#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayz n ALA 818 N 0.00 -2.21 -2.56 7.82 0.00 -1.26 -5.18 120.51 117.13 2ayz n ALA 818 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 53.44 52.47 2ayz n ALA 818 Cb 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 2ayz n ALA 818 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayz s VAL 819 N -2.15 1.62 -0.40 0.00 1.01 -1.26 -5.07 120.40 114.16 2ayz s VAL 819 Ca 0.19 -1.54 0.10 0.00 0.00 0.00 0.00 61.98 60.72 2ayz s VAL 819 Cb -0.02 -1.51 0.43 0.00 0.00 0.00 0.00 36.38 35.29 2ayz s VAL 819 CO 0.03 -0.11 1.04 -1.20 0.00 0.00 0.00 175.10 174.86 2ayz n SER 820 N 1.04 3.46 -4.78 3.32 7.64 -1.26 -5.08 113.62 117.97 2ayz n SER 820 Ca -0.19 -3.35 -0.37 0.00 1.01 0.00 0.00 58.87 55.97 2ayz n SER 820 Cb 0.54 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 2ayz n SER 820 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2ayz s ASP 821 N -3.37 6.82 0.00 6.43 1.47 -1.26 -4.92 116.67 121.84 2ayz s ASP 821 Ca 0.40 2.12 0.00 0.00 1.18 0.00 0.00 52.55 56.25 2ayz s ASP 821 Cb 0.42 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 40.40 2ayz s ASP 821 CO -0.10 -0.45 0.00 -3.20 0.68 0.00 0.00 175.17 172.10 2ayz n ASN 822 N 0.18 0.00 0.00 2.11 5.15 -1.26 -5.02 115.26 116.42 2ayz n ASN 822 Ca 0.04 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 2ayz n ASN 822 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2ayz n ASN 822 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayz n ASP 823 N 0.00 0.00 0.00 1.20 2.03 -1.26 -4.74 116.55 113.78 2ayz n ASP 823 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ayz n ASP 823 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayz n ASP 824 N 1.93 0.00 -4.33 1.67 2.03 -1.26 -4.80 116.55 111.79 2ayz n ASP 824 Ca 0.00 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.84 2ayz n ASP 824 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2ayz n ASP 824 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2ayz s MET 825 N 0.00 3.47 -0.49 -0.67 -1.94 -1.26 -5.01 119.30 113.40 2ayz s MET 825 Ca 0.00 -2.26 -0.23 0.00 -1.71 0.00 0.00 55.69 51.49 2ayz s MET 825 Cb 0.00 -4.42 0.03 0.00 2.01 0.00 0.00 34.83 32.46 2ayz s MET 825 CO 0.00 -1.32 0.83 1.41 -0.01 0.00 0.00 175.02 175.93 2ayz s MET 826 N 0.60 3.36 -0.02 2.03 1.75 -1.26 -1.89 119.30 123.87 2ayz s MET 826 Ca 0.15 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.39 2ayz s MET 826 Cb -0.14 -3.99 -0.04 0.00 2.84 0.00 0.00 34.83 33.50 2ayz s MET 826 CO -0.06 -1.25 0.01 0.42 -0.65 0.00 0.00 175.02 173.50 2ayz s ILE 827 N 3.46 4.28 -0.31 10.11 -1.09 0.03 -0.72 121.20 136.95 2ayz s ILE 827 Ca 0.29 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 58.11 2ayz s ILE 827 Cb -0.13 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 2ayz s ILE 827 CO 0.21 0.43 0.19 -0.22 -1.23 0.00 0.00 174.94 174.32 2ayz s LEU 828 N -1.42 4.22 -0.37 2.97 2.96 -0.13 -1.41 118.68 125.50 2ayz s LEU 828 Ca 0.18 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 2ayz s LEU 828 Cb -0.12 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.54 2ayz s LEU 828 CO 0.09 -0.17 0.17 0.54 -1.32 0.00 0.00 176.35 175.66 2ayz s VAL 829 N 1.69 4.06 -0.06 1.68 0.11 0.45 -1.21 120.40 127.12 2ayz s VAL 829 Ca 0.06 -1.16 0.04 0.00 -2.93 0.00 0.00 61.98 57.99 2ayz s VAL 829 Cb -0.17 -3.35 -0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2ayz s VAL 829 CO 0.09 -0.29 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.70 2ayz s VAL 830 N 1.43 2.64 -0.03 2.04 1.01 0.28 -1.07 120.40 126.70 2ayz s VAL 830 Ca 0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2ayz s VAL 830 Cb -0.20 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2ayz s VAL 830 CO 0.03 0.57 0.27 -0.62 0.00 0.00 0.00 175.10 175.36 2ayz s ASP 831 N -0.38 -0.18 0.00 3.32 -1.08 -1.03 -0.71 116.67 116.62 2ayz s ASP 831 Ca 0.04 0.15 0.25 0.00 -0.52 0.00 0.00 52.55 52.47 2ayz s ASP 831 Cb -0.12 0.36 0.47 0.00 -1.46 0.00 0.00 42.92 42.17 2ayz s ASP 831 CO 0.02 -0.35 1.39 -0.90 0.52 0.00 0.00 175.17 175.86 2ayz n ASP 832 N 1.72 1.69 -4.24 -0.34 5.75 -0.78 -4.28 116.55 116.07 2ayz n ASP 832 Ca -0.20 -1.33 -0.33 0.00 -0.01 0.00 0.00 54.79 52.92 2ayz n ASP 832 Cb 0.56 0.22 -0.16 0.00 -1.03 0.00 0.00 41.12 40.71 2ayz n ASP 832 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2ayz s HIS 833 N -2.36 2.75 0.27 2.11 3.76 -1.26 -4.99 115.29 115.57 2ayz s HIS 833 Ca 0.25 -1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.00 2ayz s HIS 833 Cb 0.19 -1.86 0.36 0.00 1.11 0.00 0.00 32.58 32.38 2ayz s HIS 833 CO 0.48 -0.51 1.94 -1.35 -0.85 0.00 0.00 174.74 174.46 2ayz h PRO 834 N 7.29 1.20 -0.32 8.40 0.11 -1.99 0.35 132.00 147.04 2ayz h PRO 834 Ca -0.32 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 65.54 2ayz h PRO 834 Cb 1.19 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2ayz h PRO 834 CO 0.56 0.79 -0.49 0.82 -0.21 0.00 0.00 178.00 179.48 2ayz h ILE 835 N 1.24 1.27 -0.28 4.15 1.08 -2.00 -1.57 117.51 121.40 2ayz h ILE 835 Ca 0.35 -1.67 -0.16 0.00 -0.39 0.00 0.00 64.86 62.99 2ayz h ILE 835 Cb -0.10 1.54 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2ayz h ILE 835 CO -0.09 0.55 -0.47 -1.13 -0.69 0.00 0.00 178.15 176.33 2ayz h ASN 836 N 0.70 0.89 -0.37 1.72 -1.24 -1.90 -2.66 115.58 112.73 2ayz h ASN 836 Ca 0.03 -0.52 0.04 0.00 0.71 0.00 0.00 56.30 56.56 2ayz h ASN 836 Cb 1.09 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.84 2ayz h ASN 836 CO 0.11 1.25 0.12 -0.09 -1.29 0.00 0.00 177.43 177.53 2ayz h ARG 837 N 0.57 0.26 -0.19 6.67 2.43 -0.25 0.12 114.38 123.99 2ayz h ARG 837 Ca 0.02 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2ayz h ARG 837 Cb 1.07 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 2ayz h ARG 837 CO 0.11 0.17 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.55 2ayz h ARG 838 N 0.27 -0.09 -0.06 0.20 1.12 -1.21 -0.67 114.38 113.94 2ayz h ARG 838 Ca 0.17 0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.87 2ayz h ARG 838 Cb 0.15 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2ayz h ARG 838 CO -0.18 -0.06 -0.71 1.25 -3.11 0.00 0.00 179.97 177.16 2ayz h LEU 839 N -0.09 0.38 -0.39 3.80 6.46 -1.11 0.53 115.31 124.90 2ayz h LEU 839 Ca 0.11 -0.25 -0.08 0.00 -0.12 0.00 0.00 57.88 57.54 2ayz h LEU 839 Cb 0.25 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2ayz h LEU 839 CO -0.25 0.97 -0.07 0.25 -0.62 0.00 0.00 178.44 178.72 2ayz h LEU 840 N 0.22 0.73 -0.65 2.25 5.85 -0.59 -0.29 115.31 122.82 2ayz h LEU 840 Ca -0.02 -0.35 -0.14 0.00 0.84 0.00 0.00 57.88 58.20 2ayz h LEU 840 Cb 1.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2ayz h LEU 840 CO 0.12 0.91 -0.47 0.00 -0.34 0.00 0.00 178.44 178.66 2ayz h ALA 841 N 0.85 0.83 -0.25 1.25 0.00 -0.99 -2.03 119.26 118.92 2ayz h ALA 841 Ca 0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2ayz h ALA 841 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ayz h ALA 841 CO 0.03 0.66 0.15 0.22 0.00 0.00 0.00 179.25 180.31 2ayz h ASP 842 N 0.39 0.30 -0.64 0.00 1.82 -0.71 -0.01 116.42 117.57 2ayz h ASP 842 Ca 0.02 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2ayz h ASP 842 Cb 0.98 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 2ayz h ASP 842 CO 0.09 0.28 0.40 1.56 -1.61 0.00 0.00 179.24 179.96 2ayz h GLN 843 N 0.30 0.85 -0.61 0.28 7.50 -0.96 -2.22 115.11 120.26 2ayz h GLN 843 Ca 0.09 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.13 2ayz h GLN 843 Cb 0.03 -0.19 -0.03 0.00 0.05 0.00 0.00 27.48 27.35 2ayz h GLN 843 CO -0.02 0.59 0.18 1.25 -1.50 0.00 0.00 178.83 179.34 2ayz h LEU 844 N 0.87 0.86 -0.77 1.46 5.85 -1.09 -1.47 115.31 121.01 2ayz h LEU 844 Ca 0.23 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2ayz h LEU 844 Cb -0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 2ayz h LEU 844 CO -0.05 0.81 0.32 1.23 -0.34 0.00 0.00 178.44 180.41 2ayz h GLY 845 N 1.01 1.23 2.00 3.75 0.00 -0.45 -1.83 103.07 108.79 2ayz h GLY 845 Ca 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2ayz h GLY 845 CO -0.01 0.62 0.00 1.76 0.00 0.00 0.00 176.54 178.91 2ayz h SER 846 N 1.11 0.00 0.04 0.19 0.02 -1.12 -2.36 113.55 111.42 2ayz h SER 846 Ca 0.26 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.09 2ayz h SER 846 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2ayz h SER 846 CO -0.02 0.00 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.20 2ayz h LEU 847 N 0.00 0.49 0.00 5.07 -0.00 -0.66 -3.47 115.31 116.73 2ayz h LEU 847 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2ayz h LEU 847 Cb 0.81 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2ayz h LEU 847 CO 0.00 0.83 0.00 0.61 -0.00 0.00 0.00 178.44 179.88 2ayz n GLY 848 N -0.09 1.29 3.66 0.83 0.00 -0.74 -5.10 105.19 105.03 2ayz n GLY 848 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2ayz n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayz s TYR 849 N -2.00 2.89 0.11 1.61 2.02 -1.05 -4.94 117.35 115.99 2ayz s TYR 849 Ca 0.00 -0.09 -0.31 0.00 -0.37 0.00 0.00 57.07 56.30 2ayz s TYR 849 Cb 0.00 -1.46 -0.10 0.00 -0.40 0.00 0.00 41.96 40.00 2ayz s TYR 849 CO 0.00 0.48 1.80 -1.14 -1.57 0.00 0.00 175.55 175.12 2ayz s GLN 850 N -2.49 4.15 -0.41 -0.62 2.00 -0.79 -4.46 119.66 117.03 2ayz s GLN 850 Ca 0.25 2.54 -0.10 0.00 -2.00 0.00 0.00 55.36 56.05 2ayz s GLN 850 Cb -0.11 -3.64 0.06 0.00 0.80 0.00 0.00 33.01 30.13 2ayz s GLN 850 CO 0.17 -0.83 0.26 0.00 -0.50 0.00 0.00 175.29 174.40 2ayz s LYS 852 N 1.49 3.10 -0.00 0.00 3.01 -0.50 -4.94 119.74 121.90 2ayz s LYS 852 Ca 0.03 -0.77 -0.19 0.00 -1.01 0.00 0.00 55.97 54.02 2ayz s LYS 852 Cb -0.22 -3.96 -0.06 0.00 -1.01 0.00 0.00 37.83 32.58 2ayz s LYS 852 CO 0.04 -0.83 0.54 0.95 0.51 0.00 0.00 175.35 176.57 2ayz s THR 853 N 2.08 4.92 0.19 2.17 -4.23 -1.26 -0.41 115.64 119.10 2ayz s THR 853 Ca 0.11 1.14 -0.03 0.00 -1.18 0.00 0.00 61.69 61.73 2ayz s THR 853 Cb -0.17 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 2ayz s THR 853 CO 0.13 0.46 0.16 0.00 -0.54 0.00 0.00 174.62 174.83 2ayz s ALA 854 N -0.43 0.86 -0.42 3.99 0.00 -0.23 -4.97 121.76 120.57 2ayz s ALA 854 Ca 0.29 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.82 2ayz s ALA 854 Cb -0.18 1.20 0.23 0.00 0.00 0.00 0.00 23.12 24.37 2ayz s ALA 854 CO 0.16 -0.60 0.56 -1.71 0.00 0.00 0.00 175.76 174.17 2ayz n ASN 855 N -0.24 -0.65 0.00 0.00 5.15 -1.26 -2.46 115.26 115.80 2ayz n ASN 855 Ca -0.01 -2.74 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 2ayz n ASN 855 Cb 0.65 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayz n ASP 856 N 1.80 0.00 -0.11 1.20 -0.08 -1.26 -4.83 116.55 113.28 2ayz n ASP 856 Ca 0.21 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.37 2ayz n ASP 856 Cb 0.54 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 2ayz n ASP 856 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ayz h GLY 857 N 0.00 0.71 1.94 0.27 0.00 -1.96 -2.74 103.07 101.30 2ayz h GLY 857 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 2ayz h GLY 857 CO 0.00 0.59 -0.43 -0.39 0.00 0.00 0.00 176.54 176.31 2ayz h VAL 858 N 0.42 1.31 -0.18 4.60 -1.51 -1.94 -2.74 116.25 116.21 2ayz h VAL 858 Ca 0.07 -1.50 -0.04 0.00 -1.23 0.00 0.00 66.70 64.00 2ayz h VAL 858 Cb 0.68 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 2ayz h VAL 858 CO 0.05 0.43 -0.07 -0.78 -1.23 0.00 0.00 177.57 175.97 2ayz h ASP 859 N 0.05 0.25 0.23 4.19 3.58 -1.84 -0.61 116.42 122.27 2ayz h ASP 859 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2ayz h ASP 859 Cb 0.78 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2ayz h ASP 859 CO 0.06 0.36 -0.20 0.00 -2.88 0.00 0.00 179.24 176.58 2ayz h ALA 860 N 1.67 -0.43 0.00 -0.78 0.00 -1.19 0.59 119.26 119.13 2ayz h ALA 860 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2ayz h ALA 860 Cb 0.30 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2ayz h ALA 860 CO 0.01 -0.76 -0.53 1.37 0.00 0.00 0.00 179.25 179.34 2ayz h LEU 861 N -0.45 0.00 -0.13 0.00 8.10 -1.59 -1.47 115.31 119.76 2ayz h LEU 861 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2ayz h LEU 861 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 2ayz h LEU 861 CO -0.03 0.53 0.06 -1.13 -4.11 0.00 0.00 178.44 173.76 2ayz h ASN 862 N 0.00 0.18 -0.29 0.17 -1.24 -0.86 -0.05 115.58 113.50 2ayz h ASN 862 Ca -0.01 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.80 2ayz h ASN 862 Cb 1.10 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.08 2ayz h ASN 862 CO 0.07 0.29 0.02 0.58 -1.29 0.00 0.00 177.43 177.10 2ayz h VAL 863 N 0.07 1.21 -0.11 2.57 2.07 -0.75 -1.74 116.25 119.56 2ayz h VAL 863 Ca 0.05 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2ayz h VAL 863 Cb 0.16 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2ayz h VAL 863 CO -0.00 0.28 -0.24 -0.07 0.02 0.00 0.00 177.57 177.56 2ayz h LEU 864 N 0.58 0.19 -0.21 2.57 3.38 -0.87 0.39 115.31 121.33 2ayz h LEU 864 Ca 0.12 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2ayz h LEU 864 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ayz h LEU 864 CO 0.01 0.43 -0.64 0.28 0.09 0.00 0.00 178.44 178.61 2ayz h SER 865 N 0.18 0.00 0.38 -0.43 0.02 -0.19 -3.31 113.55 110.20 2ayz h SER 865 Ca 0.03 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.66 2ayz h SER 865 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2ayz h SER 865 CO 0.04 0.64 -1.58 0.11 -1.14 0.00 0.00 176.83 174.90 2ayz h LYS 866 N 0.00 0.30 -3.91 3.45 1.79 -0.89 -3.48 116.57 113.83 2ayz h LYS 866 Ca -0.01 -0.52 -0.12 0.00 -2.18 0.00 0.00 60.65 57.83 2ayz h LYS 866 Cb 1.40 0.19 -0.16 0.00 -1.58 0.00 0.00 32.23 32.09 2ayz h LYS 866 CO 0.08 1.19 -0.53 0.54 -1.08 0.00 0.00 179.45 179.65 2ayz s ASN 867 N -7.10 0.24 0.15 0.86 6.03 0.09 -5.10 114.94 110.10 2ayz s ASN 867 Ca -0.11 -0.67 -0.27 0.00 -1.03 0.00 0.00 52.86 50.78 2ayz s ASN 867 Cb 0.06 0.24 -0.07 0.00 -3.03 0.00 0.00 41.25 38.45 2ayz s ASN 867 CO 0.86 -0.58 0.86 -1.38 -2.03 0.00 0.00 177.10 174.83 2ayz s HIS 868 N -3.17 3.87 0.08 1.54 -3.43 -1.26 -4.11 115.29 108.81 2ayz s HIS 868 Ca -0.00 1.71 0.03 0.00 -0.80 0.00 0.00 55.06 56.00 2ayz s HIS 868 Cb 0.02 -2.89 -0.03 0.00 -1.43 0.00 0.00 32.58 28.24 2ayz s HIS 868 CO -0.07 0.39 -0.09 -1.50 -2.00 0.00 0.00 174.74 171.46 2ayz s ILE 869 N -0.69 0.79 -0.18 -5.38 1.10 -1.26 -4.94 121.20 110.64 2ayz s ILE 869 Ca 0.40 -1.49 -0.15 0.00 -0.51 0.00 0.00 60.65 58.91 2ayz s ILE 869 Cb -0.23 -1.16 -0.08 0.00 0.15 0.00 0.00 42.46 41.14 2ayz s ILE 869 CO 0.28 -0.53 -0.22 -0.67 -2.11 0.00 0.00 174.94 171.70 2ayz n ASP 870 N 0.80 1.89 -4.39 4.50 -0.08 0.10 -4.95 116.55 114.41 2ayz n ASP 870 Ca -0.18 0.45 -0.33 0.00 -1.51 0.00 0.00 54.79 53.22 2ayz n ASP 870 Cb 0.57 -0.83 -0.14 0.00 2.34 0.00 0.00 41.12 43.06 2ayz n ASP 870 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ayz s ILE 871 N -2.54 3.16 -0.27 5.18 -1.09 -1.24 -4.39 121.20 120.01 2ayz s ILE 871 Ca -0.25 -0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 57.44 2ayz s ILE 871 Cb 0.05 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 2ayz s ILE 871 CO 0.39 0.52 0.16 -0.69 -1.23 0.00 0.00 174.94 174.09 2ayz s VAL 872 N 0.31 5.08 -0.33 2.92 1.01 -1.10 -0.96 120.40 127.32 2ayz s VAL 872 Ca -0.09 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2ayz s VAL 872 Cb -0.16 -3.40 0.10 0.00 0.00 0.00 0.00 36.38 32.92 2ayz s VAL 872 CO 0.05 0.28 0.07 -0.76 0.00 0.00 0.00 175.10 174.74 2ayz s LEU 873 N 1.64 4.06 -0.32 3.92 1.43 -0.35 -0.67 118.68 128.39 2ayz s LEU 873 Ca 0.07 -2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 51.09 2ayz s LEU 873 Cb -0.16 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.69 2ayz s LEU 873 CO 0.09 -0.39 0.06 -0.94 0.23 0.00 0.00 176.35 175.40 2ayz s SER 874 N 1.08 5.14 -0.30 2.29 1.04 -1.03 -0.56 113.70 121.37 2ayz s SER 874 Ca 0.11 -1.15 -0.15 0.00 0.48 0.00 0.00 55.95 55.24 2ayz s SER 874 Cb -0.19 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 2ayz s SER 874 CO -0.13 -0.29 0.39 -0.62 0.98 0.00 0.00 173.24 173.57 2ayz s ASP 875 N 1.36 6.24 -0.14 7.02 -1.08 0.12 -1.41 116.67 128.77 2ayz s ASP 875 Ca -0.03 0.07 0.01 0.00 -0.52 0.00 0.00 52.55 52.09 2ayz s ASP 875 Cb -0.19 -2.21 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 2ayz s ASP 875 CO 0.01 -0.27 -0.15 -0.69 0.52 0.00 0.00 175.17 174.59 2ayz s VAL 876 N 2.10 1.58 -0.89 1.11 1.01 0.14 -1.86 120.40 123.58 2ayz s VAL 876 Ca 0.14 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 61.59 2ayz s VAL 876 Cb -0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2ayz s VAL 876 CO 0.11 0.46 0.62 -0.46 0.00 0.00 0.00 175.10 175.83 2ayz n ASN 877 N 4.62 1.10 -4.32 3.32 0.23 -1.26 -2.24 115.26 116.72 2ayz n ASN 877 Ca -0.18 -1.05 -0.46 0.00 -0.53 0.00 0.00 54.58 52.37 2ayz n ASN 877 Cb 0.50 0.59 -0.05 0.00 -2.08 0.00 0.00 39.78 38.74 2ayz n ASN 877 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2ayz s MET 878 N -1.58 2.97 -0.21 -3.83 1.75 -1.26 -4.78 119.30 112.36 2ayz s MET 878 Ca 0.08 -1.67 -0.05 0.00 -1.25 0.00 0.00 55.69 52.80 2ayz s MET 878 Cb 0.09 -4.27 -0.15 0.00 2.84 0.00 0.00 34.83 33.34 2ayz s MET 878 CO 0.31 -1.29 3.31 -0.35 -0.65 0.00 0.00 175.02 176.35 2ayz n PRO 879 N 5.23 2.21 -0.00 4.11 -0.04 -1.26 -4.02 135.00 141.23 2ayz n PRO 879 Ca -0.14 -1.52 0.02 0.00 -0.04 0.00 0.00 63.50 61.83 2ayz n PRO 879 Cb 0.40 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 2ayz n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ayz n ASN 880 N 1.96 1.68 0.18 3.54 5.15 -1.26 -4.94 115.26 121.57 2ayz n ASN 880 Ca 0.46 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2ayz n ASN 880 Cb 0.77 1.09 0.00 0.00 -0.53 0.00 0.00 39.78 41.11 2ayz n ASN 880 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayz n MET 881 N -1.33 0.00 0.00 1.20 1.56 -1.26 -5.16 117.12 112.13 2ayz n MET 881 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2ayz n MET 881 Cb 0.09 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.46 2ayz n MET 881 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2ayz n ASP 882 N -3.30 0.00 -0.97 6.12 -0.08 -1.26 -4.66 116.55 112.40 2ayz n ASP 882 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 2ayz n ASP 882 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 2ayz n ASP 882 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ayz n GLY 883 N 5.00 0.34 0.06 0.27 0.00 -1.26 -4.71 105.19 104.89 2ayz n GLY 883 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2ayz n GLY 883 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ayz n TYR 884 N -3.61 -0.07 0.23 1.61 9.36 -1.26 -4.70 117.16 118.72 2ayz n TYR 884 Ca -0.03 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.25 2ayz n TYR 884 Cb 0.53 0.01 0.55 0.00 -0.63 0.00 0.00 39.34 39.80 2ayz n TYR 884 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2ayz h ARG 885 N 0.00 0.00 0.00 2.98 1.12 -1.86 -1.24 114.38 115.38 2ayz h ARG 885 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2ayz h ARG 885 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2ayz h ARG 885 CO 0.00 0.16 -0.06 1.37 -3.11 0.00 0.00 179.97 178.33 2ayz h LEU 886 N 0.00 0.00 0.00 3.80 -0.00 -1.94 0.33 115.31 117.50 2ayz h LEU 886 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 2ayz h LEU 886 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2ayz h LEU 886 CO 0.02 0.06 -1.22 0.00 -0.00 0.00 0.00 178.44 177.30 2ayz h THR 887 N 0.00 1.06 -0.17 0.15 1.03 -1.51 -1.91 112.91 111.56 2ayz h THR 887 Ca -0.00 -2.71 -0.01 0.00 -0.01 0.00 0.00 66.41 63.68 2ayz h THR 887 Cb 0.30 2.48 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 2ayz h THR 887 CO 0.01 0.60 0.07 -0.61 -0.01 0.00 0.00 175.52 175.58 2ayz h GLN 888 N 0.00 0.25 -0.32 0.00 5.75 -0.38 -1.94 115.11 118.47 2ayz h GLN 888 Ca -0.13 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2ayz h GLN 888 Cb 1.75 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.24 2ayz h GLN 888 CO 0.09 0.31 0.03 0.00 -2.65 0.00 0.00 178.83 176.61 2ayz h ARG 889 N 0.12 0.47 -0.39 1.69 2.47 -0.99 -0.22 114.38 117.55 2ayz h ARG 889 Ca 0.06 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 2ayz h ARG 889 Cb 0.16 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2ayz h ARG 889 CO -0.01 0.48 -0.09 0.82 0.56 0.00 0.00 179.97 181.73 2ayz h ILE 890 N 0.46 1.28 0.00 2.04 2.04 -1.20 -0.27 117.51 121.86 2ayz h ILE 890 Ca 0.10 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 2ayz h ILE 890 Cb 0.26 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2ayz h ILE 890 CO 0.00 0.39 -0.19 0.08 0.00 0.00 0.00 178.15 178.43 2ayz h ARG 891 N 0.55 0.00 -0.15 2.37 0.11 -0.90 -0.20 114.38 116.16 2ayz h ARG 891 Ca 0.10 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.98 2ayz h ARG 891 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2ayz h ARG 891 CO 0.04 0.19 -0.72 1.96 0.10 0.00 0.00 179.97 181.54 2ayz h GLN 892 N 0.00 0.68 -0.06 0.08 1.08 -0.67 -3.09 115.11 113.13 2ayz h GLN 892 Ca -0.00 -0.53 -0.13 0.00 -1.45 0.00 0.00 58.65 56.54 2ayz h GLN 892 Cb 0.69 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2ayz h GLN 892 CO 0.02 1.14 -0.54 1.25 -0.95 0.00 0.00 178.83 179.76 2ayz h LEU 893 N 0.48 0.19 0.00 1.46 5.85 -0.57 -3.48 115.31 119.24 2ayz h LEU 893 Ca -0.03 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2ayz h LEU 893 Cb 1.32 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2ayz h LEU 893 CO 0.14 0.70 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 2ayz n GLY 894 N 0.10 0.47 3.67 3.75 0.00 -0.13 -5.04 105.19 108.00 2ayz n GLY 894 Ca -0.02 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2ayz n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayz s LEU 895 N 0.00 4.22 -0.19 0.99 2.34 -1.16 -4.86 118.68 120.01 2ayz s LEU 895 Ca 0.00 1.75 0.15 0.00 0.06 0.00 0.00 54.13 56.08 2ayz s LEU 895 Cb 0.00 -3.55 0.42 0.00 -0.56 0.00 0.00 46.19 42.50 2ayz s LEU 895 CO 0.00 -0.70 1.29 0.35 -1.06 0.00 0.00 176.35 176.23 2ayz n THR 896 N 5.09 2.18 -3.66 5.48 -2.24 -1.26 -5.01 114.28 114.86 2ayz n THR 896 Ca 0.13 -2.50 -0.12 0.00 -2.27 0.00 0.00 64.05 59.29 2ayz n THR 896 Cb 0.45 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2ayz n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayz s LEU 897 N -3.02 0.39 -0.00 3.22 2.34 -1.26 -4.99 118.68 115.35 2ayz s LEU 897 Ca 0.38 -0.04 -0.30 0.00 0.06 0.00 0.00 54.13 54.23 2ayz s LEU 897 Cb 0.34 1.76 -0.05 0.00 -0.56 0.00 0.00 46.19 47.68 2ayz s LEU 897 CO 0.01 -0.69 1.32 -2.16 -1.06 0.00 0.00 176.35 173.77 2ayz s PRO 898 N -2.64 4.32 -0.45 1.48 0.04 -1.26 -4.99 135.00 131.49 2ayz s PRO 898 Ca -0.04 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 2ayz s PRO 898 Cb -0.00 -3.52 0.07 0.00 0.04 0.00 0.00 34.50 31.08 2ayz s PRO 898 CO -0.04 -0.49 0.35 0.08 0.04 0.00 0.00 177.00 176.95 2ayz s VAL 899 N 2.11 5.01 -0.47 -0.36 1.01 -1.09 -2.71 120.40 123.89 2ayz s VAL 899 Ca 0.61 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 2ayz s VAL 899 Cb -0.30 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.14 2ayz s VAL 899 CO 0.26 -0.53 0.63 -0.63 0.00 0.00 0.00 175.10 174.83 2ayz s ILE 900 N 1.60 4.85 -0.66 2.22 1.01 0.15 -1.07 121.20 129.30 2ayz s ILE 900 Ca 0.04 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 2ayz s ILE 900 Cb -0.23 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.08 2ayz s ILE 900 CO 0.06 -0.68 0.92 -0.83 0.00 0.00 0.00 174.94 174.41 2ayz s GLY 901 N 2.25 1.46 -0.02 6.18 0.00 0.11 -2.45 107.32 114.85 2ayz s GLY 901 Ca 0.19 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.67 2ayz s GLY 901 CO 0.16 1.97 1.12 0.14 0.00 0.00 0.00 173.10 176.50 2ayz s VAL 902 N 3.77 4.41 0.04 1.40 1.01 -0.50 -0.91 120.40 129.62 2ayz s VAL 902 Ca 0.20 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 2ayz s VAL 902 Cb -0.18 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2ayz s VAL 902 CO 0.09 0.06 -0.02 0.42 0.00 0.00 0.00 175.10 175.65 2ayz s THR 903 N 1.62 0.17 -0.25 3.92 -4.23 0.08 -0.68 115.64 116.27 2ayz s THR 903 Ca 0.55 -1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2ayz s THR 903 Cb -0.24 -0.94 0.10 0.00 1.34 0.00 0.00 72.50 72.76 2ayz s THR 903 CO 0.24 -0.75 0.19 0.00 -0.54 0.00 0.00 174.62 173.77 2ayz s ALA 904 N -2.78 0.04 -1.17 3.99 0.00 -0.95 -2.70 121.76 118.20 2ayz s ALA 904 Ca -0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 2ayz s ALA 904 Cb -0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 2ayz s ALA 904 CO -0.06 -1.46 0.83 -1.71 0.00 0.00 0.00 175.76 173.36 2ayz n ASN 905 N 5.29 -4.10 -2.41 0.00 2.85 -1.26 -4.58 115.26 111.05 2ayz n ASN 905 Ca -0.05 -0.82 -0.34 0.00 -0.11 0.00 0.00 54.58 53.27 2ayz n ASN 905 Cb 0.46 -4.37 0.06 0.00 1.24 0.00 0.00 39.78 37.18 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayz n ALA 906 N -3.90 6.26 -0.06 5.20 0.00 -1.26 -4.65 120.51 122.09 2ayz n ALA 906 Ca -0.17 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 49.87 2ayz n ALA 906 Cb 0.64 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2ayz n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayz n LEU 907 N -0.65 0.00 -3.25 0.00 7.94 -1.26 -3.77 117.00 116.02 2ayz n LEU 907 Ca 0.57 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 55.25 2ayz n LEU 907 Cb 0.56 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.44 2ayz n LEU 907 CO 0.68 0.00 -0.23 0.00 -1.11 0.00 0.00 177.39 176.73 2ayz n ALA 908 N 0.06 1.94 -0.15 1.96 0.00 -1.26 -5.01 120.51 118.05 2ayz n ALA 908 Ca 0.00 -2.78 -0.06 0.00 0.00 0.00 0.00 53.44 50.61 2ayz n ALA 908 Cb 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 18.59 2ayz n ALA 908 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ayz h GLU 909 N 5.25 0.50 -0.98 0.00 3.07 -1.91 -1.05 114.58 119.45 2ayz h GLU 909 Ca 0.20 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.09 2ayz h GLU 909 Cb 0.94 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.67 2ayz h GLU 909 CO 0.33 0.33 0.63 0.93 -1.40 0.00 0.00 179.01 179.83 2ayz h GLU 910 N 0.52 1.10 -0.34 2.33 5.08 -1.94 -1.21 114.58 120.13 2ayz h GLU 910 Ca 0.20 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2ayz h GLU 910 Cb 0.07 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2ayz h GLU 910 CO -0.12 0.73 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.31 2ayz h LYS 911 N 1.13 0.56 -0.42 2.33 3.64 -1.64 -1.23 116.57 120.94 2ayz h LYS 911 Ca 0.42 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.51 2ayz h LYS 911 Cb 0.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2ayz h LYS 911 CO -0.17 0.65 -0.27 1.96 -2.27 0.00 0.00 179.45 179.35 2ayz h GLN 912 N 0.52 0.91 -0.84 1.90 7.50 -0.45 -0.50 115.11 124.15 2ayz h GLN 912 Ca 0.10 -0.41 -0.03 0.00 0.50 0.00 0.00 58.65 58.81 2ayz h GLN 912 Cb 0.47 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.95 2ayz h GLN 912 CO 0.03 1.06 0.41 -0.09 -1.50 0.00 0.00 178.83 178.74 2ayz h ARG 913 N 0.77 1.21 -0.31 1.46 2.43 -0.86 -1.51 114.38 117.58 2ayz h ARG 913 Ca 0.09 -0.17 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 2ayz h ARG 913 Cb 0.83 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2ayz h ARG 913 CO 0.07 0.92 -0.46 0.00 -1.51 0.00 0.00 179.97 179.00 2ayz h LEU 915 N 0.64 -0.17 -0.25 0.00 5.85 -0.81 -3.17 115.31 117.41 2ayz h LEU 915 Ca 0.04 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2ayz h LEU 915 Cb 1.03 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2ayz h LEU 915 CO 0.10 0.20 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.87 2ayz h GLU 916 N -0.56 0.00 -6.16 1.25 4.39 -1.37 -3.48 114.58 108.65 2ayz h GLU 916 Ca -0.02 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.25 2ayz h GLU 916 Cb 0.43 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2ayz h GLU 916 CO 0.03 0.20 -0.86 0.43 -1.16 0.00 0.00 179.01 177.65 2ayz n SER 917 N -3.18 -1.80 -1.07 1.42 7.64 0.18 -3.61 113.62 113.20 2ayz n SER 917 Ca 0.03 -0.88 -0.00 0.00 1.01 0.00 0.00 58.87 59.02 2ayz n SER 917 Cb 0.57 -3.80 -0.01 0.00 -1.01 0.00 0.00 64.21 59.96 2ayz n SER 917 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayz n GLY 918 N -1.66 0.77 0.00 0.23 0.00 -1.16 -4.68 105.19 98.69 2ayz n GLY 918 Ca -0.26 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2ayz n GLY 918 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ayz n MET 919 N 0.21 0.00 0.00 1.61 1.56 -1.26 -4.46 117.12 114.78 2ayz n MET 919 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.38 2ayz n MET 919 Cb 0.87 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.24 2ayz n MET 919 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2ayz n ASP 920 N 0.00 0.00 -4.12 6.12 2.03 -0.23 -2.67 116.55 117.68 2ayz n ASP 920 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2ayz n ASP 920 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ayz s SER 921 N 0.00 0.08 -0.03 1.67 1.04 -1.10 -4.99 113.70 110.38 2ayz s SER 921 Ca 0.00 -1.23 0.03 0.00 0.48 0.00 0.00 55.95 55.22 2ayz s SER 921 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2ayz s SER 921 CO 0.00 -0.95 -0.10 0.00 0.98 0.00 0.00 173.24 173.17 2ayz n LEU 923 N 3.30 0.00 -4.60 0.00 4.77 -0.08 -4.94 117.00 115.45 2ayz n LEU 923 Ca -0.18 -1.74 -0.27 0.00 -0.03 0.00 0.00 56.01 53.78 2ayz n LEU 923 Cb 0.54 0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.91 2ayz n LEU 923 CO 0.25 -0.26 -0.39 -0.94 -1.33 0.00 0.00 177.39 174.72 2ayz s SER 924 N -2.47 4.45 0.21 -1.43 1.04 -1.26 -0.74 113.70 113.50 2ayz s SER 924 Ca 0.05 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.89 2ayz s SER 924 Cb 0.00 -0.84 0.28 0.00 0.10 0.00 0.00 66.02 65.56 2ayz s SER 924 CO 0.04 0.11 1.67 0.50 0.98 0.00 0.00 173.24 176.54 2ayz h LYS 925 N 2.99 0.12 -3.95 4.02 1.63 -1.85 -3.26 116.57 116.27 2ayz h LYS 925 Ca -0.47 -0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 58.75 2ayz h LYS 925 Cb 1.20 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 32.82 2ayz h LYS 925 CO 0.55 0.08 2.64 -2.30 -3.45 0.00 0.00 179.45 176.97 2ayz n PRO 926 N -5.26 2.05 -2.42 1.90 -0.02 -1.26 -4.88 135.00 125.10 2ayz n PRO 926 Ca 0.08 -1.84 -0.40 0.00 -2.02 0.00 0.00 63.50 59.32 2ayz n PRO 926 Cb 0.34 -2.80 -0.03 0.00 -0.02 0.00 0.00 33.50 30.99 2ayz n PRO 926 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ayz s VAL 927 N 4.01 3.64 0.89 -1.45 -7.23 -1.23 -5.01 120.40 114.02 2ayz s VAL 927 Ca 0.51 0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 60.84 2ayz s VAL 927 Cb 0.13 -4.68 0.15 0.00 0.56 0.00 0.00 36.38 32.55 2ayz s VAL 927 CO 0.02 -1.62 1.26 0.42 -0.31 0.00 0.00 175.10 174.87 2ayz s THR 928 N 6.58 2.01 0.16 5.32 -4.23 -1.26 -4.79 115.64 119.42 2ayz s THR 928 Ca 0.44 -0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 2ayz s THR 928 Cb -0.09 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.80 2ayz s THR 928 CO 0.15 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.27 2ayz h LEU 929 N -1.38 0.36 -0.20 4.79 7.12 -1.96 0.86 115.31 124.91 2ayz h LEU 929 Ca -0.45 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.53 2ayz h LEU 929 Cb 1.27 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.34 2ayz h LEU 929 CO 0.49 0.26 -0.04 -0.78 -0.13 0.00 0.00 178.44 178.24 2ayz h ASP 930 N 0.47 0.38 -0.56 1.25 3.58 -1.99 0.08 116.42 119.62 2ayz h ASP 930 Ca 0.17 -0.36 0.03 0.00 0.42 0.00 0.00 57.03 57.30 2ayz h ASP 930 Cb 0.05 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2ayz h ASP 930 CO -0.10 0.65 0.33 0.58 -2.88 0.00 0.00 179.24 177.81 2ayz h VAL 931 N 0.10 1.03 -0.81 2.25 2.07 -1.90 -1.80 116.25 117.20 2ayz h VAL 931 Ca 0.05 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2ayz h VAL 931 Cb 0.48 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2ayz h VAL 931 CO 0.02 0.12 0.43 0.40 0.02 0.00 0.00 177.57 178.55 2ayz h ILE 932 N 0.64 1.24 -0.12 4.57 2.04 -0.61 -2.31 117.51 122.95 2ayz h ILE 932 Ca 0.23 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2ayz h ILE 932 Cb 0.07 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2ayz h ILE 932 CO -0.12 0.27 0.04 0.50 0.00 0.00 0.00 178.15 178.84 2ayz h LYS 933 N 1.13 0.18 -0.35 2.37 3.64 -0.15 0.11 116.57 123.51 2ayz h LYS 933 Ca 0.28 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 2ayz h LYS 933 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2ayz h LYS 933 CO -0.04 0.31 -0.35 -0.56 -2.27 0.00 0.00 179.45 176.54 2ayz h GLN 934 N 0.01 0.80 -0.35 1.90 3.07 -1.33 -0.30 115.11 118.91 2ayz h GLN 934 Ca 0.04 -0.39 -0.05 0.00 0.09 0.00 0.00 58.65 58.34 2ayz h GLN 934 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 2ayz h GLN 934 CO -0.00 1.02 0.02 1.15 0.09 0.00 0.00 178.83 181.11 2ayz h THR 935 N 0.67 1.25 -0.57 1.86 2.02 -1.30 -0.02 112.91 116.81 2ayz h THR 935 Ca 0.07 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 2ayz h THR 935 Cb 0.90 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2ayz h THR 935 CO 0.08 0.31 0.05 -0.07 0.37 0.00 0.00 175.52 176.26 2ayz h LEU 936 N 0.42 0.94 -0.17 2.58 -0.00 -0.67 -0.07 115.31 118.34 2ayz h LEU 936 Ca 0.10 -0.28 -0.03 0.00 -0.00 0.00 0.00 57.88 57.68 2ayz h LEU 936 Cb 0.41 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 2ayz h LEU 936 CO 0.01 0.98 0.01 0.74 -0.00 0.00 0.00 178.44 180.18 2ayz h THR 937 N 0.86 1.25 -0.50 0.22 2.02 -0.97 0.11 112.91 115.90 2ayz h THR 937 Ca 0.17 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2ayz h THR 937 Cb 0.47 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2ayz h THR 937 CO 0.02 0.24 0.28 0.25 0.37 0.00 0.00 175.52 176.68 2ayz h LEU 938 N 0.06 0.62 -0.41 2.58 6.46 -0.90 -2.70 115.31 121.02 2ayz h LEU 938 Ca 0.05 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 2ayz h LEU 938 Cb 0.36 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2ayz h LEU 938 CO 0.01 0.52 -0.46 1.88 -0.62 0.00 0.00 178.44 179.77 2ayz h TYR 939 N 0.66 0.00 -0.67 1.25 0.05 -0.95 -2.36 116.97 114.95 2ayz h TYR 939 Ca 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.89 2ayz h TYR 939 Cb 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 2ayz h TYR 939 CO -0.02 0.46 0.16 0.00 -1.05 0.00 0.00 178.16 177.72 2ayz h ALA 940 N 1.54 1.03 -0.15 3.88 0.00 -0.52 0.65 119.26 125.69 2ayz h ALA 940 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2ayz h ALA 940 Cb 1.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2ayz h ALA 940 CO 0.06 0.64 -0.54 1.05 0.00 0.00 0.00 179.25 180.46 2ayz h GLU 941 N 1.00 0.44 -0.09 0.00 -0.00 -1.34 -2.42 114.58 112.17 2ayz h GLU 941 Ca 0.21 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.36 59.28 2ayz h GLU 941 Cb 0.35 0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 29.12 2ayz h GLU 941 CO 0.00 0.87 -0.02 -0.09 -0.00 0.00 0.00 179.01 179.77 2ayz h ARG 942 N 0.34 0.16 0.00 1.06 2.43 -0.87 -2.31 114.38 115.19 2ayz h ARG 942 Ca 0.01 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2ayz h ARG 942 Cb 1.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2ayz h ARG 942 CO 0.10 0.47 -0.33 -0.39 -1.51 0.00 0.00 179.97 178.31 2ayz h VAL 943 N -0.16 1.17 -0.39 0.20 -1.51 -0.94 0.12 116.25 114.74 2ayz h VAL 943 Ca 0.02 -1.14 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 2ayz h VAL 943 Cb 0.41 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2ayz h VAL 943 CO 0.01 0.32 0.13 0.03 -1.23 0.00 0.00 177.57 176.82 2ayz h ARG 944 N 0.00 0.57 0.12 5.19 -0.00 -1.20 0.13 114.38 119.19 2ayz h ARG 944 Ca -0.00 -0.08 -0.28 0.00 -0.50 0.00 0.00 59.98 59.11 2ayz h ARG 944 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.47 2ayz h ARG 944 CO 0.04 0.50 -1.29 0.87 0.00 0.00 0.00 179.97 180.09 2ayz h LYS 945 N 0.56 0.26 0.00 0.04 1.79 -0.60 -2.50 116.57 116.12 2ayz h LYS 945 Ca 0.13 -0.44 -0.10 0.00 -2.18 0.00 0.00 60.65 58.06 2ayz h LYS 945 Cb 0.17 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2ayz h LYS 945 CO -0.01 1.19 -0.46 0.77 -1.08 0.00 0.00 179.45 179.86 2ayz h SER 946 N 0.07 0.00 0.16 0.86 0.02 -0.47 -3.31 113.55 110.88 2ayz h SER 946 Ca -0.15 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.45 2ayz h SER 946 Cb 1.98 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.46 2ayz h SER 946 CO 0.19 0.46 -2.15 0.54 -1.14 0.00 0.00 176.83 174.73 2ayz n ARG 947 N -3.40 0.68 -3.13 3.45 1.74 0.42 -4.84 116.66 111.58 2ayz n ARG 947 Ca 0.01 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 2ayz n ARG 947 Cb 0.62 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.36 2ayz n ARG 947 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2ayz s ASP 948 N -6.16 6.41 0.00 0.55 2.15 -0.94 -5.09 116.67 113.59 2ayz s ASP 948 Ca -0.16 0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2ayz s ASP 948 Cb 0.07 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2ayz s ASP 948 CO 0.77 -0.58 0.00 -1.20 -0.17 0.00 0.00 175.17 173.99