#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 -2.16 -0.55 3.14 0.00 -1.26 -5.06 121.76 115.88 2ayz s ALA 818 Ca 0.00 2.30 0.07 0.00 0.00 0.00 0.00 51.96 54.32 2ayz s ALA 818 Cb 0.00 -1.73 0.30 0.00 0.00 0.00 0.00 23.12 21.69 2ayz s ALA 818 CO 0.00 -0.71 0.78 0.28 0.00 0.00 0.00 175.76 176.11 2ayz n VAL 819 N 4.84 1.83 -3.64 0.00 0.31 -1.26 -4.99 118.33 115.41 2ayz n VAL 819 Ca -0.14 -5.09 -0.29 0.00 -0.01 0.00 0.00 64.34 58.80 2ayz n VAL 819 Cb 0.53 -1.58 -0.13 0.00 -0.91 0.00 0.00 33.84 31.75 2ayz n VAL 819 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2ayz s SER 820 N -2.64 3.56 0.04 4.52 0.01 -1.26 -5.11 113.70 112.82 2ayz s SER 820 Ca 0.42 -2.21 -0.02 0.00 1.31 0.00 0.00 55.95 55.45 2ayz s SER 820 Cb 0.23 -0.80 -0.02 0.00 0.21 0.00 0.00 66.02 65.64 2ayz s SER 820 CO -0.08 -0.32 0.01 -0.62 0.41 0.00 0.00 173.24 172.64 2ayz s ASP 821 N 0.93 0.30 0.00 2.44 2.15 -1.26 -5.07 116.67 116.15 2ayz s ASP 821 Ca 0.15 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2ayz s ASP 821 Cb -0.22 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 2ayz s ASP 821 CO -0.07 -0.46 0.00 -3.20 -0.17 0.00 0.00 175.17 171.26 2ayz n ASN 822 N 0.85 0.00 -1.64 -0.34 2.85 -1.26 -5.05 115.26 110.67 2ayz n ASN 822 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2ayz n ASN 822 Cb 0.58 0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.74 2ayz n ASN 822 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ayz n ASP 823 N -2.23 0.00 -3.19 1.20 2.03 -1.26 -4.83 116.55 108.27 2ayz n ASP 823 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2ayz n ASP 823 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.38 4.08 -4.52 1.67 2.03 -1.26 -4.99 116.55 113.93 2ayz n ASP 824 Ca 0.00 -3.56 -0.43 0.00 0.52 0.00 0.00 54.79 51.33 2ayz n ASP 824 Cb 0.00 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 39.74 2ayz n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayz s MET 825 N -2.94 3.35 -0.19 -0.67 1.75 -1.26 -5.01 119.30 114.32 2ayz s MET 825 Ca 0.44 -0.23 -0.19 0.00 -1.25 0.00 0.00 55.69 54.46 2ayz s MET 825 Cb 0.21 -4.04 -0.03 0.00 2.84 0.00 0.00 34.83 33.81 2ayz s MET 825 CO -0.07 -1.45 0.54 0.00 -0.65 0.00 0.00 175.02 173.38 2ayz s MET 826 N 3.90 4.20 -0.12 4.11 0.23 -1.26 -2.30 119.30 128.06 2ayz s MET 826 Ca 0.31 0.45 -0.00 0.00 -1.03 0.00 0.00 55.69 55.42 2ayz s MET 826 Cb -0.12 -3.56 -0.02 0.00 -1.53 0.00 0.00 34.83 29.60 2ayz s MET 826 CO 0.20 -0.14 -0.11 0.42 -2.03 0.00 0.00 175.02 173.35 2ayz s ILE 827 N 1.61 3.24 -0.38 3.16 -1.09 0.10 -1.31 121.20 126.54 2ayz s ILE 827 Ca 0.25 -0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 57.93 2ayz s ILE 827 Cb -0.15 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 2ayz s ILE 827 CO 0.10 0.53 0.26 -0.22 -1.23 0.00 0.00 174.94 174.39 2ayz s LEU 828 N 0.10 4.84 -0.74 2.97 2.96 0.06 -0.61 118.68 128.26 2ayz s LEU 828 Ca -0.05 -0.78 -0.19 0.00 -0.22 0.00 0.00 54.13 52.90 2ayz s LEU 828 Cb -0.14 -2.12 0.12 0.00 0.50 0.00 0.00 46.19 44.54 2ayz s LEU 828 CO 0.04 -0.37 0.89 0.68 -1.32 0.00 0.00 176.35 176.27 2ayz s VAL 829 N 1.67 4.80 -0.96 1.68 -7.23 0.07 -1.95 120.40 118.48 2ayz s VAL 829 Ca 0.05 -1.25 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2ayz s VAL 829 Cb -0.19 -4.62 0.24 0.00 0.56 0.00 0.00 36.38 32.38 2ayz s VAL 829 CO 0.09 -1.30 0.90 -0.69 -0.31 0.00 0.00 175.10 173.79 2ayz s VAL 830 N 2.63 5.26 -0.11 1.32 1.01 -0.94 -2.34 120.40 127.23 2ayz s VAL 830 Ca 0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 61.98 58.79 2ayz s VAL 830 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2ayz s VAL 830 CO 0.00 -1.10 0.05 -0.62 0.00 0.00 0.00 175.10 173.42 2ayz s ASP 831 N 0.97 5.62 0.29 3.32 2.15 -0.88 -0.32 116.67 127.81 2ayz s ASP 831 Ca 0.26 0.23 0.23 0.00 0.43 0.00 0.00 52.55 53.71 2ayz s ASP 831 Cb -0.10 -1.71 0.28 0.00 -0.30 0.00 0.00 42.92 41.09 2ayz s ASP 831 CO -0.09 0.36 1.40 -0.78 -0.17 0.00 0.00 175.17 175.89 2ayz h ASP 832 N 5.29 0.00 -3.35 -0.34 3.58 -1.36 -3.38 116.42 116.87 2ayz h ASP 832 Ca -0.50 -0.03 -0.60 0.00 0.42 0.00 0.00 57.03 56.32 2ayz h ASP 832 Cb 1.20 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.85 2ayz h ASP 832 CO 0.57 0.02 -0.75 -1.00 -2.88 0.00 0.00 179.24 175.20 2ayz s HIS 833 N -3.24 2.22 0.18 0.28 3.76 -1.26 -4.95 115.29 112.27 2ayz s HIS 833 Ca 0.05 -1.96 0.09 0.00 -0.15 0.00 0.00 55.06 53.08 2ayz s HIS 833 Cb 0.09 -1.92 0.63 0.00 1.11 0.00 0.00 32.58 32.48 2ayz s HIS 833 CO 0.71 -0.86 0.81 -2.30 -0.85 0.00 0.00 174.74 172.24 2ayz n PRO 834 N 4.70 -0.03 -0.13 8.40 -0.01 -1.26 -1.07 135.00 145.60 2ayz n PRO 834 Ca -0.02 0.72 0.09 0.00 -0.01 0.00 0.00 63.50 64.28 2ayz n PRO 834 Cb 0.43 -1.26 0.43 0.00 -0.01 0.00 0.00 33.50 33.09 2ayz n PRO 834 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 175.50 176.46 2ayz h ILE 835 N 0.00 0.95 0.00 4.25 -0.00 -1.97 -1.59 117.51 119.15 2ayz h ILE 835 Ca 0.41 -0.19 -0.13 0.00 -0.00 0.00 0.00 64.86 64.95 2ayz h ILE 835 Cb 1.04 0.34 -0.02 0.00 -0.00 0.00 0.00 36.82 38.18 2ayz h ILE 835 CO -0.41 0.10 -0.87 -1.13 -0.00 0.00 0.00 178.15 175.84 2ayz h ASN 836 N 0.57 0.00 0.30 2.19 -1.24 -1.52 -2.76 115.58 113.13 2ayz h ASN 836 Ca 0.29 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 2ayz h ASN 836 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2ayz h ASN 836 CO -0.09 0.52 -0.15 -0.09 -1.29 0.00 0.00 177.43 176.34 2ayz h ARG 837 N 0.00 -0.39 -0.61 6.67 2.43 -1.43 0.14 114.38 121.19 2ayz h ARG 837 Ca -0.06 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2ayz h ARG 837 Cb 1.46 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.07 2ayz h ARG 837 CO 0.06 -0.19 0.03 0.07 -1.51 0.00 0.00 179.97 178.42 2ayz h ARG 838 N -0.52 1.05 -0.53 0.20 -0.00 -1.57 -0.16 114.38 112.85 2ayz h ARG 838 Ca -0.04 -0.32 -0.08 0.00 -0.00 0.00 0.00 59.98 59.54 2ayz h ARG 838 Cb 0.39 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.23 2ayz h ARG 838 CO 0.07 1.02 0.02 -0.07 -0.00 0.00 0.00 179.97 181.01 2ayz h LEU 839 N 0.95 0.90 -0.79 0.08 3.38 -1.45 -0.09 115.31 118.30 2ayz h LEU 839 Ca 0.17 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2ayz h LEU 839 Cb 0.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2ayz h LEU 839 CO 0.03 0.97 -0.10 0.25 0.09 0.00 0.00 178.44 179.68 2ayz h LEU 840 N 0.80 0.80 -1.22 1.67 5.85 -0.55 -1.67 115.31 120.99 2ayz h LEU 840 Ca 0.15 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2ayz h LEU 840 Cb 0.50 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ayz h LEU 840 CO 0.02 0.93 -0.39 0.00 -0.34 0.00 0.00 178.44 178.66 2ayz h ALA 841 N 1.15 1.33 -0.28 1.25 0.00 -0.71 0.23 119.26 122.23 2ayz h ALA 841 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2ayz h ALA 841 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ayz h ALA 841 CO 0.04 0.48 0.01 0.22 0.00 0.00 0.00 179.25 180.00 2ayz h ASP 842 N 0.00 0.48 -0.73 0.00 1.82 -0.43 0.03 116.42 117.60 2ayz h ASP 842 Ca -0.00 -0.30 -0.05 0.00 -0.39 0.00 0.00 57.03 56.29 2ayz h ASP 842 Cb 0.70 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.55 2ayz h ASP 842 CO 0.05 0.67 0.27 1.56 -1.61 0.00 0.00 179.24 180.18 2ayz h GLN 843 N 0.28 1.10 -0.19 0.28 7.50 -0.97 -1.71 115.11 121.40 2ayz h GLN 843 Ca 0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 58.65 58.99 2ayz h GLN 843 Cb 0.42 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 2ayz h GLN 843 CO 0.01 0.91 -0.02 1.25 -1.50 0.00 0.00 178.83 179.48 2ayz h LEU 844 N 1.05 0.26 -0.86 1.46 5.85 -0.83 -2.17 115.31 120.07 2ayz h LEU 844 Ca 0.24 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2ayz h LEU 844 Cb 0.24 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2ayz h LEU 844 CO -0.02 0.34 -0.14 1.23 -0.34 0.00 0.00 178.44 179.51 2ayz h GLY 845 N 0.61 0.75 1.74 3.75 0.00 -0.11 0.12 103.07 109.93 2ayz h GLY 845 Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 2ayz h GLY 845 CO 0.01 0.52 -0.14 1.76 0.00 0.00 0.00 176.54 178.69 2ayz h SER 846 N 0.62 0.31 0.26 0.19 0.02 -0.79 -1.99 113.55 112.17 2ayz h SER 846 Ca 0.10 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 2ayz h SER 846 Cb 0.59 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2ayz h SER 846 CO 0.04 0.48 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.49 2ayz h LEU 847 N 0.30 0.42 0.00 5.07 3.38 -0.93 -3.48 115.31 120.08 2ayz h LEU 847 Ca 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ayz h LEU 847 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ayz h LEU 847 CO 0.03 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.12 2ayz n GLY 848 N 0.38 0.59 4.00 0.83 0.00 0.36 -5.06 105.19 106.29 2ayz n GLY 848 Ca -0.03 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 2.97 0.05 1.61 2.02 -1.09 -5.04 117.35 115.87 2ayz s TYR 849 Ca 0.00 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 2ayz s TYR 849 Cb 0.00 -2.19 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 2ayz s TYR 849 CO 0.00 -0.22 1.42 -0.65 -1.57 0.00 0.00 175.55 174.53 2ayz s GLN 850 N -4.27 4.29 -0.26 -0.62 -0.21 -0.97 -4.75 119.66 112.87 2ayz s GLN 850 Ca 0.50 2.04 -0.08 0.00 0.02 0.00 0.00 55.36 57.84 2ayz s GLN 850 Cb -0.10 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.44 2ayz s GLN 850 CO 0.32 -0.53 0.09 0.00 -2.12 0.00 0.00 175.29 173.05 2ayz s LYS 852 N 1.62 3.13 -0.11 0.00 3.01 0.22 -4.96 119.74 122.65 2ayz s LYS 852 Ca 0.06 -0.81 -0.21 0.00 -1.01 0.00 0.00 55.97 54.01 2ayz s LYS 852 Cb -0.16 -3.18 -0.04 0.00 -1.01 0.00 0.00 37.83 33.45 2ayz s LYS 852 CO 0.04 -0.35 0.59 0.95 0.51 0.00 0.00 175.35 177.09 2ayz s THR 853 N 1.46 5.11 0.19 2.17 -4.23 -1.26 -0.75 115.64 118.32 2ayz s THR 853 Ca 0.03 1.20 -0.19 0.00 -1.18 0.00 0.00 61.69 61.55 2ayz s THR 853 Cb -0.16 -3.93 0.04 0.00 1.34 0.00 0.00 72.50 69.78 2ayz s THR 853 CO -0.01 0.27 0.55 0.00 -0.54 0.00 0.00 174.62 174.89 2ayz s ALA 854 N 0.86 -1.10 -0.42 3.99 0.00 -0.99 -4.97 121.76 119.13 2ayz s ALA 854 Ca 0.31 -0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.28 2ayz s ALA 854 Cb -0.16 0.85 0.25 0.00 0.00 0.00 0.00 23.12 24.05 2ayz s ALA 854 CO 0.14 -0.81 0.65 0.27 0.00 0.00 0.00 175.76 176.01 2ayz n ASN 855 N -0.35 -0.88 0.00 0.00 6.94 -1.26 -2.07 115.26 117.63 2ayz n ASN 855 Ca -0.11 -2.90 0.00 0.00 -0.02 0.00 0.00 54.58 51.54 2ayz n ASN 855 Cb 0.63 0.21 0.00 0.00 -2.36 0.00 0.00 39.78 38.26 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 1.49 0.00 -0.09 0.53 2.03 -1.26 -4.70 116.55 114.55 2ayz n ASP 856 Ca 0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.37 2ayz n ASP 856 Cb 0.56 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.50 2.00 0.27 0.00 -1.93 -2.80 103.07 101.11 2ayz h GLY 857 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 2ayz h GLY 857 CO 0.00 0.31 -0.69 -0.39 0.00 0.00 0.00 176.54 175.76 2ayz h VAL 858 N 0.28 1.44 0.00 4.60 -1.51 -1.96 -2.70 116.25 116.41 2ayz h VAL 858 Ca 0.09 -2.42 -0.04 0.00 -1.23 0.00 0.00 66.70 63.09 2ayz h VAL 858 Cb 0.33 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 2ayz h VAL 858 CO 0.00 0.68 -0.21 -0.78 -1.23 0.00 0.00 177.57 176.04 2ayz h ASP 859 N 0.00 0.00 -0.74 4.19 3.58 -1.91 -0.84 116.42 120.69 2ayz h ASP 859 Ca -0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2ayz h ASP 859 Cb 1.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 2ayz h ASP 859 CO 0.09 0.21 0.43 0.00 -2.88 0.00 0.00 179.24 177.09 2ayz h ALA 860 N 1.79 1.34 -0.50 -0.78 0.00 -1.20 0.16 119.26 120.07 2ayz h ALA 860 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2ayz h ALA 860 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ayz h ALA 860 CO 0.03 0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 179.59 2ayz h LEU 861 N 1.04 1.01 0.27 0.00 -0.00 -1.20 -0.85 115.31 115.58 2ayz h LEU 861 Ca 0.27 -0.38 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 2ayz h LEU 861 Cb -0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.37 2ayz h LEU 861 CO -0.05 1.16 -0.18 -1.13 -0.00 0.00 0.00 178.44 178.25 2ayz h ASN 862 N 0.85 -0.45 0.20 -0.43 -1.24 -0.58 0.34 115.58 114.26 2ayz h ASN 862 Ca 0.12 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.07 2ayz h ASN 862 Cb 0.74 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 2ayz h ASN 862 CO 0.06 -0.28 -0.33 1.62 -1.29 0.00 0.00 177.43 177.21 2ayz h VAL 863 N -0.44 1.27 -0.80 2.57 3.04 -1.00 -2.08 116.25 118.82 2ayz h VAL 863 Ca -0.02 -1.30 -0.04 0.00 -1.01 0.00 0.00 66.70 64.32 2ayz h VAL 863 Cb 0.37 1.56 -0.04 0.00 -2.01 0.00 0.00 31.29 31.18 2ayz h VAL 863 CO 0.02 0.39 0.33 0.25 -1.01 0.00 0.00 177.57 177.54 2ayz h LEU 864 N 0.18 1.09 -1.22 3.16 7.12 -0.79 0.78 115.31 125.63 2ayz h LEU 864 Ca 0.02 -0.17 -0.07 0.00 0.13 0.00 0.00 57.88 57.79 2ayz h LEU 864 Cb 0.68 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2ayz h LEU 864 CO 0.05 0.96 -0.34 0.28 -0.13 0.00 0.00 178.44 179.27 2ayz h SER 865 N 1.16 0.00 0.11 1.25 0.02 -0.38 -3.21 113.55 112.51 2ayz h SER 865 Ca 0.27 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.04 2ayz h SER 865 Cb 0.20 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 2ayz h SER 865 CO -0.02 0.34 -0.80 0.11 -1.14 0.00 0.00 176.83 175.31 2ayz h LYS 866 N 0.00 0.23 -2.91 3.45 1.79 -0.79 -3.48 116.57 114.86 2ayz h LYS 866 Ca -0.00 -0.40 -0.12 0.00 -2.18 0.00 0.00 60.65 57.95 2ayz h LYS 866 Cb 0.72 0.15 -0.22 0.00 -1.58 0.00 0.00 32.23 31.30 2ayz h LYS 866 CO 0.04 1.19 -0.26 1.21 -1.08 0.00 0.00 179.45 180.56 2ayz s ASN 867 N -6.86 -0.28 -0.33 0.86 2.47 0.21 -5.10 114.94 105.90 2ayz s ASN 867 Ca -0.16 0.36 -0.29 0.00 0.42 0.00 0.00 52.86 53.19 2ayz s ASN 867 Cb 0.01 0.49 -0.00 0.00 -1.45 0.00 0.00 41.25 40.29 2ayz s ASN 867 CO 0.79 -0.34 1.48 -2.28 -3.72 0.00 0.00 177.10 173.03 2ayz s HIS 868 N -0.76 2.33 0.04 0.43 5.65 -1.26 -4.13 115.29 117.59 2ayz s HIS 868 Ca -0.08 0.69 -0.07 0.00 0.25 0.00 0.00 55.06 55.84 2ayz s HIS 868 Cb -0.04 -4.11 -0.05 0.00 -1.18 0.00 0.00 32.58 27.20 2ayz s HIS 868 CO 0.03 -2.26 0.31 0.42 -0.65 0.00 0.00 174.74 172.60 2ayz s ILE 869 N 5.31 5.23 -0.18 0.89 1.09 -1.26 -4.93 121.20 127.35 2ayz s ILE 869 Ca 0.65 0.22 -0.17 0.00 -1.10 0.00 0.00 60.65 60.25 2ayz s ILE 869 Cb -0.18 -3.60 -0.21 0.00 -1.06 0.00 0.00 42.46 37.41 2ayz s ILE 869 CO 0.30 0.31 0.25 0.47 -0.10 0.00 0.00 174.94 176.16 2ayz n ASP 870 N 0.94 1.94 -4.10 3.58 8.00 -0.43 -4.85 116.55 121.63 2ayz n ASP 870 Ca -0.09 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 2ayz n ASP 870 Cb 0.52 -0.94 -0.16 0.00 -0.02 0.00 0.00 41.12 40.52 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 -2.42 1.82 -0.17 0.53 -1.09 -1.02 -4.10 121.20 114.75 2ayz s ILE 871 Ca -0.27 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.32 2ayz s ILE 871 Cb 0.06 -1.65 -0.01 0.00 -1.58 0.00 0.00 42.46 39.29 2ayz s ILE 871 CO 0.64 0.50 -0.11 -0.69 -1.23 0.00 0.00 174.94 174.06 2ayz s VAL 872 N 1.12 3.04 -0.28 2.92 1.01 -1.11 -0.76 120.40 126.34 2ayz s VAL 872 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2ayz s VAL 872 Cb -0.14 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.99 2ayz s VAL 872 CO -0.06 0.49 -0.04 -1.48 0.00 0.00 0.00 175.10 174.01 2ayz s LEU 873 N 0.92 3.65 -0.36 3.92 0.05 -0.82 -0.48 118.68 125.56 2ayz s LEU 873 Ca -0.02 -1.62 -0.16 0.00 0.05 0.00 0.00 54.13 52.38 2ayz s LEU 873 Cb -0.15 -1.47 -0.00 0.00 -2.05 0.00 0.00 46.19 42.52 2ayz s LEU 873 CO -0.00 -0.27 0.40 -0.94 -0.55 0.00 0.00 176.35 174.98 2ayz s SER 874 N 1.12 6.20 -0.26 1.48 1.04 -0.82 -2.22 113.70 120.23 2ayz s SER 874 Ca -0.01 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.04 2ayz s SER 874 Cb -0.19 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 2ayz s SER 874 CO -0.07 -0.40 0.13 -0.62 0.98 0.00 0.00 173.24 173.25 2ayz s ASP 875 N 1.75 5.59 -0.16 7.02 2.15 0.56 -0.78 116.67 132.81 2ayz s ASP 875 Ca 0.13 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.01 2ayz s ASP 875 Cb -0.16 -2.02 0.03 0.00 -0.30 0.00 0.00 42.92 40.46 2ayz s ASP 875 CO 0.12 -0.04 -0.12 0.68 -0.17 0.00 0.00 175.17 175.64 2ayz s VAL 876 N 1.68 1.48 -0.53 1.11 -7.23 -0.05 -1.04 120.40 115.83 2ayz s VAL 876 Ca 0.07 -0.67 0.20 0.00 -1.81 0.00 0.00 61.98 59.76 2ayz s VAL 876 Cb -0.16 -1.46 -0.25 0.00 0.56 0.00 0.00 36.38 35.07 2ayz s VAL 876 CO 0.07 0.35 0.66 -3.20 -0.31 0.00 0.00 175.10 172.68 2ayz n ASN 877 N 4.78 0.70 -4.57 4.85 5.15 -1.26 -1.47 115.26 123.45 2ayz n ASN 877 Ca -0.15 -0.54 -0.43 0.00 -0.60 0.00 0.00 54.58 52.85 2ayz n ASN 877 Cb 0.49 1.40 -0.04 0.00 -0.53 0.00 0.00 39.78 41.10 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 -3.08 3.56 -1.40 1.20 1.75 -1.26 -4.87 119.30 115.20 2ayz s MET 878 Ca 0.01 0.22 -0.12 0.00 -1.25 0.00 0.00 55.69 54.55 2ayz s MET 878 Cb 0.14 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.84 2ayz s MET 878 CO 0.81 -1.27 2.46 -2.30 -0.65 0.00 0.00 175.02 174.08 2ayz n PRO 879 N 7.31 2.96 -2.77 4.11 -0.02 -1.26 -4.83 135.00 140.50 2ayz n PRO 879 Ca 0.07 -2.25 -0.17 0.00 -2.02 0.00 0.00 63.50 59.13 2ayz n PRO 879 Cb 0.49 -2.98 0.05 0.00 -0.02 0.00 0.00 33.50 31.04 2ayz n PRO 879 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2ayz n ASN 880 N 5.10 1.87 -1.31 2.55 5.15 -1.26 -4.98 115.26 122.39 2ayz n ASN 880 Ca 0.61 -2.34 -0.06 0.00 -0.60 0.00 0.00 54.58 52.19 2ayz n ASN 880 Cb 0.30 -0.33 0.04 0.00 -0.53 0.00 0.00 39.78 39.27 2ayz n ASN 880 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2ayz n MET 881 N -2.02 1.30 -0.04 1.20 2.81 -1.26 -3.52 117.12 115.59 2ayz n MET 881 Ca 0.12 -0.73 0.02 0.00 -1.81 0.00 0.00 57.70 55.30 2ayz n MET 881 Cb 0.51 -1.29 -0.13 0.00 -0.71 0.00 0.00 33.22 31.61 2ayz n MET 881 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2ayz n ASP 882 N 0.12 1.16 -4.63 7.83 8.00 -1.26 -4.75 116.55 123.01 2ayz n ASP 882 Ca 0.14 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 2ayz n ASP 882 Cb 0.78 1.39 0.06 0.00 -0.02 0.00 0.00 41.12 43.33 2ayz n ASP 882 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ayz n GLY 883 N 1.76 -0.19 5.00 0.44 0.00 -1.23 -1.62 105.19 109.34 2ayz n GLY 883 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.91 0.00 0.25 1.61 0.18 -1.26 -4.52 117.16 111.52 2ayz n TYR 884 Ca 0.14 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.05 2ayz n TYR 884 Cb 0.48 0.00 0.79 0.00 -0.38 0.00 0.00 39.34 40.23 2ayz n TYR 884 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 2ayz h ARG 885 N 0.00 0.00 0.00 -3.48 1.12 -1.70 -0.72 114.38 109.60 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 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2ayz h ARG 885 CO 0.00 0.00 -0.41 1.37 -3.11 0.00 0.00 179.97 177.82 2ayz h LEU 886 N 0.00 0.00 0.00 3.80 8.10 -1.54 -1.17 115.31 124.51 2ayz h LEU 886 Ca 0.03 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.90 2ayz h LEU 886 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 2ayz h LEU 886 CO -0.00 0.41 -0.89 0.74 -4.11 0.00 0.00 178.44 174.60 2ayz h THR 887 N 0.00 0.61 -0.99 0.15 2.02 -1.42 -2.84 112.91 110.44 2ayz h THR 887 Ca -0.00 -1.97 0.08 0.00 0.77 0.00 0.00 66.41 65.28 2ayz h THR 887 Cb 0.96 2.17 -0.07 0.00 -1.74 0.00 0.00 68.15 69.47 2ayz h THR 887 CO 0.05 0.35 0.64 -0.61 0.37 0.00 0.00 175.52 176.32 2ayz h GLN 888 N 0.00 1.09 -0.64 6.66 -0.00 -0.96 0.13 115.11 121.39 2ayz h GLN 888 Ca -0.07 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.55 2ayz h GLN 888 Cb 1.41 -0.25 -0.04 0.00 0.00 0.00 0.00 27.48 28.61 2ayz h GLN 888 CO 0.05 0.72 0.39 -0.09 0.00 0.00 0.00 178.83 179.90 2ayz h ARG 889 N 1.12 0.74 -0.91 1.69 1.12 -1.23 0.25 114.38 117.16 2ayz h ARG 889 Ca 0.44 -0.04 0.13 0.00 -1.11 0.00 0.00 59.98 59.39 2ayz h ARG 889 Cb 0.23 -0.17 -0.09 0.00 -0.01 0.00 0.00 29.97 29.94 2ayz h ARG 889 CO -0.18 0.49 0.54 0.82 -3.11 0.00 0.00 179.97 178.52 2ayz h ILE 890 N 0.76 0.85 -0.37 1.20 2.04 -0.66 -1.44 117.51 119.89 2ayz h ILE 890 Ca 0.26 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 2ayz h ILE 890 Cb 0.04 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2ayz h ILE 890 CO -0.12 0.15 -0.32 -0.09 0.00 0.00 0.00 178.15 177.77 2ayz h ARG 891 N 0.82 0.83 -1.00 2.37 2.43 -0.01 -0.36 114.38 119.46 2ayz h ARG 891 Ca 0.47 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2ayz h ARG 891 Cb 0.54 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 2ayz h ARG 891 CO -0.30 1.03 0.66 1.96 -1.51 0.00 0.00 179.97 181.81 2ayz h GLN 892 N 0.70 1.24 -0.01 0.20 4.20 -0.04 -2.82 115.11 118.57 2ayz h GLN 892 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2ayz h GLN 892 Cb 0.88 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2ayz h GLN 892 CO 0.08 0.82 -0.04 1.25 -0.67 0.00 0.00 178.83 180.27 2ayz h LEU 893 N 1.28 0.05 0.00 1.46 5.85 -1.07 -3.50 115.31 119.38 2ayz h LEU 893 Ca 0.40 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2ayz h LEU 893 Cb -0.01 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2ayz h LEU 893 CO -0.12 0.66 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 2ayz n GLY 894 N 0.59 0.45 3.89 3.75 0.00 -0.16 -5.11 105.19 108.58 2ayz n GLY 894 Ca -0.09 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 3.90 -0.03 0.99 1.43 -1.23 -4.98 118.68 118.76 2ayz s LEU 895 Ca 0.00 0.97 0.05 0.00 -1.03 0.00 0.00 54.13 54.11 2ayz s LEU 895 Cb 0.00 -3.83 0.07 0.00 0.03 0.00 0.00 46.19 42.46 2ayz s LEU 895 CO 0.00 -0.33 0.95 1.07 0.23 0.00 0.00 176.35 178.27 2ayz n THR 896 N -1.22 0.97 -4.10 5.49 5.66 -1.26 -5.06 114.28 114.75 2ayz n THR 896 Ca 0.01 -1.06 -0.08 0.00 -3.05 0.00 0.00 64.05 59.87 2ayz n THR 896 Cb 0.54 0.41 -0.10 0.00 -1.55 0.00 0.00 70.33 69.63 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 -1.20 2.49 0.21 1.09 2.34 -1.26 -5.14 118.68 117.20 2ayz s LEU 897 Ca 0.08 -0.99 -0.29 0.00 0.06 0.00 0.00 54.13 52.99 2ayz s LEU 897 Cb 0.07 0.14 -0.08 0.00 -0.56 0.00 0.00 46.19 45.76 2ayz s LEU 897 CO 0.01 -0.56 0.92 -2.84 -1.06 0.00 0.00 176.35 172.81 2ayz s PRO 898 N -3.82 4.79 -0.20 1.48 0.02 -1.26 -4.98 135.00 131.02 2ayz s PRO 898 Ca 0.07 1.43 -0.03 0.00 0.02 0.00 0.00 61.00 62.49 2ayz s PRO 898 Cb 0.07 -3.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 2ayz s PRO 898 CO -0.09 0.47 -0.07 0.08 -0.33 0.00 0.00 177.00 177.07 2ayz s VAL 899 N -0.96 3.25 -0.37 3.83 1.01 -1.08 -2.73 120.40 123.34 2ayz s VAL 899 Ca 0.41 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 2ayz s VAL 899 Cb -0.25 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2ayz s VAL 899 CO 0.31 0.45 0.25 -0.63 0.00 0.00 0.00 175.10 175.48 2ayz s ILE 900 N 1.20 5.13 -0.54 2.22 1.01 0.36 -1.04 121.20 129.54 2ayz s ILE 900 Ca 0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 2ayz s ILE 900 Cb -0.14 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.64 2ayz s ILE 900 CO -0.02 -0.14 0.76 -0.83 0.00 0.00 0.00 174.94 174.71 2ayz s GLY 901 N 1.68 1.63 -0.90 6.18 0.00 -0.04 -1.95 107.32 113.92 2ayz s GLY 901 Ca 0.05 -1.66 -0.25 0.00 0.00 0.00 0.00 44.72 42.86 2ayz s GLY 901 CO 0.09 1.71 1.40 0.14 0.00 0.00 0.00 173.10 176.44 2ayz s VAL 902 N 3.17 3.82 -0.15 1.40 1.01 0.04 -0.68 120.40 129.00 2ayz s VAL 902 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2ayz s VAL 902 Cb -0.18 -4.96 -0.03 0.00 0.00 0.00 0.00 36.38 31.21 2ayz s VAL 902 CO 0.13 -1.87 -0.02 0.42 0.00 0.00 0.00 175.10 173.77 2ayz s THR 903 N 5.46 4.09 -0.11 3.92 -4.23 -0.19 -0.87 115.64 123.72 2ayz s THR 903 Ca 0.42 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 2ayz s THR 903 Cb -0.04 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2ayz s THR 903 CO 0.01 0.50 -0.22 0.00 -0.54 0.00 0.00 174.62 174.37 2ayz s ALA 904 N 0.24 2.25 -1.50 3.99 0.00 -0.54 -3.58 121.76 122.63 2ayz s ALA 904 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2ayz s ALA 904 Cb -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2ayz s ALA 904 CO 0.02 0.21 0.00 -1.71 0.00 0.00 0.00 175.76 174.28 2ayz n ASN 905 N 3.65 -4.72 -4.07 0.00 2.85 -1.26 -4.58 115.26 107.13 2ayz n ASN 905 Ca -0.19 0.27 -0.35 0.00 -0.11 0.00 0.00 54.58 54.19 2ayz n ASN 905 Cb 0.53 -3.62 -0.10 0.00 1.24 0.00 0.00 39.78 37.83 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 -2.60 3.52 0.68 5.20 0.00 -1.26 -4.85 121.76 122.44 2ayz s ALA 906 Ca 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 51.96 48.66 2ayz s ALA 906 Cb 0.00 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 20.60 2ayz s ALA 906 CO 0.00 -2.08 0.99 -0.51 0.00 0.00 0.00 175.76 174.17 2ayz s LEU 907 N -0.05 2.91 -1.54 0.00 1.43 -1.26 -4.12 118.68 116.05 2ayz s LEU 907 Ca 0.17 0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 2ayz s LEU 907 Cb -0.21 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2ayz s LEU 907 CO -0.03 -1.47 0.47 0.00 0.23 0.00 0.00 176.35 175.55 2ayz n ALA 908 N -2.85 -0.86 0.20 4.21 0.00 -1.26 -4.89 120.51 115.06 2ayz n ALA 908 Ca 0.07 0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.83 2ayz n ALA 908 Cb 0.60 -3.44 0.39 0.00 0.00 0.00 0.00 19.45 16.99 2ayz n ALA 908 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ayz h GLU 909 N -1.07 0.00 -0.10 0.00 9.09 -1.98 0.59 114.58 121.10 2ayz h GLU 909 Ca -0.50 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.89 2ayz h GLU 909 Cb 1.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.45 2ayz h GLU 909 CO 0.55 0.34 -0.01 0.93 0.05 0.00 0.00 179.01 180.87 2ayz h GLU 910 N 0.00 0.18 -0.28 1.06 5.08 -1.93 0.62 114.58 119.32 2ayz h GLU 910 Ca -0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2ayz h GLU 910 Cb 0.81 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2ayz h GLU 910 CO 0.04 0.46 -0.27 -0.22 -1.00 0.00 0.00 179.01 178.03 2ayz h LYS 911 N -0.12 0.55 -0.32 2.33 3.64 -1.87 -2.59 116.57 118.18 2ayz h LYS 911 Ca 0.03 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 2ayz h LYS 911 Cb 0.39 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2ayz h LYS 911 CO 0.01 0.77 -0.32 1.96 -2.27 0.00 0.00 179.45 179.59 2ayz h GLN 912 N 0.48 0.69 -0.14 1.90 7.50 -0.79 -1.03 115.11 123.72 2ayz h GLN 912 Ca 0.07 -0.31 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 2ayz h GLN 912 Cb 0.72 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.23 2ayz h GLN 912 CO 0.05 0.92 0.01 -0.09 -1.50 0.00 0.00 178.83 178.22 2ayz h ARG 913 N 0.58 0.20 0.01 1.46 1.12 -0.60 0.14 114.38 117.29 2ayz h ARG 913 Ca 0.07 -0.02 -0.22 0.00 -1.11 0.00 0.00 59.98 58.69 2ayz h ARG 913 Cb 0.83 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.75 2ayz h ARG 913 CO 0.07 0.21 -0.94 0.00 -3.11 0.00 0.00 179.97 176.20 2ayz h LEU 915 N 0.18 -0.09 -0.22 0.00 4.07 0.15 -3.29 115.31 116.11 2ayz h LEU 915 Ca -0.07 -0.46 -0.20 0.00 0.08 0.00 0.00 57.88 57.23 2ayz h LEU 915 Cb 1.58 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.33 2ayz h LEU 915 CO 0.16 0.44 -0.92 1.05 -1.08 0.00 0.00 178.44 178.09 2ayz h GLU 916 N -0.68 0.12 -6.16 1.13 9.09 -0.93 -3.48 114.58 113.67 2ayz h GLU 916 Ca -0.01 -0.14 -0.43 0.00 0.05 0.00 0.00 59.36 58.83 2ayz h GLU 916 Cb 0.54 0.05 0.04 0.00 -1.65 0.00 0.00 28.75 27.73 2ayz h GLU 916 CO 0.02 0.95 -0.86 0.43 0.05 0.00 0.00 179.01 179.60 2ayz n SER 917 N -3.57 -1.69 0.00 3.06 7.64 -0.57 -3.99 113.62 114.50 2ayz n SER 917 Ca -0.03 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2ayz n SER 917 Cb 0.84 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 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 -1.65 1.00 0.00 0.23 0.00 -1.26 -4.69 105.19 98.82 2ayz n GLY 918 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.00 0.00 1.61 1.56 -1.26 -4.26 117.12 114.77 2ayz n MET 919 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2ayz n MET 919 Cb 0.18 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.55 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 -3.85 6.12 -0.08 -0.20 -2.65 116.55 115.89 2ayz n ASP 920 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2ayz n ASP 920 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayz s SER 921 N 0.00 -0.07 -0.09 1.67 0.01 -1.08 -5.02 113.70 109.12 2ayz s SER 921 Ca 0.00 0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.35 2ayz s SER 921 Cb 0.00 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 2ayz s SER 921 CO 0.00 -0.04 0.04 0.00 0.41 0.00 0.00 173.24 173.65 2ayz n LEU 923 N 2.06 0.00 -4.80 0.00 4.77 0.14 -4.92 117.00 114.25 2ayz n LEU 923 Ca -0.19 -3.15 -0.23 0.00 -0.03 0.00 0.00 56.01 52.41 2ayz n LEU 923 Cb 0.54 1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 42.91 2ayz n LEU 923 CO 0.29 -0.50 -0.19 -0.44 -1.33 0.00 0.00 177.39 175.21 2ayz s SER 924 N -3.43 5.42 0.18 -1.43 0.01 -1.26 -1.02 113.70 112.16 2ayz s SER 924 Ca 0.30 -0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 2ayz s SER 924 Cb 0.01 -1.35 0.16 0.00 0.21 0.00 0.00 66.02 65.05 2ayz s SER 924 CO 0.21 -0.01 1.68 0.50 0.41 0.00 0.00 173.24 176.03 2ayz h LYS 925 N 1.72 0.09 -4.34 12.44 1.63 -1.84 -3.23 116.57 123.05 2ayz h LYS 925 Ca -0.48 -0.01 -0.67 0.00 -0.85 0.00 0.00 60.65 58.65 2ayz h LYS 925 Cb 1.23 -0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.86 2ayz h LYS 925 CO 0.61 0.06 2.54 -2.30 -3.45 0.00 0.00 179.45 176.92 2ayz n PRO 926 N -5.23 1.90 -2.75 1.90 -0.02 -1.26 -4.91 135.00 124.62 2ayz n PRO 926 Ca 0.04 -2.06 -0.43 0.00 -2.02 0.00 0.00 63.50 59.03 2ayz n PRO 926 Cb 0.25 -3.03 -0.03 0.00 -0.02 0.00 0.00 33.50 30.67 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 4.48 4.66 0.55 -1.45 -7.23 -1.22 -5.04 120.40 115.15 2ayz s VAL 927 Ca 0.54 1.66 -0.13 0.00 -1.81 0.00 0.00 61.98 62.24 2ayz s VAL 927 Cb 0.14 -4.29 -0.06 0.00 0.56 0.00 0.00 36.38 32.74 2ayz s VAL 927 CO 0.06 -0.30 0.97 0.42 -0.31 0.00 0.00 175.10 175.94 2ayz s THR 928 N 3.27 4.66 0.20 5.32 -4.23 -1.26 -4.89 115.64 118.72 2ayz s THR 928 Ca 0.41 0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 61.75 2ayz s THR 928 Cb -0.14 -3.80 0.13 0.00 1.34 0.00 0.00 72.50 70.03 2ayz s THR 928 CO 0.11 -0.90 1.73 0.25 -0.54 0.00 0.00 174.62 175.27 2ayz h LEU 929 N 0.32 0.11 -0.57 4.79 7.12 -1.98 -0.16 115.31 124.94 2ayz h LEU 929 Ca -0.46 0.09 -0.12 0.00 0.13 0.00 0.00 57.88 57.53 2ayz h LEU 929 Cb 1.19 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.40 2ayz h LEU 929 CO 0.62 0.08 -0.55 -0.78 -0.13 0.00 0.00 178.44 177.68 2ayz h ASP 930 N 0.32 0.00 -0.11 1.25 1.82 -1.98 0.61 116.42 118.34 2ayz h ASP 930 Ca 0.28 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.89 2ayz h ASP 930 Cb 0.37 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 2ayz h ASP 930 CO -0.32 0.55 -0.06 0.58 -1.61 0.00 0.00 179.24 178.37 2ayz h VAL 931 N 0.00 1.33 0.00 2.25 2.07 -1.76 -2.36 116.25 117.79 2ayz h VAL 931 Ca -0.01 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2ayz h VAL 931 Cb 1.17 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2ayz h VAL 931 CO 0.07 0.32 -0.06 -0.29 0.02 0.00 0.00 177.57 177.63 2ayz h ILE 932 N -0.13 0.19 -0.30 4.57 2.10 -0.94 -2.84 117.51 120.16 2ayz h ILE 932 Ca 0.02 -0.58 -0.10 0.00 1.08 0.00 0.00 64.86 65.28 2ayz h ILE 932 Cb 0.53 1.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 2ayz h ILE 932 CO 0.02 0.06 -0.20 0.50 -1.08 0.00 0.00 178.15 177.45 2ayz h LYS 933 N 0.00 0.66 -0.38 2.19 3.64 -0.53 0.12 116.57 122.27 2ayz h LYS 933 Ca -0.00 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2ayz h LYS 933 Cb 0.48 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2ayz h LYS 933 CO 0.01 0.91 -0.15 -0.56 -2.27 0.00 0.00 179.45 177.39 2ayz h GLN 934 N 0.41 0.78 -0.20 1.90 3.07 -1.21 -0.10 115.11 119.76 2ayz h GLN 934 Ca 0.06 -0.33 -0.01 0.00 0.09 0.00 0.00 58.65 58.46 2ayz h GLN 934 Cb 0.74 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.26 2ayz h GLN 934 CO 0.05 0.94 0.09 1.15 0.09 0.00 0.00 178.83 181.15 2ayz h THR 935 N 0.58 1.15 -0.01 1.86 2.02 -1.48 -0.56 112.91 116.48 2ayz h THR 935 Ca 0.09 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2ayz h THR 935 Cb 0.69 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2ayz h THR 935 CO 0.05 0.15 0.00 -0.07 0.37 0.00 0.00 175.52 176.02 2ayz h LEU 936 N 0.18 0.01 -0.50 2.58 -0.00 -0.69 -0.27 115.31 116.62 2ayz h LEU 936 Ca 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 2ayz h LEU 936 Cb 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2ayz h LEU 936 CO -0.01 0.06 0.24 0.74 -0.00 0.00 0.00 178.44 179.47 2ayz h THR 937 N -0.04 1.19 -0.57 0.22 2.02 -0.97 0.89 112.91 115.65 2ayz h THR 937 Ca 0.00 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 2ayz h THR 937 Cb 0.05 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2ayz h THR 937 CO -0.00 0.21 0.00 0.25 0.37 0.00 0.00 175.52 176.35 2ayz h LEU 938 N 0.66 0.95 -0.19 2.58 5.85 -0.97 -2.13 115.31 122.05 2ayz h LEU 938 Ca 0.17 -0.26 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 2ayz h LEU 938 Cb 0.11 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2ayz h LEU 938 CO -0.02 1.00 -0.54 1.88 -0.34 0.00 0.00 178.44 180.42 2ayz h TYR 939 N 0.90 0.92 -0.86 1.25 -1.99 -0.76 -2.43 116.97 114.00 2ayz h TYR 939 Ca 0.17 -0.36 -0.01 0.00 2.00 0.00 0.00 58.73 60.52 2ayz h TYR 939 Cb 0.52 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 2ayz h TYR 939 CO 0.03 1.16 0.48 0.00 -0.00 0.00 0.00 178.16 179.83 2ayz h ALA 940 N 0.58 1.09 -0.42 3.88 0.00 -0.71 -0.20 119.26 123.49 2ayz h ALA 940 Ca -0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2ayz h ALA 940 Cb 1.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ayz h ALA 940 CO 0.12 0.59 -0.29 1.05 0.00 0.00 0.00 179.25 180.72 2ayz h GLU 941 N 1.19 0.90 -0.45 0.00 -0.00 -1.40 -1.93 114.58 112.89 2ayz h GLU 941 Ca 0.30 -0.41 -0.12 0.00 -0.00 0.00 0.00 59.36 59.13 2ayz h GLU 941 Cb 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.73 2ayz h GLU 941 CO -0.05 1.06 -0.19 -0.09 -0.00 0.00 0.00 179.01 179.75 2ayz h ARG 942 N 0.76 0.92 -0.00 1.06 2.43 -0.88 -0.36 114.38 118.31 2ayz h ARG 942 Ca 0.09 -0.39 -0.14 0.00 -0.81 0.00 0.00 59.98 58.72 2ayz h ARG 942 Cb 0.85 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2ayz h ARG 942 CO 0.07 1.05 -0.67 -0.39 -1.51 0.00 0.00 179.97 178.52 2ayz h VAL 943 N 0.76 1.47 -0.62 0.20 -1.51 -1.08 -0.08 116.25 115.40 2ayz h VAL 943 Ca 0.10 -2.28 -0.04 0.00 -1.23 0.00 0.00 66.70 63.26 2ayz h VAL 943 Cb 0.75 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 32.11 2ayz h VAL 943 CO 0.06 0.65 0.24 -0.09 -1.23 0.00 0.00 177.57 177.20 2ayz h ARG 944 N 0.02 0.94 -0.43 5.19 2.43 -0.98 -0.62 114.38 120.92 2ayz h ARG 944 Ca -0.01 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 2ayz h ARG 944 Cb 1.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2ayz h ARG 944 CO 0.09 0.81 0.09 0.87 -1.51 0.00 0.00 179.97 180.31 2ayz h LYS 945 N 0.88 0.70 0.00 0.20 1.79 -0.80 -1.91 116.57 117.43 2ayz h LYS 945 Ca 0.21 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2ayz h LYS 945 Cb 0.23 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2ayz h LYS 945 CO -0.01 0.73 0.00 0.77 -1.08 0.00 0.00 179.45 179.85 2ayz h SER 946 N 0.57 0.00 0.34 0.86 0.02 -0.65 0.17 113.55 114.86 2ayz h SER 946 Ca 0.13 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.77 2ayz h SER 946 Cb 0.35 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2ayz h SER 946 CO 0.01 0.00 -1.91 -1.14 -1.14 0.00 0.00 176.83 172.65 2ayz n ARG 947 N -2.69 0.65 -0.04 3.45 0.63 -0.27 -4.52 116.66 113.87 2ayz n ARG 947 Ca -0.01 0.21 -0.19 0.00 -0.92 0.00 0.00 57.85 56.95 2ayz n ARG 947 Cb 0.14 -1.72 -0.13 0.00 0.45 0.00 0.00 32.46 31.20 2ayz n ARG 947 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2ayz n ASP 948 N -2.98 1.89 0.00 6.15 2.03 -0.76 -5.10 116.55 117.78 2ayz n ASP 948 Ca -0.22 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2ayz n ASP 948 Cb 1.08 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08