#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayz h ALA 818 N 0.00 0.26 -3.29 7.82 0.00 -2.14 -3.43 119.26 118.47 2ayz h ALA 818 Ca 0.00 -1.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.04 2ayz h ALA 818 Cb 0.00 0.58 -0.37 0.00 0.00 0.00 0.00 17.79 18.00 2ayz h ALA 818 CO 0.00 0.95 -0.55 0.08 0.00 0.00 0.00 179.25 179.73 2ayz s VAL 819 N -2.49 3.09 -0.41 0.00 1.01 -1.26 -5.04 120.40 115.31 2ayz s VAL 819 Ca -0.22 -2.54 -0.02 0.00 0.00 0.00 0.00 61.98 59.21 2ayz s VAL 819 Cb 0.05 -3.12 0.11 0.00 0.00 0.00 0.00 36.38 33.43 2ayz s VAL 819 CO 0.75 -0.74 0.19 -0.44 0.00 0.00 0.00 175.10 174.86 2ayz s SER 820 N 1.03 5.19 0.53 3.32 0.01 -1.26 -5.09 113.70 117.43 2ayz s SER 820 Ca 0.12 -2.08 0.06 0.00 1.31 0.00 0.00 55.95 55.36 2ayz s SER 820 Cb -0.22 -1.80 0.05 0.00 0.21 0.00 0.00 66.02 64.26 2ayz s SER 820 CO -0.04 -0.52 0.72 1.51 0.41 0.00 0.00 173.24 175.33 2ayz s ASP 821 N 1.66 5.27 -0.01 2.44 -4.77 -1.26 -5.08 116.67 114.92 2ayz s ASP 821 Ca 0.09 -0.44 -0.04 0.00 -3.30 0.00 0.00 52.55 48.86 2ayz s ASP 821 Cb -0.22 -0.37 -0.02 0.00 -1.09 0.00 0.00 42.92 41.21 2ayz s ASP 821 CO -0.05 -1.13 -0.09 -3.20 0.70 0.00 0.00 175.17 171.40 2ayz n ASN 822 N -2.18 1.04 -3.77 2.11 4.05 -1.26 -5.04 115.26 110.22 2ayz n ASN 822 Ca 0.11 0.15 -0.23 0.00 0.45 0.00 0.00 54.58 55.07 2ayz n ASN 822 Cb 0.60 -0.36 0.02 0.00 1.23 0.00 0.00 39.78 41.26 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 -3.60 -1.07 -3.71 1.20 -0.08 -1.26 -4.96 116.55 103.07 2ayz n ASP 823 Ca -0.08 -0.88 -0.29 0.00 -1.51 0.00 0.00 54.79 52.04 2ayz n ASP 823 Cb 0.30 -3.77 -0.12 0.00 2.34 0.00 0.00 41.12 39.87 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ayz s ASP 824 N -4.34 3.55 0.05 1.67 2.15 -1.26 -5.01 116.67 113.48 2ayz s ASP 824 Ca 0.02 -3.10 -0.30 0.00 0.43 0.00 0.00 52.55 49.60 2ayz s ASP 824 Cb -0.01 -1.11 -0.05 0.00 -0.30 0.00 0.00 42.92 41.46 2ayz s ASP 824 CO 0.83 -0.19 1.09 -0.04 -0.17 0.00 0.00 175.17 176.70 2ayz s MET 825 N -0.27 4.51 -0.29 4.34 -1.94 -1.26 -4.88 119.30 119.51 2ayz s MET 825 Ca 0.23 1.61 -0.24 0.00 -1.71 0.00 0.00 55.69 55.58 2ayz s MET 825 Cb -0.13 -3.39 -0.00 0.00 2.01 0.00 0.00 34.83 33.32 2ayz s MET 825 CO -0.09 -0.13 0.80 -1.64 -0.01 0.00 0.00 175.02 173.95 2ayz s MET 826 N 0.90 4.02 -0.10 2.03 1.00 -1.26 -1.77 119.30 124.11 2ayz s MET 826 Ca 0.55 0.68 0.02 0.00 0.00 0.00 0.00 55.69 56.94 2ayz s MET 826 Cb -0.26 -3.71 -0.01 0.00 0.00 0.00 0.00 34.83 30.85 2ayz s MET 826 CO 0.29 -0.65 -0.18 0.42 0.00 0.00 0.00 175.02 174.90 2ayz s ILE 827 N 2.95 2.64 -0.43 2.53 -1.09 -0.23 -0.54 121.20 127.03 2ayz s ILE 827 Ca 0.33 -0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 57.74 2ayz s ILE 827 Cb -0.14 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.71 2ayz s ILE 827 CO 0.11 0.55 0.53 -0.76 -1.23 0.00 0.00 174.94 174.15 2ayz s LEU 828 N 0.13 4.70 -0.48 2.97 1.43 -0.63 -1.07 118.68 125.73 2ayz s LEU 828 Ca -0.09 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 2ayz s LEU 828 Cb -0.15 -2.55 0.06 0.00 0.03 0.00 0.00 46.19 43.58 2ayz s LEU 828 CO 0.06 -0.68 0.51 0.68 0.23 0.00 0.00 176.35 177.14 2ayz s VAL 829 N 2.46 5.05 -0.07 -1.59 -7.23 0.30 -1.51 120.40 117.81 2ayz s VAL 829 Ca 0.17 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2ayz s VAL 829 Cb -0.16 -4.19 -0.03 0.00 0.56 0.00 0.00 36.38 32.56 2ayz s VAL 829 CO 0.16 -0.66 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.54 2ayz s VAL 830 N 2.16 3.79 -0.04 1.32 1.01 -0.45 -2.55 120.40 125.64 2ayz s VAL 830 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2ayz s VAL 830 Cb -0.21 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2ayz s VAL 830 CO 0.10 0.60 0.10 -0.62 0.00 0.00 0.00 175.10 175.28 2ayz s ASP 831 N -0.79 -0.10 0.00 3.32 2.15 -0.99 -0.38 116.67 119.88 2ayz s ASP 831 Ca 0.12 0.18 0.18 0.00 0.43 0.00 0.00 52.55 53.46 2ayz s ASP 831 Cb -0.11 0.21 0.84 0.00 -0.30 0.00 0.00 42.92 43.56 2ayz s ASP 831 CO 0.02 -0.05 1.57 -0.90 -0.17 0.00 0.00 175.17 175.64 2ayz n ASP 832 N 2.94 0.00 -4.29 -0.34 5.68 -0.85 -4.09 116.55 115.61 2ayz n ASP 832 Ca -0.13 0.29 -0.25 0.00 -0.50 0.00 0.00 54.79 54.20 2ayz n ASP 832 Cb 0.59 -0.41 -0.09 0.00 -1.14 0.00 0.00 41.12 40.08 2ayz n ASP 832 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2ayz s HIS 833 N -2.81 1.85 0.04 2.11 -3.43 -1.26 -4.88 115.29 106.91 2ayz s HIS 833 Ca 0.13 -1.15 -0.04 0.00 -0.80 0.00 0.00 55.06 53.20 2ayz s HIS 833 Cb 0.12 -1.25 -0.28 0.00 -1.43 0.00 0.00 32.58 29.74 2ayz s HIS 833 CO 0.31 -0.15 1.01 -1.35 -2.00 0.00 0.00 174.74 172.56 2ayz h PRO 834 N 1.83 0.27 -0.15 -0.38 0.11 -1.99 -3.29 132.00 128.40 2ayz h PRO 834 Ca -0.38 -0.46 -0.01 0.00 0.11 0.00 0.00 66.00 65.26 2ayz h PRO 834 Cb 1.27 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 2ayz h PRO 834 CO 0.62 1.17 0.04 0.97 -0.21 0.00 0.00 178.00 180.60 2ayz h ILE 835 N 0.07 1.19 0.00 4.15 2.10 -1.98 -1.18 117.51 121.86 2ayz h ILE 835 Ca -0.19 -0.59 -0.05 0.00 1.08 0.00 0.00 64.86 65.11 2ayz h ILE 835 Cb 2.00 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 39.02 2ayz h ILE 835 CO 0.19 0.18 -0.25 -1.13 -1.08 0.00 0.00 178.15 176.05 2ayz h ASN 836 N 0.05 0.00 0.30 2.19 -1.24 -1.97 -2.86 115.58 112.05 2ayz h ASN 836 Ca 0.05 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 2ayz h ASN 836 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 2ayz h ASN 836 CO -0.00 0.25 -0.14 -0.09 -1.29 0.00 0.00 177.43 176.16 2ayz h ARG 837 N 0.00 -0.39 -0.20 6.67 2.43 -1.55 0.69 114.38 122.04 2ayz h ARG 837 Ca -0.00 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2ayz h ARG 837 Cb 1.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2ayz h ARG 837 CO 0.03 -0.21 -0.08 0.07 -1.51 0.00 0.00 179.97 178.27 2ayz h ARG 838 N -0.47 0.31 0.23 0.20 -0.00 -1.22 0.46 114.38 113.89 2ayz h ARG 838 Ca -0.04 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.98 59.86 2ayz h ARG 838 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 2ayz h ARG 838 CO 0.07 0.41 -0.11 -0.07 -0.00 0.00 0.00 179.97 180.26 2ayz h LEU 839 N 0.30 -0.27 -0.78 0.08 3.38 -1.28 -0.83 115.31 115.91 2ayz h LEU 839 Ca 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2ayz h LEU 839 Cb 0.34 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2ayz h LEU 839 CO 0.02 0.00 0.43 0.25 0.09 0.00 0.00 178.44 179.23 2ayz h LEU 840 N -0.54 0.97 -1.00 1.67 5.85 -0.60 -1.68 115.31 119.98 2ayz h LEU 840 Ca -0.03 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2ayz h LEU 840 Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2ayz h LEU 840 CO 0.05 0.79 0.04 0.00 -0.34 0.00 0.00 178.44 178.99 2ayz h ALA 841 N 1.22 1.18 -0.39 1.25 0.00 -0.88 -0.62 119.26 121.03 2ayz h ALA 841 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2ayz h ALA 841 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2ayz h ALA 841 CO -0.04 0.54 0.16 0.22 0.00 0.00 0.00 179.25 180.12 2ayz h ASP 842 N 0.72 0.54 -0.15 0.00 1.82 -0.54 0.18 116.42 119.00 2ayz h ASP 842 Ca 0.15 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2ayz h ASP 842 Cb 0.38 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2ayz h ASP 842 CO 0.01 0.56 0.09 1.56 -1.61 0.00 0.00 179.24 179.85 2ayz h GLN 843 N 0.49 0.21 -0.57 0.28 7.50 -0.89 -0.62 115.11 121.50 2ayz h GLN 843 Ca 0.13 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.24 2ayz h GLN 843 Cb 0.19 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 2ayz h GLN 843 CO -0.01 0.19 0.28 1.25 -1.50 0.00 0.00 178.83 179.04 2ayz h LEU 844 N 0.17 0.74 -0.98 1.46 5.85 -1.01 -1.74 115.31 119.79 2ayz h LEU 844 Ca 0.05 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2ayz h LEU 844 Cb 0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2ayz h LEU 844 CO -0.01 0.65 0.24 1.23 -0.34 0.00 0.00 178.44 180.21 2ayz h GLY 845 N 0.77 1.05 2.00 3.75 0.00 -0.75 -1.48 103.07 108.41 2ayz h GLY 845 Ca 0.20 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2ayz h GLY 845 CO -0.03 0.53 -0.28 1.76 0.00 0.00 0.00 176.54 178.52 2ayz h SER 846 N 0.95 0.00 0.89 0.19 0.02 -0.79 -2.18 113.55 112.64 2ayz h SER 846 Ca 0.22 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 2ayz h SER 846 Cb 0.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2ayz h SER 846 CO -0.02 0.28 -0.68 0.25 -1.14 0.00 0.00 176.83 175.53 2ayz h LEU 847 N 0.00 0.00 0.00 5.07 5.85 -0.57 -3.48 115.31 122.18 2ayz h LEU 847 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ayz h LEU 847 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2ayz h LEU 847 CO 0.04 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 179.42 2ayz n GLY 848 N 0.71 1.06 3.97 3.75 0.00 -0.63 -5.10 105.19 108.96 2ayz n GLY 848 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.42 -0.03 1.61 1.51 -1.15 -4.96 117.35 114.73 2ayz s TYR 849 Ca 0.00 -0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 2ayz s TYR 849 Cb 0.00 -2.93 -0.05 0.00 -0.11 0.00 0.00 41.96 38.87 2ayz s TYR 849 CO 0.00 -1.27 1.37 -1.14 -1.11 0.00 0.00 175.55 173.39 2ayz s GLN 850 N -4.99 4.28 -0.47 -0.62 0.74 -0.73 -4.60 119.66 113.27 2ayz s GLN 850 Ca 0.61 1.89 -0.15 0.00 0.05 0.00 0.00 55.36 57.77 2ayz s GLN 850 Cb -0.09 -3.63 0.08 0.00 1.10 0.00 0.00 33.01 30.47 2ayz s GLN 850 CO 0.42 -0.59 0.38 0.00 -0.55 0.00 0.00 175.29 174.94 2ayz s LYS 852 N 1.61 2.67 -0.11 0.00 3.01 -0.24 -4.98 119.74 121.70 2ayz s LYS 852 Ca 0.04 -1.15 -0.19 0.00 -1.01 0.00 0.00 55.97 53.66 2ayz s LYS 852 Cb -0.24 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 33.00 2ayz s LYS 852 CO 0.06 -0.68 0.50 0.99 0.51 0.00 0.00 175.35 176.73 2ayz s THR 853 N 1.44 5.17 0.09 2.17 2.01 -1.26 -0.54 115.64 124.73 2ayz s THR 853 Ca -0.01 1.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.93 2ayz s THR 853 Cb -0.19 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2ayz s THR 853 CO 0.04 0.33 0.14 0.00 -0.69 0.00 0.00 174.62 174.43 2ayz s ALA 854 N 0.60 0.05 -0.50 7.40 0.00 -1.06 -4.99 121.76 123.27 2ayz s ALA 854 Ca 0.27 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2ayz s ALA 854 Cb -0.15 0.50 0.25 0.00 0.00 0.00 0.00 23.12 23.71 2ayz s ALA 854 CO 0.11 -0.49 0.61 0.27 0.00 0.00 0.00 175.76 176.26 2ayz n ASN 855 N -0.04 1.67 0.00 0.00 0.23 -1.26 -2.36 115.26 113.51 2ayz n ASN 855 Ca -0.13 -3.00 0.00 0.00 -0.53 0.00 0.00 54.58 50.92 2ayz n ASN 855 Cb 0.62 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2ayz n ASP 856 N 1.24 0.00 -0.04 0.53 -0.08 -1.26 -4.77 116.55 112.18 2ayz n ASP 856 Ca 0.25 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.36 2ayz n ASP 856 Cb 0.48 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.87 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 0.83 1.91 0.27 0.00 -1.96 -2.71 103.07 101.42 2ayz h GLY 857 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 47.33 46.13 2ayz h GLY 857 CO 0.00 1.00 -0.33 -0.39 0.00 0.00 0.00 176.54 176.81 2ayz h VAL 858 N 0.48 1.26 -0.89 4.60 -1.51 -1.95 -2.69 116.25 115.55 2ayz h VAL 858 Ca -0.03 -1.24 0.02 0.00 -1.23 0.00 0.00 66.70 64.21 2ayz h VAL 858 Cb 1.28 1.59 -0.05 0.00 -2.13 0.00 0.00 31.29 31.99 2ayz h VAL 858 CO 0.14 0.36 0.59 -0.78 -1.23 0.00 0.00 177.57 176.65 2ayz h ASP 859 N 0.09 1.01 -0.85 4.19 3.58 -1.85 0.31 116.42 122.90 2ayz h ASP 859 Ca 0.01 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2ayz h ASP 859 Cb 0.64 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 2ayz h ASP 859 CO 0.05 0.72 0.44 0.00 -2.88 0.00 0.00 179.24 177.57 2ayz h ALA 860 N 1.34 1.10 -0.11 -0.78 0.00 -1.16 0.89 119.26 120.54 2ayz h ALA 860 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2ayz h ALA 860 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 2ayz h ALA 860 CO -0.08 0.63 -0.50 1.25 0.00 0.00 0.00 179.25 180.54 2ayz h LEU 861 N 1.20 0.32 -0.17 0.00 5.85 -1.24 -0.13 115.31 121.15 2ayz h LEU 861 Ca 0.30 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 2ayz h LEU 861 Cb 0.07 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2ayz h LEU 861 CO -0.04 0.77 -0.30 -1.13 -0.34 0.00 0.00 178.44 177.40 2ayz h ASN 862 N 0.24 0.56 -0.01 1.25 -1.24 -0.55 -2.15 115.58 113.69 2ayz h ASN 862 Ca 0.01 -0.54 -0.06 0.00 0.71 0.00 0.00 56.30 56.43 2ayz h ASN 862 Cb 0.97 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 2ayz h ASN 862 CO 0.08 0.99 -0.14 0.58 -1.29 0.00 0.00 177.43 177.65 2ayz h VAL 863 N 0.15 1.20 -0.34 2.57 2.07 -0.72 -1.19 116.25 119.99 2ayz h VAL 863 Ca 0.01 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 2ayz h VAL 863 Cb 0.88 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2ayz h VAL 863 CO 0.07 0.27 -0.15 0.25 0.02 0.00 0.00 177.57 178.03 2ayz h LEU 864 N 0.28 0.60 -0.33 2.57 7.12 -0.89 0.15 115.31 124.80 2ayz h LEU 864 Ca 0.05 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2ayz h LEU 864 Cb 0.42 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2ayz h LEU 864 CO 0.02 0.77 0.00 0.28 -0.13 0.00 0.00 178.44 179.38 2ayz h SER 865 N 0.55 0.00 0.00 1.25 0.02 -0.57 -3.35 113.55 111.45 2ayz h SER 865 Ca 0.09 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.74 2ayz h SER 865 Cb 0.58 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 2ayz h SER 865 CO 0.04 0.00 -1.91 1.17 -1.14 0.00 0.00 176.83 174.98 2ayz n LYS 866 N -2.95 0.56 -1.66 3.45 0.00 -0.71 -5.04 118.16 111.82 2ayz n LYS 866 Ca 0.03 0.30 -0.07 0.00 0.00 0.00 0.00 58.31 58.58 2ayz n LYS 866 Cb 0.46 -1.52 0.03 0.00 0.00 0.00 0.00 35.03 34.00 2ayz n LYS 866 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2ayz n ASN 867 N -4.34 0.72 -4.70 3.14 5.15 0.49 -5.10 115.26 110.61 2ayz n ASN 867 Ca -0.40 -1.53 -0.32 0.00 -0.60 0.00 0.00 54.58 51.74 2ayz n ASN 867 Cb 0.74 -0.16 -0.08 0.00 -0.53 0.00 0.00 39.78 39.75 2ayz n ASN 867 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2ayz s HIS 868 N -0.33 3.08 -0.00 1.20 3.76 -1.26 -4.63 115.29 117.10 2ayz s HIS 868 Ca 0.22 0.07 -0.21 0.00 -0.15 0.00 0.00 55.06 54.98 2ayz s HIS 868 Cb -0.02 -1.64 0.04 0.00 1.11 0.00 0.00 32.58 32.08 2ayz s HIS 868 CO 0.14 0.48 0.47 -1.50 -0.85 0.00 0.00 174.74 173.48 2ayz s ILE 869 N -1.17 0.04 -0.27 0.60 1.10 -1.26 -4.89 121.20 115.35 2ayz s ILE 869 Ca 0.22 -0.30 -0.13 0.00 -0.51 0.00 0.00 60.65 59.93 2ayz s ILE 869 Cb -0.12 -0.86 -0.12 0.00 0.15 0.00 0.00 42.46 41.52 2ayz s ILE 869 CO 0.13 -0.16 -0.34 0.47 -2.11 0.00 0.00 174.94 172.92 2ayz n ASP 870 N 0.86 1.90 -4.13 4.50 8.00 0.30 -4.93 116.55 123.05 2ayz n ASP 870 Ca -0.20 0.31 -0.23 0.00 0.71 0.00 0.00 54.79 55.38 2ayz n ASP 870 Cb 0.58 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.75 2ayz n ASP 870 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ayz s ILE 871 N -2.49 1.21 -0.14 0.53 -1.09 -1.07 -4.35 121.20 113.79 2ayz s ILE 871 Ca -0.38 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 2ayz s ILE 871 Cb 0.14 -1.01 -0.00 0.00 -1.58 0.00 0.00 42.46 40.01 2ayz s ILE 871 CO 0.48 0.34 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.69 2ayz s VAL 872 N -0.34 2.69 -0.12 2.92 1.01 -1.10 -1.60 120.40 123.86 2ayz s VAL 872 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2ayz s VAL 872 Cb -0.06 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2ayz s VAL 872 CO -0.00 0.52 -0.12 -0.76 0.00 0.00 0.00 175.10 174.73 2ayz s LEU 873 N 0.68 1.54 -0.31 3.92 1.43 -0.57 -0.59 118.68 124.80 2ayz s LEU 873 Ca -0.08 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2ayz s LEU 873 Cb -0.16 -1.02 0.07 0.00 0.03 0.00 0.00 46.19 45.12 2ayz s LEU 873 CO 0.02 -0.04 -0.01 -0.44 0.23 0.00 0.00 176.35 176.11 2ayz s SER 874 N 1.32 4.73 -0.54 2.29 0.01 -0.93 -1.34 113.70 119.24 2ayz s SER 874 Ca -0.00 -1.60 -0.26 0.00 1.31 0.00 0.00 55.95 55.40 2ayz s SER 874 Cb -0.14 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.48 2ayz s SER 874 CO -0.06 -0.29 1.04 -0.62 0.41 0.00 0.00 173.24 173.73 2ayz s ASP 875 N 1.18 6.43 -0.08 2.44 2.15 0.49 -0.85 116.67 128.43 2ayz s ASP 875 Ca -0.02 -0.05 -0.02 0.00 0.43 0.00 0.00 52.55 52.89 2ayz s ASP 875 Cb -0.20 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 2ayz s ASP 875 CO -0.04 -1.29 0.03 0.68 -0.17 0.00 0.00 175.17 174.38 2ayz s VAL 876 N 4.32 0.17 0.00 1.11 -7.23 0.24 -2.00 120.40 117.01 2ayz s VAL 876 Ca 0.37 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 2ayz s VAL 876 Cb -0.10 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.42 2ayz s VAL 876 CO 0.24 0.16 0.00 -3.20 -0.31 0.00 0.00 175.10 171.99 2ayz n ASN 877 N 5.21 0.00 -0.12 4.85 2.85 -1.26 -4.22 115.26 122.56 2ayz n ASN 877 Ca -0.06 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.17 2ayz n ASN 877 Cb 0.50 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.41 2ayz n ASN 877 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2ayz n MET 878 N 0.00 0.62 -0.88 1.20 1.56 -1.26 -4.94 117.12 113.41 2ayz n MET 878 Ca 0.00 0.27 -0.32 0.00 -0.27 0.00 0.00 57.70 57.38 2ayz n MET 878 Cb 0.00 -1.55 0.15 0.00 2.15 0.00 0.00 33.22 33.97 2ayz n MET 878 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2ayz s PRO 879 N -2.50 1.35 -0.02 2.12 0.04 -1.26 -4.98 135.00 129.75 2ayz s PRO 879 Ca -0.35 1.55 0.10 0.00 0.04 0.00 0.00 61.00 62.34 2ayz s PRO 879 Cb 0.11 -1.76 -0.23 0.00 0.04 0.00 0.00 34.50 32.66 2ayz s PRO 879 CO 0.56 -2.39 0.75 -0.97 0.04 0.00 0.00 177.00 174.98 2ayz h ASN 880 N -1.52 0.03 -2.43 6.66 -0.00 -1.98 -3.42 115.58 112.93 2ayz h ASN 880 Ca -0.44 -0.06 -0.60 0.00 -0.00 0.00 0.00 56.30 55.20 2ayz h ASN 880 Cb 1.27 -0.01 -0.41 0.00 -0.00 0.00 0.00 38.32 39.16 2ayz h ASN 880 CO 0.44 1.06 -0.66 0.80 -0.00 0.00 0.00 177.43 179.07 2ayz n MET 881 N -3.12 2.04 -0.80 6.67 1.56 -1.26 -4.97 117.12 117.24 2ayz n MET 881 Ca -0.15 -4.40 0.00 0.00 -0.27 0.00 0.00 57.70 52.88 2ayz n MET 881 Cb 1.04 -2.13 0.00 0.00 2.15 0.00 0.00 33.22 34.27 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 1.31 0.00 0.00 6.12 -0.08 -1.26 -5.00 116.55 117.64 2ayz n ASP 882 Ca 0.26 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2ayz n ASP 882 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 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 0.00 1.25 0.00 0.27 0.00 -1.26 -4.85 105.19 100.60 2ayz n GLY 883 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ayz n GLY 883 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ayz n TYR 884 N -0.26 0.00 0.24 1.61 4.11 -1.26 -4.86 117.16 116.74 2ayz n TYR 884 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.05 2ayz n TYR 884 Cb 0.00 0.00 0.81 0.00 -0.00 0.00 0.00 39.34 40.15 2ayz n TYR 884 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 2ayz h ARG 885 N 0.00 0.00 0.00 -3.48 1.12 -1.90 0.13 114.38 110.25 2ayz h ARG 885 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 2ayz h ARG 885 Cb 0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 2ayz h ARG 885 CO 0.00 0.00 -0.42 1.37 -3.11 0.00 0.00 179.97 177.81 2ayz h LEU 886 N 0.00 0.00 0.00 3.80 -0.00 -1.92 -1.18 115.31 116.01 2ayz h LEU 886 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.77 2ayz h LEU 886 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2ayz h LEU 886 CO -0.00 0.42 -0.79 0.74 -0.00 0.00 0.00 178.44 178.81 2ayz h THR 887 N 0.00 1.16 -0.64 0.15 2.02 -1.08 -2.61 112.91 111.91 2ayz h THR 887 Ca -0.00 -2.67 0.07 0.00 0.77 0.00 0.00 66.41 64.58 2ayz h THR 887 Cb 0.80 2.56 -0.06 0.00 -1.74 0.00 0.00 68.15 69.71 2ayz h THR 887 CO 0.05 0.66 0.32 -0.61 0.37 0.00 0.00 175.52 176.32 2ayz h GLN 888 N 0.00 0.57 -0.62 6.66 5.75 -1.04 0.17 115.11 126.61 2ayz h GLN 888 Ca -0.03 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 2ayz h GLN 888 Cb 1.56 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.96 2ayz h GLN 888 CO 0.09 0.38 0.11 0.00 -2.65 0.00 0.00 178.83 176.76 2ayz h ARG 889 N 0.59 1.00 -0.31 1.69 2.47 -1.37 -1.66 114.38 116.79 2ayz h ARG 889 Ca 0.30 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2ayz h ARG 889 Cb 0.25 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2ayz h ARG 889 CO -0.22 0.91 0.14 0.82 0.56 0.00 0.00 179.97 182.18 2ayz h ILE 890 N 0.94 1.16 0.00 2.04 2.04 -0.88 -2.07 117.51 120.75 2ayz h ILE 890 Ca 0.19 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 2ayz h ILE 890 Cb 0.39 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2ayz h ILE 890 CO 0.01 0.17 -0.37 0.08 0.00 0.00 0.00 178.15 178.04 2ayz h ARG 891 N 0.35 0.00 -0.55 2.37 -0.00 -0.62 0.16 114.38 116.10 2ayz h ARG 891 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.03 2ayz h ARG 891 Cb 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.09 2ayz h ARG 891 CO -0.01 0.37 0.14 0.37 -0.00 0.00 0.00 179.97 180.83 2ayz h GLN 892 N 0.00 0.87 -0.33 0.08 5.75 -1.05 -2.94 115.11 117.49 2ayz h GLN 892 Ca -0.00 -0.21 -0.18 0.00 -0.15 0.00 0.00 58.65 58.11 2ayz h GLN 892 Cb 0.91 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.35 2ayz h GLN 892 CO 0.05 0.82 -0.48 1.25 -2.65 0.00 0.00 178.83 177.82 2ayz h LEU 893 N 0.77 1.00 -0.53 -2.39 7.12 -0.85 -3.48 115.31 116.94 2ayz h LEU 893 Ca 0.17 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2ayz h LEU 893 Cb 0.33 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 2ayz h LEU 893 CO 0.00 1.31 0.00 0.61 -0.13 0.00 0.00 178.44 180.23 2ayz n GLY 894 N 0.27 0.77 3.67 3.75 0.00 0.53 -5.02 105.19 109.16 2ayz n GLY 894 Ca -0.03 -0.22 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 2ayz n GLY 894 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ayz n LEU 895 N -0.27 3.10 -1.42 0.99 4.32 -1.11 -4.87 117.00 117.74 2ayz n LEU 895 Ca 0.00 1.08 0.05 0.00 -0.02 0.00 0.00 56.01 57.12 2ayz n LEU 895 Cb 0.19 -1.43 0.28 0.00 -1.62 0.00 0.00 43.42 40.84 2ayz n LEU 895 CO 0.00 -0.29 0.69 1.07 -1.22 0.00 0.00 177.39 177.64 2ayz n THR 896 N 3.44 1.80 -4.36 -5.08 5.66 -1.26 -4.88 114.28 109.60 2ayz n THR 896 Ca 0.17 -0.95 -0.25 0.00 -3.05 0.00 0.00 64.05 59.97 2ayz n THR 896 Cb 0.29 -0.26 -0.13 0.00 -1.55 0.00 0.00 70.33 68.68 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 -1.83 2.28 0.16 1.09 2.34 -1.26 -5.11 118.68 116.34 2ayz s LEU 897 Ca 0.38 -0.66 -0.31 0.00 0.06 0.00 0.00 54.13 53.59 2ayz s LEU 897 Cb 0.28 -0.93 -0.10 0.00 -0.56 0.00 0.00 46.19 44.88 2ayz s LEU 897 CO 0.13 0.09 1.61 -2.84 -1.06 0.00 0.00 176.35 174.28 2ayz s PRO 898 N -1.79 4.20 -0.21 1.48 0.02 -1.26 -4.93 135.00 132.50 2ayz s PRO 898 Ca 0.07 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 2ayz s PRO 898 Cb -0.10 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 2ayz s PRO 898 CO 0.04 -0.65 -0.00 0.08 -0.33 0.00 0.00 177.00 176.13 2ayz s VAL 899 N 1.43 3.81 -0.31 3.83 1.01 -1.08 -2.73 120.40 126.37 2ayz s VAL 899 Ca 0.72 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 2ayz s VAL 899 Cb -0.44 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2ayz s VAL 899 CO 0.32 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 175.22 2ayz s ILE 900 N 1.27 3.23 -0.32 2.22 1.01 0.25 -1.61 121.20 127.25 2ayz s ILE 900 Ca 0.04 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.20 2ayz s ILE 900 Cb -0.15 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 2ayz s ILE 900 CO 0.01 -0.11 0.68 -0.83 0.00 0.00 0.00 174.94 174.69 2ayz s GLY 901 N 1.31 1.75 -0.75 6.18 0.00 -0.25 -2.19 107.32 113.37 2ayz s GLY 901 Ca -0.04 -0.61 -0.22 0.00 0.00 0.00 0.00 44.72 43.85 2ayz s GLY 901 CO -0.00 1.56 1.03 0.14 0.00 0.00 0.00 173.10 175.83 2ayz s VAL 902 N 2.74 4.40 -0.03 1.40 1.01 -0.03 -1.00 120.40 128.90 2ayz s VAL 902 Ca 0.27 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2ayz s VAL 902 Cb -0.15 -4.73 -0.01 0.00 0.00 0.00 0.00 36.38 31.50 2ayz s VAL 902 CO 0.13 -1.50 -0.17 0.42 0.00 0.00 0.00 175.10 173.98 2ayz s THR 903 N 3.76 1.35 -0.21 3.92 -4.23 0.16 -0.59 115.64 119.80 2ayz s THR 903 Ca 0.26 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 2ayz s THR 903 Cb -0.13 -1.15 0.08 0.00 1.34 0.00 0.00 72.50 72.65 2ayz s THR 903 CO 0.04 0.39 0.16 0.00 -0.54 0.00 0.00 174.62 174.67 2ayz s ALA 904 N -0.13 0.10 0.00 3.99 0.00 -1.26 -4.22 121.76 120.24 2ayz s ALA 904 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2ayz s ALA 904 Cb -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2ayz s ALA 904 CO 0.01 -1.30 0.00 -1.71 0.00 0.00 0.00 175.76 172.76 2ayz n ASN 905 N 5.29 -1.52 -1.59 0.00 2.85 -1.26 -4.84 115.26 114.19 2ayz n ASN 905 Ca -0.06 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.50 2ayz n ASN 905 Cb 0.48 -0.38 0.36 0.00 1.24 0.00 0.00 39.78 41.48 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 -1.31 3.14 -2.59 5.20 0.00 -1.26 -4.99 120.51 118.70 2ayz n ALA 906 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 53.44 51.77 2ayz n ALA 906 Cb 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2ayz n ALA 906 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayz n LEU 907 N 1.04 -7.17 -2.96 0.00 4.32 -1.26 -4.48 117.00 106.49 2ayz n LEU 907 Ca 0.26 0.95 -0.06 0.00 -0.02 0.00 0.00 56.01 57.14 2ayz n LEU 907 Cb 0.92 -3.04 0.03 0.00 -1.62 0.00 0.00 43.42 39.70 2ayz n LEU 907 CO 0.24 -2.50 0.19 0.00 -1.22 0.00 0.00 177.39 174.10 2ayz n ALA 908 N 0.25 -2.34 0.25 -1.18 0.00 -1.26 -4.85 120.51 111.38 2ayz n ALA 908 Ca 0.04 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.62 2ayz n ALA 908 Cb 0.15 -3.02 0.63 0.00 0.00 0.00 0.00 19.45 17.21 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 -0.18 0.00 -0.38 0.00 3.07 -1.99 -1.59 114.58 113.50 2ayz h GLU 909 Ca -0.23 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.56 2ayz h GLU 909 Cb 1.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 2ayz h GLU 909 CO 0.32 0.14 -0.02 0.93 -1.40 0.00 0.00 179.01 178.98 2ayz h GLU 910 N 0.00 0.62 -0.13 2.33 3.07 -1.97 0.12 114.58 118.62 2ayz h GLU 910 Ca -0.00 -0.15 -0.22 0.00 -0.50 0.00 0.00 59.36 58.49 2ayz h GLU 910 Cb 0.30 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2ayz h GLU 910 CO 0.02 0.65 -0.79 -0.22 -1.40 0.00 0.00 179.01 177.27 2ayz h LYS 911 N 0.58 0.73 0.00 2.33 3.64 -1.65 -2.67 116.57 119.52 2ayz h LYS 911 Ca 0.12 -0.60 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 2ayz h LYS 911 Cb 0.40 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2ayz h LYS 911 CO 0.02 1.21 -0.40 1.96 -2.27 0.00 0.00 179.45 179.97 2ayz h GLN 912 N 0.49 0.00 -0.67 1.90 7.50 -1.15 -1.95 115.11 121.23 2ayz h GLN 912 Ca -0.05 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.11 2ayz h GLN 912 Cb 1.41 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.91 2ayz h GLN 912 CO 0.16 0.40 0.44 0.00 -1.50 0.00 0.00 178.83 178.33 2ayz h ARG 913 N 0.00 0.87 0.00 1.46 2.47 -0.63 -0.01 114.38 118.54 2ayz h ARG 913 Ca -0.00 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 2ayz h ARG 913 Cb 0.84 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2ayz h ARG 913 CO 0.05 0.57 -0.20 0.00 0.56 0.00 0.00 179.97 180.96 2ayz h LEU 915 N 0.00 -0.12 0.02 0.00 4.07 -0.33 -3.36 115.31 115.59 2ayz h LEU 915 Ca -0.00 -0.44 -0.07 0.00 0.08 0.00 0.00 57.88 57.45 2ayz h LEU 915 Cb 0.46 0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.24 2ayz h LEU 915 CO 0.03 0.43 -0.27 1.05 -1.08 0.00 0.00 178.44 178.60 2ayz h GLU 916 N -0.72 0.15 -6.42 1.13 -0.00 -1.12 -3.47 114.58 104.13 2ayz h GLU 916 Ca -0.01 -0.19 -0.48 0.00 -0.00 0.00 0.00 59.36 58.68 2ayz h GLU 916 Cb 0.55 0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.33 2ayz h GLU 916 CO 0.02 0.97 -0.89 0.43 -0.00 0.00 0.00 179.01 179.55 2ayz n SER 917 N -4.48 -1.05 -0.11 3.06 7.64 -0.15 -4.34 113.62 114.19 2ayz n SER 917 Ca -0.10 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2ayz n SER 917 Cb 0.54 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.54 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 -1.90 -2.00 0.00 0.23 0.00 -1.26 -4.86 105.19 95.39 2ayz n GLY 918 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 0.00 0.00 1.61 2.81 -1.26 -4.59 117.12 115.66 2ayz n MET 919 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ayz n MET 919 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 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 -4.22 7.83 2.03 -0.64 -2.63 116.55 118.92 2ayz n ASP 920 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2ayz n ASP 920 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ayz s SER 921 N 0.00 1.11 -0.07 1.67 0.01 -1.05 -5.03 113.70 110.35 2ayz s SER 921 Ca 0.00 -1.16 -0.06 0.00 1.31 0.00 0.00 55.95 56.05 2ayz s SER 921 Cb 0.00 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.38 2ayz s SER 921 CO 0.00 -0.57 0.17 0.00 0.41 0.00 0.00 173.24 173.25 2ayz s LEU 923 N 0.21 2.03 0.21 0.00 1.43 -0.17 -4.94 118.68 117.47 2ayz s LEU 923 Ca -0.01 -1.74 0.06 0.00 -1.03 0.00 0.00 54.13 51.42 2ayz s LEU 923 Cb -0.02 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2ayz s LEU 923 CO -0.01 -0.98 0.15 -0.44 0.23 0.00 0.00 176.35 175.30 2ayz s SER 924 N -3.70 5.43 0.30 2.29 0.01 -1.26 -0.67 113.70 116.09 2ayz s SER 924 Ca 0.16 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.24 2ayz s SER 924 Cb 0.01 -1.37 0.74 0.00 0.21 0.00 0.00 66.02 65.61 2ayz s SER 924 CO 0.11 0.01 1.75 0.50 0.41 0.00 0.00 173.24 176.02 2ayz h LYS 925 N 1.93 0.61 -3.59 12.44 1.63 -1.84 -3.13 116.57 124.62 2ayz h LYS 925 Ca -0.48 -0.04 -0.28 0.00 -0.85 0.00 0.00 60.65 59.00 2ayz h LYS 925 Cb 1.22 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2ayz h LYS 925 CO 0.61 0.40 2.20 -2.30 -3.45 0.00 0.00 179.45 176.92 2ayz n PRO 926 N -4.87 1.55 -2.86 1.90 -0.02 -1.26 -4.84 135.00 124.60 2ayz n PRO 926 Ca 0.23 -1.22 -0.43 0.00 -2.02 0.00 0.00 63.50 60.06 2ayz n PRO 926 Cb 0.61 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.83 4.36 0.77 -1.45 -7.23 -1.18 -5.00 120.40 114.50 2ayz s VAL 927 Ca 0.30 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 59.85 2ayz s VAL 927 Cb 0.08 -4.70 0.17 0.00 0.56 0.00 0.00 36.38 32.49 2ayz s VAL 927 CO -0.02 -1.47 1.05 0.35 -0.31 0.00 0.00 175.10 174.69 2ayz n THR 928 N 5.89 0.00 -0.15 5.32 -2.24 -1.26 -4.75 114.28 117.10 2ayz n THR 928 Ca -0.00 -0.90 -0.05 0.00 -2.27 0.00 0.00 64.05 60.83 2ayz n THR 928 Cb 0.46 -1.48 0.04 0.00 -2.10 0.00 0.00 70.33 67.25 2ayz n THR 928 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ayz h LEU 929 N 0.00 0.32 -0.35 3.22 7.12 -1.95 -0.03 115.31 123.64 2ayz h LEU 929 Ca -0.34 0.03 -0.19 0.00 0.13 0.00 0.00 57.88 57.51 2ayz h LEU 929 Cb 0.99 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.09 2ayz h LEU 929 CO 0.26 0.22 -0.73 -0.78 -0.13 0.00 0.00 178.44 177.28 2ayz h ASP 930 N 0.45 0.62 -0.25 1.25 1.82 -1.98 0.07 116.42 118.41 2ayz h ASP 930 Ca 0.21 -0.40 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 2ayz h ASP 930 Cb 0.13 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2ayz h ASP 930 CO -0.16 1.16 0.12 0.58 -1.61 0.00 0.00 179.24 179.33 2ayz h VAL 931 N 0.36 1.14 -0.02 2.25 2.07 -1.83 -0.16 116.25 120.06 2ayz h VAL 931 Ca -0.03 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 2ayz h VAL 931 Cb 1.32 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2ayz h VAL 931 CO 0.13 0.14 -0.38 -0.29 0.02 0.00 0.00 177.57 177.19 2ayz h ILE 932 N 0.28 1.28 -0.09 4.57 2.10 -0.96 -2.76 117.51 121.92 2ayz h ILE 932 Ca 0.09 -1.34 -0.02 0.00 1.08 0.00 0.00 64.86 64.67 2ayz h ILE 932 Cb 0.11 1.69 -0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2ayz h ILE 932 CO -0.01 0.39 -0.01 0.50 -1.08 0.00 0.00 178.15 177.93 2ayz h LYS 933 N 0.04 0.16 -0.47 2.19 3.64 -0.26 -0.08 116.57 121.79 2ayz h LYS 933 Ca 0.00 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 2ayz h LYS 933 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2ayz h LYS 933 CO 0.05 0.47 -0.18 -0.56 -2.27 0.00 0.00 179.45 176.96 2ayz h GLN 934 N -0.16 0.95 -0.16 1.90 -0.00 -1.05 0.08 115.11 116.68 2ayz h GLN 934 Ca 0.02 -0.39 -0.00 0.00 -0.00 0.00 0.00 58.65 58.28 2ayz h GLN 934 Cb 0.40 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.84 2ayz h GLN 934 CO 0.01 1.06 0.10 1.15 -0.00 0.00 0.00 178.83 181.15 2ayz h THR 935 N 0.80 1.07 0.50 1.86 2.02 -1.46 -1.49 112.91 116.20 2ayz h THR 935 Ca 0.11 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2ayz h THR 935 Cb 0.75 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2ayz h THR 935 CO 0.06 0.06 -0.24 -0.07 0.37 0.00 0.00 175.52 175.70 2ayz h LEU 936 N 0.19 -0.57 -0.59 2.58 -0.00 -0.88 -2.26 115.31 113.78 2ayz h LEU 936 Ca 0.06 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2ayz h LEU 936 Cb 0.01 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.79 2ayz h LEU 936 CO -0.01 -0.29 0.39 0.74 -0.00 0.00 0.00 178.44 179.27 2ayz h THR 937 N -0.83 1.15 -0.24 0.22 2.02 -0.99 0.85 112.91 115.09 2ayz h THR 937 Ca -0.07 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 66.68 2ayz h THR 937 Cb 0.58 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2ayz h THR 937 CO 0.11 0.15 -0.49 -0.07 0.37 0.00 0.00 175.52 175.59 2ayz h LEU 938 N 0.80 0.71 0.01 2.58 4.07 -1.31 -2.66 115.31 119.51 2ayz h LEU 938 Ca 0.22 -0.36 -0.24 0.00 0.08 0.00 0.00 57.88 57.58 2ayz h LEU 938 Cb -0.09 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.41 2ayz h LEU 938 CO -0.05 1.08 -1.24 1.88 -1.08 0.00 0.00 178.44 179.03 2ayz h TYR 939 N 0.51 0.04 -0.58 1.13 -1.99 -1.18 -1.97 116.97 112.94 2ayz h TYR 939 Ca 0.02 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 2ayz h TYR 939 Cb 1.04 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.74 2ayz h TYR 939 CO 0.05 1.03 0.13 0.00 -0.00 0.00 0.00 178.16 179.37 2ayz h ALA 940 N 0.96 1.15 0.00 3.88 0.00 -0.83 -0.36 119.26 124.06 2ayz h ALA 940 Ca -0.11 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2ayz h ALA 940 Cb 1.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2ayz h ALA 940 CO 0.12 0.58 -0.87 1.05 0.00 0.00 0.00 179.25 180.13 2ayz h GLU 941 N 0.86 0.18 -0.10 0.00 4.11 -1.50 -2.05 114.58 116.09 2ayz h GLU 941 Ca 0.19 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2ayz h GLU 941 Cb 0.32 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ayz h GLU 941 CO 0.00 0.94 0.05 -0.09 0.07 0.00 0.00 179.01 179.98 2ayz h ARG 942 N 0.10 0.14 -0.02 1.06 9.65 -0.77 0.06 114.38 124.62 2ayz h ARG 942 Ca -0.04 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 2ayz h ARG 942 Cb 1.49 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 30.03 2ayz h ARG 942 CO 0.13 0.20 -0.58 -0.39 2.80 0.00 0.00 179.97 182.13 2ayz h VAL 943 N 0.05 1.41 -0.16 0.20 -1.51 -1.14 -1.33 116.25 113.77 2ayz h VAL 943 Ca 0.04 -1.97 -0.02 0.00 -1.23 0.00 0.00 66.70 63.52 2ayz h VAL 943 Cb 0.10 2.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 2ayz h VAL 943 CO -0.00 0.57 0.04 0.03 -1.23 0.00 0.00 177.57 176.97 2ayz h ARG 944 N 0.04 0.25 0.00 5.19 3.08 -0.97 -0.76 114.38 121.21 2ayz h ARG 944 Ca -0.01 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 2ayz h ARG 944 Cb 1.04 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2ayz h ARG 944 CO 0.08 0.40 -0.74 1.57 -1.07 0.00 0.00 179.97 180.21 2ayz h LYS 945 N 0.06 0.00 0.02 0.04 2.10 -0.95 0.28 116.57 118.11 2ayz h LYS 945 Ca 0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2ayz h LYS 945 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2ayz h LYS 945 CO 0.00 0.63 -0.01 0.77 -2.00 0.00 0.00 179.45 178.85 2ayz h SER 946 N 0.00 -0.02 0.88 7.07 0.02 -1.21 -3.36 113.55 116.93 2ayz h SER 946 Ca -0.02 -0.74 -0.16 0.00 -0.84 0.00 0.00 61.79 60.03 2ayz h SER 946 Cb 1.53 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.04 2ayz h SER 946 CO 0.08 0.77 -1.20 -0.09 -1.14 0.00 0.00 176.83 175.25 2ayz h ARG 947 N -0.84 0.00 -5.10 3.45 2.43 -1.26 -3.50 114.38 109.56 2ayz h ARG 947 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ayz h ARG 947 Cb 0.76 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2ayz h ARG 947 CO 0.00 0.38 -1.01 -3.47 -1.51 0.00 0.00 179.97 174.37 2ayz n ASP 948 N -2.99 -7.71 0.00 -3.80 2.03 0.08 -5.06 116.55 99.10 2ayz n ASP 948 Ca -0.07 1.43 0.00 0.00 0.52 0.00 0.00 54.79 56.67 2ayz n ASP 948 Cb 0.83 -5.31 0.00 0.00 -0.72 0.00 0.00 41.12 35.92 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08