03 0.00 6.26 2.04 -0.75 -3.49 117.51 122.59 3dtw h ILE 892 Ca 0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3dtw h ILE 892 Cb 0.46 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3dtw h ILE 892 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.93 3dtw n GLY 893 N -1.31 -1.78 3.82 5.37 0.00 -1.07 -4.96 105.19 105.27 3dtw n GLY 893 Ca 0.10 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 3dtw n GLY 893 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dtw s HIS 894 N 0.00 3.57 -0.08 1.61 2.46 -1.26 -4.94 115.29 116.66 3dtw s HIS 894 Ca 0.00 0.59 -0.13 0.00 0.47 0.00 0.00 55.06 55.99 3dtw s HIS 894 Cb 0.00 -2.10 0.03 0.00 -0.13 0.00 0.00 32.58 30.38 3dtw s HIS 894 CO 0.00 0.57 0.32 -1.58 -2.47 0.00 0.00 174.74 171.58 3dtw s HIS 895 N -0.58 -0.28 0.42 3.88 5.04 -1.26 -5.05 115.29 117.46 3dtw s HIS 895 Ca 0.16 0.61 0.10 0.00 -1.54 0.00 0.00 55.06 54.39 3dtw s HIS 895 Cb -0.13 0.11 0.91 0.00 0.04 0.00 0.00 32.58 33.51 3dtw s HIS 895 CO 0.05 -0.27 2.02 1.25 -2.34 0.00 0.00 174.74 175.45 3dtw h LEU 896 N 4.86 0.29 -2.86 8.88 5.85 -1.98 -2.88 115.31 127.48 3dtw h LEU 896 Ca -0.28 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3dtw h LEU 896 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3dtw h LEU 896 CO 0.34 0.29 0.00 0.59 -0.34 0.00 0.00 178.44 179.32 3dtw n ASN 897 N -4.41 4.41 -4.03 1.25 5.03 -1.26 -4.78 115.26 111.47 3dtw n ASN 897 Ca 0.00 -2.45 -0.29 0.00 0.87 0.00 0.00 54.58 52.71 3dtw n ASN 897 Cb 0.15 -0.56 -0.17 0.00 -1.02 0.00 0.00 39.78 38.18 3dtw n ASN 897 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dtw s VAL 898 N -1.92 1.49 -0.07 2.41 1.01 -1.09 0.43 120.40 122.66 3dtw s VAL 898 Ca 0.46 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3dtw s VAL 898 Cb 0.30 -1.39 -0.14 0.00 0.00 0.00 0.00 36.38 35.16 3dtw s VAL 898 CO 0.21 0.44 0.83 0.55 0.00 0.00 0.00 175.10 177.13 3dtw n VAL 899 N 4.52 0.00 -3.01 2.92 3.14 0.13 -4.60 118.33 121.42 3dtw n VAL 899 Ca -0.18 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.81 3dtw n VAL 899 Cb 0.51 -0.07 -0.06 0.00 -1.06 0.00 0.00 33.84 33.16 3dtw n VAL 899 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3dtw s ASN 900 N 0.43 7.30 -0.12 6.55 0.02 -1.26 -4.95 114.94 122.91 3dtw s ASN 900 Ca 0.66 1.54 -0.22 0.00 -1.02 0.00 0.00 52.86 53.82 3dtw s ASN 900 Cb -0.92 -2.47 -0.03 0.00 0.02 0.00 0.00 41.25 37.84 3dtw s ASN 900 CO 0.44 0.16 0.67 -0.22 0.02 0.00 0.00 177.10 178.16 3dtw s LEU 901 N -0.80 4.24 -0.08 0.60 2.96 -1.26 -0.78 118.68 123.56 3dtw s LEU 901 Ca 0.36 1.04 0.15 0.00 -0.22 0.00 0.00 54.13 55.45 3dtw s LEU 901 Cb -0.22 -3.00 -0.22 0.00 0.50 0.00 0.00 46.19 43.25 3dtw s LEU 901 CO 0.24 -0.19 0.21 0.18 -1.32 0.00 0.00 176.35 175.48 3dtw n LEU 902 N 4.33 0.00 0.00 -0.68 4.77 0.11 -4.89 117.00 120.64 3dtw n LEU 902 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3dtw n LEU 902 Cb 0.51 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3dtw n LEU 902 CO 0.46 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3dtw n GLY 903 N 1.83 -1.06 3.49 -0.72 0.00 -1.05 -4.97 105.19 102.71 3dtw n GLY 903 Ca -0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 3dtw n GLY 903 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtw s ALA 904 N -1.00 -1.78 -0.36 4.61 0.00 0.58 -0.62 121.76 123.19 3dtw s ALA 904 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3dtw s ALA 904 Cb 0.00 0.51 0.11 0.00 0.00 0.00 0.00 23.12 23.73 3dtw s ALA 904 CO 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 175.76 175.15 3dtw n THR 906 N 4.14 0.47 -1.62 0.00 -2.24 -1.26 -2.10 114.28 111.67 3dtw n THR 906 Ca 0.04 -0.40 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 3dtw n THR 906 Cb 0.40 -0.33 0.05 0.00 -2.10 0.00 0.00 70.33 68.36 3dtw n THR 906 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dtw n LYS 907 N -2.22 0.95 -1.88 -0.78 5.02 -1.26 -4.92 118.16 113.07 3dtw n LYS 907 Ca -0.12 0.36 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 3dtw n LYS 907 Cb 0.65 -2.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 3dtw n LYS 907 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3dtw s PRO 908 N -2.69 4.18 0.00 1.97 0.02 -1.26 -4.10 135.00 133.12 3dtw s PRO 908 Ca 0.75 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.24 3dtw s PRO 908 Cb -0.43 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3dtw s PRO 908 CO 0.48 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 3dtw n GLY 909 N 1.40 1.20 0.42 0.52 0.00 -1.26 -5.12 105.19 102.35 3dtw n GLY 909 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3dtw n GLY 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dtw n GLY 910 N 0.00 2.04 3.81 -0.02 0.00 -1.26 -5.16 105.19 104.60 3dtw n GLY 910 Ca 0.00 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3dtw n GLY 910 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dtw s PRO 911 N -2.02 3.33 0.24 1.61 0.04 -1.26 -4.98 135.00 131.97 3dtw s PRO 911 Ca 0.02 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 3dtw s PRO 911 Cb -0.00 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3dtw s PRO 911 CO 0.01 -0.80 1.22 -1.17 0.04 0.00 0.00 177.00 176.31 3dtw s LEU 912 N -4.57 4.46 -0.03 -3.56 2.96 -1.26 -4.83 118.68 111.85 3dtw s LEU 912 Ca 0.63 2.38 -0.02 0.00 -0.22 0.00 0.00 54.13 56.90 3dtw s LEU 912 Cb -0.15 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.93 3dtw s LEU 912 CO 0.38 -0.39 0.07 -0.04 -1.32 0.00 0.00 176.35 175.06 3dtw s MET 913 N -0.83 0.06 -0.16 1.98 -1.94 -0.89 -3.74 119.30 113.77 3dtw s MET 913 Ca 0.51 0.16 -0.00 0.00 -1.71 0.00 0.00 55.69 54.65 3dtw s MET 913 Cb -0.35 -0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.43 3dtw s MET 913 CO 0.42 -0.07 -0.15 0.08 -0.01 0.00 0.00 175.02 175.29 3dtw s VAL 914 N 0.46 2.71 -0.16 -6.03 1.01 -0.63 -0.79 120.40 116.96 3dtw s VAL 914 Ca -0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3dtw s VAL 914 Cb -0.05 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3dtw s VAL 914 CO -0.02 0.51 -0.02 -0.63 0.00 0.00 0.00 175.10 174.94 3dtw s ILE 915 N 0.87 4.03 0.22 2.22 1.01 0.21 -1.48 121.20 128.28 3dtw s ILE 915 Ca -0.04 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3dtw s ILE 915 Cb -0.15 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 3dtw s ILE 915 CO -0.01 0.49 -0.05 0.42 0.00 0.00 0.00 174.94 175.79 3dtw s THR 916 N 0.36 1.29 0.76 2.92 -4.23 -0.48 0.06 115.64 116.32 3dtw s THR 916 Ca -0.03 -2.08 -0.15 0.00 -1.18 0.00 0.00 61.69 58.25 3dtw s THR 916 Cb -0.14 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.49 3dtw s THR 916 CO 0.03 -0.43 1.00 -1.84 -0.54 0.00 0.00 174.62 172.84 3dtw n GLU 917 N -0.41 0.37 -3.69 3.99 0.28 0.04 -1.13 120.64 120.09 3dtw n GLU 917 Ca -0.06 0.19 -0.36 0.00 -0.16 0.00 0.00 57.16 56.76 3dtw n GLU 917 Cb 0.63 -2.26 -0.07 0.00 1.43 0.00 0.00 31.44 31.16 3dtw n GLU 917 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3dtw s PHE 918 N -1.94 3.47 -0.42 -1.84 5.36 -1.25 -4.37 117.98 117.00 3dtw s PHE 918 Ca 0.72 0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 57.12 3dtw s PHE 918 Cb -0.32 -2.18 0.11 0.00 -0.34 0.00 0.00 43.02 40.29 3dtw s PHE 918 CO 0.51 0.36 0.22 0.00 -1.46 0.00 0.00 175.22 174.86 3dtw n LYS 920 N 4.65 0.08 0.00 0.00 2.85 -1.25 -2.92 118.16 121.57 3dtw n LYS 920 Ca -0.04 0.49 0.12 0.00 -1.05 0.00 0.00 58.31 57.84 3dtw n LYS 920 Cb 0.41 -1.71 0.21 0.00 -0.65 0.00 0.00 35.03 33.29 3dtw n LYS 920 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3dtw n PHE 921 N -1.87 0.00 -4.03 5.58 3.01 -0.96 -5.07 117.46 114.12 3dtw n PHE 921 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3dtw n PHE 921 Cb 0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 3dtw n PHE 921 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dtw n GLY 922 N 1.37 -1.78 3.77 1.37 0.00 -1.15 -4.70 105.19 104.08 3dtw n GLY 922 Ca 0.11 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 3dtw n GLY 922 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dtw s ASN 923 N -4.00 6.51 0.47 1.61 2.20 -1.26 -1.47 114.94 119.01 3dtw s ASN 923 Ca 0.00 2.53 0.12 0.00 -0.94 0.00 0.00 52.86 54.57 3dtw s ASN 923 Cb 0.00 -2.63 1.10 0.00 -2.00 0.00 0.00 41.25 37.72 3dtw s ASN 923 CO 0.00 -0.70 2.11 0.25 -2.94 0.00 0.00 177.10 175.82 3dtw h LEU 924 N 2.84 0.20 -0.28 3.54 5.85 -0.19 -2.75 115.31 124.52 3dtw h LEU 924 Ca -0.49 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 3dtw h LEU 924 Cb 1.24 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3dtw h LEU 924 CO 0.63 0.14 0.04 -1.28 -0.34 0.00 0.00 178.44 177.64 3dtw h SER 925 N 0.23 0.45 -0.30 1.25 0.87 -1.84 0.13 113.55 114.35 3dtw h SER 925 Ca 0.07 -0.26 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 3dtw h SER 925 Cb -0.02 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3dtw h SER 925 CO -0.01 0.60 -0.37 0.74 -0.53 0.00 0.00 176.83 177.26 3dtw h THR 926 N 0.29 1.29 0.17 2.23 2.02 -1.88 0.69 112.91 117.71 3dtw h THR 926 Ca 0.09 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3dtw h THR 926 Cb 0.34 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3dtw h THR 926 CO 0.01 0.50 -0.16 0.22 0.37 0.00 0.00 175.52 176.46 3dtw h TYR 927 N 0.53 -0.41 -0.28 3.16 3.20 -1.43 -1.11 116.97 120.63 3dtw h TYR 927 Ca 0.04 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3dtw h TYR 927 Cb 0.95 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 3dtw h TYR 927 CO 0.07 -0.24 0.09 -0.07 -1.64 0.00 0.00 178.16 176.37 3dtw h LEU 928 N -0.35 0.09 -2.01 2.82 3.38 -0.73 -1.24 115.31 117.27 3dtw h LEU 928 Ca 0.00 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.15 3dtw h LEU 928 Cb 0.33 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3dtw h LEU 928 CO -0.04 0.09 0.42 -0.09 0.09 0.00 0.00 178.44 178.91 3dtw h ARG 929 N 0.21 0.00 -0.01 1.13 2.43 -0.53 -0.54 114.38 117.08 3dtw h ARG 929 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3dtw h ARG 929 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3dtw h ARG 929 CO -0.13 0.00 -0.23 -1.13 -1.51 0.00 0.00 179.97 176.96 3dtw n SER 930 N -4.07 0.79 -0.93 -3.80 3.41 -0.45 -3.90 113.62 104.67 3dtw n SER 930 Ca 0.09 -0.70 0.07 0.00 -0.26 0.00 0.00 58.87 58.08 3dtw n SER 930 Cb 0.63 0.07 0.23 0.00 -0.26 0.00 0.00 64.21 64.88 3dtw n SER 930 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dtw n LYS 931 N -0.84 3.05 0.15 4.33 4.76 -0.21 -4.53 118.16 124.86 3dtw n LYS 931 Ca 0.12 -2.46 0.11 0.00 -2.87 0.00 0.00 58.31 53.22 3dtw n LYS 931 Cb 0.33 -1.56 0.55 0.00 -1.84 0.00 0.00 35.03 32.51 3dtw n LYS 931 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3dtw n ARG 932 N 0.43 0.15 -0.59 1.97 1.74 -1.23 -0.62 116.66 118.51 3dtw n ARG 932 Ca 0.18 0.58 0.08 0.00 -0.77 0.00 0.00 57.85 57.91 3dtw n ARG 932 Cb 0.65 -1.93 0.32 0.00 -1.02 0.00 0.00 32.46 30.48 3dtw n ARG 932 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3dtw n ASN 933 N -2.24 4.58 -2.73 0.55 5.03 -1.26 -4.33 115.26 114.85 3dtw n ASN 933 Ca -0.00 -2.67 -0.04 0.00 0.87 0.00 0.00 54.58 52.74 3dtw n ASN 933 Cb 0.09 -0.56 0.07 0.00 -1.02 0.00 0.00 39.78 38.37 3dtw n ASN 933 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3dtw n GLU 934 N 0.50 1.40 -5.12 3.52 1.02 0.21 -5.09 120.64 117.08 3dtw n GLU 934 Ca 0.24 -2.65 -0.29 0.00 -0.02 0.00 0.00 57.16 54.43 3dtw n GLU 934 Cb 0.92 -0.80 -0.16 0.00 -0.02 0.00 0.00 31.44 31.38 3dtw n GLU 934 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3dtw s PHE 935 N -2.08 2.15 -0.04 -0.32 2.19 -1.19 -0.50 117.98 118.19 3dtw s PHE 935 Ca 0.22 -0.57 -0.00 0.00 0.33 0.00 0.00 56.93 56.91 3dtw s PHE 935 Cb 0.40 -1.41 0.03 0.00 -1.31 0.00 0.00 43.02 40.73 3dtw s PHE 935 CO -0.05 -0.15 0.01 0.14 1.83 0.00 0.00 175.22 177.00 3dtw s VAL 936 N -0.21 0.17 0.11 3.12 -7.23 -0.76 -4.97 120.40 110.63 3dtw s VAL 936 Ca -0.00 0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 60.13 3dtw s VAL 936 Cb -0.12 -0.30 -0.06 0.00 0.56 0.00 0.00 36.38 36.45 3dtw s VAL 936 CO 0.02 0.17 1.70 -0.65 -0.31 0.00 0.00 175.10 176.04 3dtw h PRO 937 N 7.67 0.33 0.00 4.82 0.11 -1.95 -3.34 132.00 139.64 3dtw h PRO 937 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3dtw h PRO 937 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dtw h PRO 937 CO 0.37 0.31 0.00 2.48 -0.21 0.00 0.00 178.00 180.95 3dtw n TYR 938 N -4.86 0.00 -3.53 0.65 0.18 -1.26 -2.73 117.16 105.62 3dtw n TYR 938 Ca -0.03 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.61 3dtw n TYR 938 Cb 0.08 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.05 3dtw n TYR 938 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3dtw n LYS 939 N 0.00 0.94 0.00 -3.48 5.02 -1.26 -4.54 118.16 114.84 3dtw n LYS 939 Ca 0.00 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 3dtw n LYS 939 Cb 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 3dtw n LYS 939 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dtw n TYR 996 N -1.40 0.00 -3.46 2.13 4.02 -1.26 -5.12 117.16 112.06 3dtw n TYR 996 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 3dtw n TYR 996 Cb 0.37 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.58 3dtw n TYR 996 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3dtw s LYS 997 N -2.79 0.26 -0.22 -0.72 1.02 -1.26 -4.97 119.74 111.06 3dtw s LYS 997 Ca 0.00 0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.45 3dtw s LYS 997 Cb 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.67 3dtw s LYS 997 CO 0.00 -0.57 0.11 -0.25 -0.92 0.00 0.00 175.35 173.71 3dtw n ASP 998 N 5.35 -2.30 -4.70 2.83 8.00 -1.26 -5.07 116.55 119.40 3dtw n ASP 998 Ca -0.05 -0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.06 3dtw n ASP 998 Cb 0.50 -1.15 -0.09 0.00 -0.02 0.00 0.00 41.12 40.36 3dtw n ASP 998 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dtw s PHE 999 N -2.72 3.16 0.22 1.24 0.40 -1.26 -4.98 117.98 114.04 3dtw s PHE 999 Ca 0.05 0.17 -0.18 0.00 -0.60 0.00 0.00 56.93 56.38 3dtw s PHE 999 Cb -0.02 -1.75 -0.08 0.00 0.51 0.00 0.00 43.02 41.68 3dtw s PHE 999 CO 0.07 0.49 0.69 -0.51 0.70 0.00 0.00 175.22 176.65 3dtw s LEU 1000N -1.21 4.30 0.21 -0.37 1.43 0.35 -4.97 118.68 118.41 3dtw s LEU 1000Ca 0.16 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 3dtw s LEU 1000Cb -0.11 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3dtw s LEU 1000CO 0.06 0.01 0.14 0.42 0.23 0.00 0.00 176.35 177.21 3dtw s THR 1001N -1.58 0.00 0.26 5.49 -4.23 -1.26 -1.83 115.64 112.49 3dtw s THR 1001Ca 0.44 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 3dtw s THR 1001Cb -0.15 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.43 3dtw s THR 1001CO 0.20 0.00 1.81 -0.07 -0.54 0.00 0.00 174.62 176.02 3dtw h LEU 1002N 2.59 0.75 -0.95 4.79 3.38 -1.63 -0.89 115.31 123.34 3dtw h LEU 1002Ca -0.35 0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.77 3dtw h LEU 1002Cb 1.25 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 3dtw h LEU 1002CO 0.52 0.40 0.59 -0.08 0.09 0.00 0.00 178.44 179.96 3dtw h GLU 1003N 0.84 0.95 0.01 1.13 4.81 -1.88 0.63 114.58 121.07 3dtw h GLU 1003Ca 0.44 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3dtw h GLU 1003Cb 0.44 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3dtw h GLU 1003CO -0.27 0.63 -0.00 0.45 -0.73 0.00 0.00 179.01 179.09 3dtw h HIS 1004N 0.97 -0.01 -0.51 0.92 3.86 -1.57 0.23 115.15 119.05 3dtw h HIS 1004Ca 0.46 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.73 3dtw h HIS 1004Cb 0.39 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 3dtw h HIS 1004CO -0.02 0.17 0.20 -0.07 0.86 0.00 0.00 177.93 179.06 3dtw h LEU 1005N -0.18 0.22 -0.13 2.43 3.38 -0.88 0.30 115.31 120.44 3dtw h LEU 1005Ca -0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3dtw h LEU 1005Cb 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3dtw h LEU 1005CO 0.00 0.15 0.02 0.40 0.09 0.00 0.00 178.44 179.11 3dtw h ILE 1006N 0.38 1.21 -0.71 1.22 2.04 -0.79 -1.38 117.51 119.48 3dtw h ILE 1006Ca 0.24 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.55 3dtw h ILE 1006Cb 0.25 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 3dtw h ILE 1006CO -0.24 0.20 0.31 0.00 0.00 0.00 0.00 178.15 178.42 3dtw h TYR 1008N 0.51 -0.03 -0.71 0.00 0.05 -0.27 -1.24 116.97 115.27 3dtw h TYR 1008Ca 0.37 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.28 3dtw h TYR 1008Cb 0.47 0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.12 3dtw h TYR 1008CO -0.14 0.10 0.25 0.77 -1.05 0.00 0.00 178.16 178.09 3dtw h SER 1009N -0.15 0.20 -0.15 3.88 0.02 -0.03 -0.46 113.55 116.86 3dtw h SER 1009Ca -0.00 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3dtw h SER 1009Cb 0.14 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3dtw h SER 1009CO 0.01 0.08 0.08 0.15 -1.14 0.00 0.00 176.83 176.01 3dtw h PHE 1010N 0.39 0.19 -0.27 3.45 3.57 0.49 -2.16 116.94 122.62 3dtw h PHE 1010Ca 0.38 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3dtw h PHE 1010Cb 0.58 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3dtw h PHE 1010CO -0.19 0.18 0.11 1.96 -2.23 0.00 0.00 178.31 178.15 3dtw h GLN 1011N 0.15 0.39 -0.13 1.11 4.20 -0.58 -1.75 115.11 118.51 3dtw h GLN 1011Ca 0.05 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3dtw h GLN 1011Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3dtw h GLN 1011CO -0.01 0.41 0.09 0.28 -0.67 0.00 0.00 178.83 178.93 3dtw h VAL 1012N 0.28 0.99 -0.21 -0.54 2.07 -1.03 0.87 116.25 118.68 3dtw h VAL 1012Ca 0.09 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 67.39 3dtw h VAL 1012Cb 0.16 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3dtw h VAL 1012CO -0.01 0.02 -0.61 0.00 0.02 0.00 0.00 177.57 176.99 3dtw h ALA 1013N 1.93 0.36 -0.56 1.67 0.00 -0.93 -2.05 119.26 119.67 3dtw h ALA 1013Ca 0.05 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3dtw h ALA 1013Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dtw h ALA 1013CO -0.01 0.61 0.12 0.87 0.00 0.00 0.00 179.25 180.84 3dtw h LYS 1014N 0.52 0.87 -0.38 0.00 1.57 -0.33 -0.34 116.57 118.48 3dtw h LYS 1014Ca -0.02 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3dtw h LYS 1014Cb 1.23 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3dtw h LYS 1014CO 0.13 0.80 0.19 0.78 -0.57 0.00 0.00 179.45 180.78 3dtw h GLY 1015N 0.99 0.59 1.24 3.86 0.00 -0.78 -1.83 103.07 107.14 3dtw h GLY 1015Ca 0.18 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3dtw h GLY 1015CO 0.00 0.27 -0.14 -0.33 0.00 0.00 0.00 176.54 176.35 3dtw h MET 1016N 0.48 0.89 -0.47 4.80 2.86 -0.96 -1.68 114.93 120.86 3dtw h MET 1016Ca 0.13 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3dtw h MET 1016Cb 0.11 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3dtw h MET 1016CO -0.02 0.97 0.27 1.49 1.06 0.00 0.00 176.91 180.68 3dtw h GLU 1017N 0.79 0.53 0.23 1.72 4.81 -0.92 0.18 114.58 121.92 3dtw h GLU 1017Ca 0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3dtw h GLU 1017Cb 0.66 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3dtw h GLU 1017CO 0.05 0.35 -0.33 0.35 -0.73 0.00 0.00 179.01 178.70 3dtw h PHE 1018N 0.55 -0.89 -0.21 0.92 3.57 -1.07 0.18 116.94 119.99 3dtw h PHE 1018Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3dtw h PHE 1018Cb 0.02 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3dtw h PHE 1018CO -0.07 -0.45 0.14 -0.07 -2.23 0.00 0.00 178.31 175.63 3dtw h LEU 1019N -0.62 0.15 -0.17 0.59 3.38 -0.82 -1.49 115.31 116.33 3dtw h LEU 1019Ca 0.00 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3dtw h LEU 1019Cb 0.60 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dtw h LEU 1019CO -0.12 0.10 -0.25 0.00 0.09 0.00 0.00 178.44 178.26 3dtw h ALA 1020N 1.88 0.25 0.00 1.53 0.00 -0.07 -1.15 119.26 121.71 3dtw h ALA 1020Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dtw h ALA 1020Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dtw h ALA 1020CO -0.01 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 3dtw n SER 1021N -4.42 0.00 -0.28 0.00 3.41 0.57 -0.68 113.62 112.21 3dtw n SER 1021Ca -0.06 -0.12 0.07 0.00 -0.26 0.00 0.00 58.87 58.50 3dtw n SER 1021Cb 0.44 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.50 3dtw n SER 1021CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dtw n ARG 1022N -0.94 0.94 -3.61 4.33 1.74 -1.12 -4.98 116.66 113.03 3dtw n ARG 1022Ca 0.02 -2.23 -0.22 0.00 -0.77 0.00 0.00 57.85 54.66 3dtw n ARG 1022Cb 0.01 -1.20 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 3dtw n ARG 1022CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3dtw n LYS 1023N -0.97 -4.13 -4.68 5.56 4.81 0.14 -5.00 118.16 113.89 3dtw n LYS 1023Ca 0.12 0.65 -0.25 0.00 -0.87 0.00 0.00 58.31 57.96 3dtw n LYS 1023Cb 0.68 -5.18 -0.14 0.00 0.02 0.00 0.00 35.03 30.41 3dtw n LYS 1023CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dtw s ILE 1025N -0.68 1.70 0.01 0.00 -4.36 -1.26 -4.10 121.20 112.52 3dtw s ILE 1025Ca 0.06 -0.77 -0.25 0.00 -0.26 0.00 0.00 60.65 59.43 3dtw s ILE 1025Cb -0.08 -1.61 -0.18 0.00 1.25 0.00 0.00 42.46 41.84 3dtw s ILE 1025CO 0.01 0.43 1.36 -0.74 0.24 0.00 0.00 174.94 176.24 3dtw h HIS 1026N 8.01 -0.14 0.00 1.37 -0.00 -1.95 -3.47 115.15 118.97 3dtw h HIS 1026Ca -0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3dtw h HIS 1026Cb 1.13 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3dtw h HIS 1026CO 0.48 0.19 0.00 0.54 -0.00 0.00 0.00 177.93 179.14 3dtw n ARG 1027N -5.01 0.00 -2.70 5.26 1.74 -1.26 -4.70 116.66 109.99 3dtw n ARG 1027Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 3dtw n ARG 1027Cb 0.21 -1.42 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 3dtw n ARG 1027CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dtw n ASP 1028N 0.00 0.69 -4.58 0.55 2.03 -1.26 -5.02 116.55 108.96 3dtw n ASP 1028Ca 0.00 -2.49 -0.42 0.00 0.52 0.00 0.00 54.79 52.40 3dtw n ASP 1028Cb 0.00 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 3dtw n ASP 1028CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3dtw s LEU 1029N -3.34 3.45 0.30 -2.67 2.96 -1.26 -4.81 118.68 113.30 3dtw s LEU 1029Ca 0.25 0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.58 3dtw s LEU 1029Cb 0.42 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 3dtw s LEU 1029CO -0.01 -1.68 0.45 0.00 -1.32 0.00 0.00 176.35 173.79 3dtw s ALA 1030N 6.15 0.41 0.29 5.97 0.00 -1.26 -4.55 121.76 128.77 3dtw s ALA 1030Ca 0.57 -1.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3dtw s ALA 1030Cb -0.12 1.13 0.44 0.00 0.00 0.00 0.00 23.12 24.57 3dtw s ALA 1030CO 0.27 -0.80 1.85 0.00 0.00 0.00 0.00 175.76 177.08 3dtw h ALA 1031N 2.20 1.26 0.00 0.00 0.00 -1.92 -1.88 119.26 118.93 3dtw h ALA 1031Ca -0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dtw h ALA 1031Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3dtw h ALA 1031CO 0.39 0.52 0.00 0.07 0.00 0.00 0.00 179.25 180.23 3dtw h ARG 1032N 0.78 0.00 -0.56 0.00 0.11 -1.95 -1.84 114.38 110.93 3dtw h ARG 1032Ca 0.18 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.06 3dtw h ARG 1032Cb 0.25 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.21 3dtw h ARG 1032CO -0.01 0.00 0.16 0.09 0.10 0.00 0.00 179.97 180.32 3dtw n ASN 1033N -2.80 3.84 -4.00 0.08 3.02 -0.71 -4.81 115.26 109.88 3dtw n ASN 1033Ca -0.01 -3.38 -0.30 0.00 -0.03 0.00 0.00 54.58 50.86 3dtw n ASN 1033Cb 0.13 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.46 3dtw n ASN 1033CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dtw s ILE 1034N -3.07 1.57 0.19 2.41 -1.09 -0.69 -2.14 121.20 118.37 3dtw s ILE 1034Ca 0.50 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 58.02 3dtw s ILE 1034Cb 0.41 -1.58 -0.06 0.00 -1.58 0.00 0.00 42.46 39.65 3dtw s ILE 1034CO 0.08 0.29 0.46 -0.76 -1.23 0.00 0.00 174.94 173.78 3dtw s LEU 1035N 1.45 4.21 -0.08 2.97 1.43 0.01 0.29 118.68 128.96 3dtw s LEU 1035Ca 0.01 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3dtw s LEU 1035Cb -0.15 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3dtw s LEU 1035CO -0.09 -0.01 -0.11 -0.22 0.23 0.00 0.00 176.35 176.14 3dtw s LEU 1036N -2.76 2.88 0.00 1.79 2.96 -0.54 -0.46 118.68 122.55 3dtw s LEU 1036Ca 0.44 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3dtw s LEU 1036Cb -0.12 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3dtw s LEU 1036CO 0.23 0.29 0.00 -1.20 -1.32 0.00 0.00 176.35 174.35 3dtw n SER 1037N 2.71 1.95 -4.77 3.68 7.64 0.31 -2.27 113.62 122.86 3dtw n SER 1037Ca -0.18 -0.16 -0.34 0.00 1.01 0.00 0.00 58.87 59.20 3dtw n SER 1037Cb 0.53 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3dtw n SER 1037CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3dtw s GLU 1038N 0.53 3.12 -1.38 1.43 0.41 -1.26 -3.73 118.70 117.81 3dtw s GLU 1038Ca 0.00 1.52 -0.07 0.00 -0.41 0.00 0.00 54.97 56.01 3dtw s GLU 1038Cb 0.00 -1.98 0.03 0.00 -1.78 0.00 0.00 34.13 30.40 3dtw s GLU 1038CO 0.00 -1.02 1.02 1.63 -0.49 0.00 0.00 175.26 176.40 3dtw n LYS 1039N -1.78 -6.55 -4.11 1.61 5.02 -1.26 -3.12 118.16 107.97 3dtw n LYS 1039Ca 0.11 0.73 -0.35 0.00 -2.02 0.00 0.00 58.31 56.78 3dtw n LYS 1039Cb 0.51 -5.65 -0.03 0.00 -0.02 0.00 0.00 35.03 29.84 3dtw n LYS 1039CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dtw n ASN 1040N -2.99 -1.47 -4.33 4.39 4.13 -1.24 -4.95 115.26 108.80 3dtw n ASN 1040Ca -0.08 -1.21 -0.35 0.00 1.68 0.00 0.00 54.58 54.62 3dtw n ASN 1040Cb 0.59 -2.08 -0.14 0.00 -1.54 0.00 0.00 39.78 36.61 3dtw n ASN 1040CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3dtw s VAL 1041N -3.95 3.36 0.18 2.41 1.01 -1.18 -4.91 120.40 117.32 3dtw s VAL 1041Ca 0.20 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3dtw s VAL 1041Cb -0.10 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3dtw s VAL 1041CO 0.96 0.44 0.32 0.68 0.00 0.00 0.00 175.10 177.50 3dtw s VAL 1042N 1.31 5.29 -0.03 2.92 -7.23 -1.26 -0.53 120.40 120.86 3dtw s VAL 1042Ca 0.04 -0.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 3dtw s VAL 1042Cb -0.14 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.04 3dtw s VAL 1042CO -0.02 -0.16 0.08 -0.54 -0.31 0.00 0.00 175.10 174.15 3dtw s LYS 1043N -3.41 0.08 0.05 4.82 1.02 0.39 -4.45 119.74 118.25 3dtw s LYS 1043Ca 0.35 0.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.22 3dtw s LYS 1043Cb -0.11 -0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.14 3dtw s LYS 1043CO 0.29 -0.04 0.85 0.42 -0.92 0.00 0.00 175.35 175.94 3dtw s ILE 1044N 0.27 4.69 0.00 2.17 1.01 0.17 -0.81 121.20 128.70 3dtw s ILE 1044Ca -0.02 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3dtw s ILE 1044Cb -0.03 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3dtw s ILE 1044CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 174.94 175.25 3dtw s ASP 1046N -0.37 -1.29 0.00 0.00 -1.08 -1.26 -4.82 116.67 107.85 3dtw s ASP 1046Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 3dtw s ASP 1046Cb 0.00 2.01 0.00 0.00 -1.46 0.00 0.00 42.92 43.47 3dtw s ASP 1046CO 0.00 -0.28 0.00 0.49 0.52 0.00 0.00 175.17 175.90 3dtw n PHE 1047N 5.42 0.00 0.00 -5.34 3.01 -1.26 -5.10 117.46 114.19 3dtw n PHE 1047Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3dtw n PHE 1047Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3dtw n PHE 1047CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dtw n GLY 1048N 2.55 1.93 3.94 1.37 0.00 -1.26 -5.06 105.19 108.66 3dtw n GLY 1048Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3dtw n GLY 1048CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dtw s LEU 1049N 0.00 2.80 -0.10 0.99 2.96 -1.26 -5.17 118.68 118.90 3dtw s LEU 1049Ca 0.00 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3dtw s LEU 1049Cb 0.00 -2.54 0.13 0.00 0.50 0.00 0.00 46.19 44.28 3dtw s LEU 1049CO 0.00 -2.10 1.33 0.54 -1.32 0.00 0.00 176.35 174.80 3dtw n ARG 1066N -3.23 1.27 0.12 1.98 1.74 -1.26 -5.21 116.66 112.07 3dtw n ARG 1066Ca 0.12 -0.62 -0.14 0.00 -0.77 0.00 0.00 57.85 56.44 3dtw n ARG 1066Cb 0.60 -1.24 -0.06 0.00 -1.02 0.00 0.00 32.46 30.73 3dtw n ARG 1066CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3dtw h LEU 1067N 1.31 -1.02 -0.57 0.55 5.85 -2.04 -3.08 115.31 116.31 3dtw h LEU 1067Ca 0.13 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3dtw h LEU 1067Cb 1.31 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3dtw h LEU 1067CO 0.24 -0.44 0.65 1.55 -0.34 0.00 0.00 178.44 180.11 3dtw h PRO 1068N -0.59 0.00 0.00 5.25 0.13 -2.04 -0.97 132.00 133.79 3dtw h PRO 1068Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3dtw h PRO 1068Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 3dtw h PRO 1068CO -0.20 0.00 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.39 3dtw h LEU 1069N 0.00 0.00 0.00 1.56 3.38 -1.93 -2.59 115.31 115.73 3dtw h LEU 1069Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dtw h LEU 1069Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3dtw h LEU 1069CO 0.00 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.93 3dtw n LYS 1070N -3.21 0.34 -0.00 1.13 5.02 -0.37 -2.10 118.16 118.97 3dtw n LYS 1070Ca 0.01 0.09 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 3dtw n LYS 1070Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 3dtw n LYS 1070CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dtw n TRP 1071N -1.20 0.00 -2.90 2.13 8.01 -0.98 -4.97 117.44 117.53 3dtw n TRP 1071Ca 0.10 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.92 3dtw n TRP 1071Cb 0.12 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.31 29.31 3dtw n TRP 1071CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3dtw s MET 1072N -1.81 4.45 0.48 -0.99 -1.94 -0.89 -4.07 119.30 114.53 3dtw s MET 1072Ca 0.01 1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 54.99 3dtw s MET 1072Cb 0.04 -2.80 -0.07 0.00 2.01 0.00 0.00 34.83 34.01 3dtw s MET 1072CO 0.24 0.31 0.92 0.00 -0.01 0.00 0.00 175.02 176.48 3dtw s ALA 1073N -1.61 3.15 0.19 3.03 0.00 -1.26 -4.88 121.76 120.38 3dtw s ALA 1073Ca 0.48 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 3dtw s ALA 1073Cb -0.17 -3.00 0.14 0.00 0.00 0.00 0.00 23.12 20.09 3dtw s ALA 1073CO 0.22 -0.17 1.59 -1.35 0.00 0.00 0.00 175.76 176.05 3dtw h PRO 1074N 1.01 -0.14 -0.84 0.00 0.11 -1.96 -0.67 132.00 129.51 3dtw h PRO 1074Ca -0.47 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3dtw h PRO 1074Cb 1.19 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3dtw h PRO 1074CO 0.62 -0.09 0.41 1.05 -0.21 0.00 0.00 178.00 179.78 3dtw h GLU 1075N -0.14 1.20 -0.67 1.05 9.09 -1.93 0.33 114.58 123.52 3dtw h GLU 1075Ca 0.25 -0.17 -0.03 0.00 0.05 0.00 0.00 59.36 59.46 3dtw h GLU 1075Cb 0.55 -0.22 -0.03 0.00 -1.65 0.00 0.00 28.75 27.40 3dtw h GLU 1075CO -0.69 0.92 0.31 1.15 0.05 0.00 0.00 179.01 180.75 3dtw h THR 1076N 1.19 1.22 0.24 -1.06 2.02 -1.31 0.28 112.91 115.49 3dtw h THR 1076Ca 0.29 -0.64 -0.33 0.00 0.77 0.00 0.00 66.41 66.49 3dtw h THR 1076Cb 0.11 0.37 0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3dtw h THR 1076CO -0.04 0.27 -1.47 0.40 0.37 0.00 0.00 175.52 175.05 3dtw h ILE 1077N 0.96 1.30 -0.14 3.11 2.04 -0.63 -0.23 117.51 123.91 3dtw h ILE 1077Ca 0.23 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.35 3dtw h ILE 1077Cb 0.12 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3dtw h ILE 1077CO -0.03 0.82 0.00 0.49 0.00 0.00 0.00 178.15 179.43 3dtw n PHE 1078N -3.69 0.18 0.00 1.37 3.72 0.11 -4.47 117.46 114.68 3dtw n PHE 1078Ca -0.16 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 3dtw n PHE 1078Cb 1.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.64 3dtw n PHE 1078CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dtw n ASP 1079N 0.06 0.00 -0.07 4.37 8.00 0.07 -5.01 116.55 123.97 3dtw n ASP 1079Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3dtw n ASP 1079Cb 0.25 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3dtw n ASP 1079CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3dtw n ARG 1080N -1.76 0.00 -3.46 -1.24 0.63 -0.10 -5.03 116.66 105.71 3dtw n ARG 1080Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3dtw n ARG 1080Cb 0.00 -0.48 -0.09 0.00 0.45 0.00 0.00 32.46 32.34 3dtw n ARG 1080CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3dtw s VAL 1081N -2.15 5.01 -0.24 5.15 1.01 -1.25 -4.99 120.40 122.95 3dtw s VAL 1081Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 3dtw s VAL 1081Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3dtw s VAL 1081CO 0.00 -0.49 0.13 -0.31 0.00 0.00 0.00 175.10 174.44 3dtw s TYR 1082N 1.60 3.25 0.06 5.22 1.51 -1.26 -3.75 117.35 123.98 3dtw s TYR 1082Ca 0.04 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.09 3dtw s TYR 1082Cb -0.23 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.38 3dtw s TYR 1082CO 0.07 -0.01 0.20 0.95 -1.11 0.00 0.00 175.55 175.64 3dtw s THR 1083N 1.11 0.12 0.62 -0.71 -4.23 -1.26 -5.01 115.64 106.28 3dtw s THR 1083Ca 0.06 -0.96 0.24 0.00 -1.18 0.00 0.00 61.69 59.85 3dtw s THR 1083Cb -0.14 -1.05 0.31 0.00 1.34 0.00 0.00 72.50 72.96 3dtw s THR 1083CO 0.05 -0.53 1.57 0.40 -0.54 0.00 0.00 174.62 175.57 3dtw h ILE 1084N 3.21 0.12 -0.03 2.99 2.04 -1.98 0.47 117.51 124.34 3dtw h ILE 1084Ca -0.33 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3dtw h ILE 1084Cb 1.19 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3dtw h ILE 1084CO 0.51 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 180.03 3dtw h GLN 1085N 0.00 0.18 -0.03 2.37 7.50 -1.95 -3.14 115.11 120.04 3dtw h GLN 1085Ca 0.23 -0.15 0.01 0.00 0.50 0.00 0.00 58.65 59.23 3dtw h GLN 1085Cb 1.77 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 29.33 3dtw h GLN 1085CO -0.00 0.83 0.09 0.66 -1.50 0.00 0.00 178.83 178.91 3dtw h SER 1086N -0.43 0.00 0.67 1.46 4.64 -0.42 0.34 113.55 119.81 3dtw h SER 1086Ca -0.02 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 3dtw h SER 1086Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 3dtw h SER 1086CO 0.04 0.00 -0.88 0.44 -0.87 0.00 0.00 176.83 175.55 3dtw h ASP 1087N 0.00 0.18 1.00 4.97 3.32 -1.46 -2.71 116.42 121.72 3dtw h ASP 1087Ca 0.01 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3dtw h ASP 1087Cb 0.19 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3dtw h ASP 1087CO -0.00 0.98 -0.16 0.58 -1.72 0.00 0.00 179.24 178.92 3dtw h VAL 1088N 0.07 0.39 0.08 -1.35 2.07 -0.29 0.42 116.25 117.65 3dtw h VAL 1088Ca -0.04 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3dtw h VAL 1088Cb 1.53 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3dtw h VAL 1088CO 0.13 0.16 -0.04 -0.25 0.02 0.00 0.00 177.57 177.59 3dtw h TRP 1089N 0.00 -0.11 -0.44 1.57 2.91 -1.30 -2.69 115.95 115.88 3dtw h TRP 1089Ca -0.00 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.10 3dtw h TRP 1089Cb 0.70 0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.32 3dtw h TRP 1089CO 0.00 0.35 0.03 0.77 -1.03 0.00 0.00 178.44 178.56 3dtw h SER 1090N -0.61 -0.12 -0.81 2.65 0.02 -1.06 0.37 113.55 113.99 3dtw h SER 1090Ca -0.01 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.21 3dtw h SER 1090Cb 0.50 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 3dtw h SER 1090CO 0.02 -0.03 0.54 0.15 -1.14 0.00 0.00 176.83 176.37 3dtw h PHE 1091N 0.15 0.49 -0.13 3.45 3.57 -0.19 0.31 116.94 124.58 3dtw h PHE 1091Ca 0.22 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3dtw h PHE 1091Cb 0.31 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3dtw h PHE 1091CO -0.26 0.16 0.05 0.78 -2.23 0.00 0.00 178.31 176.81 3dtw h GLY 1092N 0.40 0.16 1.13 2.40 0.00 0.08 0.10 103.07 107.33 3dtw h GLY 1092Ca 0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 3dtw h GLY 1092CO -0.14 0.02 0.20 -2.08 0.00 0.00 0.00 176.54 174.54 3dtw h VAL 1093N 0.11 1.26 -0.39 4.60 2.07 -0.13 -2.44 116.25 121.34 3dtw h VAL 1093Ca 0.05 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3dtw h VAL 1093Cb 0.03 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3dtw h VAL 1093CO -0.05 0.35 0.19 0.25 0.02 0.00 0.00 177.57 178.33 3dtw h LEU 1094N 1.04 0.28 -0.74 2.57 5.85 -0.00 -1.60 115.31 122.72 3dtw h LEU 1094Ca 0.22 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3dtw h LEU 1094Cb 0.32 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3dtw h LEU 1094CO -0.00 0.21 0.42 -0.07 -0.34 0.00 0.00 178.44 178.65 3dtw h LEU 1095N 0.39 0.62 -0.55 2.25 3.38 -0.47 -1.52 115.31 119.42 3dtw h LEU 1095Ca 0.16 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3dtw h LEU 1095Cb 0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3dtw h LEU 1095CO -0.11 0.39 0.33 -0.25 0.09 0.00 0.00 178.44 178.88 3dtw h TRP 1096N 0.75 0.62 0.27 1.13 7.01 -0.93 -1.40 115.95 123.41 3dtw h TRP 1096Ca 0.34 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.36 3dtw h TRP 1096Cb 0.23 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3dtw h TRP 1096CO -0.07 0.36 -0.27 0.93 -2.79 0.00 0.00 178.44 176.60 3dtw h GLU 1097N 0.66 -0.54 -0.06 2.65 5.08 -0.60 -1.35 114.58 120.42 3dtw h GLU 1097Ca 0.22 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3dtw h GLU 1097Cb 0.02 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3dtw h GLU 1097CO -0.10 -0.36 -0.32 0.82 -1.00 0.00 0.00 179.01 178.06 3dtw h ILE 1098N -0.56 0.30 0.00 3.13 2.04 -1.03 -0.42 117.51 120.96 3dtw h ILE 1098Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dtw h ILE 1098Cb 0.52 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3dtw h ILE 1098CO -0.06 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.58 3dtw n PHE 1099N -5.41 0.00 -0.27 1.37 3.72 -0.55 -0.86 117.46 115.47 3dtw n PHE 1099Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3dtw n PHE 1099Cb 0.32 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 3dtw n PHE 1099CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3dtw n SER 1100N -0.23 1.62 -3.90 4.37 3.41 -0.24 -1.53 113.62 117.11 3dtw n SER 1100Ca 0.00 -1.87 -0.39 0.00 -0.26 0.00 0.00 58.87 56.35 3dtw n SER 1100Cb 0.09 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3dtw n SER 1100CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dtw n LEU 1101N -0.45 -1.36 -0.19 1.04 4.77 -0.04 -2.74 117.00 118.05 3dtw n LEU 1101Ca 0.01 -1.15 -0.02 0.00 -0.03 0.00 0.00 56.01 54.81 3dtw n LEU 1101Cb 0.32 -1.90 -0.01 0.00 -2.33 0.00 0.00 43.42 39.51 3dtw n LEU 1101CO 0.00 0.62 -0.02 0.61 -1.33 0.00 0.00 177.39 177.27 3dtw n GLY 1102N -1.91 0.54 3.82 -0.72 0.00 -0.81 -3.52 105.19 102.57 3dtw n GLY 1102Ca -0.12 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3dtw n GLY 1102CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtw s ALA 1103N -2.09 2.08 -0.20 4.61 0.00 -1.11 -4.76 121.76 120.30 3dtw s ALA 1103Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 3dtw s ALA 1103Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 3dtw s ALA 1103CO 0.00 -2.00 0.13 0.45 0.00 0.00 0.00 175.76 174.34 3dtw s SER 1104N -4.12 6.22 0.63 0.00 0.15 -1.26 -4.80 113.70 110.52 3dtw s SER 1104Ca 0.63 0.24 -0.18 0.00 0.70 0.00 0.00 55.95 57.34 3dtw s SER 1104Cb -0.14 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 3dtw s SER 1104CO 0.53 0.18 0.99 -0.81 1.20 0.00 0.00 173.24 175.33 3dtw n PRO 1105N 3.49 0.83 -3.92 5.44 -0.04 -1.26 -3.63 135.00 135.89 3dtw n PRO 1105Ca -0.16 0.33 -0.34 0.00 -0.04 0.00 0.00 63.50 63.29 3dtw n PRO 1105Cb 0.52 -2.21 0.01 0.00 -0.04 0.00 0.00 33.50 31.78 3dtw n PRO 1105CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dtw n TYR 1106N -1.92 -1.63 -1.62 0.54 4.01 -1.26 -4.86 117.16 110.41 3dtw n TYR 1106Ca 0.14 0.44 -0.39 0.00 -0.16 0.00 0.00 57.90 57.93 3dtw n TYR 1106Cb 0.48 -3.28 0.03 0.00 -0.31 0.00 0.00 39.34 36.26 3dtw n TYR 1106CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3dtw n PRO 1107N -4.52 1.16 -0.55 -0.72 -0.04 -1.24 -2.20 135.00 126.90 3dtw n PRO 1107Ca -0.18 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3dtw n PRO 1107Cb 0.62 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3dtw n PRO 1107CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dtw n GLY 1108N 1.22 0.39 3.96 0.55 0.00 -1.26 -4.96 105.19 105.09 3dtw n GLY 1108Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3dtw n GLY 1108CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dtw s VAL 1109N -1.86 5.20 -0.17 1.61 1.01 -0.93 -5.10 120.40 120.17 3dtw s VAL 1109Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3dtw s VAL 1109Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3dtw s VAL 1109CO 0.00 -0.38 -0.17 -0.54 0.00 0.00 0.00 175.10 174.01 3dtw s LYS 1110N -4.06 3.12 -0.27 2.72 1.02 -1.26 -5.07 119.74 115.94 3dtw s LYS 1110Ca 0.36 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 3dtw s LYS 1110Cb -0.09 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3dtw s LYS 1110CO 0.31 -0.08 1.83 0.42 -0.92 0.00 0.00 175.35 176.91 3dtw s ILE 1111N 1.03 3.43 0.00 2.17 -1.09 -1.26 -4.67 121.20 120.81 3dtw s ILE 1111Ca -0.01 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 3dtw s ILE 1111Cb -0.15 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 3dtw s ILE 1111CO -0.05 -0.30 0.00 -0.90 -1.23 0.00 0.00 174.94 172.47 3dtw n ASP 1112N 9.92 0.00 0.22 3.58 3.85 -1.26 -5.01 116.55 127.85 3dtw n ASP 1112Ca 0.23 0.00 -0.11 0.00 -0.71 0.00 0.00 54.79 54.19 3dtw n ASP 1112Cb 0.46 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.17 3dtw n ASP 1112CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3dtw h GLU 1113N 0.00 -0.64 -0.86 0.11 4.39 -1.99 -1.49 114.58 114.09 3dtw h GLU 1113Ca 0.00 0.04 0.25 0.00 0.34 0.00 0.00 59.36 59.99 3dtw h GLU 1113Cb 0.00 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3dtw h GLU 1113CO 0.00 -0.43 0.73 0.93 -1.16 0.00 0.00 179.01 179.09 3dtw h GLU 1114N -0.67 0.00 0.16 2.33 5.08 -1.98 0.53 114.58 120.04 3dtw h GLU 1114Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3dtw h GLU 1114Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3dtw h GLU 1114CO 0.01 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.30 3dtw h PHE 1115N 0.00 -0.19 -0.73 4.33 3.57 -1.62 0.21 116.94 122.50 3dtw h PHE 1115Ca 0.41 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 3dtw h PHE 1115Cb 1.87 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.64 3dtw h PHE 1115CO 0.00 0.17 0.24 0.00 -2.23 0.00 0.00 178.31 176.49 3dtw h ARG 1117N 1.08 -0.62 -0.94 0.00 2.43 -0.14 0.69 114.38 116.89 3dtw h ARG 1117Ca 0.24 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.66 3dtw h ARG 1117Cb 0.27 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 3dtw h ARG 1117CO -0.01 -0.41 0.61 0.00 -1.51 0.00 0.00 179.97 178.65 3dtw h ARG 1118N -0.73 0.46 -0.36 0.20 3.08 -0.93 0.91 114.38 117.00 3dtw h ARG 1118Ca -0.07 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 3dtw h ARG 1118Cb 0.49 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3dtw h ARG 1118CO 0.11 0.30 -0.29 1.25 -1.07 0.00 0.00 179.97 180.27 3dtw h LEU 1119N 0.47 0.80 -1.02 3.04 5.85 -0.80 0.22 115.31 123.88 3dtw h LEU 1119Ca 0.50 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3dtw h LEU 1119Cb 1.15 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3dtw h LEU 1119CO -0.22 1.04 -0.46 0.50 -0.34 0.00 0.00 178.44 178.96 3dtw h LYS 1120N 0.66 0.00 0.00 1.25 3.64 0.27 -0.83 116.57 121.56 3dtw h LYS 1120Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3dtw h LYS 1120Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3dtw h LYS 1120CO 0.07 0.46 0.00 0.39 -2.27 0.00 0.00 179.45 178.10 3dtw n GLU 1121N -3.84 0.07 -0.17 1.90 1.02 0.25 -4.91 120.64 114.97 3dtw n GLU 1121Ca -0.01 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3dtw n GLU 1121Cb 0.51 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3dtw n GLU 1121CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtw n GLY 1122N 1.03 0.90 3.73 0.62 0.00 0.03 -5.04 105.19 106.46 3dtw n GLY 1122Ca 0.06 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3dtw n GLY 1122CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dtw s THR 1123N -2.00 3.68 0.35 2.61 2.01 0.57 -4.98 115.64 117.88 3dtw s THR 1123Ca 0.00 1.31 0.06 0.00 0.31 0.00 0.00 61.69 63.37 3dtw s THR 1123Cb 0.00 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 3dtw s THR 1123CO 0.00 0.16 0.01 -0.13 -0.69 0.00 0.00 174.62 173.97 3dtw s ARG 1124N 0.36 1.75 0.29 4.92 1.81 -1.26 -4.59 118.95 122.22 3dtw s ARG 1124Ca 0.56 -1.96 -0.28 0.00 -1.72 0.00 0.00 55.73 52.33 3dtw s ARG 1124Cb -0.32 -1.24 -0.09 0.00 -0.45 0.00 0.00 34.95 32.85 3dtw s ARG 1124CO 0.33 -0.08 0.99 -1.64 -0.68 0.00 0.00 175.30 174.22 3dtw s MET 1125N -3.78 4.65 0.32 3.54 -1.94 -1.26 -5.02 119.30 115.80 3dtw s MET 1125Ca 0.35 1.52 -0.27 0.00 -1.71 0.00 0.00 55.69 55.57 3dtw s MET 1125Cb 0.08 -3.04 -0.09 0.00 2.01 0.00 0.00 34.83 33.78 3dtw s MET 1125CO 0.16 0.31 1.01 0.50 -0.01 0.00 0.00 175.02 176.98 3dtw s ARG 1126N -1.63 4.55 0.20 2.03 3.52 -1.26 -4.94 118.95 121.41 3dtw s ARG 1126Ca 0.46 1.52 -0.29 0.00 -0.13 0.00 0.00 55.73 57.29 3dtw s ARG 1126Cb -0.25 -2.92 -0.17 0.00 -1.56 0.00 0.00 34.95 30.05 3dtw s ARG 1126CO 0.31 0.20 0.69 0.00 -0.81 0.00 0.00 175.30 175.70 3dtw n ALA 1127N 0.74 -2.35 -1.54 6.12 0.00 -1.26 -4.95 120.51 117.26 3dtw n ALA 1127Ca 0.01 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 3dtw n ALA 1127Cb 0.48 -1.72 0.10 0.00 0.00 0.00 0.00 19.45 18.31 3dtw n ALA 1127CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dtw s PRO 1128N -0.98 1.98 0.45 0.00 0.04 -1.26 -5.00 135.00 130.23 3dtw s PRO 1128Ca 0.66 0.61 0.12 0.00 0.04 0.00 0.00 61.00 62.43 3dtw s PRO 1128Cb -0.91 -1.91 1.01 0.00 0.04 0.00 0.00 34.50 32.73 3dtw s PRO 1128CO 0.57 -1.69 2.06 -0.44 0.04 0.00 0.00 177.00 177.53 3dtw h ASP 1129N -1.14 0.19 -0.35 6.66 5.19 -1.91 -3.13 116.42 121.93 3dtw h ASP 1129Ca -0.47 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3dtw h ASP 1129Cb 1.27 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3dtw h ASP 1129CO 0.59 0.20 0.00 -1.22 -3.12 0.00 0.00 179.24 175.70 3dtw n TYR 1130N -4.44 0.71 -1.37 4.55 4.02 -0.58 -5.01 117.16 115.04 3dtw n TYR 1130Ca -0.01 -0.63 -0.30 0.00 -0.01 0.00 0.00 57.90 56.95 3dtw n TYR 1130Cb 0.13 -0.14 0.11 0.00 -0.02 0.00 0.00 39.34 39.43 3dtw n TYR 1130CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3dtw s THR 1131N -1.67 2.90 0.44 -0.72 -1.32 -1.19 -4.94 115.64 109.15 3dtw s THR 1131Ca 0.32 0.29 0.06 0.00 -1.21 0.00 0.00 61.69 61.15 3dtw s THR 1131Cb 0.21 -2.90 -0.05 0.00 -1.51 0.00 0.00 72.50 68.25 3dtw s THR 1131CO 0.14 -0.38 0.08 0.42 -2.21 0.00 0.00 174.62 172.67 3dtw s THR 1132N -3.03 1.89 0.05 5.08 -4.23 -1.26 -5.00 115.64 109.14 3dtw s THR 1132Ca 0.62 -1.88 -0.33 0.00 -1.18 0.00 0.00 61.69 58.92 3dtw s THR 1132Cb -0.16 -2.77 -0.19 0.00 1.34 0.00 0.00 72.50 70.72 3dtw s THR 1132CO 0.56 0.00 1.46 -0.65 -0.54 0.00 0.00 174.62 175.45 3dtw h PRO 1133N 1.52 -1.00 -0.92 3.99 0.11 -2.00 -2.09 132.00 131.61 3dtw h PRO 1133Ca -0.43 0.07 0.15 0.00 0.11 0.00 0.00 66.00 65.90 3dtw h PRO 1133Cb 1.26 0.23 -0.09 0.00 0.11 0.00 0.00 31.00 32.51 3dtw h PRO 1133CO 0.75 -0.65 0.52 0.93 -0.21 0.00 0.00 178.00 179.34 3dtw h GLU 1134N -1.13 0.72 -0.28 1.05 3.07 -1.99 -1.70 114.58 114.32 3dtw h GLU 1134Ca -0.11 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.67 3dtw h GLU 1134Cb 0.81 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3dtw h GLU 1134CO 0.17 0.48 0.03 1.98 -1.40 0.00 0.00 179.01 180.27 3dtw h MET 1135N 0.74 0.48 -0.68 2.33 4.05 -1.97 -1.67 114.93 118.22 3dtw h MET 1135Ca 0.50 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.75 3dtw h MET 1135Cb 0.67 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 3dtw h MET 1135CO -0.34 0.61 0.32 -0.92 0.23 0.00 0.00 176.91 176.81 3dtw h TYR 1136N 0.28 0.96 -0.40 1.39 3.20 -0.79 -1.49 116.97 120.12 3dtw h TYR 1136Ca 0.08 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3dtw h TYR 1136Cb 0.37 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3dtw h TYR 1136CO 0.03 0.70 0.26 0.37 -1.64 0.00 0.00 178.16 177.88 3dtw h GLN 1137N 0.96 0.51 -0.74 1.82 5.75 -1.09 -0.22 115.11 122.10 3dtw h GLN 1137Ca 0.24 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.85 3dtw h GLN 1137Cb 0.11 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 3dtw h GLN 1137CO -0.03 0.34 0.50 1.15 -2.65 0.00 0.00 178.83 178.13 3dtw h THR 1138N 0.52 0.81 -0.33 2.39 2.02 -0.33 0.22 112.91 118.21 3dtw h THR 1138Ca 0.15 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3dtw h THR 1138Cb -0.04 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3dtw h THR 1138CO -0.05 0.08 -0.07 0.24 0.37 0.00 0.00 175.52 176.10 3dtw h MET 1139N 0.43 0.63 -0.59 6.66 2.86 -0.32 -2.15 114.93 122.46 3dtw h MET 1139Ca 0.36 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 3dtw h MET 1139Cb 0.79 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 3dtw h MET 1139CO -0.12 0.80 0.13 -0.07 1.06 0.00 0.00 176.91 178.71 3dtw h LEU 1140N 0.41 0.86 -0.55 1.22 3.38 0.38 -2.14 115.31 118.88 3dtw h LEU 1140Ca 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3dtw h LEU 1140Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dtw h LEU 1140CO 0.03 0.85 0.20 0.44 0.09 0.00 0.00 178.44 180.05 3dtw h ASP 1141N 0.88 0.77 -0.21 -0.43 3.32 -0.80 -2.62 116.42 117.33 3dtw h ASP 1141Ca 0.19 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3dtw h ASP 1141Cb 0.34 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3dtw h ASP 1141CO 0.00 0.75 0.05 0.00 -1.72 0.00 0.00 179.24 178.32 3dtw n TRP 1143N -4.34 2.06 -2.27 0.00 8.01 -0.83 -3.83 117.44 116.24 3dtw n TRP 1143Ca 0.01 -1.86 -0.40 0.00 -1.31 0.00 0.00 57.50 53.94 3dtw n TRP 1143Cb 0.19 -0.92 -0.03 0.00 -2.01 0.00 0.00 31.31 28.54 3dtw n TRP 1143CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 3dtw s HIS 1144N -2.33 3.22 0.17 -5.99 2.46 -0.91 -4.94 115.29 106.99 3dtw s HIS 1144Ca 0.40 1.54 -0.12 0.00 0.47 0.00 0.00 55.06 57.34 3dtw s HIS 1144Cb 0.32 -3.50 0.08 0.00 -0.13 0.00 0.00 32.58 29.35 3dtw s HIS 1144CO 0.03 -1.33 1.77 0.78 -2.47 0.00 0.00 174.74 173.52 3dtw h GLY 1145N 3.38 0.90 -6.91 1.59 0.00 -1.92 -3.39 103.07 96.72 3dtw h GLY 1145Ca -0.48 -0.43 -0.58 0.00 0.00 0.00 0.00 47.33 45.84 3dtw h GLY 1145CO 0.65 0.41 0.79 -0.54 0.00 0.00 0.00 176.54 177.85 3dtw s GLU 1146N -5.76 3.54 0.30 4.80 0.41 -1.26 -4.91 118.70 115.82 3dtw s GLU 1146Ca -0.13 0.22 0.05 0.00 -0.41 0.00 0.00 54.97 54.70 3dtw s GLU 1146Cb 0.13 -3.97 0.79 0.00 -1.78 0.00 0.00 34.13 29.29 3dtw s GLU 1146CO 0.78 -1.44 1.66 -1.35 -0.49 0.00 0.00 175.26 174.42 3dtw h PRO 1147N 9.30 0.28 0.00 0.39 0.11 -1.97 0.48 132.00 140.58 3dtw h PRO 1147Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dtw h PRO 1147Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3dtw h PRO 1147CO 1.11 0.19 0.00 0.66 -0.21 0.00 0.00 178.00 179.75 3dtw h SER 1148N 0.29 0.00 -0.02 -2.05 4.64 -1.94 -2.71 113.55 111.75 3dtw h SER 1148Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3dtw h SER 1148Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3dtw h SER 1148CO -0.61 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.27 3dtw n GLN 1149N -2.45 2.10 -3.04 4.77 1.13 0.17 -4.92 117.38 115.13 3dtw n GLN 1149Ca 0.01 -1.72 -0.34 0.00 -1.94 0.00 0.00 57.00 53.01 3dtw n GLN 1149Cb 0.20 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.02 3dtw n GLN 1149CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3dtw s ARG 1150N -2.09 4.13 1.21 -1.09 0.52 -1.02 -4.95 118.95 115.67 3dtw s ARG 1150Ca 0.27 0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 56.16 3dtw s ARG 1150Cb 0.20 -2.49 0.29 0.00 0.52 0.00 0.00 34.95 33.47 3dtw s ARG 1150CO 0.35 0.17 1.03 -1.25 0.02 0.00 0.00 175.30 175.61 3dtw s PRO 1151N -2.78 -1.26 0.18 3.54 0.04 -1.26 -5.04 135.00 128.43 3dtw s PRO 1151Ca 0.53 0.47 0.06 0.00 0.04 0.00 0.00 61.00 62.10 3dtw s PRO 1151Cb -0.12 -1.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 3dtw s PRO 1151CO 0.18 -3.85 0.12 0.95 0.04 0.00 0.00 177.00 174.44 3dtw s THR 1152N -2.59 4.35 0.55 1.26 -4.23 -1.26 -4.95 115.64 108.77 3dtw s THR 1152Ca 0.68 -1.18 0.24 0.00 -1.18 0.00 0.00 61.69 60.25 3dtw s THR 1152Cb -0.19 -3.23 0.36 0.00 1.34 0.00 0.00 72.50 70.77 3dtw s THR 1152CO 0.61 -0.14 2.06 -0.26 -0.54 0.00 0.00 174.62 176.35 3dtw h PHE 1153N 2.34 0.00 -0.15 3.99 0.04 -1.94 0.39 116.94 121.62 3dtw h PHE 1153Ca -0.48 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.12 3dtw h PHE 1153Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 3dtw h PHE 1153CO 0.59 0.00 -0.63 0.77 -0.60 0.00 0.00 178.31 178.44 3dtw h SER 1154N 0.00 0.61 -0.29 2.17 0.02 -1.94 0.35 113.55 114.46 3dtw h SER 1154Ca 0.14 -0.35 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 3dtw h SER 1154Cb 0.61 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3dtw h SER 1154CO -0.00 1.08 -0.40 -0.33 -1.14 0.00 0.00 176.83 176.05 3dtw h GLU 1155N 0.39 0.84 -0.25 3.45 5.08 -0.87 -2.50 114.58 120.73 3dtw h GLU 1155Ca -0.01 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3dtw h GLU 1155Cb 1.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3dtw h GLU 1155CO 0.12 1.08 0.09 -0.07 -1.00 0.00 0.00 179.01 179.23 3dtw h LEU 1156N 0.69 0.35 -1.19 1.33 3.38 -0.10 -0.76 115.31 119.01 3dtw h LEU 1156Ca 0.06 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3dtw h LEU 1156Cb 0.97 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3dtw h LEU 1156CO 0.09 0.44 0.56 0.58 0.09 0.00 0.00 178.44 180.21 3dtw h VAL 1157N 0.24 1.09 0.57 1.22 2.07 -0.26 -0.30 116.25 120.89 3dtw h VAL 1157Ca 0.08 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3dtw h VAL 1157Cb 0.21 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3dtw h VAL 1157CO -0.00 0.18 -0.27 -0.08 0.02 0.00 0.00 177.57 177.41 3dtw h GLU 1158N 1.01 -0.74 -0.60 1.57 4.81 -1.18 -2.11 114.58 117.33 3dtw h GLU 1158Ca 0.36 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.76 3dtw h GLU 1158Cb 0.14 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.57 3dtw h GLU 1158CO -0.12 -0.49 -0.26 1.25 -0.73 0.00 0.00 179.01 178.65 3dtw h HIS 1159N -1.19 -0.66 -0.75 0.92 2.76 -0.87 -0.91 115.15 114.44 3dtw h HIS 1159Ca -0.08 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 3dtw h HIS 1159Cb 0.59 0.38 -0.03 0.00 1.55 0.00 0.00 27.41 29.90 3dtw h HIS 1159CO 0.00 -0.34 0.27 -0.07 -1.30 0.00 0.00 177.93 176.49 3dtw h LEU 1160N -0.10 1.06 -0.67 0.26 3.38 -1.15 -0.81 115.31 117.28 3dtw h LEU 1160Ca 0.27 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3dtw h LEU 1160Cb 0.52 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3dtw h LEU 1160CO -0.67 0.96 0.36 1.23 0.09 0.00 0.00 178.44 180.41 3dtw h GLY 1161N 1.13 0.99 0.93 0.83 0.00 -0.48 0.39 103.07 106.85 3dtw h GLY 1161Ca 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3dtw h GLY 1161CO -0.01 0.11 -0.30 3.43 0.00 0.00 0.00 176.54 179.77 3dtw h ASN 1162N 0.64 -0.70 -0.65 0.19 -0.26 -0.68 -1.00 115.58 113.12 3dtw h ASN 1162Ca 0.31 -0.00 0.19 0.00 -0.56 0.00 0.00 56.30 56.24 3dtw h ASN 1162Cb 0.25 0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 3dtw h ASN 1162CO -0.22 -0.45 0.55 -0.07 -1.06 0.00 0.00 177.43 176.19 3dtw h LEU 1163N -0.92 0.00 0.03 1.61 3.38 -0.68 -2.19 115.31 116.53 3dtw h LEU 1163Ca -0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3dtw h LEU 1163Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3dtw h LEU 1163CO 0.14 0.00 -0.17 0.25 0.09 0.00 0.00 178.44 178.75 3dtw h LEU 1164N 0.00 0.09 -1.19 1.67 5.85 -0.50 -3.28 115.31 117.95 3dtw h LEU 1164Ca 0.31 -0.99 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3dtw h LEU 1164Cb 1.40 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3dtw h LEU 1164CO -0.00 1.08 0.00 0.00 -0.34 0.00 0.00 178.44 179.18 3dtw n GLN 1165N -4.52 0.40 0.00 1.25 6.02 -0.42 -5.08 117.38 115.03 3dtw n GLN 1165Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3dtw n GLN 1165Cb 0.55 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.59 3dtw n GLN 1165CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05