#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqb n PRO 817 N 0.00 -0.24 -4.91 -0.72 -0.02 -1.26 -4.75 135.00 123.11 2wqb n PRO 817 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 2wqb n PRO 817 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 2wqb n PRO 817 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wqb s VAL 818 N -0.65 2.97 -0.12 -1.45 1.01 -1.26 -3.48 120.40 117.42 2wqb s VAL 818 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2wqb s VAL 818 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2wqb s VAL 818 CO 0.00 0.58 -0.01 -0.76 0.00 0.00 0.00 175.10 174.90 2wqb s LEU 819 N -0.50 3.44 0.02 3.92 2.01 0.11 -4.83 118.68 122.86 2wqb s LEU 819 Ca 0.06 0.02 -0.23 0.00 0.01 0.00 0.00 54.13 54.00 2wqb s LEU 819 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 46.19 44.22 2wqb s LEU 819 CO 0.02 0.28 0.69 -0.62 1.01 0.00 0.00 176.35 177.73 2wqb s ASP 820 N -0.31 7.11 0.27 2.29 2.15 -1.26 -4.54 116.67 122.38 2wqb s ASP 820 Ca 0.06 1.32 -0.00 0.00 0.43 0.00 0.00 52.55 54.36 2wqb s ASP 820 Cb -0.12 -2.42 0.52 0.00 -0.30 0.00 0.00 42.92 40.60 2wqb s ASP 820 CO 0.02 0.06 1.81 -0.25 -0.17 0.00 0.00 175.17 176.64 2wqb h TRP 821 N 5.64 1.01 0.00 -5.34 2.91 -1.97 -2.00 115.95 116.20 2wqb h TRP 821 Ca -0.44 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.61 2wqb h TRP 821 Cb 1.20 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 2wqb h TRP 821 CO 0.65 0.37 0.00 0.09 -1.03 0.00 0.00 178.44 178.52 2wqb n ASN 822 N -4.70 0.00 -0.39 2.65 3.02 -1.26 -1.54 115.26 113.04 2wqb n ASN 822 Ca 0.18 -0.77 0.08 0.00 -0.03 0.00 0.00 54.58 54.04 2wqb n ASN 822 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2wqb n ASN 822 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wqb n ASP 823 N -0.82 1.70 -4.74 6.41 8.00 -0.75 -4.94 116.55 121.41 2wqb n ASP 823 Ca 0.09 -1.35 -0.38 0.00 0.71 0.00 0.00 54.79 53.86 2wqb n ASP 823 Cb 0.04 0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 2wqb n ASP 823 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wqb s ILE 824 N -1.94 5.12 -0.30 0.53 1.01 -0.59 -3.29 121.20 121.74 2wqb s ILE 824 Ca 0.14 1.05 0.01 0.00 0.00 0.00 0.00 60.65 61.86 2wqb s ILE 824 Cb 0.14 -3.86 0.09 0.00 0.01 0.00 0.00 42.46 38.84 2wqb s ILE 824 CO 0.41 0.35 0.04 -0.54 0.00 0.00 0.00 174.94 175.20 2wqb s LYS 825 N 0.40 1.19 0.25 2.79 3.01 -0.66 -4.95 119.74 121.78 2wqb s LYS 825 Ca 0.28 -1.30 -0.30 0.00 -1.01 0.00 0.00 55.97 53.65 2wqb s LYS 825 Cb -0.16 -2.54 -0.09 0.00 -1.01 0.00 0.00 37.83 34.03 2wqb s LYS 825 CO 0.13 -0.86 1.15 -0.06 0.51 0.00 0.00 175.35 176.21 2wqb s PHE 826 N 1.33 3.48 -0.11 3.18 0.40 -1.26 -1.24 117.98 123.76 2wqb s PHE 826 Ca 0.06 1.59 0.04 0.00 -0.60 0.00 0.00 56.93 58.02 2wqb s PHE 826 Cb -0.18 -3.37 -0.10 0.00 0.51 0.00 0.00 43.02 39.88 2wqb s PHE 826 CO -0.14 -0.87 -0.05 1.04 0.70 0.00 0.00 175.22 175.89 2wqb n GLN 827 N 1.60 1.18 -3.60 0.44 1.13 0.23 -4.95 117.38 113.41 2wqb n GLN 827 Ca 0.01 0.04 -0.04 0.00 -1.94 0.00 0.00 57.00 55.07 2wqb n GLN 827 Cb 0.44 -1.25 -0.02 0.00 0.11 0.00 0.00 30.24 29.53 2wqb n GLN 827 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wqb s ASP 828 N -4.78 -0.18 0.19 1.08 3.68 -1.18 -4.98 116.67 110.49 2wqb s ASP 828 Ca -0.12 -0.07 -0.10 0.00 2.13 0.00 0.00 52.55 54.40 2wqb s ASP 828 Cb 0.04 0.24 -0.07 0.00 -1.45 0.00 0.00 42.92 41.68 2wqb s ASP 828 CO 0.33 -0.40 0.51 -0.69 0.13 0.00 0.00 175.17 175.04 2wqb s VAL 829 N -2.67 4.97 -0.07 1.11 1.01 -1.26 0.05 120.40 123.54 2wqb s VAL 829 Ca 0.10 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2wqb s VAL 829 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2wqb s VAL 829 CO -0.05 0.03 -0.07 0.27 0.00 0.00 0.00 175.10 175.28 2wqb s ILE 830 N -1.70 0.84 0.00 2.22 -4.36 -0.65 -4.82 121.20 112.73 2wqb s ILE 830 Ca 0.43 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.57 2wqb s ILE 830 Cb -0.12 -0.84 0.00 0.00 1.25 0.00 0.00 42.46 42.75 2wqb s ILE 830 CO 0.21 0.31 0.00 0.61 0.24 0.00 0.00 174.94 176.31 2wqb n GLY 831 N 4.30 0.96 2.02 6.27 0.00 -1.26 -4.37 105.19 113.11 2wqb n GLY 831 Ca -0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2wqb n GLY 831 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wqb n GLU 832 N 0.46 0.00 0.00 1.61 -0.58 -1.26 -5.08 120.64 115.78 2wqb n GLU 832 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wqb n GLU 832 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wqb n GLU 832 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wqb n GLY 833 N 1.05 1.82 0.00 0.62 0.00 -1.26 -4.90 105.19 102.52 2wqb n GLY 833 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2wqb n GLY 833 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wqb n GLY 836 N 0.00 0.88 3.38 -0.02 0.00 -1.26 -5.13 105.19 103.04 2wqb n GLY 836 Ca 0.00 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 2wqb n GLY 836 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wqb s GLN 837 N 3.02 3.01 0.14 1.61 -2.07 -1.26 -5.04 119.66 119.07 2wqb s GLN 837 Ca 0.00 -1.35 0.07 0.00 -1.82 0.00 0.00 55.36 52.26 2wqb s GLN 837 Cb 0.00 -4.17 -0.04 0.00 -1.09 0.00 0.00 33.01 27.71 2wqb s GLN 837 CO 0.00 -1.15 -0.16 0.14 -1.32 0.00 0.00 175.29 172.80 2wqb s VAL 838 N 1.85 1.56 0.02 3.63 -7.23 -1.26 -3.46 120.40 115.51 2wqb s VAL 838 Ca 0.06 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2wqb s VAL 838 Cb -0.25 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 2wqb s VAL 838 CO 0.07 -0.36 0.05 -0.76 -0.31 0.00 0.00 175.10 173.79 2wqb s LEU 839 N -2.54 1.94 -0.17 1.32 1.02 -0.76 -1.63 118.68 117.87 2wqb s LEU 839 Ca 0.12 -0.47 -0.14 0.00 0.02 0.00 0.00 54.13 53.66 2wqb s LEU 839 Cb -0.05 0.42 -0.05 0.00 0.02 0.00 0.00 46.19 46.53 2wqb s LEU 839 CO 0.05 -0.41 0.28 -0.75 0.02 0.00 0.00 176.35 175.54 2wqb s LYS 840 N -1.99 4.25 0.23 1.70 2.20 0.11 -1.03 119.74 125.21 2wqb s LYS 840 Ca -0.10 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 2wqb s LYS 840 Cb -0.05 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2wqb s LYS 840 CO -0.02 0.23 0.05 0.00 -0.36 0.00 0.00 175.35 175.26 2wqb n ALA 841 N 3.60 0.28 -3.53 3.13 0.00 -0.85 0.74 120.51 123.88 2wqb n ALA 841 Ca -0.12 -1.12 -0.24 0.00 0.00 0.00 0.00 53.44 51.96 2wqb n ALA 841 Cb 0.52 0.71 -0.17 0.00 0.00 0.00 0.00 19.45 20.51 2wqb n ALA 841 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wqb s ARG 842 N -2.86 1.57 0.30 0.00 0.52 -0.37 -2.93 118.95 115.17 2wqb s ARG 842 Ca 0.07 -0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.02 2wqb s ARG 842 Cb 0.00 -1.35 -0.04 0.00 0.52 0.00 0.00 34.95 34.08 2wqb s ARG 842 CO 0.05 -0.02 0.03 0.96 0.02 0.00 0.00 175.30 176.34 2wqb s ILE 843 N 0.81 3.20 -0.17 1.52 -4.36 -0.08 -1.65 121.20 120.47 2wqb s ILE 843 Ca -0.12 -1.88 -0.05 0.00 -0.26 0.00 0.00 60.65 58.35 2wqb s ILE 843 Cb -0.15 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 2wqb s ILE 843 CO 0.02 -0.30 -0.01 -0.75 0.24 0.00 0.00 174.94 174.14 2wqb s LYS 844 N -3.72 3.71 -0.12 0.37 2.36 -1.21 -1.34 119.74 119.80 2wqb s LYS 844 Ca 0.33 -0.49 -0.04 0.00 -2.55 0.00 0.00 55.97 53.23 2wqb s LYS 844 Cb -0.04 -3.03 0.06 0.00 -1.05 0.00 0.00 37.83 33.77 2wqb s LYS 844 CO 0.20 0.18 0.17 0.21 1.55 0.00 0.00 175.35 177.66 2wqb s LYS 845 N 0.57 0.08 -1.34 4.03 2.20 0.16 -4.83 119.74 120.60 2wqb s LYS 845 Ca -0.01 0.42 -0.07 0.00 -0.36 0.00 0.00 55.97 55.94 2wqb s LYS 845 Cb -0.14 -0.65 0.02 0.00 -1.51 0.00 0.00 37.83 35.54 2wqb s LYS 845 CO 0.02 -0.43 1.10 -0.25 -0.36 0.00 0.00 175.35 175.44 2wqb n ASP 846 N 5.32 -5.01 -0.16 1.43 8.00 -1.26 -2.31 116.55 122.56 2wqb n ASP 846 Ca -0.05 -0.60 -0.02 0.00 0.71 0.00 0.00 54.79 54.83 2wqb n ASP 846 Cb 0.50 -4.90 -0.01 0.00 -0.02 0.00 0.00 41.12 36.69 2wqb n ASP 846 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wqb n GLY 847 N -1.76 0.44 3.52 0.44 0.00 -1.26 -5.01 105.19 101.56 2wqb n GLY 847 Ca -0.07 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2wqb n GLY 847 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wqb s LEU 848 N -0.48 2.82 -0.16 0.99 1.43 -0.98 -5.13 118.68 117.18 2wqb s LEU 848 Ca 0.00 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2wqb s LEU 848 Cb 0.00 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2wqb s LEU 848 CO 0.00 0.15 -0.03 -0.13 0.23 0.00 0.00 176.35 176.57 2wqb s ARG 849 N -2.43 3.69 0.05 1.70 0.52 -1.26 -0.67 118.95 120.56 2wqb s ARG 849 Ca 0.21 -0.50 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 2wqb s ARG 849 Cb -0.10 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.48 2wqb s ARG 849 CO 0.12 0.26 0.47 0.00 0.02 0.00 0.00 175.30 176.17 2wqb s MET 850 N 0.33 0.99 0.28 3.54 0.23 -0.45 -5.00 119.30 119.23 2wqb s MET 850 Ca -0.03 -0.32 -0.29 0.00 -1.03 0.00 0.00 55.69 54.02 2wqb s MET 850 Cb -0.14 0.45 -0.09 0.00 -1.53 0.00 0.00 34.83 33.51 2wqb s MET 850 CO 0.03 -0.35 1.17 -0.51 -2.03 0.00 0.00 175.02 173.32 2wqb s ASP 851 N -2.04 7.12 0.24 -1.18 -0.00 -1.26 -0.90 116.67 118.65 2wqb s ASP 851 Ca -0.05 2.37 0.06 0.00 -0.00 0.00 0.00 52.55 54.93 2wqb s ASP 851 Cb -0.01 -2.63 -0.05 0.00 -0.00 0.00 0.00 42.92 40.23 2wqb s ASP 851 CO -0.03 -0.28 -0.06 0.00 -0.00 0.00 0.00 175.17 174.81 2wqb s ALA 852 N -0.96 2.09 -0.16 5.23 0.00 -1.15 -3.96 121.76 122.84 2wqb s ALA 852 Ca 0.47 -1.80 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 2wqb s ALA 852 Cb -0.34 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2wqb s ALA 852 CO 0.43 -0.10 -0.07 0.00 0.00 0.00 0.00 175.76 176.03 2wqb s ALA 853 N -3.14 2.85 -0.15 0.00 0.00 -0.62 -2.01 121.76 118.69 2wqb s ALA 853 Ca 0.27 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2wqb s ALA 853 Cb 0.03 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 2wqb s ALA 853 CO 0.09 0.09 -0.13 0.42 0.00 0.00 0.00 175.76 176.23 2wqb s ILE 854 N 0.60 2.96 -0.05 0.00 -1.09 -0.20 -1.02 121.20 122.40 2wqb s ILE 854 Ca -0.04 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 57.75 2wqb s ILE 854 Cb -0.15 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 2wqb s ILE 854 CO 0.03 0.51 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.32 2wqb s LYS 855 N 0.68 2.53 -0.41 2.79 2.20 -0.88 -1.83 119.74 124.83 2wqb s LYS 855 Ca -0.06 -0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 54.67 2wqb s LYS 855 Cb -0.15 -2.32 0.05 0.00 -1.51 0.00 0.00 37.83 33.89 2wqb s LYS 855 CO 0.02 0.54 0.28 0.50 -0.36 0.00 0.00 175.35 176.33 2wqb s ARG 856 N -0.54 2.84 0.05 4.03 3.52 -1.22 -0.61 118.95 127.02 2wqb s ARG 856 Ca 0.07 -1.21 -0.08 0.00 -0.13 0.00 0.00 55.73 54.38 2wqb s ARG 856 Cb -0.11 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 2wqb s ARG 856 CO 0.01 -0.84 0.34 -1.64 -0.81 0.00 0.00 175.30 172.36 2wqb s MET 857 N 1.57 3.67 0.40 5.12 -1.94 -0.48 -4.84 119.30 122.79 2wqb s MET 857 Ca 0.03 0.04 -0.25 0.00 -1.71 0.00 0.00 55.69 53.81 2wqb s MET 857 Cb -0.21 -3.02 -0.09 0.00 2.01 0.00 0.00 34.83 33.52 2wqb s MET 857 CO 0.06 0.59 1.11 -1.59 -0.01 0.00 0.00 175.02 175.19 2wqb s LYS 858 N -1.90 4.11 3.89 2.03 0.00 -1.26 -3.06 119.74 123.54 2wqb s LYS 858 Ca 0.31 1.69 0.00 0.00 0.00 0.00 0.00 55.97 57.97 2wqb s LYS 858 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.07 2wqb s LYS 858 CO 0.18 -0.23 0.00 -0.85 0.00 0.00 0.00 175.35 174.44 2wqb n GLU 859 N 0.02 0.00 0.00 1.78 0.00 -1.26 -4.93 120.64 116.25 2wqb n GLU 859 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2wqb n GLU 859 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.92 2wqb n GLU 859 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2wqb n LEU 873 N 0.00 0.00 -0.05 -1.84 -0.00 -1.26 -4.61 117.00 109.24 2wqb n LEU 873 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 2wqb n LEU 873 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2wqb n LEU 873 CO 0.00 0.00 -0.88 -0.62 -0.00 0.00 0.00 177.39 175.89 2wqb n GLU 874 N -0.27 0.69 -0.02 1.96 1.02 -1.26 -3.57 120.64 119.18 2wqb n GLU 874 Ca 0.00 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2wqb n GLU 874 Cb 0.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 2wqb n GLU 874 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2wqb h VAL 875 N 0.02 1.13 -0.12 2.62 3.04 -1.96 -1.38 116.25 119.60 2wqb h VAL 875 Ca -0.43 -0.39 0.03 0.00 -1.01 0.00 0.00 66.70 64.90 2wqb h VAL 875 Cb 2.05 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 32.49 2wqb h VAL 875 CO 0.04 0.12 0.12 -0.07 -1.01 0.00 0.00 177.57 176.77 2wqb h LEU 876 N 0.06 0.00 -0.40 3.16 4.07 -2.02 -1.76 115.31 118.42 2wqb h LEU 876 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2wqb h LEU 876 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2wqb h LEU 876 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 2wqb s LYS 878 N -1.60 0.39 0.00 0.00 -2.85 -0.66 -3.07 119.74 111.94 2wqb s LYS 878 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 2wqb s LYS 878 Cb 0.00 -0.41 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 2wqb s LYS 878 CO 0.00 -1.03 0.00 -0.11 0.10 0.00 0.00 175.35 174.31 2wqb n LEU 879 N 5.34 0.00 0.24 2.77 7.94 -1.26 -4.72 117.00 127.31 2wqb n LEU 879 Ca -0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.02 2wqb n LEU 879 Cb 0.48 0.00 0.51 0.00 0.53 0.00 0.00 43.42 44.94 2wqb n LEU 879 CO -0.01 0.00 1.11 1.23 -1.11 0.00 0.00 177.39 178.61 2wqb h GLY 880 N 0.00 0.00 1.56 -3.96 0.00 -1.77 -2.08 103.07 96.82 2wqb h GLY 880 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wqb h GLY 880 CO 0.00 0.00 0.18 0.45 0.00 0.00 0.00 176.54 177.17 2wqb h HIS 881 N 0.00 0.00 -3.54 5.60 3.86 -1.84 -3.38 115.15 115.85 2wqb h HIS 881 Ca 0.08 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.77 2wqb h HIS 881 Cb 1.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.85 2wqb h HIS 881 CO 0.00 0.00 0.38 -1.58 0.86 0.00 0.00 177.93 177.59 2wqb s HIS 882 N -3.55 3.77 0.40 2.45 5.04 -0.78 -4.97 115.29 117.63 2wqb s HIS 882 Ca -0.02 1.76 0.39 0.00 -1.54 0.00 0.00 55.06 55.65 2wqb s HIS 882 Cb 0.06 -3.09 1.99 0.00 0.04 0.00 0.00 32.58 31.57 2wqb s HIS 882 CO 0.19 0.08 2.19 -1.00 -2.34 0.00 0.00 174.74 173.85 2wqb h PRO 883 N 5.67 0.00 -0.59 2.88 0.13 -1.91 -1.37 132.00 136.81 2wqb h PRO 883 Ca -0.43 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 2wqb h PRO 883 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 2wqb h PRO 883 CO 0.72 0.00 0.20 0.09 -0.23 0.00 0.00 178.00 178.78 2wqb n ASN 884 N -2.99 3.58 -3.79 1.44 4.13 -1.26 -4.82 115.26 111.55 2wqb n ASN 884 Ca -0.02 -3.49 -0.27 0.00 1.68 0.00 0.00 54.58 52.48 2wqb n ASN 884 Cb 0.14 -0.70 -0.17 0.00 -1.54 0.00 0.00 39.78 37.52 2wqb n ASN 884 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wqb s ILE 885 N -3.14 0.71 -0.41 2.41 1.01 -0.52 -1.03 121.20 120.23 2wqb s ILE 885 Ca 0.50 -0.55 -0.37 0.00 0.00 0.00 0.00 60.65 60.23 2wqb s ILE 885 Cb 0.42 -1.09 -0.16 0.00 0.01 0.00 0.00 42.46 41.64 2wqb s ILE 885 CO 0.07 -0.08 1.60 0.00 0.00 0.00 0.00 174.94 176.53 2wqb n ILE 886 N 4.99 0.00 -2.80 2.92 0.13 0.56 -4.52 119.36 120.64 2wqb n ILE 886 Ca -0.09 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.21 2wqb n ILE 886 Cb 0.47 -0.41 -0.07 0.00 -0.84 0.00 0.00 39.64 38.80 2wqb n ILE 886 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 2wqb s ASN 887 N 4.03 7.09 -0.03 9.51 2.47 -1.26 -4.57 114.94 132.17 2wqb s ASN 887 Ca 0.94 1.75 -0.23 0.00 0.42 0.00 0.00 52.86 55.74 2wqb s ASN 887 Cb -1.23 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 35.97 2wqb s ASN 887 CO 0.59 -0.25 0.70 -0.22 -3.72 0.00 0.00 177.10 174.20 2wqb s LEU 888 N -2.73 4.36 -0.20 3.21 2.96 -1.26 0.12 118.68 125.14 2wqb s LEU 888 Ca 0.57 1.25 -0.04 0.00 -0.22 0.00 0.00 54.13 55.69 2wqb s LEU 888 Cb -0.13 -3.10 -0.11 0.00 0.50 0.00 0.00 46.19 43.35 2wqb s LEU 888 CO 0.17 -0.06 -0.21 0.18 -1.32 0.00 0.00 176.35 175.11 2wqb n LEU 889 N 3.43 2.27 -3.59 -0.68 4.77 0.28 -4.85 117.00 118.62 2wqb n LEU 889 Ca -0.02 0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 2wqb n LEU 889 Cb 0.51 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2wqb n LEU 889 CO 0.47 0.64 0.86 -0.83 -1.33 0.00 0.00 177.39 177.19 2wqb s GLY 890 N -5.63 -0.36 0.06 -0.72 0.00 -0.54 -4.24 107.32 95.89 2wqb s GLY 890 Ca -0.27 1.01 0.01 0.00 0.00 0.00 0.00 44.72 45.46 2wqb s GLY 890 CO 0.40 0.31 -0.05 0.00 0.00 0.00 0.00 173.10 173.76 2wqb s ALA 891 N -2.81 0.62 -0.30 3.20 0.00 -1.23 0.18 121.76 121.43 2wqb s ALA 891 Ca 0.09 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 2wqb s ALA 891 Cb -0.00 0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.44 2wqb s ALA 891 CO -0.05 -0.22 0.90 0.00 0.00 0.00 0.00 175.76 176.40 2wqb s GLU 893 N 2.27 4.61 -0.18 0.00 8.01 -1.26 -0.29 118.70 131.86 2wqb s GLU 893 Ca -0.05 1.50 -0.07 0.00 0.01 0.00 0.00 54.97 56.36 2wqb s GLU 893 Cb -0.07 -3.39 0.08 0.00 -4.31 0.00 0.00 34.13 26.44 2wqb s GLU 893 CO -0.17 0.06 0.38 -1.58 0.01 0.00 0.00 175.26 173.96 2wqb s HIS 894 N 0.44 -0.68 -1.03 1.61 5.04 0.91 -4.90 115.29 116.69 2wqb s HIS 894 Ca 0.50 1.36 -0.25 0.00 -1.54 0.00 0.00 55.06 55.13 2wqb s HIS 894 Cb -0.24 0.23 0.03 0.00 0.04 0.00 0.00 32.58 32.65 2wqb s HIS 894 CO 0.30 -0.42 0.61 0.54 -2.34 0.00 0.00 174.74 173.42 2wqb n ARG 895 N 5.11 -0.55 -0.96 2.88 1.74 -1.26 -2.09 116.66 121.54 2wqb n ARG 895 Ca -0.12 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2wqb n ARG 895 Cb 0.51 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2wqb n ARG 895 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wqb n GLY 896 N -1.90 0.93 3.44 -0.13 0.00 -1.26 -4.98 105.19 101.29 2wqb n GLY 896 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2wqb n GLY 896 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wqb s TYR 897 N -3.73 2.23 -0.25 1.61 2.02 -0.89 -4.39 117.35 113.95 2wqb s TYR 897 Ca 0.00 -0.36 -0.05 0.00 -0.37 0.00 0.00 57.07 56.29 2wqb s TYR 897 Cb 0.00 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.55 2wqb s TYR 897 CO 0.00 0.61 0.00 -1.17 -1.57 0.00 0.00 175.55 173.43 2wqb s LEU 898 N -3.22 3.33 -0.22 -1.29 2.96 -1.17 -0.06 118.68 119.02 2wqb s LEU 898 Ca 0.26 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2wqb s LEU 898 Cb -0.06 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2wqb s LEU 898 CO 0.13 -0.10 0.12 -0.31 -1.32 0.00 0.00 176.35 174.86 2wqb s TYR 899 N 1.46 3.30 -0.37 5.38 4.12 0.60 -1.39 117.35 130.46 2wqb s TYR 899 Ca 0.03 0.16 -0.10 0.00 0.02 0.00 0.00 57.07 57.19 2wqb s TYR 899 Cb -0.16 -2.20 0.03 0.00 -1.52 0.00 0.00 41.96 38.12 2wqb s TYR 899 CO -0.01 0.10 0.18 -1.17 0.02 0.00 0.00 175.55 174.67 2wqb s LEU 900 N 0.78 4.62 -0.23 -1.29 2.96 0.22 -1.61 118.68 124.14 2wqb s LEU 900 Ca 0.06 -1.06 -0.17 0.00 -0.22 0.00 0.00 54.13 52.74 2wqb s LEU 900 Cb -0.13 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2wqb s LEU 900 CO 0.02 -0.38 0.47 0.00 -1.32 0.00 0.00 176.35 175.14 2wqb s ALA 901 N 1.50 3.56 0.15 5.97 0.00 0.13 -2.07 121.76 131.01 2wqb s ALA 901 Ca 0.01 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2wqb s ALA 901 Cb -0.19 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2wqb s ALA 901 CO 0.05 -0.52 -0.13 0.96 0.00 0.00 0.00 175.76 176.13 2wqb s ILE 902 N 1.79 1.37 0.11 0.00 -4.36 -0.19 -0.56 121.20 119.36 2wqb s ILE 902 Ca 0.21 -1.97 -0.35 0.00 -0.26 0.00 0.00 60.65 58.28 2wqb s ILE 902 Cb -0.15 -1.77 -0.17 0.00 1.25 0.00 0.00 42.46 41.61 2wqb s ILE 902 CO 0.09 -0.58 1.17 1.21 0.24 0.00 0.00 174.94 177.07 2wqb n GLU 903 N 0.04 0.84 -3.21 0.37 2.13 0.32 -1.58 120.64 119.55 2wqb n GLU 903 Ca -0.12 0.30 -0.39 0.00 0.66 0.00 0.00 57.16 57.62 2wqb n GLU 903 Cb 0.59 -1.82 -0.05 0.00 0.27 0.00 0.00 31.44 30.42 2wqb n GLU 903 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2wqb s TYR 904 N 0.05 3.57 -0.48 4.31 5.04 -1.25 -4.61 117.35 123.97 2wqb s TYR 904 Ca 0.80 1.07 -0.14 0.00 -2.44 0.00 0.00 57.07 56.36 2wqb s TYR 904 Cb -0.98 -2.64 0.09 0.00 0.35 0.00 0.00 41.96 38.78 2wqb s TYR 904 CO 0.51 0.19 0.40 0.00 -1.34 0.00 0.00 175.55 175.31 2wqb s ALA 905 N 0.48 3.54 0.59 3.97 0.00 -1.26 -4.55 121.76 124.53 2wqb s ALA 905 Ca 0.31 -2.24 0.29 0.00 0.00 0.00 0.00 51.96 50.32 2wqb s ALA 905 Cb -0.17 -3.05 1.42 0.00 0.00 0.00 0.00 23.12 21.32 2wqb s ALA 905 CO 0.14 -1.79 1.82 -1.35 0.00 0.00 0.00 175.76 174.58 2wqb h PRO 906 N 8.72 0.00 0.00 0.00 0.11 -1.85 -3.31 132.00 135.68 2wqb h PRO 906 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 2wqb h PRO 906 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2wqb h PRO 906 CO 0.90 0.00 -0.41 0.72 -0.21 0.00 0.00 178.00 178.99 2wqb n HIS 907 N -3.67 0.00 -2.08 0.65 8.25 -1.16 -5.10 115.22 112.10 2wqb n HIS 907 Ca 0.11 -1.02 0.02 0.00 -0.26 0.00 0.00 57.72 56.57 2wqb n HIS 907 Cb 0.81 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.73 2wqb n HIS 907 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wqb n GLY 908 N -0.86 -2.04 3.76 -1.41 0.00 -1.25 -4.60 105.19 98.80 2wqb n GLY 908 Ca 0.14 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 2wqb n GLY 908 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wqb s ASN 909 N -3.50 5.04 0.36 1.61 2.20 -1.26 -1.85 114.94 117.53 2wqb s ASN 909 Ca 0.00 2.06 0.03 0.00 -0.94 0.00 0.00 52.86 54.01 2wqb s ASN 909 Cb 0.00 -2.56 0.66 0.00 -2.00 0.00 0.00 41.25 37.35 2wqb s ASN 909 CO 0.00 -1.68 2.00 0.25 -2.94 0.00 0.00 177.10 174.72 2wqb h LEU 910 N 0.07 0.66 -0.30 3.54 5.85 0.98 -2.68 115.31 123.42 2wqb h LEU 910 Ca -0.47 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2wqb h LEU 910 Cb 1.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2wqb h LEU 910 CO 0.54 0.51 0.16 0.25 -0.34 0.00 0.00 178.44 179.55 2wqb h LEU 911 N 0.76 0.38 -0.10 2.25 5.85 -1.81 0.15 115.31 122.80 2wqb h LEU 911 Ca 0.20 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2wqb h LEU 911 Cb -0.02 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2wqb h LEU 911 CO -0.04 0.37 0.02 0.44 -0.34 0.00 0.00 178.44 178.90 2wqb h ASP 912 N 0.36 0.15 -0.46 1.25 3.32 -1.88 -1.70 116.42 117.47 2wqb h ASP 912 Ca 0.11 -0.23 0.09 0.00 0.02 0.00 0.00 57.03 57.02 2wqb h ASP 912 Cb 0.08 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 2wqb h ASP 912 CO -0.02 0.34 -0.17 0.15 -1.72 0.00 0.00 179.24 177.83 2wqb h PHE 913 N -0.04 -0.40 -0.76 4.55 3.57 -1.16 0.39 116.94 123.08 2wqb h PHE 913 Ca 0.03 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.65 2wqb h PHE 913 Cb 0.25 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 2wqb h PHE 913 CO 0.01 -0.25 0.44 -0.07 -2.23 0.00 0.00 178.31 176.21 2wqb h LEU 914 N -0.07 0.66 -0.39 0.59 3.38 -0.82 -2.23 115.31 116.43 2wqb h LEU 914 Ca 0.22 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 2wqb h LEU 914 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wqb h LEU 914 CO -0.50 0.41 -0.36 0.03 0.09 0.00 0.00 178.44 178.10 2wqb h ARG 915 N 0.79 0.94 0.00 1.13 3.08 0.18 -1.50 114.38 119.01 2wqb h ARG 915 Ca 0.35 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2wqb h ARG 915 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wqb h ARG 915 CO -0.20 1.14 0.00 0.87 -1.07 0.00 0.00 179.97 180.71 2wqb h LYS 916 N 0.76 0.00 0.00 0.04 1.57 -0.16 -1.47 116.57 117.31 2wqb h LYS 916 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wqb h LYS 916 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2wqb h LYS 916 CO 0.09 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 2wqb n SER 917 N -2.88 0.19 -4.56 0.86 3.41 -0.57 -4.66 113.62 105.42 2wqb n SER 917 Ca -0.00 0.52 -0.27 0.00 -0.26 0.00 0.00 58.87 58.86 2wqb n SER 917 Cb 0.20 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 2wqb n SER 917 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wqb s ARG 918 N -3.03 2.53 0.18 4.33 0.52 -0.56 -1.58 118.95 121.35 2wqb s ARG 918 Ca 0.12 -0.26 0.10 0.00 -0.52 0.00 0.00 55.73 55.18 2wqb s ARG 918 Cb 0.16 -5.05 -0.10 0.00 0.52 0.00 0.00 34.95 30.49 2wqb s ARG 918 CO 0.51 -3.39 1.35 -0.24 0.02 0.00 0.00 175.30 173.54 2wqb h VAL 919 N 7.27 1.37 -0.05 3.52 3.04 -1.41 -2.56 116.25 127.42 2wqb h VAL 919 Ca 0.09 -2.94 0.01 0.00 -1.01 0.00 0.00 66.70 62.86 2wqb h VAL 919 Cb 1.01 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 32.96 2wqb h VAL 919 CO 1.20 0.78 0.30 -0.07 -1.01 0.00 0.00 177.57 178.77 2wqb h LEU 920 N 0.00 0.00 0.00 3.16 4.07 -1.81 0.12 115.31 120.85 2wqb h LEU 920 Ca -0.01 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 2wqb h LEU 920 Cb 1.61 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.33 2wqb h LEU 920 CO 0.10 0.00 -1.40 -1.84 -1.08 0.00 0.00 178.44 174.22 2wqb n GLU 921 N -3.03 2.78 -0.01 1.13 -0.00 -1.05 -4.38 120.64 116.09 2wqb n GLU 921 Ca -0.01 -0.01 0.09 0.00 -0.00 0.00 0.00 57.16 57.23 2wqb n GLU 921 Cb 0.36 -1.15 -0.14 0.00 -0.00 0.00 0.00 31.44 30.51 2wqb n GLU 921 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2wqb n THR 922 N -2.18 0.00 -2.72 3.84 -2.24 -0.99 -4.79 114.28 105.20 2wqb n THR 922 Ca -0.09 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 2wqb n THR 922 Cb 0.65 0.19 0.07 0.00 -2.10 0.00 0.00 70.33 69.14 2wqb n THR 922 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wqb n ASP 923 N -2.05 -2.24 0.22 3.42 2.03 0.35 -5.05 116.55 113.23 2wqb n ASP 923 Ca -0.03 -2.84 0.06 0.00 0.52 0.00 0.00 54.79 52.51 2wqb n ASP 923 Cb 0.45 1.49 0.49 0.00 -0.72 0.00 0.00 41.12 42.83 2wqb n ASP 923 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wqb h PRO 924 N 3.46 0.00 -0.40 -0.67 0.11 -1.63 -0.49 132.00 132.38 2wqb h PRO 924 Ca -0.18 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.00 2wqb h PRO 924 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2wqb h PRO 924 CO 0.13 0.27 0.06 0.00 -0.21 0.00 0.00 178.00 178.24 2wqb h ALA 925 N 1.73 0.42 -0.05 -0.75 0.00 -1.94 0.27 119.26 118.94 2wqb h ALA 925 Ca -0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wqb h ALA 925 Cb 0.55 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wqb h ALA 925 CO 0.03 -0.35 0.02 0.35 0.00 0.00 0.00 179.25 179.31 2wqb h PHE 926 N 0.17 0.07 -0.65 0.00 3.57 -1.57 -2.30 116.94 116.25 2wqb h PHE 926 Ca 0.20 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.81 2wqb h PHE 926 Cb 0.25 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 2wqb h PHE 926 CO -0.22 0.17 0.18 0.00 -2.23 0.00 0.00 178.31 176.21 2wqb h ALA 927 N 0.90 0.82 0.03 2.41 0.00 -0.34 -0.59 119.26 122.49 2wqb h ALA 927 Ca 0.02 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wqb h ALA 927 Cb 0.12 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wqb h ALA 927 CO -0.00 -0.27 -0.02 0.82 0.00 0.00 0.00 179.25 179.78 2wqb h ILE 928 N 0.32 1.35 -0.77 0.00 1.08 -0.98 -0.66 117.51 117.86 2wqb h ILE 928 Ca 0.34 -1.31 0.16 0.00 -0.39 0.00 0.00 64.86 63.65 2wqb h ILE 928 Cb 0.51 2.22 -0.10 0.00 -3.07 0.00 0.00 36.82 36.37 2wqb h ILE 928 CO -0.40 0.33 0.28 0.00 -0.69 0.00 0.00 178.15 177.68 2wqb h ALA 929 N 0.29 1.08 -0.42 1.87 0.00 -1.14 -2.30 119.26 118.64 2wqb h ALA 929 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wqb h ALA 929 Cb 0.57 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wqb h ALA 929 CO 0.01 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.09 2wqb n ASN 930 N -5.04 2.91 -2.27 0.00 3.02 -0.25 -4.96 115.26 108.66 2wqb n ASN 930 Ca 0.15 -1.94 -0.18 0.00 -0.03 0.00 0.00 54.58 52.59 2wqb n ASN 930 Cb 0.45 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 2wqb n ASN 930 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wqb n SER 931 N 1.11 -5.09 -4.22 6.41 7.64 -0.60 -4.95 113.62 113.91 2wqb n SER 931 Ca 0.19 0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.97 2wqb n SER 931 Cb 0.49 -4.31 -0.13 0.00 -1.01 0.00 0.00 64.21 59.26 2wqb n SER 931 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2wqb s THR 932 N -2.82 1.44 -0.09 0.44 -1.32 -0.36 -0.15 115.64 112.78 2wqb s THR 932 Ca 0.00 -1.33 0.21 0.00 -1.21 0.00 0.00 61.69 59.37 2wqb s THR 932 Cb 0.00 -1.31 -0.26 0.00 -1.51 0.00 0.00 72.50 69.42 2wqb s THR 932 CO 0.00 -0.05 0.55 0.00 -2.21 0.00 0.00 174.62 172.91 2wqb n ALA 933 N 1.41 2.54 -2.68 11.08 0.00 0.17 -4.54 120.51 128.48 2wqb n ALA 933 Ca -0.19 -0.57 -0.17 0.00 0.00 0.00 0.00 53.44 52.51 2wqb n ALA 933 Cb 0.54 -0.75 -0.12 0.00 0.00 0.00 0.00 19.45 19.12 2wqb n ALA 933 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wqb s SER 934 N -4.87 1.52 0.25 0.00 0.15 -1.25 -1.17 113.70 108.33 2wqb s SER 934 Ca -0.07 -0.65 0.23 0.00 0.70 0.00 0.00 55.95 56.16 2wqb s SER 934 Cb 0.12 -0.03 0.96 0.00 -1.71 0.00 0.00 66.02 65.37 2wqb s SER 934 CO 0.87 -0.13 1.69 0.35 1.20 0.00 0.00 173.24 177.22 2wqb n THR 935 N 1.14 0.85 -3.68 6.45 -2.24 -0.61 -4.80 114.28 111.38 2wqb n THR 935 Ca -0.20 0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 2wqb n THR 935 Cb 0.55 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.57 2wqb n THR 935 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wqb s LEU 936 N -4.39 4.24 0.21 3.22 1.43 -1.26 -5.10 118.68 117.03 2wqb s LEU 936 Ca 0.04 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2wqb s LEU 936 Cb 0.09 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2wqb s LEU 936 CO 0.38 -0.01 0.14 -0.94 0.23 0.00 0.00 176.35 176.15 2wqb s SER 937 N -2.88 5.37 0.22 2.29 1.04 -1.26 -4.92 113.70 113.56 2wqb s SER 937 Ca 0.39 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.47 2wqb s SER 937 Cb -0.11 -1.34 0.30 0.00 0.10 0.00 0.00 66.02 64.97 2wqb s SER 937 CO 0.28 0.02 1.66 -1.28 0.98 0.00 0.00 173.24 174.89 2wqb h SER 938 N 1.97 -0.26 -0.98 7.02 0.87 -1.96 0.22 113.55 120.43 2wqb h SER 938 Ca -0.48 0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.28 2wqb h SER 938 Cb 1.22 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.39 2wqb h SER 938 CO 0.61 -0.11 0.64 1.56 -0.53 0.00 0.00 176.83 179.00 2wqb h GLN 939 N 0.13 1.17 -0.10 2.24 1.08 -1.95 -1.08 115.11 116.60 2wqb h GLN 939 Ca 0.33 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.31 2wqb h GLN 939 Cb 0.53 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2wqb h GLN 939 CO -0.53 0.77 -0.59 1.96 -0.95 0.00 0.00 178.83 179.50 2wqb h GLN 940 N 1.21 0.32 -0.33 1.46 4.20 -1.40 -1.50 115.11 119.07 2wqb h GLN 940 Ca 0.40 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 2wqb h GLN 940 Cb 0.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2wqb h GLN 940 CO -0.14 0.82 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.57 2wqb h LEU 941 N 0.24 0.74 -0.57 1.46 3.38 -0.12 -2.80 115.31 117.64 2wqb h LEU 941 Ca -0.00 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2wqb h LEU 941 Cb 1.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2wqb h LEU 941 CO 0.10 1.00 0.12 -0.07 0.09 0.00 0.00 178.44 179.68 2wqb h LEU 942 N 0.48 0.87 -2.01 1.67 3.38 -0.97 -2.67 115.31 116.06 2wqb h LEU 942 Ca 0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2wqb h LEU 942 Cb 0.74 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wqb h LEU 942 CO 0.06 0.89 0.04 0.45 0.09 0.00 0.00 178.44 179.97 2wqb h HIS 943 N 0.82 0.00 -0.49 1.13 3.86 -1.10 0.87 115.15 120.24 2wqb h HIS 943 Ca 0.18 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 2wqb h HIS 943 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2wqb h HIS 943 CO 0.03 0.00 -0.13 0.74 0.86 0.00 0.00 177.93 179.42 2wqb h PHE 944 N 0.00 1.08 0.24 2.45 0.05 -1.23 0.55 116.94 120.08 2wqb h PHE 944 Ca 0.03 -0.24 -0.01 0.00 3.82 0.00 0.00 57.97 61.57 2wqb h PHE 944 Cb 0.11 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 37.80 2wqb h PHE 944 CO 0.00 1.03 -0.11 0.00 -0.18 0.00 0.00 178.31 179.05 2wqb h ALA 945 N 0.89 -0.32 -0.61 2.45 0.00 0.72 -1.63 119.26 120.76 2wqb h ALA 945 Ca 0.12 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2wqb h ALA 945 Cb 0.70 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2wqb h ALA 945 CO 0.05 -0.62 0.25 0.00 0.00 0.00 0.00 179.25 178.93 2wqb h ALA 946 N 0.30 0.79 -0.21 0.00 0.00 0.29 0.18 119.26 120.61 2wqb h ALA 946 Ca -0.03 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wqb h ALA 946 Cb 0.33 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2wqb h ALA 946 CO 0.05 -0.16 -0.07 -0.44 0.00 0.00 0.00 179.25 178.64 2wqb h ASP 947 N 0.45 -0.24 -0.20 0.00 3.45 0.41 0.46 116.42 120.74 2wqb h ASP 947 Ca 0.30 0.07 -0.18 0.00 0.43 0.00 0.00 57.03 57.65 2wqb h ASP 947 Cb 0.34 0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2wqb h ASP 947 CO -0.28 -0.09 -0.57 0.58 -1.57 0.00 0.00 179.24 177.31 2wqb h VAL 948 N -0.03 1.28 -0.15 -1.35 2.07 -0.96 -2.38 116.25 114.74 2wqb h VAL 948 Ca 0.10 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 65.90 2wqb h VAL 948 Cb 0.18 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 2wqb h VAL 948 CO -0.23 0.57 -0.18 0.00 0.02 0.00 0.00 177.57 177.75 2wqb h ALA 949 N 0.74 -0.10 -0.15 1.67 0.00 -0.05 -0.19 119.26 121.18 2wqb h ALA 949 Ca 0.01 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2wqb h ALA 949 Cb 1.16 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 2wqb h ALA 949 CO 0.12 -0.63 -0.09 -0.09 0.00 0.00 0.00 179.25 178.57 2wqb h ARG 950 N -0.22 -0.08 -0.32 0.00 2.43 -0.12 0.57 114.38 116.65 2wqb h ARG 950 Ca 0.10 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2wqb h ARG 950 Cb 0.37 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2wqb h ARG 950 CO -0.28 -0.05 0.12 0.78 -1.51 0.00 0.00 179.97 179.03 2wqb h GLY 951 N -0.08 0.41 0.97 2.80 0.00 -1.16 -1.88 103.07 104.13 2wqb h GLY 951 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2wqb h GLY 951 CO -0.20 0.05 0.24 -0.33 0.00 0.00 0.00 176.54 176.30 2wqb h MET 952 N 0.27 0.63 0.06 4.80 2.86 -0.70 -0.45 114.93 122.41 2wqb h MET 952 Ca 0.14 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2wqb h MET 952 Cb 0.10 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 2wqb h MET 952 CO -0.13 0.51 -0.45 0.22 1.06 0.00 0.00 176.91 178.12 2wqb h ASP 953 N 0.59 -1.36 -1.00 1.22 -0.00 -0.60 0.92 116.42 116.19 2wqb h ASP 953 Ca 0.16 0.15 0.27 0.00 -0.00 0.00 0.00 57.03 57.60 2wqb h ASP 953 Cb 0.06 0.51 -0.13 0.00 -0.00 0.00 0.00 39.33 39.77 2wqb h ASP 953 CO -0.02 -0.46 0.58 0.22 -0.00 0.00 0.00 179.24 179.56 2wqb h TYR 954 N -0.60 0.99 0.16 0.28 3.20 -1.16 -1.55 116.97 118.28 2wqb h TYR 954 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2wqb h TYR 954 Cb 0.62 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2wqb h TYR 954 CO -0.46 -0.00 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.92 2wqb h LEU 955 N 0.51 -0.19 -1.53 2.82 3.38 0.29 -3.21 115.31 117.39 2wqb h LEU 955 Ca 0.67 -0.35 0.15 0.00 0.09 0.00 0.00 57.88 58.43 2wqb h LEU 955 Cb 1.34 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 2wqb h LEU 955 CO -0.51 0.35 0.51 0.77 0.09 0.00 0.00 178.44 179.65 2wqb h SER 956 N -0.83 0.44 1.04 -0.43 4.64 0.10 0.36 113.55 118.87 2wqb h SER 956 Ca -0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wqb h SER 956 Cb 0.53 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2wqb h SER 956 CO 0.04 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 2wqb n GLN 957 N -4.49 0.18 -0.97 4.77 6.02 -0.60 -1.06 117.38 121.24 2wqb n GLN 957 Ca 0.15 0.28 -0.01 0.00 -0.01 0.00 0.00 57.00 57.40 2wqb n GLN 957 Cb 0.51 -1.77 0.34 0.00 1.02 0.00 0.00 30.24 30.34 2wqb n GLN 957 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wqb n LYS 958 N -2.10 4.14 -1.40 -1.09 5.02 0.12 -4.95 118.16 117.90 2wqb n LYS 958 Ca 0.04 -3.04 -0.10 0.00 -2.02 0.00 0.00 58.31 53.19 2wqb n LYS 958 Cb 0.32 -2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.06 2wqb n LYS 958 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wqb n GLN 959 N 0.16 -0.73 -3.40 1.97 1.13 -0.22 -4.92 117.38 111.38 2wqb n GLN 959 Ca 0.35 0.82 -0.33 0.00 -1.94 0.00 0.00 57.00 55.90 2wqb n GLN 959 Cb 1.30 -4.77 -0.06 0.00 0.11 0.00 0.00 30.24 26.83 2wqb n GLN 959 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2wqb s PHE 960 N -2.40 3.51 -0.20 1.08 0.40 -1.03 -0.76 117.98 118.58 2wqb s PHE 960 Ca 0.00 0.95 0.01 0.00 -0.60 0.00 0.00 56.93 57.29 2wqb s PHE 960 Cb 0.00 -2.30 0.04 0.00 0.51 0.00 0.00 43.02 41.27 2wqb s PHE 960 CO 0.00 0.35 -0.11 0.42 0.70 0.00 0.00 175.22 176.58 2wqb s ILE 961 N -1.65 1.68 -0.01 0.64 1.01 0.67 -4.14 121.20 119.40 2wqb s ILE 961 Ca 0.43 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 2wqb s ILE 961 Cb -0.13 -1.76 -0.12 0.00 0.01 0.00 0.00 42.46 40.46 2wqb s ILE 961 CO 0.20 0.17 0.91 -0.74 0.00 0.00 0.00 174.94 175.47 2wqb h HIS 962 N 7.96 -0.68 0.00 3.97 2.76 -1.90 -2.94 115.15 124.33 2wqb h HIS 962 Ca -0.28 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2wqb h HIS 962 Cb 1.09 0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.28 2wqb h HIS 962 CO 0.51 -0.40 0.00 0.54 -1.30 0.00 0.00 177.93 177.29 2wqb n ARG 963 N -5.26 -0.12 -1.29 5.26 1.74 -1.26 -4.79 116.66 110.94 2wqb n ARG 963 Ca -0.09 0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.04 2wqb n ARG 963 Cb 0.30 -3.05 0.01 0.00 -1.02 0.00 0.00 32.46 28.70 2wqb n ARG 963 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wqb n ASN 964 N -0.06 0.64 -4.69 0.55 3.02 -1.26 -5.07 115.26 108.40 2wqb n ASN 964 Ca 0.00 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 2wqb n ASN 964 Cb 0.03 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 2wqb n ASN 964 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wqb s LEU 965 N 0.00 4.38 -0.11 3.41 1.43 -1.26 -4.78 118.68 121.75 2wqb s LEU 965 Ca 0.25 2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 2wqb s LEU 965 Cb 0.29 -3.56 0.12 0.00 0.03 0.00 0.00 46.19 43.07 2wqb s LEU 965 CO -0.13 -0.93 0.97 0.00 0.23 0.00 0.00 176.35 176.49 2wqb s ALA 966 N 2.87 -1.90 0.15 4.21 0.00 -1.26 -4.74 121.76 121.08 2wqb s ALA 966 Ca 0.77 1.38 -0.17 0.00 0.00 0.00 0.00 51.96 53.94 2wqb s ALA 966 Cb -0.41 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.50 2wqb s ALA 966 CO 0.34 -0.47 1.74 0.00 0.00 0.00 0.00 175.76 177.37 2wqb h ALA 967 N 2.32 0.36 0.00 0.00 0.00 -1.91 0.26 119.26 120.30 2wqb h ALA 967 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wqb h ALA 967 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wqb h ALA 967 CO 0.30 -0.31 0.06 2.89 0.00 0.00 0.00 179.25 182.19 2wqb n ARG 968 N -5.06 0.11 -0.27 0.00 1.85 -1.26 -1.65 116.66 110.38 2wqb n ARG 968 Ca 0.01 0.60 0.09 0.00 -1.00 0.00 0.00 57.85 57.54 2wqb n ARG 968 Cb 0.13 -1.91 0.23 0.00 -1.05 0.00 0.00 32.46 29.87 2wqb n ARG 968 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wqb n ASN 969 N -2.09 3.41 -4.38 2.89 3.02 0.92 -4.66 115.26 114.37 2wqb n ASN 969 Ca -0.01 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.22 2wqb n ASN 969 Cb 0.08 -0.35 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 2wqb n ASN 969 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wqb s ILE 970 N -1.01 2.74 -0.02 2.41 -1.09 -0.66 -4.40 121.20 119.17 2wqb s ILE 970 Ca 0.35 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2wqb s ILE 970 Cb 0.18 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 2wqb s ILE 970 CO 0.24 0.56 0.10 -0.76 -1.23 0.00 0.00 174.94 173.86 2wqb s LEU 971 N -0.20 4.02 -0.38 2.97 1.43 0.30 0.12 118.68 126.96 2wqb s LEU 971 Ca -0.01 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 2wqb s LEU 971 Cb -0.13 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2wqb s LEU 971 CO 0.03 0.28 0.35 -0.69 0.23 0.00 0.00 176.35 176.56 2wqb s VAL 972 N -1.20 5.18 0.00 -1.59 1.01 -0.77 0.10 120.40 123.14 2wqb s VAL 972 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2wqb s VAL 972 Cb -0.12 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2wqb s VAL 972 CO 0.14 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2wqb n GLY 973 N 5.07 2.15 3.71 4.51 0.00 0.14 -3.01 105.19 117.76 2wqb n GLY 973 Ca -0.10 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 2wqb n GLY 973 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wqb n GLU 974 N -0.48 0.95 -2.19 1.61 4.07 -1.26 -0.93 120.64 122.42 2wqb n GLU 974 Ca 0.00 0.38 -0.11 0.00 -0.06 0.00 0.00 57.16 57.37 2wqb n GLU 974 Cb 0.00 -2.49 -0.02 0.00 -0.06 0.00 0.00 31.44 28.87 2wqb n GLU 974 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2wqb n ASN 975 N -2.03 -3.47 -3.87 4.31 4.05 -1.26 -2.58 115.26 110.40 2wqb n ASN 975 Ca 0.15 0.24 -0.27 0.00 0.45 0.00 0.00 54.58 55.15 2wqb n ASN 975 Cb 0.48 -3.04 0.02 0.00 1.23 0.00 0.00 39.78 38.48 2wqb n ASN 975 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2wqb n TYR 976 N -2.94 -2.07 -4.06 1.20 4.02 -0.11 -4.97 117.16 108.25 2wqb n TYR 976 Ca -0.13 0.86 -0.35 0.00 -0.01 0.00 0.00 57.90 58.28 2wqb n TYR 976 Cb 0.55 -4.03 -0.11 0.00 -0.02 0.00 0.00 39.34 35.73 2wqb n TYR 976 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2wqb s VAL 977 N -3.50 4.53 0.01 -0.72 1.01 -1.07 -4.80 120.40 115.87 2wqb s VAL 977 Ca 0.37 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2wqb s VAL 977 Cb -0.19 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2wqb s VAL 977 CO 0.84 0.45 0.92 0.00 0.00 0.00 0.00 175.10 177.30 2wqb s ALA 978 N 0.55 3.22 -0.03 5.51 0.00 -1.26 0.25 121.76 130.00 2wqb s ALA 978 Ca 0.02 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2wqb s ALA 978 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2wqb s ALA 978 CO 0.01 -0.15 -0.22 0.15 0.00 0.00 0.00 175.76 175.55 2wqb s LYS 979 N 0.72 1.98 0.35 0.00 1.02 0.29 -4.55 119.74 119.54 2wqb s LYS 979 Ca 0.48 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 2wqb s LYS 979 Cb -0.21 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 2wqb s LYS 979 CO 0.26 0.42 0.69 0.42 -0.92 0.00 0.00 175.35 176.23 2wqb s ILE 980 N -0.36 4.84 -0.28 2.17 1.01 -0.20 -0.53 121.20 127.86 2wqb s ILE 980 Ca 0.04 0.51 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 2wqb s ILE 980 Cb -0.10 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2wqb s ILE 980 CO 0.01 -0.38 0.41 0.00 0.00 0.00 0.00 174.94 174.98 2wqb s ALA 981 N -2.19 3.56 -1.54 9.38 0.00 -1.26 -0.33 121.76 129.38 2wqb s ALA 981 Ca 0.49 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.69 2wqb s ALA 981 Cb -0.10 -2.78 0.19 0.00 0.00 0.00 0.00 23.12 20.43 2wqb s ALA 981 CO 0.28 -0.74 1.03 -0.40 0.00 0.00 0.00 175.76 175.92 2wqb n ASP 982 N 5.41 1.53 -4.84 0.00 3.85 -1.26 -4.96 116.55 116.28 2wqb n ASP 982 Ca -0.07 -2.10 -0.35 0.00 -0.71 0.00 0.00 54.79 51.57 2wqb n ASP 982 Cb 0.50 -0.29 -0.06 0.00 -1.35 0.00 0.00 41.12 39.92 2wqb n ASP 982 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 2wqb s PHE 983 N -1.64 3.55 -0.99 2.11 0.40 -1.26 -4.28 117.98 115.88 2wqb s PHE 983 Ca 0.14 1.23 -0.13 0.00 -0.60 0.00 0.00 56.93 57.57 2wqb s PHE 983 Cb 0.09 -2.51 -0.00 0.00 0.51 0.00 0.00 43.02 41.10 2wqb s PHE 983 CO 0.07 0.29 0.73 0.41 0.70 0.00 0.00 175.22 177.42 2wqb n GLY 984 N 0.39 -1.11 3.51 4.36 0.00 -1.26 -4.97 105.19 106.11 2wqb n GLY 984 Ca -0.01 0.49 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 2wqb n GLY 984 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wqb s LEU 985 N -5.70 3.36 0.20 0.99 1.43 -1.26 -5.01 118.68 112.69 2wqb s LEU 985 Ca 0.28 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2wqb s LEU 985 Cb -0.10 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 2wqb s LEU 985 CO 0.85 0.14 1.07 -0.44 0.23 0.00 0.00 176.35 178.20 2wqb s SER 986 N 0.52 7.34 -0.11 2.29 0.01 -1.11 -4.89 113.70 117.76 2wqb s SER 986 Ca -0.01 2.08 0.03 0.00 1.31 0.00 0.00 55.95 59.36 2wqb s SER 986 Cb -0.14 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 2wqb s SER 986 CO 0.02 -0.14 -0.22 -0.60 0.41 0.00 0.00 173.24 172.71 2wqb s ARG 987 N -0.67 3.09 0.00 12.44 3.52 -1.26 -0.24 118.95 135.83 2wqb s ARG 987 Ca 0.47 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2wqb s ARG 987 Cb -0.29 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 2wqb s ARG 987 CO 0.35 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 2wqb n GLY 988 N 3.54 -1.52 0.20 8.12 0.00 0.06 -4.97 105.19 110.62 2wqb n GLY 988 Ca -0.19 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 2wqb n GLY 988 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wqb h GLN 989 N 1.72 0.66 -2.43 1.61 5.75 -1.97 -3.44 115.11 117.02 2wqb h GLN 989 Ca 0.00 -0.46 -0.06 0.00 -0.15 0.00 0.00 58.65 57.98 2wqb h GLN 989 Cb 0.00 0.07 -0.17 0.00 1.07 0.00 0.00 27.48 28.45 2wqb h GLN 989 CO 0.00 1.08 0.12 -2.00 -2.65 0.00 0.00 178.83 175.38 2wqb s GLU 990 N -3.95 1.06 -0.03 1.69 2.12 -1.26 -4.55 118.70 113.78 2wqb s GLU 990 Ca -0.12 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2wqb s GLU 990 Cb 0.07 0.49 0.02 0.00 0.26 0.00 0.00 34.13 34.98 2wqb s GLU 990 CO 0.85 -0.36 -0.00 0.54 -0.54 0.00 0.00 175.26 175.74 2wqb s VAL 991 N -1.90 0.17 -0.19 3.70 0.11 -0.70 -5.00 120.40 116.59 2wqb s VAL 991 Ca -0.08 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.92 2wqb s VAL 991 Cb -0.01 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 2wqb s VAL 991 CO 0.03 0.14 0.20 -0.47 -3.33 0.00 0.00 175.10 171.67 2wqb s TYR 992 N 0.92 3.41 -0.10 1.54 5.04 -1.26 -0.99 117.35 125.91 2wqb s TYR 992 Ca -0.09 0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 2wqb s TYR 992 Cb -0.13 -2.26 0.01 0.00 0.35 0.00 0.00 41.96 39.94 2wqb s TYR 992 CO -0.02 0.22 -0.15 0.08 -1.34 0.00 0.00 175.55 174.34 2wqb s VAL 993 N 0.57 1.43 0.31 3.14 1.01 -0.02 -5.01 120.40 121.84 2wqb s VAL 993 Ca 0.11 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2wqb s VAL 993 Cb -0.12 -1.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 2wqb s VAL 993 CO 0.02 0.43 1.16 -0.75 0.00 0.00 0.00 175.10 175.95 2wqb s LYS 994 N 0.95 4.50 0.85 2.72 2.20 -1.26 -4.73 119.74 124.96 2wqb s LYS 994 Ca -0.08 1.90 -0.12 0.00 -0.36 0.00 0.00 55.97 57.31 2wqb s LYS 994 Cb -0.15 -3.09 0.10 0.00 -1.51 0.00 0.00 37.83 33.18 2wqb s LYS 994 CO -0.01 0.05 1.18 -1.59 -0.36 0.00 0.00 175.35 174.62 2wqb s LYS 995 N -1.65 1.65 0.00 4.03 0.00 -1.26 -5.17 119.74 117.34 2wqb s LYS 995 Ca 0.47 0.13 0.00 0.00 0.00 0.00 0.00 55.97 56.57 2wqb s LYS 995 Cb -0.33 -1.91 0.00 0.00 0.00 0.00 0.00 37.83 35.58 2wqb s LYS 995 CO 0.43 -1.82 0.00 0.25 0.00 0.00 0.00 175.35 174.22 2wqb n THR 996 N -3.47 0.00 -3.15 3.79 -2.24 -1.26 -5.21 114.28 102.74 2wqb n THR 996 Ca 0.08 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 2wqb n THR 996 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2wqb n THR 996 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wqb n GLY 998 N 0.00 -1.64 3.53 3.38 0.00 -1.26 -5.01 105.19 104.19 2wqb n GLY 998 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 2wqb n GLY 998 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wqb s ARG 999 N -0.70 2.39 0.07 1.61 3.52 -1.26 -5.13 118.95 119.46 2wqb s ARG 999 Ca 0.00 -0.80 -0.18 0.00 -0.13 0.00 0.00 55.73 54.62 2wqb s ARG 999 Cb 0.00 -2.38 -0.07 0.00 -1.56 0.00 0.00 34.95 30.94 2wqb s ARG 999 CO 0.00 0.59 0.54 -0.51 -0.81 0.00 0.00 175.30 175.11 2wqb s LEU 1000N -1.30 4.50 -0.49 -0.88 1.02 -1.26 -4.97 118.68 115.30 2wqb s LEU 1000Ca 0.15 1.20 -0.05 0.00 0.02 0.00 0.00 54.13 55.46 2wqb s LEU 1000Cb -0.11 -2.89 -0.10 0.00 0.02 0.00 0.00 46.19 43.11 2wqb s LEU 1000CO 0.06 0.26 2.18 -0.81 0.02 0.00 0.00 176.35 178.06 2wqb n PRO 1001N 1.63 1.64 -0.26 1.29 -0.04 -1.26 -4.76 135.00 133.24 2wqb n PRO 1001Ca -0.10 -1.04 0.03 0.00 -0.04 0.00 0.00 63.50 62.35 2wqb n PRO 1001Cb 0.51 -2.14 0.11 0.00 -0.04 0.00 0.00 33.50 31.94 2wqb n PRO 1001CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wqb h VAL 1002N 2.97 0.28 0.00 0.52 2.07 -1.95 0.58 116.25 120.72 2wqb h VAL 1002Ca 0.31 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2wqb h VAL 1002Cb 0.48 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2wqb h VAL 1002CO 0.93 0.01 0.00 0.03 0.02 0.00 0.00 177.57 178.56 2wqb h ARG 1003N 0.03 0.00 0.00 1.57 3.08 -1.94 -0.89 114.38 116.23 2wqb h ARG 1003Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2wqb h ARG 1003Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2wqb h ARG 1003CO -0.73 0.00 -1.70 0.91 -1.07 0.00 0.00 179.97 177.38 2wqb n TRP 1004N -2.69 0.24 -2.68 3.04 8.01 0.20 -5.00 117.44 118.56 2wqb n TRP 1004Ca -0.01 0.07 -0.36 0.00 -1.31 0.00 0.00 57.50 55.89 2wqb n TRP 1004Cb 0.10 -0.59 -0.05 0.00 -2.01 0.00 0.00 31.31 28.75 2wqb n TRP 1004CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2wqb s MET 1005N -3.46 4.29 0.86 -0.99 -1.94 -0.34 -3.78 119.30 113.94 2wqb s MET 1005Ca -0.05 1.35 -0.12 0.00 -1.71 0.00 0.00 55.69 55.16 2wqb s MET 1005Cb 0.13 -2.51 0.14 0.00 2.01 0.00 0.00 34.83 34.60 2wqb s MET 1005CO 0.88 -0.00 1.21 0.00 -0.01 0.00 0.00 175.02 177.09 2wqb s ALA 1006N -1.79 2.62 -0.01 3.03 0.00 -1.26 -4.87 121.76 119.47 2wqb s ALA 1006Ca 0.57 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.26 2wqb s ALA 1006Cb -0.18 -2.74 -0.22 0.00 0.00 0.00 0.00 23.12 19.99 2wqb s ALA 1006CO 0.22 -1.97 1.12 0.82 0.00 0.00 0.00 175.76 175.95 2wqb h ILE 1007N -1.23 1.46 -0.91 0.00 2.04 -1.95 0.43 117.51 117.35 2wqb h ILE 1007Ca -0.44 -1.88 0.10 0.00 1.00 0.00 0.00 64.86 63.64 2wqb h ILE 1007Cb 1.28 2.53 -0.08 0.00 -0.74 0.00 0.00 36.82 39.81 2wqb h ILE 1007CO 0.50 0.54 0.54 1.05 0.00 0.00 0.00 178.15 180.78 2wqb h GLU 1008N -0.24 0.87 -0.52 2.37 9.09 -1.91 1.39 114.58 125.62 2wqb h GLU 1008Ca -0.04 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.22 2wqb h GLU 1008Cb 1.07 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.96 2wqb h GLU 1008CO 0.08 0.57 -0.08 0.77 0.05 0.00 0.00 179.01 180.40 2wqb h SER 1009N 0.89 0.94 0.05 3.06 0.02 -1.45 0.13 113.55 117.19 2wqb h SER 1009Ca 0.44 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wqb h SER 1009Cb 0.40 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wqb h SER 1009CO -0.25 1.04 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.39 2wqb h LEU 1010N 0.86 -0.06 -0.59 5.07 3.38 0.24 -0.87 115.31 123.34 2wqb h LEU 1010Ca 0.14 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2wqb h LEU 1010Cb 0.61 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2wqb h LEU 1010CO 0.04 0.08 -0.01 0.78 0.09 0.00 0.00 178.44 179.42 2wqb h ASN 1011N -0.19 1.03 0.00 -0.43 2.35 0.19 -3.40 115.58 115.13 2wqb h ASN 1011Ca -0.01 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2wqb h ASN 1011Cb 0.17 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2wqb h ASN 1011CO 0.01 1.09 0.00 -1.22 -1.65 0.00 0.00 177.43 175.66 2wqb n TYR 1012N -4.20 0.00 -2.73 1.19 4.02 0.43 -5.03 117.16 110.84 2wqb n TYR 1012Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.73 2wqb n TYR 1012Cb 0.35 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.69 2wqb n TYR 1012CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2wqb n SER 1013N -0.14 -5.24 -4.49 7.72 7.64 -0.33 -4.88 113.62 113.89 2wqb n SER 1013Ca 0.00 -0.17 -0.33 0.00 1.01 0.00 0.00 58.87 59.37 2wqb n SER 1013Cb 0.09 -4.15 -0.13 0.00 -1.01 0.00 0.00 64.21 59.02 2wqb n SER 1013CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2wqb s VAL 1014N -3.01 3.22 -0.01 0.44 -7.23 -1.26 -0.84 120.40 111.71 2wqb s VAL 1014Ca 0.18 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2wqb s VAL 1014Cb -0.08 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2wqb s VAL 1014CO 0.22 0.58 -0.20 -0.31 -0.31 0.00 0.00 175.10 175.09 2wqb s TYR 1015N -0.60 1.79 0.34 2.82 1.51 -0.16 -3.55 117.35 119.50 2wqb s TYR 1015Ca 0.09 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2wqb s TYR 1015Cb -0.11 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2wqb s TYR 1015CO 0.01 -0.03 0.22 0.25 -1.11 0.00 0.00 175.55 174.90 2wqb n THR 1016N 2.57 0.00 -0.34 -0.71 -2.24 -1.26 -1.71 114.28 110.59 2wqb n THR 1016Ca -0.15 -2.30 -0.01 0.00 -2.27 0.00 0.00 64.05 59.32 2wqb n THR 1016Cb 0.53 1.04 0.12 0.00 -2.10 0.00 0.00 70.33 69.92 2wqb n THR 1016CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2wqb h THR 1017N 1.89 1.14 -0.25 4.28 2.02 -1.86 -2.18 112.91 117.95 2wqb h THR 1017Ca -0.25 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2wqb h THR 1017Cb 1.15 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2wqb h THR 1017CO 0.38 0.21 0.15 0.78 0.37 0.00 0.00 175.52 177.41 2wqb h ASN 1018N 1.14 0.30 -0.05 4.18 2.35 -1.94 0.15 115.58 121.72 2wqb h ASN 1018Ca 0.37 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 56.02 2wqb h ASN 1018Cb 0.02 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2wqb h ASN 1018CO -0.12 0.23 -0.21 0.77 -1.65 0.00 0.00 177.43 176.45 2wqb h SER 1019N 0.35 0.43 -0.36 5.81 4.64 -1.79 -2.78 113.55 119.85 2wqb h SER 1019Ca 0.09 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2wqb h SER 1019Cb -0.01 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2wqb h SER 1019CO -0.02 0.65 -0.03 0.44 -0.87 0.00 0.00 176.83 177.00 2wqb h ASP 1020N 0.39 0.72 -0.37 4.97 3.32 -0.15 -2.68 116.42 122.62 2wqb h ASP 1020Ca 0.06 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 2wqb h ASP 1020Cb 0.59 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2wqb h ASP 1020CO 0.04 0.81 -0.19 0.58 -1.72 0.00 0.00 179.24 178.76 2wqb h VAL 1021N 0.70 1.27 0.28 -1.35 2.07 -1.02 0.36 116.25 118.55 2wqb h VAL 1021Ca 0.13 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2wqb h VAL 1021Cb 0.47 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2wqb h VAL 1021CO 0.02 0.44 -0.34 -0.25 0.02 0.00 0.00 177.57 177.47 2wqb h TRP 1022N 0.74 -0.91 -0.92 1.57 2.91 -1.36 -0.70 115.95 117.28 2wqb h TRP 1022Ca 0.11 0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.28 2wqb h TRP 1022Cb 0.71 0.36 -0.09 0.00 -0.51 0.00 0.00 29.16 29.63 2wqb h TRP 1022CO 0.04 -0.47 0.53 0.77 -1.03 0.00 0.00 178.44 178.28 2wqb h SER 1023N -0.66 0.70 -0.86 2.65 0.02 -1.25 -1.42 113.55 112.73 2wqb h SER 1023Ca -0.01 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2wqb h SER 1023Cb 0.62 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 2wqb h SER 1023CO -0.10 0.31 0.56 0.22 -1.14 0.00 0.00 176.83 176.68 2wqb h TYR 1024N 0.76 1.05 0.00 3.45 3.20 0.47 0.77 116.97 126.67 2wqb h TYR 1024Ca 0.49 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.38 2wqb h TYR 1024Cb 0.65 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2wqb h TYR 1024CO -0.05 0.62 -0.03 0.78 -1.64 0.00 0.00 178.16 177.84 2wqb h GLY 1025N 1.10 0.00 0.86 1.82 0.00 -0.09 0.26 103.07 107.02 2wqb h GLY 1025Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.49 2wqb h GLY 1025CO -0.10 0.00 -0.65 -2.08 0.00 0.00 0.00 176.54 173.70 2wqb h VAL 1026N 0.00 1.40 -0.65 4.60 2.07 -0.77 0.18 116.25 123.08 2wqb h VAL 1026Ca -0.00 -2.07 0.13 0.00 0.82 0.00 0.00 66.70 65.58 2wqb h VAL 1026Cb 0.06 2.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.24 2wqb h VAL 1026CO 0.00 0.61 0.14 0.25 0.02 0.00 0.00 177.57 178.60 2wqb h LEU 1027N 0.00 0.01 -0.04 2.57 5.85 -0.10 0.61 115.31 124.20 2wqb h LEU 1027Ca -0.08 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2wqb h LEU 1027Cb 1.35 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 2wqb h LEU 1027CO 0.13 -0.00 0.00 0.25 -0.34 0.00 0.00 178.44 178.48 2wqb h LEU 1028N 0.27 0.06 -0.91 2.25 5.85 -0.28 0.68 115.31 123.23 2wqb h LEU 1028Ca 0.35 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 58.92 2wqb h LEU 1028Cb 0.54 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.46 2wqb h LEU 1028CO -0.44 0.34 0.51 -0.25 -0.34 0.00 0.00 178.44 178.27 2wqb h TRP 1029N -0.22 0.90 -0.39 1.25 7.01 -0.30 -0.75 115.95 123.45 2wqb h TRP 1029Ca 0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2wqb h TRP 1029Cb 0.31 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 2wqb h TRP 1029CO 0.03 0.24 0.23 0.93 -2.79 0.00 0.00 178.44 177.08 2wqb h GLU 1030N 0.72 0.53 -0.30 2.65 5.08 0.11 -2.33 114.58 121.05 2wqb h GLU 1030Ca 0.50 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 2wqb h GLU 1030Cb 0.68 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2wqb h GLU 1030CO -0.35 0.40 0.16 0.82 -1.00 0.00 0.00 179.01 179.04 2wqb h ILE 1031N 0.51 1.01 -0.21 3.13 2.04 0.43 -1.48 117.51 122.94 2wqb h ILE 1031Ca 0.14 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2wqb h ILE 1031Cb 0.01 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2wqb h ILE 1031CO -0.03 0.06 -0.09 0.58 0.00 0.00 0.00 178.15 178.67 2wqb h VAL 1032N 0.33 1.19 -0.38 1.67 2.07 -1.02 -1.24 116.25 118.87 2wqb h VAL 1032Ca 0.12 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2wqb h VAL 1032Cb 0.02 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2wqb h VAL 1032CO -0.07 0.26 0.06 -1.54 0.02 0.00 0.00 177.57 176.30 2wqb n SER 1033N -4.27 3.77 -4.29 0.57 3.41 -0.81 -4.86 113.62 107.15 2wqb n SER 1033Ca -0.00 -2.62 -0.37 0.00 -0.26 0.00 0.00 58.87 55.62 2wqb n SER 1033Cb 0.27 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 2wqb n SER 1033CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wqb n LEU 1034N 0.24 -1.51 0.00 1.04 4.77 -0.47 -1.83 117.00 119.24 2wqb n LEU 1034Ca 0.20 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2wqb n LEU 1034Cb 0.88 -1.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2wqb n LEU 1034CO 0.22 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2wqb n GLY 1035N -1.40 1.10 3.76 -0.72 0.00 -0.62 -3.97 105.19 103.33 2wqb n GLY 1035Ca 0.05 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2wqb n GLY 1035CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wqb s GLY 1036N -2.17 2.75 -0.19 -0.02 0.00 -0.76 -4.84 107.32 102.08 2wqb s GLY 1036Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 2wqb s GLY 1036CO 0.00 1.41 1.14 -1.59 0.00 0.00 0.00 173.10 174.05 2wqb s THR 1037N -1.58 4.51 0.19 0.90 2.01 -0.49 -4.82 115.64 116.36 2wqb s THR 1037Ca 0.72 1.82 -0.31 0.00 0.31 0.00 0.00 61.69 64.23 2wqb s THR 1037Cb -0.30 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 2wqb s THR 1037CO 0.34 -0.15 1.39 -2.16 -0.69 0.00 0.00 174.62 173.35 2wqb s PRO 1038N 3.25 4.32 -0.72 4.92 0.05 -1.26 -2.91 135.00 142.66 2wqb s PRO 1038Ca 0.49 2.16 -0.01 0.00 0.05 0.00 0.00 61.00 63.69 2wqb s PRO 1038Cb -0.18 -3.18 -0.01 0.00 0.05 0.00 0.00 34.50 31.18 2wqb s PRO 1038CO 0.10 -0.38 0.60 0.66 0.05 0.00 0.00 177.00 178.03 2wqb n TYR 1039N 3.04 -1.38 -2.08 0.56 4.01 -1.26 -4.94 117.16 115.11 2wqb n TYR 1039Ca 0.09 0.57 -0.42 0.00 -0.16 0.00 0.00 57.90 57.97 2wqb n TYR 1039Cb 0.41 -3.81 -0.03 0.00 -0.31 0.00 0.00 39.34 35.60 2wqb n TYR 1039CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wqb n GLY 1041N 3.75 2.97 3.65 0.00 0.00 -1.26 -5.04 105.19 109.26 2wqb n GLY 1041Ca 0.14 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2wqb n GLY 1041CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wqb n MET 1042N 0.00 1.27 -3.53 1.61 2.00 -1.18 -4.87 117.12 112.42 2wqb n MET 1042Ca 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 57.70 57.97 2wqb n MET 1042Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 33.22 30.95 2wqb n MET 1042CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2wqb s THR 1043N -1.38 4.49 0.23 2.03 -4.23 -1.26 -4.96 115.64 110.56 2wqb s THR 1043Ca 0.71 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2wqb s THR 1043Cb -0.45 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 69.99 2wqb s THR 1043CO 0.50 -0.27 1.77 0.00 -0.54 0.00 0.00 174.62 176.09 2wqb h ALA 1045N 1.46 -0.22 -0.84 0.00 0.00 -2.01 -2.62 119.26 115.03 2wqb h ALA 1045Ca 0.37 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.44 2wqb h ALA 1045Cb 0.43 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2wqb h ALA 1045CO -0.29 -0.69 0.44 0.93 0.00 0.00 0.00 179.25 179.63 2wqb h GLU 1046N -0.30 0.64 0.57 0.00 5.08 -1.64 -2.18 114.58 116.75 2wqb h GLU 1046Ca 0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2wqb h GLU 1046Cb 0.43 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2wqb h GLU 1046CO -0.27 0.42 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.74 2wqb h LEU 1047N 0.66 -0.90 -0.98 1.33 3.38 -1.07 -1.48 115.31 116.25 2wqb h LEU 1047Ca 0.44 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.62 2wqb h LEU 1047Cb 0.57 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.43 2wqb h LEU 1047CO -0.33 -0.56 -0.39 1.88 0.09 0.00 0.00 178.44 179.13 2wqb h TYR 1048N -0.88 -1.10 -0.50 1.13 -1.99 -1.04 -0.49 116.97 112.10 2wqb h TYR 1048Ca -0.07 0.11 -0.08 0.00 2.00 0.00 0.00 58.73 60.69 2wqb h TYR 1048Cb 0.72 0.63 -0.02 0.00 2.00 0.00 0.00 36.73 40.05 2wqb h TYR 1048CO -0.10 -0.40 -0.00 1.49 -0.00 0.00 0.00 178.16 179.14 2wqb h GLU 1049N -0.01 0.84 0.00 4.88 4.81 -1.36 -3.31 114.58 120.43 2wqb h GLU 1049Ca 0.34 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2wqb h GLU 1049Cb 0.59 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2wqb h GLU 1049CO -0.98 0.85 -0.91 0.87 -0.73 0.00 0.00 179.01 178.11 2wqb h LYS 1050N 0.78 0.00 -0.00 1.92 1.79 -0.06 -3.34 116.57 117.66 2wqb h LYS 1050Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2wqb h LYS 1050Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2wqb h LYS 1050CO 0.02 0.00 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.29 2wqb h LEU 1051N 0.00 0.03 -2.36 2.94 3.38 -1.25 -1.29 115.31 116.77 2wqb h LEU 1051Ca 0.00 -0.79 0.03 0.00 0.09 0.00 0.00 57.88 57.21 2wqb h LEU 1051Cb 0.98 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wqb h LEU 1051CO 0.00 0.82 0.19 -0.65 0.09 0.00 0.00 178.44 178.88 2wqb h PRO 1052N -0.75 0.00 0.00 1.13 0.11 -1.75 0.39 132.00 131.12 2wqb h PRO 1052Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2wqb h PRO 1052Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2wqb h PRO 1052CO 0.01 0.00 -0.09 0.37 -0.21 0.00 0.00 178.00 178.08 2wqb h GLN 1053N 0.00 0.00 0.00 1.05 5.75 -1.65 -3.46 115.11 116.79 2wqb h GLN 1053Ca 0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2wqb h GLN 1053Cb 0.42 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2wqb h GLN 1053CO -0.00 0.09 0.00 0.41 -2.65 0.00 0.00 178.83 176.68 2wqb n GLY 1054N -0.02 1.02 3.74 2.39 0.00 0.13 -5.09 105.19 107.35 2wqb n GLY 1054Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wqb n GLY 1054CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wqb s TYR 1055N -2.00 3.26 0.14 1.61 6.14 -0.50 -5.02 117.35 120.97 2wqb s TYR 1055Ca 0.00 1.30 0.06 0.00 0.64 0.00 0.00 57.07 59.08 2wqb s TYR 1055Cb 0.00 -3.58 -0.04 0.00 0.42 0.00 0.00 41.96 38.76 2wqb s TYR 1055CO 0.00 -1.72 -0.14 1.03 0.64 0.00 0.00 175.55 175.35 2wqb s ARG 1056N -0.50 1.09 0.37 4.97 1.81 -1.26 -4.60 118.95 120.83 2wqb s ARG 1056Ca 0.54 -1.31 -0.25 0.00 -1.72 0.00 0.00 55.73 52.99 2wqb s ARG 1056Cb -0.36 -0.97 -0.12 0.00 -0.45 0.00 0.00 34.95 33.04 2wqb s ARG 1056CO 0.41 0.18 0.90 1.28 -0.68 0.00 0.00 175.30 177.39 2wqb n LEU 1057N 0.38 1.68 -4.74 2.53 4.77 -1.26 -4.93 117.00 115.43 2wqb n LEU 1057Ca -0.14 1.06 -0.40 0.00 -0.03 0.00 0.00 56.01 56.49 2wqb n LEU 1057Cb 0.57 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 2wqb n LEU 1057CO 0.28 -1.79 0.59 -1.61 -1.33 0.00 0.00 177.39 173.53 2wqb s GLU 1058N -1.74 4.65 -0.03 3.23 8.01 -1.26 -4.98 118.70 126.58 2wqb s GLU 1058Ca 0.62 1.32 -0.33 0.00 0.01 0.00 0.00 54.97 56.59 2wqb s GLU 1058Cb -0.63 -3.35 -0.11 0.00 -4.31 0.00 0.00 34.13 25.74 2wqb s GLU 1058CO 0.58 0.32 1.92 1.17 0.01 0.00 0.00 175.26 179.26 2wqb n LYS 1059N 2.46 2.46 -1.76 1.61 4.81 -1.26 -4.95 118.16 121.54 2wqb n LYS 1059Ca -0.01 0.90 -0.37 0.00 -0.87 0.00 0.00 58.31 57.96 2wqb n LYS 1059Cb 0.49 -2.79 0.06 0.00 0.02 0.00 0.00 35.03 32.80 2wqb n LYS 1059CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2wqb s PRO 1060N 4.18 2.77 0.57 1.64 0.02 -1.26 -4.92 135.00 138.00 2wqb s PRO 1060Ca 0.91 2.12 0.33 0.00 0.02 0.00 0.00 61.00 64.38 2wqb s PRO 1060Cb -0.59 -1.99 1.75 0.00 0.02 0.00 0.00 34.50 33.69 2wqb s PRO 1060CO 0.48 -1.44 2.17 -0.07 -0.33 0.00 0.00 177.00 177.80 2wqb h LEU 1061N 0.88 0.00 -2.55 -5.54 3.38 -1.92 -1.89 115.31 107.67 2wqb h LEU 1061Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2wqb h LEU 1061Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2wqb h LEU 1061CO 0.55 0.05 0.00 -0.46 0.09 0.00 0.00 178.44 178.67 2wqb n ASN 1062N -3.48 3.75 -4.47 -0.43 6.94 -1.26 -4.97 115.26 111.34 2wqb n ASN 1062Ca -0.02 -2.00 -0.34 0.00 -0.02 0.00 0.00 54.58 52.20 2wqb n ASN 1062Cb 0.18 -0.40 -0.12 0.00 -2.36 0.00 0.00 39.78 37.07 2wqb n ASN 1062CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wqb s ASP 1064N 0.57 3.93 0.25 0.00 2.15 0.46 -4.84 116.67 119.20 2wqb s ASP 1064Ca -0.03 2.18 0.01 0.00 0.43 0.00 0.00 52.55 55.15 2wqb s ASP 1064Cb -0.14 -2.57 0.32 0.00 -0.30 0.00 0.00 42.92 40.23 2wqb s ASP 1064CO 0.03 -2.43 1.66 0.44 -0.17 0.00 0.00 175.17 174.69 2wqb h ASP 1065N -0.90 0.51 -0.35 -0.34 3.32 -1.98 -2.64 116.42 114.04 2wqb h ASP 1065Ca -0.45 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.26 2wqb h ASP 1065Cb 1.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2wqb h ASP 1065CO 0.48 0.82 -0.31 -0.33 -1.72 0.00 0.00 179.24 178.18 2wqb h GLU 1066N 0.42 0.83 -0.57 3.56 5.08 -1.96 0.29 114.58 122.24 2wqb h GLU 1066Ca 0.05 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2wqb h GLU 1066Cb 0.80 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2wqb h GLU 1066CO 0.06 1.06 0.33 0.28 -1.00 0.00 0.00 179.01 179.74 2wqb h VAL 1067N 0.62 1.02 -0.52 3.13 2.07 -1.85 0.81 116.25 121.53 2wqb h VAL 1067Ca 0.06 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 2wqb h VAL 1067Cb 0.89 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2wqb h VAL 1067CO 0.08 0.12 0.11 0.22 0.02 0.00 0.00 177.57 178.11 2wqb h TYR 1068N 0.64 0.89 -0.42 1.57 3.20 -1.27 -2.00 116.97 119.59 2wqb h TYR 1068Ca 0.24 -0.12 0.08 0.00 3.14 0.00 0.00 58.73 62.08 2wqb h TYR 1068Cb 0.08 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.02 2wqb h TYR 1068CO -0.07 0.80 -0.09 0.22 -1.64 0.00 0.00 178.16 177.38 2wqb h ASP 1069N 0.73 -0.35 -0.49 -2.11 3.58 0.65 0.33 116.42 118.77 2wqb h ASP 1069Ca 0.16 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.79 2wqb h ASP 1069Cb 0.37 0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 2wqb h ASP 1069CO 0.01 -0.12 0.18 0.25 -2.88 0.00 0.00 179.24 176.67 2wqb h LEU 1070N 0.02 0.20 -0.91 2.28 5.85 -0.54 -0.03 115.31 122.18 2wqb h LEU 1070Ca 0.20 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.07 2wqb h LEU 1070Cb 0.31 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2wqb h LEU 1070CO -0.42 0.14 0.55 0.24 -0.34 0.00 0.00 178.44 178.62 2wqb h MET 1071N 0.36 0.91 0.00 1.25 2.86 -0.40 -1.59 114.93 118.32 2wqb h MET 1071Ca 0.23 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 2wqb h MET 1071Cb 0.23 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2wqb h MET 1071CO -0.23 0.60 -0.31 0.00 1.06 0.00 0.00 176.91 178.03 2wqb h ARG 1072N 0.94 0.00 -0.19 1.72 2.47 0.91 -1.31 114.38 118.92 2wqb h ARG 1072Ca 0.43 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 59.00 2wqb h ARG 1072Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2wqb h ARG 1072CO -0.23 0.31 -0.48 1.96 0.56 0.00 0.00 179.97 182.10 2wqb h GLN 1073N 0.00 0.49 0.00 0.04 4.20 -0.56 -2.35 115.11 116.93 2wqb h GLN 1073Ca -0.00 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 2wqb h GLN 1073Cb 0.56 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2wqb h GLN 1073CO 0.04 0.86 -0.14 0.00 -0.67 0.00 0.00 178.83 178.93 2wqb n TRP 1075N -3.72 1.52 -1.69 0.00 8.01 -0.90 -3.55 117.44 117.13 2wqb n TRP 1075Ca -0.02 -0.72 -0.40 0.00 -1.31 0.00 0.00 57.50 55.06 2wqb n TRP 1075Cb 0.25 -0.35 0.03 0.00 -2.01 0.00 0.00 31.31 29.22 2wqb n TRP 1075CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 2wqb n ARG 1076N 0.48 1.57 -0.18 -0.99 1.74 -0.98 -4.89 116.66 113.42 2wqb n ARG 1076Ca 0.25 0.57 -0.10 0.00 -0.77 0.00 0.00 57.85 57.80 2wqb n ARG 1076Cb 0.99 -2.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 2wqb n ARG 1076CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2wqb h GLU 1077N 1.49 0.91 -5.92 5.56 4.81 -1.93 -3.40 114.58 116.11 2wqb h GLU 1077Ca -0.48 -0.31 -0.61 0.00 -0.13 0.00 0.00 59.36 57.83 2wqb h GLU 1077Cb 1.32 -0.08 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 2wqb h GLU 1077CO 0.57 0.95 0.45 0.15 -0.73 0.00 0.00 179.01 180.40 2wqb s LYS 1078N -4.96 3.60 0.13 1.92 -0.14 -1.26 -4.93 119.74 114.09 2wqb s LYS 1078Ca -0.12 0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.36 2wqb s LYS 1078Cb 0.12 -3.88 -0.07 0.00 -1.68 0.00 0.00 37.83 32.32 2wqb s LYS 1078CO 0.83 -1.04 1.57 -1.35 -0.76 0.00 0.00 175.35 174.60 2wqb h PRO 1079N 8.79 -0.47 0.00 -1.68 0.11 -1.97 0.19 132.00 136.98 2wqb h PRO 1079Ca -0.24 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wqb h PRO 1079Cb 1.08 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wqb h PRO 1079CO 0.97 -0.31 0.23 0.10 -0.21 0.00 0.00 178.00 178.77 2wqb h TYR 1080N -0.48 0.00 0.00 0.65 -0.00 -1.95 0.86 116.97 116.04 2wqb h TYR 1080Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.68 2wqb h TYR 1080Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.35 2wqb h TYR 1080CO -0.56 0.00 -0.57 0.93 -0.00 0.00 0.00 178.16 177.96 2wqb h GLU 1081N 0.00 0.00 -7.25 0.10 5.08 -1.00 -3.47 114.58 108.04 2wqb h GLU 1081Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2wqb h GLU 1081Cb 0.46 0.00 0.19 0.00 0.50 0.00 0.00 28.75 29.90 2wqb h GLU 1081CO 0.00 0.57 0.19 1.03 -1.00 0.00 0.00 179.01 179.81 2wqb s ARG 1082N -3.32 0.76 0.78 2.33 0.52 0.29 -5.00 118.95 115.31 2wqb s ARG 1082Ca 0.01 1.37 -0.10 0.00 -0.52 0.00 0.00 55.73 56.48 2wqb s ARG 1082Cb 0.11 -1.71 0.09 0.00 0.52 0.00 0.00 34.95 33.95 2wqb s ARG 1082CO 0.74 -2.75 1.13 -1.25 0.02 0.00 0.00 175.30 173.19 2wqb s PRO 1083N -4.64 1.88 0.47 3.54 0.05 -1.26 -5.06 135.00 129.98 2wqb s PRO 1083Ca 0.66 -0.13 -0.01 0.00 0.05 0.00 0.00 61.00 61.57 2wqb s PRO 1083Cb -0.23 -2.03 -0.01 0.00 0.05 0.00 0.00 34.50 32.28 2wqb s PRO 1083CO 0.59 -1.55 0.72 -1.54 0.05 0.00 0.00 177.00 175.26 2wqb s SER 1084N -4.60 5.86 0.20 6.66 1.04 -1.26 -4.93 113.70 116.67 2wqb s SER 1084Ca 0.63 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 57.39 2wqb s SER 1084Cb -0.10 -1.66 0.14 0.00 0.10 0.00 0.00 66.02 64.50 2wqb s SER 1084CO 0.48 -0.73 1.83 -0.26 0.98 0.00 0.00 173.24 175.54 2wqb h PHE 1085N 0.30 0.98 -0.72 5.02 0.04 -1.94 -1.50 116.94 119.12 2wqb h PHE 1085Ca -0.46 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.45 2wqb h PHE 1085Cb 1.25 -0.32 -0.12 0.00 2.20 0.00 0.00 35.95 38.96 2wqb h PHE 1085CO 0.47 0.68 0.00 0.00 -0.60 0.00 0.00 178.31 178.86 2wqb h ALA 1086N 1.21 0.73 0.09 2.45 0.00 -1.93 0.46 119.26 122.28 2wqb h ALA 1086Ca 0.26 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2wqb h ALA 1086Cb 0.01 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wqb h ALA 1086CO -0.04 -0.41 -0.04 1.96 0.00 0.00 0.00 179.25 180.71 2wqb h GLN 1087N 0.11 -0.12 0.06 0.00 4.20 -1.79 0.49 115.11 118.06 2wqb h GLN 1087Ca 0.39 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.13 2wqb h GLN 1087Cb 0.67 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 2wqb h GLN 1087CO -0.63 0.04 -0.49 0.82 -0.67 0.00 0.00 178.83 177.90 2wqb h ILE 1088N -0.24 0.06 -0.60 2.54 2.04 -0.63 -1.17 117.51 119.51 2wqb h ILE 1088Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2wqb h ILE 1088Cb 0.20 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.27 2wqb h ILE 1088CO 0.02 0.00 0.21 0.25 0.00 0.00 0.00 178.15 178.63 2wqb h LEU 1089N -0.68 0.19 0.26 1.44 5.85 0.08 0.89 115.31 123.34 2wqb h LEU 1089Ca 0.02 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wqb h LEU 1089Cb 0.72 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2wqb h LEU 1089CO -0.31 0.12 -0.49 0.58 -0.34 0.00 0.00 178.44 178.00 2wqb h VAL 1090N 0.38 0.00 -0.89 1.05 2.07 0.45 -1.52 116.25 117.79 2wqb h VAL 1090Ca 0.30 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.96 2wqb h VAL 1090Cb 0.38 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 2wqb h VAL 1090CO -0.31 0.00 0.50 -1.28 0.02 0.00 0.00 177.57 176.50 2wqb h SER 1091N -0.80 0.67 -0.82 0.57 0.87 -0.32 0.61 113.55 114.32 2wqb h SER 1091Ca -0.03 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2wqb h SER 1091Cb 0.76 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 2wqb h SER 1091CO -0.19 0.32 0.41 -0.07 -0.53 0.00 0.00 176.83 176.77 2wqb h LEU 1092N 0.75 1.07 -0.82 2.23 3.38 -0.50 -2.25 115.31 119.18 2wqb h LEU 1092Ca 0.47 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 2wqb h LEU 1092Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2wqb h LEU 1092CO -0.32 0.89 -0.01 0.78 0.09 0.00 0.00 178.44 179.87 2wqb h ASN 1093N 1.17 0.85 0.13 -0.43 2.35 0.13 0.27 115.58 120.05 2wqb h ASN 1093Ca 0.29 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2wqb h ASN 1093Cb 0.09 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2wqb h ASN 1093CO -0.04 0.92 -0.26 -0.09 -1.65 0.00 0.00 177.43 176.30 2wqb h ARG 1094N 0.81 -0.46 -0.72 0.81 2.43 -1.19 -2.17 114.38 113.89 2wqb h ARG 1094Ca 0.15 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 2wqb h ARG 1094Cb 0.49 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 2wqb h ARG 1094CO 0.02 -0.31 0.35 0.52 -1.51 0.00 0.00 179.97 179.04 2wqb h MET 1095N -0.48 0.56 -0.95 0.20 2.86 -0.57 -1.49 114.93 115.06 2wqb h MET 1095Ca 0.03 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2wqb h MET 1095Cb 0.50 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2wqb h MET 1095CO -0.14 0.37 0.62 -0.07 1.06 0.00 0.00 176.91 178.75 2wqb h LEU 1096N 0.58 1.05 -0.62 1.22 3.38 -0.41 -2.95 115.31 117.56 2wqb h LEU 1096Ca 0.36 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.17 2wqb h LEU 1096Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2wqb h LEU 1096CO -0.29 0.74 -0.68 -0.08 0.09 0.00 0.00 178.44 178.22 2wqb h GLU 1097N 1.23 0.08 -7.05 1.13 4.57 -0.62 -3.44 114.58 110.48 2wqb h GLU 1097Ca 0.37 -0.06 -0.55 0.00 -1.18 0.00 0.00 59.36 57.93 2wqb h GLU 1097Cb -0.05 0.01 0.17 0.00 -0.16 0.00 0.00 28.75 28.72 2wqb h GLU 1097CO -0.11 0.72 0.26 0.39 -1.18 0.00 0.00 179.01 179.10 2wqb n GLU 1098N -3.77 0.61 0.02 1.92 -0.58 -0.87 -4.91 120.64 113.06 2wqb n GLU 1098Ca -0.02 0.27 0.14 0.00 -0.42 0.00 0.00 57.16 57.13 2wqb n GLU 1098Cb 0.66 -2.35 0.53 0.00 -0.57 0.00 0.00 31.44 29.71 2wqb n GLU 1098CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2wqb n ARG 1099N -2.17 0.05 -2.35 3.49 1.85 -1.26 -4.93 116.66 111.34 2wqb n ARG 1099Ca 0.14 0.04 -0.38 0.00 -1.00 0.00 0.00 57.85 56.65 2wqb n ARG 1099Cb 0.49 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 2wqb n ARG 1099CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2wqb s LYS 1100N -3.02 4.12 -0.29 2.89 2.20 -1.26 -4.98 119.74 119.40 2wqb s LYS 1100Ca 0.13 1.78 -0.28 0.00 -0.36 0.00 0.00 55.97 57.24 2wqb s LYS 1100Cb 0.18 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2wqb s LYS 1100CO 0.56 -0.24 1.00 0.99 -0.36 0.00 0.00 175.35 177.30 2wqb s THR 1101N -1.43 4.63 -0.13 3.43 2.01 -1.26 -4.91 115.64 117.97 2wqb s THR 1101Ca 0.56 1.72 0.18 0.00 0.31 0.00 0.00 61.69 64.46 2wqb s THR 1101Cb -0.29 -4.32 -0.17 0.00 0.01 0.00 0.00 72.50 67.72 2wqb s THR 1101CO 0.37 -0.33 0.68 -1.22 -0.69 0.00 0.00 174.62 173.43 2wqb n TYR 1102N 6.55 0.70 -3.90 4.92 4.02 -1.26 -4.81 117.16 123.38 2wqb n TYR 1102Ca 0.10 0.23 -0.30 0.00 -0.01 0.00 0.00 57.90 57.92 2wqb n TYR 1102Cb 0.47 -0.98 -0.16 0.00 -0.02 0.00 0.00 39.34 38.65 2wqb n TYR 1102CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2wqb s VAL 1103N -2.97 1.34 0.15 -0.72 1.01 -1.26 -0.40 120.40 117.55 2wqb s VAL 1103Ca -0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 2wqb s VAL 1103Cb 0.09 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 2wqb s VAL 1103CO 0.83 -0.13 1.02 0.21 0.00 0.00 0.00 175.10 177.02 2wqb s ASN 1104N 1.48 7.41 0.00 3.32 2.47 0.82 -4.22 114.94 126.23 2wqb s ASN 1104Ca -0.05 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.17 2wqb s ASN 1104Cb -0.19 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 2wqb s ASN 1104CO -0.07 -0.11 0.74 0.35 -3.72 0.00 0.00 177.10 174.29 2wqb n THR 1105N 2.48 0.55 -3.55 -5.21 -2.24 -1.26 -4.84 114.28 100.20 2wqb n THR 1105Ca 0.02 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 2wqb n THR 1105Cb 0.48 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 2wqb n THR 1105CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wqb s THR 1106N -0.55 5.29 0.18 4.28 2.01 -1.26 0.44 115.64 126.03 2wqb s THR 1106Ca 0.00 0.33 -0.22 0.00 0.31 0.00 0.00 61.69 62.11 2wqb s THR 1106Cb 0.00 -3.58 0.09 0.00 0.01 0.00 0.00 72.50 69.02 2wqb s THR 1106CO 0.00 0.27 1.59 -0.07 -0.69 0.00 0.00 174.62 175.72 2wqb h LEU 1107N 7.98 -1.11 0.00 4.42 3.38 -0.85 -3.47 115.31 125.66 2wqb h LEU 1107Ca -0.36 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wqb h LEU 1107Cb 1.17 0.54 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2wqb h LEU 1107CO 0.63 -0.31 0.00 -1.22 0.09 0.00 0.00 178.44 177.63 2wqb n TYR 1108N -5.42 0.00 0.48 1.13 4.01 -1.26 -2.91 117.16 113.19 2wqb n TYR 1108Ca 0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.88 2wqb n TYR 1108Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 2wqb n TYR 1108CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wqb n GLU 1109N 14.00 0.34 -3.54 -0.72 -0.58 -1.26 -4.96 120.64 123.91 2wqb n GLU 1109Ca 0.00 -0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.54 2wqb n GLU 1109Cb 0.00 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.24 2wqb n GLU 1109CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2wqb s LYS 1110N -3.25 0.88 -0.19 3.49 2.20 -1.15 -5.18 119.74 116.54 2wqb s LYS 1110Ca 0.01 0.23 -0.24 0.00 -0.36 0.00 0.00 55.97 55.61 2wqb s LYS 1110Cb 0.14 0.41 0.06 0.00 -1.51 0.00 0.00 37.83 36.94 2wqb s LYS 1110CO 0.84 -0.27 0.64 0.12 -0.36 0.00 0.00 175.35 176.33 2wqb s PHE 1111N -1.12 -0.68 -0.07 4.03 5.36 -1.26 -4.84 117.98 119.40 2wqb s PHE 1111Ca -0.07 1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 57.42 2wqb s PHE 1111Cb -0.00 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.99 2wqb s PHE 1111CO 0.07 -0.41 0.04 0.99 -1.46 0.00 0.00 175.22 174.45 2wqb s THR 1112N -0.08 0.09 -0.16 0.12 2.01 -1.26 -5.11 115.64 111.25 2wqb s THR 1112Ca -0.03 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 2wqb s THR 1112Cb -0.04 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 2wqb s THR 1112CO 0.03 0.16 1.02 -0.31 -0.69 0.00 0.00 174.62 174.82 2wqb s TYR 1113N 2.08 3.44 0.14 4.92 2.02 -1.26 -4.92 117.35 123.77 2wqb s TYR 1113Ca 0.05 1.53 -0.34 0.00 -0.37 0.00 0.00 57.07 57.94 2wqb s TYR 1113Cb -0.13 -3.22 -0.16 0.00 -0.40 0.00 0.00 41.96 38.05 2wqb s TYR 1113CO -0.05 -0.34 1.25 0.00 -1.57 0.00 0.00 175.55 174.85 2wqb n ALA 1114N 5.58 -0.77 -1.66 3.71 0.00 -1.26 -4.89 120.51 121.23 2wqb n ALA 1114Ca 0.10 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.62 2wqb n ALA 1114Cb 0.48 -2.06 0.02 0.00 0.00 0.00 0.00 19.45 17.88 2wqb n ALA 1114CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqb n GLY 1115N 2.25 0.15 0.56 0.00 0.00 -1.26 -4.63 105.19 102.27 2wqb n GLY 1115Ca 0.16 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 2wqb n GLY 1115CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wqb n ILE 1116N -0.56 0.78 0.00 -0.61 5.41 -1.26 -1.39 119.36 121.73 2wqb n ILE 1116Ca 0.09 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2wqb n ILE 1116Cb 0.41 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 2wqb n ILE 1116CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2wqb n ASP 1117N -3.64 0.00 -0.94 4.38 9.92 -1.26 -4.58 116.55 120.44 2wqb n ASP 1117Ca -0.28 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.07 2wqb n ASP 1117Cb 0.69 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.14 2wqb n ASP 1117CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wqb s SER 1119N -4.92 7.02 0.00 0.00 0.01 -1.26 -5.04 113.70 109.51 2wqb s SER 1119Ca 0.00 -2.88 0.29 0.00 1.31 0.00 0.00 55.95 54.67 2wqb s SER 1119Cb 0.00 -2.43 1.35 0.00 0.21 0.00 0.00 66.02 65.15 2wqb s SER 1119CO 0.00 -0.82 1.91 0.00 0.41 0.00 0.00 173.24 174.74