#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayz s ALA 818 N 0.00 3.19 -0.05 7.82 0.00 -1.26 -5.11 121.76 126.36 2ayz s ALA 818 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2ayz s ALA 818 Cb 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2ayz s ALA 818 CO 0.00 0.62 0.03 0.14 0.00 0.00 0.00 175.76 176.55 2ayz s VAL 819 N -1.01 0.12 -0.09 0.00 -7.23 -1.26 -5.14 120.40 105.78 2ayz s VAL 819 Ca 0.17 0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.63 2ayz s VAL 819 Cb -0.11 -0.30 -0.01 0.00 0.56 0.00 0.00 36.38 36.52 2ayz s VAL 819 CO 0.08 0.20 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.41 2ayz s SER 820 N 1.84 3.32 0.00 4.85 0.01 -1.26 -5.10 113.70 117.36 2ayz s SER 820 Ca 0.02 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2ayz s SER 820 Cb -0.12 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.81 2ayz s SER 820 CO -0.03 0.19 0.00 -0.90 0.41 0.00 0.00 173.24 172.90 2ayz n ASP 821 N 3.34 0.00 0.08 2.44 5.68 -1.26 -5.10 116.55 121.72 2ayz n ASP 821 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 2ayz n ASP 821 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2ayz n ASP 821 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2ayz n ASN 822 N 0.00 -1.43 0.00 -1.12 4.05 -1.26 -5.09 115.26 110.41 2ayz n ASN 822 Ca 0.00 0.32 0.00 0.00 0.45 0.00 0.00 54.58 55.35 2ayz n ASN 822 Cb 0.00 1.64 0.00 0.00 1.23 0.00 0.00 39.78 42.65 2ayz n ASN 822 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayz n ASP 823 N -2.81 0.00 0.00 1.20 2.03 -1.26 -5.06 116.55 110.65 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 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 -3.76 1.67 2.03 -1.26 -5.01 116.55 110.22 2ayz n ASP 824 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2ayz n ASP 824 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.43 -0.38 -0.67 -1.94 -1.26 -5.07 119.30 110.41 2ayz s MET 825 Ca 0.00 0.32 -0.19 0.00 -1.71 0.00 0.00 55.69 54.11 2ayz s MET 825 Cb 0.00 0.20 0.01 0.00 2.01 0.00 0.00 34.83 37.05 2ayz s MET 825 CO 0.00 -0.07 0.55 0.00 -0.01 0.00 0.00 175.02 175.49 2ayz s MET 826 N -0.12 3.48 -0.15 2.03 0.23 -1.26 -1.99 119.30 121.51 2ayz s MET 826 Ca -0.03 -0.26 -0.06 0.00 -1.03 0.00 0.00 55.69 54.31 2ayz s MET 826 Cb -0.03 -3.86 -0.04 0.00 -1.53 0.00 0.00 34.83 29.37 2ayz s MET 826 CO 0.01 -0.77 0.04 0.42 -2.03 0.00 0.00 175.02 172.69 2ayz s ILE 827 N 2.50 4.61 -0.51 3.16 -1.09 0.33 -0.93 121.20 129.27 2ayz s ILE 827 Ca 0.19 -0.11 -0.18 0.00 -2.23 0.00 0.00 60.65 58.33 2ayz s ILE 827 Cb -0.15 -3.04 0.07 0.00 -1.58 0.00 0.00 42.46 37.76 2ayz s ILE 827 CO 0.15 0.51 0.55 -0.22 -1.23 0.00 0.00 174.94 174.69 2ayz s LEU 828 N 0.02 5.31 -0.60 2.97 2.96 -0.56 -1.27 118.68 127.51 2ayz s LEU 828 Ca 0.05 -1.16 -0.20 0.00 -0.22 0.00 0.00 54.13 52.60 2ayz s LEU 828 Cb -0.12 -2.33 0.10 0.00 0.50 0.00 0.00 46.19 44.33 2ayz s LEU 828 CO 0.01 -0.83 0.75 0.68 -1.32 0.00 0.00 176.35 175.65 2ayz s VAL 829 N 2.24 4.72 -0.17 1.68 -7.23 0.08 -1.94 120.40 119.78 2ayz s VAL 829 Ca 0.10 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.40 2ayz s VAL 829 Cb -0.22 -4.52 -0.01 0.00 0.56 0.00 0.00 36.38 32.18 2ayz s VAL 829 CO 0.09 -1.18 -0.08 -0.69 -0.31 0.00 0.00 175.10 172.93 2ayz s VAL 830 N 2.96 3.32 -0.08 1.32 1.01 -0.95 -1.19 120.40 126.79 2ayz s VAL 830 Ca 0.14 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2ayz s VAL 830 Cb -0.23 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2ayz s VAL 830 CO 0.07 0.48 0.28 -0.62 0.00 0.00 0.00 175.10 175.31 2ayz s ASP 831 N 0.80 -0.25 0.19 3.32 2.15 -0.44 -0.36 116.67 122.08 2ayz s ASP 831 Ca -0.03 0.41 0.26 0.00 0.43 0.00 0.00 52.55 53.62 2ayz s ASP 831 Cb -0.15 0.50 0.89 0.00 -0.30 0.00 0.00 42.92 43.86 2ayz s ASP 831 CO 0.01 -0.19 1.78 -0.90 -0.17 0.00 0.00 175.17 175.70 2ayz n ASP 832 N 2.47 0.67 -3.93 -0.34 5.75 -0.55 -4.13 116.55 116.48 2ayz n ASP 832 Ca -0.15 0.58 -0.29 0.00 -0.01 0.00 0.00 54.79 54.91 2ayz n ASP 832 Cb 0.57 -0.75 -0.12 0.00 -1.03 0.00 0.00 41.12 39.79 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 -3.12 3.47 0.28 2.11 3.76 -1.26 -4.99 115.29 115.53 2ayz s HIS 833 Ca 0.10 -3.26 0.16 0.00 -0.15 0.00 0.00 55.06 51.91 2ayz s HIS 833 Cb 0.13 -2.78 1.02 0.00 1.11 0.00 0.00 32.58 32.05 2ayz s HIS 833 CO 0.55 -0.62 1.19 -2.30 -0.85 0.00 0.00 174.74 172.70 2ayz n PRO 834 N 2.37 -0.04 0.08 8.40 -0.02 -1.26 0.81 135.00 145.33 2ayz n PRO 834 Ca 0.15 1.03 0.11 0.00 -2.02 0.00 0.00 63.50 62.78 2ayz n PRO 834 Cb 0.34 -1.86 0.59 0.00 -0.02 0.00 0.00 33.50 32.55 2ayz n PRO 834 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2ayz h ILE 835 N 0.00 0.92 -0.11 4.25 -0.00 -1.94 0.21 117.51 120.84 2ayz h ILE 835 Ca 0.64 -0.06 -0.19 0.00 -0.00 0.00 0.00 64.86 65.25 2ayz h ILE 835 Cb 1.72 0.74 0.01 0.00 -0.00 0.00 0.00 36.82 39.29 2ayz h ILE 835 CO -0.56 0.03 -0.68 -1.13 -0.00 0.00 0.00 178.15 175.80 2ayz h ASN 836 N 0.17 0.80 -0.13 2.16 -1.24 -0.00 -2.44 115.58 114.91 2ayz h ASN 836 Ca 0.15 -0.65 -0.05 0.00 0.71 0.00 0.00 56.30 56.45 2ayz h ASN 836 Cb 0.37 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 2ayz h ASN 836 CO -0.02 1.32 -0.07 -0.09 -1.29 0.00 0.00 177.43 177.28 2ayz h ARG 837 N 0.33 0.43 -0.07 6.67 9.65 -1.39 0.35 114.38 130.34 2ayz h ARG 837 Ca -0.05 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.75 2ayz h ARG 837 Cb 1.33 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 2ayz h ARG 837 CO 0.14 0.51 -0.07 -0.09 2.80 0.00 0.00 179.97 183.26 2ayz h ARG 838 N 0.40 -0.08 -0.39 0.20 1.12 -0.89 -0.19 114.38 114.55 2ayz h ARG 838 Ca 0.08 0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.80 2ayz h ARG 838 Cb 0.38 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 2ayz h ARG 838 CO 0.02 -0.05 -0.36 1.25 -3.11 0.00 0.00 179.97 177.72 2ayz h LEU 839 N -0.08 0.99 -1.22 3.80 6.46 -0.92 -1.94 115.31 122.40 2ayz h LEU 839 Ca 0.05 -0.46 -0.08 0.00 -0.12 0.00 0.00 57.88 57.27 2ayz h LEU 839 Cb 0.16 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2ayz h LEU 839 CO -0.12 1.24 -0.37 0.25 -0.62 0.00 0.00 178.44 178.82 2ayz h LEU 840 N 0.75 0.03 -0.99 2.25 5.85 -0.89 -1.84 115.31 120.48 2ayz h LEU 840 Ca 0.07 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2ayz h LEU 840 Cb 0.95 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2ayz h LEU 840 CO 0.09 0.40 -0.29 0.00 -0.34 0.00 0.00 178.44 178.31 2ayz h ALA 841 N 1.60 1.00 -0.15 1.25 0.00 -0.55 0.13 119.26 122.53 2ayz h ALA 841 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ayz h ALA 841 Cb 0.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ayz h ALA 841 CO 0.05 0.36 -0.04 0.22 0.00 0.00 0.00 179.25 179.84 2ayz h ASP 842 N 0.00 0.30 -0.78 0.00 1.82 -0.59 0.18 116.42 117.35 2ayz h ASP 842 Ca -0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 2ayz h ASP 842 Cb 0.83 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.72 2ayz h ASP 842 CO 0.04 0.60 0.49 1.56 -1.61 0.00 0.00 179.24 180.31 2ayz h GLN 843 N -0.00 1.04 -0.69 0.28 7.50 -1.13 -1.79 115.11 120.33 2ayz h GLN 843 Ca 0.04 -0.08 -0.00 0.00 0.50 0.00 0.00 58.65 59.11 2ayz h GLN 843 Cb 0.47 -0.23 -0.03 0.00 0.05 0.00 0.00 27.48 27.74 2ayz h GLN 843 CO 0.02 0.72 0.42 1.25 -1.50 0.00 0.00 178.83 179.74 2ayz h LEU 844 N 1.06 0.81 -1.56 1.46 7.12 -0.66 -0.58 115.31 122.96 2ayz h LEU 844 Ca 0.28 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.22 2ayz h LEU 844 Cb -0.07 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 39.85 2ayz h LEU 844 CO -0.06 0.61 -0.12 1.23 -0.13 0.00 0.00 178.44 179.98 2ayz h GLY 845 N 0.96 0.14 2.00 3.75 0.00 -0.13 -0.77 103.07 109.03 2ayz h GLY 845 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2ayz h GLY 845 CO -0.05 0.07 0.00 1.76 0.00 0.00 0.00 176.54 178.33 2ayz h SER 846 N 0.13 0.00 0.20 0.19 0.02 -0.52 -3.21 113.55 110.36 2ayz h SER 846 Ca 0.03 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.69 2ayz h SER 846 Cb 0.30 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.87 2ayz h SER 846 CO 0.02 0.00 -1.24 -0.07 -1.14 0.00 0.00 176.83 174.40 2ayz h LEU 847 N 0.00 0.75 -0.09 5.07 3.38 -0.09 -3.49 115.31 120.84 2ayz h LEU 847 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2ayz h LEU 847 Cb 0.80 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2ayz h LEU 847 CO 0.00 1.60 0.00 0.61 0.09 0.00 0.00 178.44 180.74 2ayz n GLY 848 N 1.63 1.33 3.34 0.83 0.00 -0.49 -5.10 105.19 106.72 2ayz n GLY 848 Ca -0.15 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.09 1.93 0.08 1.61 2.02 -1.22 -4.74 117.35 114.94 2ayz s TYR 849 Ca 0.00 -0.43 -0.31 0.00 -0.37 0.00 0.00 57.07 55.97 2ayz s TYR 849 Cb 0.00 -1.00 -0.08 0.00 -0.40 0.00 0.00 41.96 40.48 2ayz s TYR 849 CO 0.00 0.32 1.55 -0.65 -1.57 0.00 0.00 175.55 175.21 2ayz s GLN 850 N -2.44 4.23 -0.29 -0.62 -1.52 -0.84 -4.70 119.66 113.48 2ayz s GLN 850 Ca 0.14 2.23 -0.03 0.00 -1.95 0.00 0.00 55.36 55.75 2ayz s GLN 850 Cb -0.08 -3.47 0.04 0.00 -0.22 0.00 0.00 33.01 29.28 2ayz s GLN 850 CO 0.06 -0.64 0.00 0.00 -0.25 0.00 0.00 175.29 174.47 2ayz s LYS 852 N 1.31 3.98 0.09 0.00 3.01 -0.39 -4.92 119.74 122.81 2ayz s LYS 852 Ca -0.03 -0.20 -0.20 0.00 -1.01 0.00 0.00 55.97 54.54 2ayz s LYS 852 Cb -0.19 -3.65 -0.07 0.00 -1.01 0.00 0.00 37.83 32.91 2ayz s LYS 852 CO -0.01 -0.20 0.60 0.95 0.51 0.00 0.00 175.35 177.19 2ayz s THR 853 N 1.83 4.69 0.28 2.17 -4.23 -1.26 -0.74 115.64 118.39 2ayz s THR 853 Ca 0.10 1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 61.71 2ayz s THR 853 Cb -0.16 -3.93 0.02 0.00 1.34 0.00 0.00 72.50 69.77 2ayz s THR 853 CO 0.10 0.55 0.65 0.00 -0.54 0.00 0.00 174.62 175.38 2ayz s ALA 854 N -1.12 -0.82 -0.47 3.99 0.00 -0.33 -4.96 121.76 118.05 2ayz s ALA 854 Ca 0.30 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2ayz s ALA 854 Cb -0.20 0.91 0.22 0.00 0.00 0.00 0.00 23.12 24.06 2ayz s ALA 854 CO 0.20 -0.97 0.74 0.27 0.00 0.00 0.00 175.76 176.00 2ayz n ASN 855 N -0.55 -2.29 0.00 0.00 6.94 -1.26 -1.33 115.26 116.77 2ayz n ASN 855 Ca -0.04 -3.03 0.00 0.00 -0.02 0.00 0.00 54.58 51.49 2ayz n ASN 855 Cb 0.60 1.18 0.00 0.00 -2.36 0.00 0.00 39.78 39.20 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayz n ASP 856 N 2.00 0.00 0.14 0.53 2.03 -1.26 -4.76 116.55 115.22 2ayz n ASP 856 Ca 0.15 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.32 2ayz n ASP 856 Cb 0.58 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 2ayz n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayz h GLY 857 N 0.00 -0.31 2.00 0.27 0.00 -1.96 -2.13 103.07 100.93 2ayz h GLY 857 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 2ayz h GLY 857 CO 0.00 -0.11 -0.68 -0.39 0.00 0.00 0.00 176.54 175.36 2ayz h VAL 858 N -0.44 1.46 -0.50 4.60 -1.51 -1.96 -2.82 116.25 115.08 2ayz h VAL 858 Ca -0.03 -2.36 0.07 0.00 -1.23 0.00 0.00 66.70 63.15 2ayz h VAL 858 Cb 0.33 2.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.75 2ayz h VAL 858 CO 0.05 0.67 0.33 -0.78 -1.23 0.00 0.00 177.57 176.61 2ayz h ASP 859 N 0.00 0.35 -0.72 4.19 3.58 -1.88 0.16 116.42 122.10 2ayz h ASP 859 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2ayz h ASP 859 Cb 1.23 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 2ayz h ASP 859 CO 0.09 0.22 0.36 0.00 -2.88 0.00 0.00 179.24 177.03 2ayz h ALA 860 N 1.74 1.24 -0.06 -0.78 0.00 -1.11 -0.17 119.26 120.11 2ayz h ALA 860 Ca 0.22 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2ayz h ALA 860 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2ayz h ALA 860 CO -0.06 0.59 -0.67 -0.07 0.00 0.00 0.00 179.25 179.04 2ayz h LEU 861 N 1.05 0.33 0.05 0.00 -0.00 -1.12 -0.92 115.31 114.69 2ayz h LEU 861 Ca 0.26 -0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2ayz h LEU 861 Cb 0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2ayz h LEU 861 CO -0.03 0.90 -0.02 -1.13 -0.00 0.00 0.00 178.44 178.15 2ayz h ASN 862 N 0.20 -0.06 0.21 -0.43 -1.24 -0.35 -0.18 115.58 113.73 2ayz h ASN 862 Ca -0.02 -0.17 -0.10 0.00 0.71 0.00 0.00 56.30 56.72 2ayz h ASN 862 Cb 1.21 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 2ayz h ASN 862 CO 0.11 0.14 -0.39 1.62 -1.29 0.00 0.00 177.43 177.61 2ayz h VAL 863 N -0.25 1.30 -0.91 2.57 3.04 -1.08 -2.38 116.25 118.54 2ayz h VAL 863 Ca -0.01 -1.47 0.03 0.00 -1.01 0.00 0.00 66.70 64.24 2ayz h VAL 863 Cb 0.22 1.65 -0.05 0.00 -2.01 0.00 0.00 31.29 31.10 2ayz h VAL 863 CO 0.01 0.44 0.60 0.25 -1.01 0.00 0.00 177.57 177.86 2ayz h LEU 864 N 0.21 1.00 -0.84 3.16 7.12 -0.88 0.12 115.31 125.19 2ayz h LEU 864 Ca 0.02 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.94 2ayz h LEU 864 Cb 0.79 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 2ayz h LEU 864 CO 0.06 0.69 -0.02 0.28 -0.13 0.00 0.00 178.44 179.33 2ayz h SER 865 N 1.16 0.82 -0.11 1.25 0.02 -0.52 -3.05 113.55 113.12 2ayz h SER 865 Ca 0.36 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 2ayz h SER 865 Cb -0.01 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.32 2ayz h SER 865 CO -0.10 0.89 -0.70 0.11 -1.14 0.00 0.00 176.83 175.89 2ayz h LYS 866 N 0.78 0.67 -2.79 3.45 1.57 -1.08 -3.44 116.57 115.73 2ayz h LYS 866 Ca 0.15 -0.57 -0.22 0.00 -1.87 0.00 0.00 60.65 58.14 2ayz h LYS 866 Cb 0.49 0.13 -0.33 0.00 0.08 0.00 0.00 32.23 32.60 2ayz h LYS 866 CO 0.02 1.19 -0.53 1.21 -0.57 0.00 0.00 179.45 180.77 2ayz s ASN 867 N -6.95 0.43 0.50 0.86 2.47 0.35 -5.12 114.94 107.48 2ayz s ASN 867 Ca -0.11 0.52 -0.23 0.00 0.42 0.00 0.00 52.86 53.45 2ayz s ASN 867 Cb 0.07 0.70 -0.06 0.00 -1.45 0.00 0.00 41.25 40.51 2ayz s ASN 867 CO 0.88 -0.25 1.36 -1.38 -3.72 0.00 0.00 177.10 173.99 2ayz s HIS 868 N 2.42 2.42 0.10 0.43 -3.43 -1.20 -4.08 115.29 111.95 2ayz s HIS 868 Ca 0.02 1.35 0.04 0.00 -0.80 0.00 0.00 55.06 55.67 2ayz s HIS 868 Cb -0.12 -3.80 -0.04 0.00 -1.43 0.00 0.00 32.58 27.19 2ayz s HIS 868 CO -0.09 -2.76 -0.11 0.42 -2.00 0.00 0.00 174.74 170.21 2ayz s ILE 869 N -1.28 0.98 -0.08 -5.38 1.09 -1.26 -4.97 121.20 110.29 2ayz s ILE 869 Ca 0.66 -1.62 -0.03 0.00 -1.10 0.00 0.00 60.65 58.56 2ayz s ILE 869 Cb -0.40 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 39.63 2ayz s ILE 869 CO 0.50 -0.53 0.12 -0.78 -0.10 0.00 0.00 174.94 174.15 2ayz h ASP 870 N 3.60 -0.09 -3.61 3.58 3.58 -1.43 -3.46 116.42 118.60 2ayz h ASP 870 Ca -0.38 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.41 2ayz h ASP 870 Cb 1.19 0.02 -0.32 0.00 1.72 0.00 0.00 39.33 41.94 2ayz h ASP 870 CO 0.52 0.37 -0.87 -0.63 -2.88 0.00 0.00 179.24 175.74 2ayz s ILE 871 N -1.86 1.95 -0.09 2.25 1.01 -1.22 -4.46 121.20 118.78 2ayz s ILE 871 Ca -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2ayz s ILE 871 Cb 0.00 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2ayz s ILE 871 CO 0.04 0.54 -0.02 -0.69 0.00 0.00 0.00 174.94 174.81 2ayz s VAL 872 N 0.17 4.08 -0.26 2.92 1.01 -1.10 -1.49 120.40 125.73 2ayz s VAL 872 Ca -0.13 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2ayz s VAL 872 Cb -0.16 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.58 2ayz s VAL 872 CO 0.06 0.58 -0.01 -1.48 0.00 0.00 0.00 175.10 174.26 2ayz s LEU 873 N -0.64 2.80 -0.63 3.92 2.34 -0.82 -0.47 118.68 125.18 2ayz s LEU 873 Ca 0.10 -1.39 -0.20 0.00 0.06 0.00 0.00 54.13 52.70 2ayz s LEU 873 Cb -0.12 -1.18 0.09 0.00 -0.56 0.00 0.00 46.19 44.43 2ayz s LEU 873 CO 0.02 -0.29 0.83 -0.94 -1.06 0.00 0.00 176.35 174.92 2ayz s SER 874 N 1.37 6.20 -0.52 1.48 1.04 -0.04 -2.24 113.70 120.99 2ayz s SER 874 Ca -0.01 -1.27 -0.23 0.00 0.48 0.00 0.00 55.95 54.92 2ayz s SER 874 Cb -0.19 -2.36 0.04 0.00 0.10 0.00 0.00 66.02 63.62 2ayz s SER 874 CO -0.10 -1.26 0.88 -0.62 0.98 0.00 0.00 173.24 173.13 2ayz s ASP 875 N 3.65 6.35 -0.18 7.02 -1.08 0.51 -1.50 116.67 131.43 2ayz s ASP 875 Ca 0.17 -0.35 -0.00 0.00 -0.52 0.00 0.00 52.55 51.85 2ayz s ASP 875 Cb -0.20 -2.41 0.04 0.00 -1.46 0.00 0.00 42.92 38.89 2ayz s ASP 875 CO 0.07 -1.12 -0.07 0.68 0.52 0.00 0.00 175.17 175.25 2ayz s VAL 876 N 3.67 1.30 -0.99 1.11 -7.23 0.15 -1.49 120.40 116.92 2ayz s VAL 876 Ca 0.29 -0.75 0.15 0.00 -1.81 0.00 0.00 61.98 59.86 2ayz s VAL 876 Cb -0.13 -1.43 0.48 0.00 0.56 0.00 0.00 36.38 35.86 2ayz s VAL 876 CO 0.19 0.15 1.40 -3.20 -0.31 0.00 0.00 175.10 173.34 2ayz n ASN 877 N 4.81 3.63 -4.61 4.85 5.15 -1.26 -3.39 115.26 124.44 2ayz n ASN 877 Ca -0.13 -2.27 -0.43 0.00 -0.60 0.00 0.00 54.58 51.15 2ayz n ASN 877 Cb 0.47 -0.40 -0.02 0.00 -0.53 0.00 0.00 39.78 39.31 2ayz n ASN 877 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2ayz s MET 878 N -1.50 3.69 0.00 1.20 1.75 -1.26 -4.88 119.30 118.30 2ayz s MET 878 Ca 0.36 0.82 0.31 0.00 -1.25 0.00 0.00 55.69 55.93 2ayz s MET 878 Cb 0.22 -3.95 1.68 0.00 2.84 0.00 0.00 34.83 35.63 2ayz s MET 878 CO 0.19 -1.42 2.11 -0.35 -0.65 0.00 0.00 175.02 174.90 2ayz n PRO 879 N 7.85 1.08 -3.27 4.11 -0.04 -1.26 -4.45 135.00 139.01 2ayz n PRO 879 Ca 0.14 -0.20 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 2ayz n PRO 879 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 2ayz n PRO 879 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ayz s ASN 880 N -2.06 6.41 0.00 3.54 2.47 -1.26 -4.23 114.94 119.81 2ayz s ASN 880 Ca 0.44 0.49 0.00 0.00 0.42 0.00 0.00 52.86 54.21 2ayz s ASN 880 Cb 0.22 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 2ayz s ASN 880 CO 0.37 -0.25 0.00 0.80 -3.72 0.00 0.00 177.10 174.31 2ayz n MET 881 N 5.37 -0.31 -0.95 0.43 1.56 -1.26 -4.85 117.12 117.11 2ayz n MET 881 Ca -0.05 0.08 0.13 0.00 -0.27 0.00 0.00 57.70 57.58 2ayz n MET 881 Cb 0.50 -3.48 -0.03 0.00 2.15 0.00 0.00 33.22 32.36 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 -0.15 -5.93 0.10 6.12 -0.08 -1.26 -4.36 116.55 110.97 2ayz n ASP 882 Ca 0.00 1.02 -0.16 0.00 -1.51 0.00 0.00 54.79 54.14 2ayz n ASP 882 Cb 0.08 -2.86 -0.11 0.00 2.34 0.00 0.00 41.12 40.57 2ayz n ASP 882 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ayz h GLY 883 N -0.88 0.42 0.00 0.27 0.00 -1.88 -3.45 103.07 97.55 2ayz h GLY 883 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2ayz h GLY 883 CO 0.01 0.81 0.00 2.98 0.00 0.00 0.00 176.54 180.34 2ayz n TYR 884 N -3.64 0.00 0.27 5.60 4.19 -1.26 -1.12 117.16 121.20 2ayz n TYR 884 Ca -0.09 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.25 2ayz n TYR 884 Cb 0.96 0.00 0.77 0.00 0.49 0.00 0.00 39.34 41.56 2ayz n TYR 884 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2ayz h ARG 885 N 0.00 0.00 0.00 2.98 1.12 -1.86 -0.48 114.38 116.14 2ayz h ARG 885 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.81 2ayz h ARG 885 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2ayz h ARG 885 CO 0.00 0.08 -0.28 -0.07 -3.11 0.00 0.00 179.97 176.59 2ayz h LEU 886 N 0.00 0.00 -0.34 3.80 3.38 -1.46 0.11 115.31 120.81 2ayz h LEU 886 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2ayz h LEU 886 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ayz h LEU 886 CO 0.01 0.28 -0.36 0.74 0.09 0.00 0.00 178.44 179.21 2ayz h THR 887 N 0.00 1.28 -0.57 0.22 2.02 -0.96 -2.62 112.91 112.29 2ayz h THR 887 Ca -0.00 -1.53 0.05 0.00 0.77 0.00 0.00 66.41 65.70 2ayz h THR 887 Cb 0.50 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 2ayz h THR 887 CO 0.04 0.50 0.30 -0.61 0.37 0.00 0.00 175.52 176.12 2ayz h GLN 888 N 0.62 0.56 -0.80 6.66 5.75 -0.98 -2.09 115.11 124.82 2ayz h GLN 888 Ca 0.05 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2ayz h GLN 888 Cb 0.94 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.32 2ayz h GLN 888 CO 0.09 0.37 0.52 -0.09 -2.65 0.00 0.00 178.83 177.07 2ayz h ARG 889 N 0.57 0.87 -0.33 1.69 9.65 -0.65 0.01 114.38 126.19 2ayz h ARG 889 Ca 0.25 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.11 2ayz h ARG 889 Cb 0.15 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2ayz h ARG 889 CO -0.17 0.57 0.13 0.82 2.80 0.00 0.00 179.97 184.13 2ayz h ILE 890 N 0.89 0.93 -0.00 1.20 2.04 -1.02 0.86 117.51 122.42 2ayz h ILE 890 Ca 0.34 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 66.02 2ayz h ILE 890 Cb 0.20 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2ayz h ILE 890 CO -0.12 0.05 -0.41 0.08 0.00 0.00 0.00 178.15 177.75 2ayz h ARG 891 N 0.29 0.00 -0.05 2.37 0.11 -0.90 -2.13 114.38 114.07 2ayz h ARG 891 Ca 0.15 -0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.00 2ayz h ARG 891 Cb 0.10 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.19 2ayz h ARG 891 CO -0.13 0.41 -0.89 1.96 0.10 0.00 0.00 179.97 181.42 2ayz h GLN 892 N 0.00 0.55 0.00 0.08 4.20 -0.49 -2.95 115.11 116.51 2ayz h GLN 892 Ca -0.00 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2ayz h GLN 892 Cb 0.73 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2ayz h GLN 892 CO 0.05 1.16 0.00 -0.11 -0.67 0.00 0.00 178.83 179.26 2ayz n LEU 893 N -3.83 0.00 -0.35 1.46 7.94 0.25 -4.89 117.00 117.58 2ayz n LEU 893 Ca -0.07 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2ayz n LEU 893 Cb 0.80 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2ayz n LEU 893 CO 0.52 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 2ayz n GLY 894 N 0.78 0.83 3.53 -3.96 0.00 -1.04 -5.01 105.19 100.31 2ayz n GLY 894 Ca 0.14 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2ayz n GLY 894 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ayz s LEU 895 N -0.70 4.39 0.00 0.99 1.02 -0.83 -4.85 118.68 118.70 2ayz s LEU 895 Ca 0.00 -0.21 0.23 0.00 0.02 0.00 0.00 54.13 54.17 2ayz s LEU 895 Cb 0.00 -2.82 0.04 0.00 0.02 0.00 0.00 46.19 43.43 2ayz s LEU 895 CO 0.00 -0.82 1.13 1.07 0.02 0.00 0.00 176.35 177.75 2ayz n THR 896 N 5.94 0.00 -2.45 5.49 5.66 -1.26 -4.68 114.28 122.98 2ayz n THR 896 Ca -0.00 -0.31 -0.33 0.00 -3.05 0.00 0.00 64.05 60.36 2ayz n THR 896 Cb 0.48 1.30 -0.03 0.00 -1.55 0.00 0.00 70.33 70.53 2ayz n THR 896 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2ayz s LEU 897 N -2.38 3.76 0.01 1.09 2.34 -1.26 -4.94 118.68 117.29 2ayz s LEU 897 Ca 0.20 1.85 -0.31 0.00 0.06 0.00 0.00 54.13 55.94 2ayz s LEU 897 Cb 0.18 -4.55 -0.09 0.00 -0.56 0.00 0.00 46.19 41.17 2ayz s LEU 897 CO 0.52 -0.81 1.97 -2.65 -1.06 0.00 0.00 176.35 174.32 2ayz n PRO 898 N -1.23 2.72 -3.63 1.48 -0.02 -1.26 -4.93 135.00 128.13 2ayz n PRO 898 Ca 0.09 0.99 -0.40 0.00 -2.02 0.00 0.00 63.50 62.16 2ayz n PRO 898 Cb 0.53 -2.96 -0.11 0.00 -0.02 0.00 0.00 33.50 30.94 2ayz n PRO 898 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ayz s VAL 899 N 4.57 4.33 -0.38 -1.45 1.01 -1.10 -2.69 120.40 124.68 2ayz s VAL 899 Ca 0.90 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 2ayz s VAL 899 Cb -0.47 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2ayz s VAL 899 CO 0.44 -0.28 0.91 -0.63 0.00 0.00 0.00 175.10 175.54 2ayz s ILE 900 N 1.49 4.58 -0.88 2.22 1.01 0.38 -0.93 121.20 129.07 2ayz s ILE 900 Ca 0.01 1.09 -0.19 0.00 0.00 0.00 0.00 60.65 61.56 2ayz s ILE 900 Cb -0.20 -4.33 0.12 0.00 0.01 0.00 0.00 42.46 38.05 2ayz s ILE 900 CO 0.05 -0.57 1.10 -0.83 0.00 0.00 0.00 174.94 174.70 2ayz s GLY 901 N 1.93 1.82 -0.75 6.18 0.00 -0.02 -0.86 107.32 115.61 2ayz s GLY 901 Ca 0.37 -2.60 -0.24 0.00 0.00 0.00 0.00 44.72 42.25 2ayz s GLY 901 CO 0.20 2.03 1.17 0.14 0.00 0.00 0.00 173.10 176.64 2ayz s VAL 902 N 2.98 4.03 0.25 1.40 1.01 -0.57 -0.74 120.40 128.77 2ayz s VAL 902 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2ayz s VAL 902 Cb -0.07 -4.84 -0.00 0.00 0.00 0.00 0.00 36.38 31.47 2ayz s VAL 902 CO -0.06 -1.70 0.01 0.35 0.00 0.00 0.00 175.10 173.70 2ayz n THR 903 N 6.21 0.00 -4.12 3.92 -2.24 -0.05 -0.67 114.28 117.33 2ayz n THR 903 Ca 0.05 -1.19 -0.08 0.00 -2.27 0.00 0.00 64.05 60.56 2ayz n THR 903 Cb 0.48 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 2ayz n THR 903 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ayz s ALA 904 N -2.45 0.67 -0.60 6.98 0.00 -1.22 -1.65 121.76 123.49 2ayz s ALA 904 Ca 0.01 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 2ayz s ALA 904 Cb 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 2ayz s ALA 904 CO 0.01 -0.33 2.48 -1.71 0.00 0.00 0.00 175.76 176.21 2ayz n ASN 905 N 0.06 1.86 -3.56 0.00 2.85 -1.26 -4.85 115.26 110.36 2ayz n ASN 905 Ca -0.13 -0.34 -0.29 0.00 -0.11 0.00 0.00 54.58 53.71 2ayz n ASN 905 Cb 0.61 -1.43 -0.12 0.00 1.24 0.00 0.00 39.78 40.08 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayz s ALA 906 N 11.44 1.72 0.00 5.20 0.00 -1.26 -5.01 121.76 133.85 2ayz s ALA 906 Ca 1.07 -2.45 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2ayz s ALA 906 Cb -0.43 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2ayz s ALA 906 CO 0.32 -2.06 0.00 -0.11 0.00 0.00 0.00 175.76 173.91 2ayz n LEU 907 N 3.35 0.00 -2.72 0.00 0.00 -1.26 -3.70 117.00 112.67 2ayz n LEU 907 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 56.12 2ayz n LEU 907 Cb 0.39 0.00 0.05 0.00 0.00 0.00 0.00 43.42 43.86 2ayz n LEU 907 CO 0.17 0.00 0.34 0.00 0.00 0.00 0.00 177.39 177.90 2ayz n ALA 908 N 2.65 -2.36 0.17 1.96 0.00 -1.26 -5.02 120.51 116.65 2ayz n ALA 908 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 53.44 52.63 2ayz n ALA 908 Cb 0.00 -2.13 0.58 0.00 0.00 0.00 0.00 19.45 17.91 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 3.86 0.15 -0.93 0.00 3.07 -1.89 -0.24 114.58 118.59 2ayz h GLU 909 Ca -0.14 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2ayz h GLU 909 Cb 1.11 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.94 2ayz h GLU 909 CO 0.09 0.10 0.61 1.49 -1.40 0.00 0.00 179.01 179.89 2ayz h GLU 910 N 0.15 1.24 -0.50 2.33 4.57 -1.95 0.10 114.58 120.52 2ayz h GLU 910 Ca 0.06 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 2ayz h GLU 910 Cb 0.04 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 2ayz h GLU 910 CO -0.01 0.83 -0.12 -0.22 -1.18 0.00 0.00 179.01 178.31 2ayz h LYS 911 N 1.27 0.94 -0.08 1.92 3.64 -1.47 -1.76 116.57 121.03 2ayz h LYS 911 Ca 0.34 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2ayz h LYS 911 Cb -0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2ayz h LYS 911 CO -0.07 1.00 -0.47 1.96 -2.27 0.00 0.00 179.45 179.60 2ayz h GLN 912 N 0.84 0.19 -0.10 1.90 7.50 -1.03 -0.52 115.11 123.90 2ayz h GLN 912 Ca 0.13 -0.10 -0.05 0.00 0.50 0.00 0.00 58.65 59.14 2ayz h GLN 912 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 2ayz h GLN 912 CO 0.05 0.63 -0.15 -0.09 -1.50 0.00 0.00 178.83 177.76 2ayz h ARG 913 N 0.16 0.15 0.02 1.46 2.43 -0.38 0.26 114.38 118.49 2ayz h ARG 913 Ca 0.01 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 2ayz h ARG 913 Cb 0.90 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2ayz h ARG 913 CO 0.07 0.31 -0.67 0.00 -1.51 0.00 0.00 179.97 178.17 2ayz h LEU 915 N -0.11 -0.15 -0.22 0.00 -0.00 -0.90 -3.25 115.31 110.68 2ayz h LEU 915 Ca -0.09 -0.37 -0.06 0.00 -0.00 0.00 0.00 57.88 57.35 2ayz h LEU 915 Cb 1.40 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 2ayz h LEU 915 CO 0.13 0.34 -0.29 -0.33 -0.00 0.00 0.00 178.44 178.30 2ayz h GLU 916 N -0.69 0.00 -6.12 1.13 4.39 -1.12 -3.49 114.58 108.69 2ayz h GLU 916 Ca -0.02 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.27 2ayz h GLU 916 Cb 0.51 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.23 2ayz h GLU 916 CO 0.03 0.29 -0.88 0.43 -1.16 0.00 0.00 179.01 177.72 2ayz n SER 917 N -3.21 -3.03 -0.90 1.42 7.64 -0.36 -3.37 113.62 111.82 2ayz n SER 917 Ca 0.02 -0.90 0.04 0.00 1.01 0.00 0.00 58.87 59.05 2ayz n SER 917 Cb 0.61 -3.83 0.08 0.00 -1.01 0.00 0.00 64.21 60.06 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 -1.63 2.41 0.00 0.23 0.00 -1.18 -4.53 105.19 100.49 2ayz n GLY 918 Ca -0.21 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2ayz n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayz n MET 919 N -0.24 0.00 0.00 1.61 2.81 -1.26 -4.70 117.12 115.33 2ayz n MET 919 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2ayz n MET 919 Cb 0.88 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.39 2ayz n MET 919 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayz n ASP 920 N 0.00 0.00 -4.18 7.83 2.03 -0.11 -2.72 116.55 119.40 2ayz n ASP 920 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2ayz n ASP 920 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 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 2.06 -0.11 1.67 1.04 -1.07 -4.98 113.70 112.30 2ayz s SER 921 Ca 0.00 -1.53 -0.04 0.00 0.48 0.00 0.00 55.95 54.86 2ayz s SER 921 Cb 0.00 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.46 2ayz s SER 921 CO 0.00 -0.81 0.23 0.00 0.98 0.00 0.00 173.24 173.64 2ayz n LEU 923 N 5.27 0.00 -4.88 0.00 4.77 0.09 -4.95 117.00 117.30 2ayz n LEU 923 Ca -0.07 -1.60 -0.35 0.00 -0.03 0.00 0.00 56.01 53.95 2ayz n LEU 923 Cb 0.50 0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.91 2ayz n LEU 923 CO 0.04 -0.24 -0.06 -0.94 -1.33 0.00 0.00 177.39 174.86 2ayz s SER 924 N -2.34 6.50 0.27 -1.43 1.04 -1.26 -0.87 113.70 115.61 2ayz s SER 924 Ca 0.06 0.58 -0.01 0.00 0.48 0.00 0.00 55.95 57.06 2ayz s SER 924 Cb 0.00 -2.10 0.58 0.00 0.10 0.00 0.00 66.02 64.60 2ayz s SER 924 CO 0.04 0.29 1.69 0.50 0.98 0.00 0.00 173.24 176.73 2ayz h LYS 925 N 4.23 0.31 -3.86 4.02 3.64 -1.54 -3.04 116.57 120.33 2ayz h LYS 925 Ca -0.51 -0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.36 2ayz h LYS 925 Cb 1.20 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2ayz h LYS 925 CO 0.64 0.20 2.50 -0.35 -2.27 0.00 0.00 179.45 180.17 2ayz n PRO 926 N -5.12 1.87 -2.28 1.90 -0.04 -1.26 -4.85 135.00 125.22 2ayz n PRO 926 Ca 0.18 -1.63 -0.34 0.00 -0.04 0.00 0.00 63.50 61.67 2ayz n PRO 926 Cb 0.55 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 2ayz n PRO 926 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayz s VAL 927 N 4.03 3.73 0.96 0.52 1.01 -1.15 -4.97 120.40 124.53 2ayz s VAL 927 Ca 0.46 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2ayz s VAL 927 Cb 0.12 -4.67 0.17 0.00 0.00 0.00 0.00 36.38 32.00 2ayz s VAL 927 CO 0.02 -1.41 1.10 0.42 0.00 0.00 0.00 175.10 175.24 2ayz s THR 928 N 8.03 2.15 0.32 3.92 -4.23 -1.26 -4.66 115.64 119.91 2ayz s THR 928 Ca 0.61 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.22 2ayz s THR 928 Cb -0.01 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.53 2ayz s THR 928 CO 0.04 -0.06 1.85 0.25 -0.54 0.00 0.00 174.62 176.16 2ayz h LEU 929 N -1.75 0.78 0.86 4.79 7.12 -1.97 1.00 115.31 126.14 2ayz h LEU 929 Ca -0.53 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.48 2ayz h LEU 929 Cb 1.32 -0.11 0.01 0.00 -0.53 0.00 0.00 40.66 41.35 2ayz h LEU 929 CO 0.58 0.40 -0.42 -0.78 -0.13 0.00 0.00 178.44 178.09 2ayz h ASP 930 N 0.83 -1.00 0.55 1.25 3.58 -1.99 -0.87 116.42 118.77 2ayz h ASP 930 Ca 0.47 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.85 2ayz h ASP 930 Cb 0.62 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2ayz h ASP 930 CO -0.24 -0.71 -0.50 1.62 -2.88 0.00 0.00 179.24 176.54 2ayz h VAL 931 N -1.17 1.31 -0.24 2.25 3.04 -1.86 -2.72 116.25 116.86 2ayz h VAL 931 Ca -0.12 -1.74 -0.13 0.00 -1.01 0.00 0.00 66.70 63.71 2ayz h VAL 931 Cb 0.90 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 2ayz h VAL 931 CO 0.19 0.49 -0.38 -0.29 -1.01 0.00 0.00 177.57 176.57 2ayz h ILE 932 N 0.00 1.30 -0.42 3.17 2.10 -0.78 -2.33 117.51 120.54 2ayz h ILE 932 Ca -0.00 -1.52 -0.14 0.00 1.08 0.00 0.00 64.86 64.27 2ayz h ILE 932 Cb 0.91 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 38.15 2ayz h ILE 932 CO 0.06 0.48 -0.30 0.11 -1.08 0.00 0.00 178.15 177.42 2ayz h LYS 933 N 0.45 0.95 0.60 2.19 1.79 -0.86 0.52 116.57 122.20 2ayz h LYS 933 Ca 0.04 -0.46 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 2ayz h LYS 933 Cb 0.86 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2ayz h LYS 933 CO 0.07 1.12 -0.37 1.96 -1.08 0.00 0.00 179.45 181.15 2ayz h GLN 934 N 0.78 -0.88 -0.68 3.15 4.20 -1.37 -0.38 115.11 119.93 2ayz h GLN 934 Ca 0.08 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2ayz h GLN 934 Cb 0.89 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 2ayz h GLN 934 CO 0.08 -0.59 0.27 1.15 -0.67 0.00 0.00 178.83 179.07 2ayz h THR 935 N -0.91 1.24 -0.22 -0.54 2.02 -1.40 -1.02 112.91 112.08 2ayz h THR 935 Ca -0.07 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 2ayz h THR 935 Cb 0.74 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2ayz h THR 935 CO 0.07 0.30 0.00 -0.07 0.37 0.00 0.00 175.52 176.20 2ayz h LEU 936 N 0.96 0.37 -0.44 2.58 -0.00 -0.83 -0.18 115.31 117.77 2ayz h LEU 936 Ca 0.22 -0.30 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2ayz h LEU 936 Cb 0.21 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2ayz h LEU 936 CO -0.02 0.59 -0.04 0.74 -0.00 0.00 0.00 178.44 179.71 2ayz h THR 937 N 0.15 1.27 -0.79 0.22 2.02 -1.00 0.99 112.91 115.77 2ayz h THR 937 Ca 0.06 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.11 2ayz h THR 937 Cb 0.39 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 2ayz h THR 937 CO 0.01 0.38 0.36 0.25 0.37 0.00 0.00 175.52 176.89 2ayz h LEU 938 N 0.63 1.05 -0.13 2.58 5.85 -1.12 -0.85 115.31 123.33 2ayz h LEU 938 Ca 0.12 -0.14 -0.24 0.00 0.84 0.00 0.00 57.88 58.46 2ayz h LEU 938 Cb 0.55 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.32 2ayz h LEU 938 CO 0.03 0.90 -0.93 1.88 -0.34 0.00 0.00 178.44 179.98 2ayz h TYR 939 N 1.12 0.86 -0.16 1.25 -1.99 -0.86 -2.54 116.97 114.65 2ayz h TYR 939 Ca 0.27 -0.44 -0.04 0.00 2.00 0.00 0.00 58.73 60.52 2ayz h TYR 939 Cb 0.14 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2ayz h TYR 939 CO 0.01 1.27 -0.08 0.00 -0.00 0.00 0.00 178.16 179.36 2ayz h ALA 940 N 0.59 1.58 -0.26 3.88 0.00 -0.66 -1.31 119.26 123.09 2ayz h ALA 940 Ca -0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2ayz h ALA 940 Cb 1.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2ayz h ALA 940 CO 0.18 0.31 -0.10 1.49 0.00 0.00 0.00 179.25 181.13 2ayz h GLU 941 N 0.23 0.53 -0.10 0.00 4.57 -0.98 -1.54 114.58 117.29 2ayz h GLU 941 Ca 0.05 -0.22 -0.18 0.00 -1.18 0.00 0.00 59.36 57.83 2ayz h GLU 941 Cb 0.29 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2ayz h GLU 941 CO 0.01 0.76 -0.70 0.07 -1.18 0.00 0.00 179.01 177.98 2ayz h ARG 942 N 0.27 0.46 -0.01 1.92 0.11 -1.07 0.43 114.38 116.49 2ayz h ARG 942 Ca 0.06 -0.35 -0.13 0.00 0.10 0.00 0.00 59.98 59.66 2ayz h ARG 942 Cb 0.59 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.72 2ayz h ARG 942 CO 0.03 0.98 -0.61 -0.39 0.10 0.00 0.00 179.97 180.08 2ayz h VAL 943 N 0.32 1.44 0.00 0.08 -1.51 -1.29 -0.34 116.25 114.95 2ayz h VAL 943 Ca -0.02 -2.10 -0.11 0.00 -1.23 0.00 0.00 66.70 63.24 2ayz h VAL 943 Cb 1.27 2.13 -0.02 0.00 -2.13 0.00 0.00 31.29 32.54 2ayz h VAL 943 CO 0.12 0.60 -0.52 0.03 -1.23 0.00 0.00 177.57 176.58 2ayz h ARG 944 N 0.02 0.00 -0.09 5.19 3.08 -1.04 -0.04 114.38 121.51 2ayz h ARG 944 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2ayz h ARG 944 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2ayz h ARG 944 CO 0.08 0.52 -0.18 0.87 -1.07 0.00 0.00 179.97 180.18 2ayz h LYS 945 N 0.00 0.28 -0.51 0.04 1.79 -0.46 -0.03 116.57 117.69 2ayz h LYS 945 Ca -0.01 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 2ayz h LYS 945 Cb 1.16 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 2ayz h LYS 945 CO 0.07 0.78 0.13 0.77 -1.08 0.00 0.00 179.45 180.12 2ayz h SER 946 N -0.18 0.71 0.87 0.86 0.02 -1.05 -3.08 113.55 111.70 2ayz h SER 946 Ca 0.00 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2ayz h SER 946 Cb 0.77 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2ayz h SER 946 CO 0.04 0.69 -0.42 -0.09 -1.14 0.00 0.00 176.83 175.91 2ayz h ARG 947 N 0.74 -1.13 -5.31 3.45 2.43 -0.93 -3.49 114.38 110.14 2ayz h ARG 947 Ca 0.17 0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2ayz h ARG 947 Cb 0.26 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2ayz h ARG 947 CO -0.00 -0.75 -0.65 -3.47 -1.51 0.00 0.00 179.97 173.58 2ayz n ASP 948 N -5.58 -7.87 0.00 -3.80 2.03 -0.03 -5.08 116.55 96.22 2ayz n ASP 948 Ca -0.15 0.72 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2ayz n ASP 948 Cb 0.47 -5.20 0.00 0.00 -0.72 0.00 0.00 41.12 35.67 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08