#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 3.65 -0.49 7.82 0.00 -1.26 -5.05 121.76 126.43 2ayz s ALA 818 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2ayz s ALA 818 Cb 0.00 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.78 2ayz s ALA 818 CO 0.00 0.29 0.71 0.08 0.00 0.00 0.00 175.76 176.84 2ayz s VAL 819 N -0.28 4.74 -1.35 0.00 1.01 -1.26 -4.97 120.40 118.30 2ayz s VAL 819 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2ayz s VAL 819 Cb -0.15 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.03 2ayz s VAL 819 CO 0.09 -0.78 2.17 -1.20 0.00 0.00 0.00 175.10 175.37 2ayz n SER 820 N 6.50 6.07 -4.73 3.32 7.64 -1.26 -4.93 113.62 126.23 2ayz n SER 820 Ca -0.02 -3.03 -0.23 0.00 1.01 0.00 0.00 58.87 56.60 2ayz n SER 820 Cb 0.47 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 2ayz n SER 820 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayz s ASP 821 N 1.16 4.72 0.14 6.43 -1.08 -1.26 -5.04 116.67 121.74 2ayz s ASP 821 Ca 0.47 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 2ayz s ASP 821 Cb 0.13 -0.78 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 2ayz s ASP 821 CO -0.04 -0.25 0.00 -3.20 0.52 0.00 0.00 175.17 172.20 2ayz n ASN 822 N -1.13 -0.68 0.00 -0.34 5.15 -1.26 -5.06 115.26 111.94 2ayz n ASN 822 Ca -0.04 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 2ayz n ASN 822 Cb 0.61 0.81 0.00 0.00 -0.53 0.00 0.00 39.78 40.67 2ayz n ASN 822 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2ayz n ASP 823 N -2.86 0.00 0.00 1.20 5.75 -1.26 -5.06 116.55 114.32 2ayz n ASP 823 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2ayz n ASP 823 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2ayz n ASP 823 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2ayz n ASP 824 N -0.47 0.00 -3.69 -1.12 2.03 -1.26 -4.50 116.55 107.55 2ayz n ASP 824 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 2ayz n ASP 824 Cb 0.00 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.00 0.34 -0.43 -0.67 1.75 -1.26 -5.10 119.30 113.93 2ayz s MET 825 Ca 0.00 -0.12 -0.18 0.00 -1.25 0.00 0.00 55.69 54.14 2ayz s MET 825 Cb 0.00 -1.65 0.03 0.00 2.84 0.00 0.00 34.83 36.05 2ayz s MET 825 CO 0.00 -0.56 0.48 0.00 -0.65 0.00 0.00 175.02 174.28 2ayz s MET 826 N 2.02 3.12 0.01 4.11 0.23 -1.26 -2.17 119.30 125.35 2ayz s MET 826 Ca 0.02 -0.73 0.01 0.00 -1.03 0.00 0.00 55.69 53.96 2ayz s MET 826 Cb -0.15 -3.98 -0.04 0.00 -1.53 0.00 0.00 34.83 29.13 2ayz s MET 826 CO -0.07 -0.90 0.04 0.42 -2.03 0.00 0.00 175.02 172.48 2ayz s ILE 827 N 2.25 4.44 -0.43 3.16 -1.09 0.14 -0.90 121.20 128.77 2ayz s ILE 827 Ca 0.14 -0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.88 2ayz s ILE 827 Cb -0.17 -3.02 0.05 0.00 -1.58 0.00 0.00 42.46 37.74 2ayz s ILE 827 CO 0.14 0.34 0.33 -0.22 -1.23 0.00 0.00 174.94 174.30 2ayz s LEU 828 N -1.72 5.30 -0.57 2.97 2.96 -0.21 -1.04 118.68 126.37 2ayz s LEU 828 Ca 0.22 -1.15 -0.19 0.00 -0.22 0.00 0.00 54.13 52.79 2ayz s LEU 828 Cb -0.12 -2.14 0.09 0.00 0.50 0.00 0.00 46.19 44.52 2ayz s LEU 828 CO 0.13 -0.54 0.70 0.68 -1.32 0.00 0.00 176.35 176.00 2ayz s VAL 829 N 1.63 4.80 -0.01 1.68 -7.23 0.07 -1.05 120.40 120.28 2ayz s VAL 829 Ca 0.04 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 2ayz s VAL 829 Cb -0.22 -4.45 -0.03 0.00 0.56 0.00 0.00 36.38 32.24 2ayz s VAL 829 CO 0.08 -1.06 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.05 2ayz s VAL 830 N 2.77 3.69 -0.07 1.32 1.01 -0.10 -1.69 120.40 127.33 2ayz s VAL 830 Ca 0.13 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2ayz s VAL 830 Cb -0.22 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.62 2ayz s VAL 830 CO 0.08 0.44 0.44 -0.62 0.00 0.00 0.00 175.10 175.45 2ayz s ASP 831 N -1.28 -0.39 0.60 3.32 2.15 -0.93 -0.69 116.67 119.44 2ayz s ASP 831 Ca 0.16 0.49 0.38 0.00 0.43 0.00 0.00 52.55 54.00 2ayz s ASP 831 Cb -0.11 0.55 1.86 0.00 -0.30 0.00 0.00 42.92 44.93 2ayz s ASP 831 CO 0.06 -0.40 2.18 -2.24 -0.17 0.00 0.00 175.17 174.60 2ayz h ASP 832 N 4.10 0.00 -4.30 -0.34 2.03 -1.48 -3.35 116.42 113.08 2ayz h ASP 832 Ca -0.28 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.60 2ayz h ASP 832 Cb 1.17 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.57 2ayz h ASP 832 CO 0.34 0.02 -0.36 0.00 -1.03 0.00 0.00 179.24 178.22 2ayz n HIS 833 N -3.19 0.03 0.07 4.15 1.44 -1.26 -4.88 115.22 111.58 2ayz n HIS 833 Ca -0.01 -2.01 -0.04 0.00 -2.01 0.00 0.00 57.72 53.64 2ayz n HIS 833 Cb 0.19 0.02 -0.08 0.00 0.12 0.00 0.00 29.99 30.23 2ayz n HIS 833 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2ayz h PRO 834 N 0.00 0.00 -0.16 -1.40 0.11 -1.98 -3.34 132.00 125.23 2ayz h PRO 834 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 2ayz h PRO 834 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2ayz h PRO 834 CO 0.37 0.76 0.07 0.97 -0.21 0.00 0.00 178.00 179.96 2ayz h ILE 835 N 0.00 1.15 0.00 4.15 2.10 -1.97 -0.42 117.51 122.51 2ayz h ILE 835 Ca -0.06 -0.43 -0.07 0.00 1.08 0.00 0.00 64.86 65.38 2ayz h ILE 835 Cb 1.69 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.55 2ayz h ILE 835 CO 0.10 0.14 -0.56 -1.13 -1.08 0.00 0.00 178.15 175.62 2ayz h ASN 836 N 0.11 0.00 0.10 2.19 -1.24 -1.98 -2.46 115.58 112.31 2ayz h ASN 836 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2ayz h ASN 836 Cb 0.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2ayz h ASN 836 CO -0.01 0.28 -0.10 -0.09 -1.29 0.00 0.00 177.43 176.23 2ayz h ARG 837 N 0.00 -0.22 0.00 6.67 2.43 -1.61 0.85 114.38 122.49 2ayz h ARG 837 Ca -0.03 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2ayz h ARG 837 Cb 1.24 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2ayz h ARG 837 CO 0.03 -0.15 -0.48 0.07 -1.51 0.00 0.00 179.97 177.93 2ayz h ARG 838 N -0.23 0.00 -0.11 0.20 -0.00 -1.06 -0.47 114.38 112.70 2ayz h ARG 838 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.91 2ayz h ARG 838 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.19 2ayz h ARG 838 CO -0.03 0.48 -0.23 1.25 -0.00 0.00 0.00 179.97 181.44 2ayz h LEU 839 N 0.00 0.40 -0.54 0.08 6.46 -1.20 -0.14 115.31 120.37 2ayz h LEU 839 Ca -0.00 -0.56 -0.16 0.00 -0.12 0.00 0.00 57.88 57.04 2ayz h LEU 839 Cb 0.86 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2ayz h LEU 839 CO 0.06 0.89 -0.70 0.25 -0.62 0.00 0.00 178.44 178.32 2ayz h LEU 840 N -0.07 0.22 -1.03 2.25 5.85 -0.77 -1.86 115.31 119.89 2ayz h LEU 840 Ca 0.00 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 2ayz h LEU 840 Cb 0.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2ayz h LEU 840 CO 0.05 0.84 -0.39 0.00 -0.34 0.00 0.00 178.44 178.61 2ayz h ALA 841 N 1.15 1.07 -0.26 1.25 0.00 -1.12 -1.72 119.26 119.63 2ayz h ALA 841 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2ayz h ALA 841 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2ayz h ALA 841 CO 0.10 0.49 0.06 0.22 0.00 0.00 0.00 179.25 180.12 2ayz h ASP 842 N 0.00 0.40 -0.68 0.00 3.58 -0.43 -0.24 116.42 119.05 2ayz h ASP 842 Ca -0.00 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 2ayz h ASP 842 Cb 0.85 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.76 2ayz h ASP 842 CO 0.05 0.53 0.28 1.56 -2.88 0.00 0.00 179.24 178.78 2ayz h GLN 843 N 0.25 1.03 -0.09 0.28 7.50 -1.14 -1.41 115.11 121.54 2ayz h GLN 843 Ca 0.08 -0.17 -0.07 0.00 0.50 0.00 0.00 58.65 58.99 2ayz h GLN 843 Cb 0.29 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 2ayz h GLN 843 CO 0.00 0.84 -0.25 1.25 -1.50 0.00 0.00 178.83 179.17 2ayz h LEU 844 N 1.01 0.15 -1.17 1.46 5.85 -1.12 -2.08 115.31 119.41 2ayz h LEU 844 Ca 0.24 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2ayz h LEU 844 Cb 0.19 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2ayz h LEU 844 CO -0.02 0.41 0.11 1.23 -0.34 0.00 0.00 178.44 179.82 2ayz h GLY 845 N 0.90 0.74 1.46 3.75 0.00 0.05 0.22 103.07 110.20 2ayz h GLY 845 Ca 0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 2ayz h GLY 845 CO 0.04 0.38 -0.28 1.76 0.00 0.00 0.00 176.54 178.44 2ayz h SER 846 N 0.67 0.63 -0.09 0.19 0.02 -0.90 -3.11 113.55 110.96 2ayz h SER 846 Ca 0.15 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2ayz h SER 846 Cb 0.26 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2ayz h SER 846 CO -0.00 0.88 0.02 -0.07 -1.14 0.00 0.00 176.83 176.52 2ayz h LEU 847 N 0.53 0.14 0.00 5.07 -0.00 -0.71 -3.48 115.31 116.86 2ayz h LEU 847 Ca 0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2ayz h LEU 847 Cb 0.75 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2ayz h LEU 847 CO 0.06 0.35 0.00 0.61 -0.00 0.00 0.00 178.44 179.46 2ayz n GLY 848 N -0.46 1.32 3.37 0.83 0.00 0.71 -5.10 105.19 105.86 2ayz n GLY 848 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 1.88 0.01 1.61 2.02 -1.16 -5.03 117.35 114.67 2ayz s TYR 849 Ca 0.00 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 2ayz s TYR 849 Cb 0.00 -0.88 -0.06 0.00 -0.40 0.00 0.00 41.96 40.62 2ayz s TYR 849 CO 0.00 0.42 1.40 -0.65 -1.57 0.00 0.00 175.55 175.16 2ayz s GLN 850 N -3.29 4.28 -0.23 -0.62 -1.52 -0.92 -4.68 119.66 112.68 2ayz s GLN 850 Ca 0.21 1.98 -0.02 0.00 -1.95 0.00 0.00 55.36 55.58 2ayz s GLN 850 Cb -0.04 -3.56 0.01 0.00 -0.22 0.00 0.00 33.01 29.21 2ayz s GLN 850 CO 0.08 -0.57 -0.06 0.00 -0.25 0.00 0.00 175.29 174.49 2ayz s LYS 852 N 1.38 3.72 -0.39 0.00 3.01 -0.21 -4.91 119.74 122.34 2ayz s LYS 852 Ca 0.03 -0.47 -0.21 0.00 -1.01 0.00 0.00 55.97 54.31 2ayz s LYS 852 Cb -0.15 -3.59 0.01 0.00 -1.01 0.00 0.00 37.83 33.09 2ayz s LYS 852 CO -0.05 -0.26 0.65 0.99 0.51 0.00 0.00 175.35 177.20 2ayz s THR 853 N 1.70 4.85 0.24 2.17 2.01 -1.26 -0.75 115.64 124.60 2ayz s THR 853 Ca 0.06 0.44 0.11 0.00 0.31 0.00 0.00 61.69 62.62 2ayz s THR 853 Cb -0.16 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 2ayz s THR 853 CO 0.08 -0.43 -0.16 0.00 -0.69 0.00 0.00 174.62 173.42 2ayz s ALA 854 N 2.80 2.79 -0.50 7.40 0.00 -0.68 -5.00 121.76 128.56 2ayz s ALA 854 Ca 0.25 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.56 2ayz s ALA 854 Cb -0.14 -0.44 0.24 0.00 0.00 0.00 0.00 23.12 22.78 2ayz s ALA 854 CO 0.17 0.35 0.59 -1.71 0.00 0.00 0.00 175.76 175.15 2ayz n ASN 855 N -0.32 1.62 0.00 0.00 4.05 -1.26 -2.20 115.26 117.14 2ayz n ASN 855 Ca -0.08 -2.98 0.00 0.00 0.45 0.00 0.00 54.58 51.97 2ayz n ASN 855 Cb 0.58 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.94 2ayz n ASN 855 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayz n ASP 856 N 1.35 0.00 -0.14 1.20 -0.08 -1.26 -4.75 116.55 112.88 2ayz n ASP 856 Ca 0.25 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.41 2ayz n ASP 856 Cb 0.47 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 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 1.03 2.00 0.27 0.00 -1.94 -2.81 103.07 101.61 2ayz h GLY 857 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 47.33 46.21 2ayz h GLY 857 CO 0.00 0.89 -0.64 -0.39 0.00 0.00 0.00 176.54 176.40 2ayz h VAL 858 N 0.78 1.38 -0.12 4.60 -1.51 -1.94 -3.08 116.25 116.36 2ayz h VAL 858 Ca 0.08 -2.27 -0.01 0.00 -1.23 0.00 0.00 66.70 63.28 2ayz h VAL 858 Cb 0.88 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 32.28 2ayz h VAL 858 CO 0.08 0.63 0.04 -0.78 -1.23 0.00 0.00 177.57 176.31 2ayz h ASP 859 N 0.00 0.15 -0.99 4.19 3.58 -1.81 -0.09 116.42 121.45 2ayz h ASP 859 Ca -0.01 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.46 2ayz h ASP 859 Cb 1.20 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.16 2ayz h ASP 859 CO 0.08 0.15 0.65 0.00 -2.88 0.00 0.00 179.24 177.24 2ayz h ALA 860 N 1.88 1.28 -0.26 -0.78 0.00 -1.40 0.57 119.26 120.55 2ayz h ALA 860 Ca 0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2ayz h ALA 860 Cb 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2ayz h ALA 860 CO -0.00 0.59 -0.54 -0.07 0.00 0.00 0.00 179.25 179.23 2ayz h LEU 861 N 1.29 0.84 0.00 0.00 4.07 -1.18 0.01 115.31 120.35 2ayz h LEU 861 Ca 0.38 -0.45 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 2ayz h LEU 861 Cb -0.08 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.42 2ayz h LEU 861 CO -0.10 1.21 -0.00 -1.13 -1.08 0.00 0.00 178.44 177.34 2ayz h ASN 862 N 0.59 -0.00 -0.15 -0.43 -1.24 -0.85 -1.10 115.58 112.40 2ayz h ASN 862 Ca 0.02 -0.13 -0.10 0.00 0.71 0.00 0.00 56.30 56.79 2ayz h ASN 862 Cb 1.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 2ayz h ASN 862 CO 0.11 0.13 -0.24 0.58 -1.29 0.00 0.00 177.43 176.72 2ayz h VAL 863 N -0.13 1.27 -0.22 2.57 2.07 -0.88 -2.36 116.25 118.57 2ayz h VAL 863 Ca -0.00 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 2ayz h VAL 863 Cb 0.13 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2ayz h VAL 863 CO 0.00 0.42 -0.07 -0.07 0.02 0.00 0.00 177.57 177.87 2ayz h LEU 864 N 0.53 0.32 -0.71 2.57 3.38 -0.82 0.44 115.31 121.02 2ayz h LEU 864 Ca 0.07 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2ayz h LEU 864 Cb 0.70 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ayz h LEU 864 CO 0.05 0.43 -0.29 0.28 0.09 0.00 0.00 178.44 179.00 2ayz h SER 865 N 0.32 0.69 -0.13 -0.43 0.02 -0.69 -3.15 113.55 110.18 2ayz h SER 865 Ca 0.07 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 2ayz h SER 865 Cb 0.34 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2ayz h SER 865 CO 0.02 0.95 -0.15 0.11 -1.14 0.00 0.00 176.83 176.62 2ayz h LYS 866 N 0.57 0.33 -3.24 3.45 6.56 -0.94 -3.45 116.57 119.86 2ayz h LYS 866 Ca 0.07 -0.18 -0.20 0.00 -1.06 0.00 0.00 60.65 59.28 2ayz h LYS 866 Cb 0.79 0.01 -0.28 0.00 -0.57 0.00 0.00 32.23 32.18 2ayz h LYS 866 CO 0.07 0.74 -0.53 1.21 -2.06 0.00 0.00 179.45 178.88 2ayz s ASN 867 N -6.12 -0.18 -0.74 0.86 2.47 0.07 -5.10 114.94 106.20 2ayz s ASN 867 Ca -0.14 0.38 -0.26 0.00 0.42 0.00 0.00 52.86 53.25 2ayz s ASN 867 Cb 0.05 0.33 -0.00 0.00 -1.45 0.00 0.00 41.25 40.18 2ayz s ASN 867 CO 0.75 -0.10 1.66 -2.28 -3.72 0.00 0.00 177.10 173.40 2ayz s HIS 868 N 0.58 1.96 0.42 0.43 2.46 -1.24 -3.94 115.29 115.97 2ayz s HIS 868 Ca -0.04 0.33 -0.22 0.00 0.47 0.00 0.00 55.06 55.60 2ayz s HIS 868 Cb -0.05 -4.31 -0.10 0.00 -0.13 0.00 0.00 32.58 27.99 2ayz s HIS 868 CO -0.03 -2.11 1.00 0.42 -2.47 0.00 0.00 174.74 171.55 2ayz s ILE 869 N 7.80 4.05 -0.02 0.89 1.09 -1.26 -4.99 121.20 128.75 2ayz s ILE 869 Ca 0.56 1.39 -0.09 0.00 -1.10 0.00 0.00 60.65 61.41 2ayz s ILE 869 Cb -0.09 -3.63 -0.05 0.00 -1.06 0.00 0.00 42.46 37.63 2ayz s ILE 869 CO 0.12 -0.16 0.53 -0.78 -0.10 0.00 0.00 174.94 174.54 2ayz h ASP 870 N 2.11 -0.28 -4.37 3.58 1.82 -1.40 -3.46 116.42 114.41 2ayz h ASP 870 Ca -0.49 0.01 -0.58 0.00 -0.39 0.00 0.00 57.03 55.58 2ayz h ASP 870 Cb 1.20 0.07 -0.29 0.00 0.68 0.00 0.00 39.33 41.00 2ayz h ASP 870 CO 0.61 -0.01 -0.85 -0.63 -1.61 0.00 0.00 179.24 176.76 2ayz s ILE 871 N -2.71 1.56 -0.12 2.25 1.01 -1.25 -4.20 121.20 117.74 2ayz s ILE 871 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2ayz s ILE 871 Cb 0.00 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 2ayz s ILE 871 CO 0.15 0.39 -0.13 -0.69 0.00 0.00 0.00 174.94 174.66 2ayz s VAL 872 N -0.52 3.07 -0.36 2.92 1.01 -1.10 -1.04 120.40 124.38 2ayz s VAL 872 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2ayz s VAL 872 Cb -0.08 -2.28 0.10 0.00 0.00 0.00 0.00 36.38 34.13 2ayz s VAL 872 CO -0.00 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 174.96 2ayz s LEU 873 N 0.17 4.27 -0.53 3.92 1.02 -0.22 -0.54 118.68 126.77 2ayz s LEU 873 Ca -0.07 -2.19 -0.12 0.00 0.02 0.00 0.00 54.13 51.76 2ayz s LEU 873 Cb -0.15 -1.50 0.13 0.00 0.02 0.00 0.00 46.19 44.70 2ayz s LEU 873 CO 0.05 -0.37 0.45 -0.94 0.02 0.00 0.00 176.35 175.56 2ayz s SER 874 N 0.86 5.99 -0.19 2.29 1.04 -0.68 -0.92 113.70 122.08 2ayz s SER 874 Ca 0.12 -1.95 -0.29 0.00 0.48 0.00 0.00 55.95 54.31 2ayz s SER 874 Cb -0.20 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 2ayz s SER 874 CO -0.09 -0.75 1.49 -0.62 0.98 0.00 0.00 173.24 174.25 2ayz s ASP 875 N 3.00 6.61 -0.16 7.02 2.15 0.13 -1.82 116.67 133.60 2ayz s ASP 875 Ca 0.06 1.69 0.00 0.00 0.43 0.00 0.00 52.55 54.73 2ayz s ASP 875 Cb -0.27 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.84 2ayz s ASP 875 CO 0.00 -1.06 -0.14 0.68 -0.17 0.00 0.00 175.17 174.49 2ayz s VAL 876 N 4.46 1.61 -1.24 1.11 -7.23 0.08 -1.23 120.40 117.95 2ayz s VAL 876 Ca 0.66 -0.69 -0.07 0.00 -1.81 0.00 0.00 61.98 60.07 2ayz s VAL 876 Cb -0.24 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.20 2ayz s VAL 876 CO 0.25 0.43 2.69 -3.20 -0.31 0.00 0.00 175.10 174.96 2ayz n ASN 877 N 4.75 7.94 -3.28 4.85 5.15 -1.26 -3.46 115.26 129.96 2ayz n ASN 877 Ca -0.17 -2.93 -0.19 0.00 -0.60 0.00 0.00 54.58 50.69 2ayz n ASN 877 Cb 0.50 -1.41 -0.07 0.00 -0.53 0.00 0.00 39.78 38.26 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 -0.04 0.79 0.00 1.20 1.75 -1.26 -5.00 119.30 116.73 2ayz s MET 878 Ca 0.60 -1.33 0.00 0.00 -1.25 0.00 0.00 55.69 53.71 2ayz s MET 878 Cb 0.21 -0.87 0.00 0.00 2.84 0.00 0.00 34.83 37.01 2ayz s MET 878 CO -0.09 -1.28 0.00 -0.35 -0.65 0.00 0.00 175.02 172.65 2ayz n PRO 879 N 3.56 0.00 -2.41 4.11 -0.04 -1.26 -4.37 135.00 134.59 2ayz n PRO 879 Ca 0.18 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 2ayz n PRO 879 Cb 0.47 -0.69 -0.03 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.35 7.08 0.00 3.54 2.47 -1.26 -3.00 114.94 120.43 2ayz s ASN 880 Ca 0.00 2.05 0.00 0.00 0.42 0.00 0.00 52.86 55.33 2ayz s ASN 880 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2ayz s ASN 880 CO 0.00 -0.46 0.00 0.80 -3.72 0.00 0.00 177.10 173.72 2ayz n MET 881 N 3.73 0.00 -1.32 0.43 1.56 -1.26 -4.69 117.12 115.57 2ayz n MET 881 Ca 0.08 0.35 -0.11 0.00 -0.27 0.00 0.00 57.70 57.75 2ayz n MET 881 Cb 0.46 -0.70 -0.05 0.00 2.15 0.00 0.00 33.22 35.09 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 0.00 -5.05 -4.59 6.12 2.03 -1.26 -4.93 116.55 108.87 2ayz n ASP 882 Ca 0.00 0.27 -0.43 0.00 0.52 0.00 0.00 54.79 55.16 2ayz n ASP 882 Cb 0.00 -3.52 -0.02 0.00 -0.72 0.00 0.00 41.12 36.85 2ayz n ASP 882 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2ayz s GLY 883 N -2.58 0.90 0.00 0.27 0.00 -1.16 -1.19 107.32 103.56 2ayz s GLY 883 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2ayz s GLY 883 CO 0.00 3.00 0.00 1.58 0.00 0.00 0.00 173.10 177.68 2ayz n TYR 884 N 9.70 0.00 0.30 1.90 4.11 -1.26 -4.86 117.16 127.05 2ayz n TYR 884 Ca 0.19 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.24 2ayz n TYR 884 Cb 0.48 0.00 0.91 0.00 -0.00 0.00 0.00 39.34 40.73 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 -0.27 -3.48 1.12 -1.54 -1.37 114.38 108.84 2ayz h ARG 885 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.72 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 0.02 -0.43 1.37 -3.11 0.00 0.00 179.97 177.82 2ayz h LEU 886 N 0.00 0.72 -0.92 3.80 8.10 -1.95 -1.12 115.31 123.95 2ayz h LEU 886 Ca -0.00 -0.34 -0.09 0.00 0.11 0.00 0.00 57.88 57.56 2ayz h LEU 886 Cb 0.06 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.07 2ayz h LEU 886 CO 0.00 1.06 -0.44 0.74 -4.11 0.00 0.00 178.44 175.69 2ayz h THR 887 N 0.55 1.06 -0.95 0.15 2.02 -1.61 -2.34 112.91 111.78 2ayz h THR 887 Ca 0.04 -1.66 0.05 0.00 0.77 0.00 0.00 66.41 65.61 2ayz h THR 887 Cb 0.97 1.97 -0.06 0.00 -1.74 0.00 0.00 68.15 69.29 2ayz h THR 887 CO 0.09 0.43 0.62 -0.61 0.37 0.00 0.00 175.52 176.42 2ayz h GLN 888 N 0.00 1.11 -0.44 6.66 4.15 -1.08 0.13 115.11 125.65 2ayz h GLN 888 Ca -0.00 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 2ayz h GLN 888 Cb 0.93 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 2ayz h GLN 888 CO 0.06 0.74 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.58 2ayz h ARG 889 N 1.15 0.73 -0.09 1.69 1.12 -0.97 -1.87 114.38 116.14 2ayz h ARG 889 Ca 0.39 -0.20 0.02 0.00 -1.11 0.00 0.00 59.98 59.09 2ayz h ARG 889 Cb 0.09 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.94 2ayz h ARG 889 CO -0.13 0.76 -0.06 0.82 -3.11 0.00 0.00 179.97 178.25 2ayz h ILE 890 N 0.68 0.82 0.00 1.20 2.04 -0.68 0.32 117.51 121.89 2ayz h ILE 890 Ca 0.13 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 2ayz h ILE 890 Cb 0.46 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2ayz h ILE 890 CO 0.02 0.00 -0.45 0.08 0.00 0.00 0.00 178.15 177.81 2ayz h ARG 891 N -0.06 0.00 0.00 2.37 -0.00 -1.21 -2.18 114.38 113.30 2ayz h ARG 891 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.92 2ayz h ARG 891 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.10 2ayz h ARG 891 CO -0.13 0.45 -0.55 1.96 -0.00 0.00 0.00 179.97 181.70 2ayz h GLN 892 N 0.00 0.00 0.00 0.08 7.50 -0.96 -2.61 115.11 119.12 2ayz h GLN 892 Ca -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 2ayz h GLN 892 Cb 0.89 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 2ayz h GLN 892 CO 0.06 0.55 -0.18 1.25 -1.50 0.00 0.00 178.83 179.00 2ayz h LEU 893 N 0.00 0.00 -2.81 1.46 5.85 -0.53 -3.48 115.31 115.79 2ayz h LEU 893 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2ayz h LEU 893 Cb 1.12 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.17 2ayz h LEU 893 CO 0.07 0.18 -0.09 0.61 -0.34 0.00 0.00 178.44 178.87 2ayz n GLY 894 N 0.95 0.64 3.89 3.75 0.00 -0.86 -5.06 105.19 108.51 2ayz n GLY 894 Ca 0.03 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.16 4.33 -0.00 0.99 1.43 -1.20 -5.00 118.68 116.06 2ayz s LEU 895 Ca 0.04 0.58 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 2ayz s LEU 895 Cb -0.01 -2.99 0.27 0.00 0.03 0.00 0.00 46.19 43.49 2ayz s LEU 895 CO 0.08 0.16 1.23 1.07 0.23 0.00 0.00 176.35 179.12 2ayz n THR 896 N 0.60 1.03 -3.21 5.49 5.66 -1.26 -4.93 114.28 117.66 2ayz n THR 896 Ca -0.07 -1.02 -0.31 0.00 -3.05 0.00 0.00 64.05 59.61 2ayz n THR 896 Cb 0.52 0.48 -0.05 0.00 -1.55 0.00 0.00 70.33 69.74 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 -1.04 4.04 -0.19 1.09 2.34 -1.26 -5.03 118.68 118.64 2ayz s LEU 897 Ca 0.21 1.00 -0.29 0.00 0.06 0.00 0.00 54.13 55.11 2ayz s LEU 897 Cb 0.11 -3.81 -0.01 0.00 -0.56 0.00 0.00 46.19 41.92 2ayz s LEU 897 CO 0.14 -0.20 1.31 -2.84 -1.06 0.00 0.00 176.35 173.69 2ayz s PRO 898 N -3.26 4.15 -0.15 1.48 0.02 -1.26 -4.97 135.00 131.01 2ayz s PRO 898 Ca 0.49 1.62 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 2ayz s PRO 898 Cb -0.11 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.58 2ayz s PRO 898 CO 0.25 -0.82 -0.05 0.08 -0.33 0.00 0.00 177.00 176.13 2ayz s VAL 899 N 3.77 3.77 -0.10 3.83 1.01 -1.08 -2.73 120.40 128.88 2ayz s VAL 899 Ca 0.57 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2ayz s VAL 899 Cb -0.22 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2ayz s VAL 899 CO 0.18 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 175.00 2ayz s ILE 900 N 0.35 3.00 -0.32 2.22 1.01 0.29 -1.81 121.20 125.94 2ayz s ILE 900 Ca -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2ayz s ILE 900 Cb -0.14 -2.22 0.09 0.00 0.01 0.00 0.00 42.46 40.20 2ayz s ILE 900 CO 0.03 0.55 0.05 -0.83 0.00 0.00 0.00 174.94 174.74 2ayz s GLY 901 N -0.09 1.62 -0.04 6.18 0.00 -0.08 -1.69 107.32 113.22 2ayz s GLY 901 Ca -0.02 -2.15 -0.23 0.00 0.00 0.00 0.00 44.72 42.32 2ayz s GLY 901 CO 0.04 1.11 0.67 0.54 0.00 0.00 0.00 173.10 175.46 2ayz s VAL 902 N 1.16 4.99 0.25 1.40 0.11 -0.76 -0.95 120.40 126.60 2ayz s VAL 902 Ca 0.08 1.40 0.02 0.00 -2.93 0.00 0.00 61.98 60.55 2ayz s VAL 902 Cb -0.19 -4.01 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 2ayz s VAL 902 CO -0.12 0.30 0.04 0.42 -3.33 0.00 0.00 175.10 172.41 2ayz s THR 903 N 0.49 0.83 -0.10 5.04 -4.23 0.21 -0.74 115.64 117.14 2ayz s THR 903 Ca 0.36 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2ayz s THR 903 Cb -0.18 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.20 2ayz s THR 903 CO 0.18 -0.19 -0.10 0.00 -0.54 0.00 0.00 174.62 173.98 2ayz s ALA 904 N -3.56 1.35 -1.41 3.99 0.00 -1.22 -0.39 121.76 120.51 2ayz s ALA 904 Ca 0.32 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 2ayz s ALA 904 Cb 0.07 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.41 2ayz s ALA 904 CO 0.11 -0.25 1.10 -1.71 0.00 0.00 0.00 175.76 175.01 2ayz n ASN 905 N 4.57 -5.55 -0.05 0.00 5.15 -1.26 -4.31 115.26 113.82 2ayz n ASN 905 Ca -0.16 -0.63 -0.13 0.00 -0.60 0.00 0.00 54.58 53.05 2ayz n ASN 905 Cb 0.51 -4.62 -0.14 0.00 -0.53 0.00 0.00 39.78 34.99 2ayz n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayz n ALA 906 N -4.85 1.35 0.00 5.20 0.00 -1.26 -4.78 120.51 116.17 2ayz n ALA 906 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2ayz n ALA 906 Cb 0.56 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2ayz n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayz n LEU 907 N -3.10 0.00 -3.07 0.00 0.00 -1.26 -4.41 117.00 105.15 2ayz n LEU 907 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.38 2ayz n LEU 907 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.46 2ayz n LEU 907 CO 0.41 0.00 2.03 0.00 0.00 0.00 0.00 177.39 179.83 2ayz n ALA 908 N 0.00 6.64 -0.03 1.96 0.00 -1.26 -4.63 120.51 123.20 2ayz n ALA 908 Ca 0.00 -3.67 -0.06 0.00 0.00 0.00 0.00 53.44 49.71 2ayz n ALA 908 Cb 0.00 -2.49 0.14 0.00 0.00 0.00 0.00 19.45 17.10 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 3.91 0.61 0.00 0.00 5.08 -1.99 -1.63 114.58 120.56 2ayz h GLU 909 Ca 0.57 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2ayz h GLU 909 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ayz h GLU 909 CO 1.22 0.81 -0.34 0.93 -1.00 0.00 0.00 179.01 180.63 2ayz h GLU 910 N 0.53 0.00 -0.08 2.33 3.07 -1.95 -2.52 114.58 115.96 2ayz h GLU 910 Ca 0.07 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 2ayz h GLU 910 Cb 0.73 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2ayz h GLU 910 CO 0.06 0.34 -0.49 -0.22 -1.40 0.00 0.00 179.01 177.30 2ayz h LYS 911 N 0.00 0.20 -0.40 2.33 3.64 -1.67 -2.43 116.57 118.24 2ayz h LYS 911 Ca -0.00 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2ayz h LYS 911 Cb 0.81 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2ayz h LYS 911 CO 0.04 0.65 -0.08 1.96 -2.27 0.00 0.00 179.45 179.76 2ayz h GLN 912 N 0.16 0.76 -0.92 1.90 4.20 -1.01 -1.77 115.11 118.43 2ayz h GLN 912 Ca 0.01 -0.28 0.18 0.00 0.06 0.00 0.00 58.65 58.61 2ayz h GLN 912 Cb 0.93 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.58 2ayz h GLN 912 CO 0.07 0.88 0.59 -0.09 -0.67 0.00 0.00 178.83 179.62 2ayz h ARG 913 N 0.57 0.58 0.00 1.46 1.12 -1.12 0.46 114.38 117.45 2ayz h ARG 913 Ca 0.10 -0.03 -0.22 0.00 -1.11 0.00 0.00 59.98 58.72 2ayz h ARG 913 Cb 0.59 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.42 2ayz h ARG 913 CO 0.04 0.38 -0.93 0.00 -3.11 0.00 0.00 179.97 176.35 2ayz h LEU 915 N 0.19 -0.15 0.13 0.00 5.85 0.65 -3.34 115.31 118.65 2ayz h LEU 915 Ca -0.07 -0.40 -0.22 0.00 0.84 0.00 0.00 57.88 58.04 2ayz h LEU 915 Cb 1.56 0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.66 2ayz h LEU 915 CO 0.15 0.38 -0.93 1.05 -0.34 0.00 0.00 178.44 178.76 2ayz h GLU 916 N -0.74 0.39 -6.11 1.25 -0.00 -0.80 -3.48 114.58 105.09 2ayz h GLU 916 Ca -0.02 -0.60 -0.42 0.00 -0.00 0.00 0.00 59.36 58.32 2ayz h GLU 916 Cb 0.53 0.21 0.05 0.00 -0.00 0.00 0.00 28.75 29.55 2ayz h GLU 916 CO 0.03 1.27 -0.85 0.43 -0.00 0.00 0.00 179.01 179.89 2ayz n SER 917 N -4.04 -1.76 -0.07 3.06 7.64 -0.36 -4.28 113.62 113.81 2ayz n SER 917 Ca -0.14 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2ayz n SER 917 Cb 0.86 -3.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 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 -1.61 -2.18 0.00 0.23 0.00 -1.26 -4.71 105.19 95.66 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 0.00 -1.26 -4.61 117.12 112.86 2ayz n MET 919 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ayz n MET 919 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 2ayz n MET 919 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayz n ASP 920 N 0.00 0.00 -3.96 6.12 2.03 -0.75 -2.63 116.55 117.36 2ayz n ASP 920 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 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 0.22 0.02 1.67 0.01 -1.10 -5.06 113.70 109.46 2ayz s SER 921 Ca 0.00 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.82 2ayz s SER 921 Cb 0.00 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2ayz s SER 921 CO 0.00 -0.41 -0.24 0.00 0.41 0.00 0.00 173.24 173.00 2ayz n LEU 923 N 1.97 0.00 -4.72 0.00 4.77 -0.12 -4.89 117.00 114.01 2ayz n LEU 923 Ca -0.17 -1.79 -0.28 0.00 -0.03 0.00 0.00 56.01 53.75 2ayz n LEU 923 Cb 0.52 0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 2ayz n LEU 923 CO 0.24 -0.26 -0.30 -0.44 -1.33 0.00 0.00 177.39 175.29 2ayz s SER 924 N -2.50 5.13 0.13 -1.43 0.01 -1.26 -0.62 113.70 113.16 2ayz s SER 924 Ca 0.06 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 2ayz s SER 924 Cb 0.00 -1.24 -0.09 0.00 0.21 0.00 0.00 66.02 64.91 2ayz s SER 924 CO 0.04 0.13 1.49 0.50 0.41 0.00 0.00 173.24 175.81 2ayz h LYS 925 N 3.01 -0.23 -3.95 12.44 3.64 -1.01 -3.19 116.57 127.28 2ayz h LYS 925 Ca -0.47 0.02 -0.72 0.00 -1.27 0.00 0.00 60.65 58.20 2ayz h LYS 925 Cb 1.18 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 2ayz h LYS 925 CO 0.61 -0.15 2.70 -0.35 -2.27 0.00 0.00 179.45 179.98 2ayz n PRO 926 N -5.09 3.13 -2.04 1.90 -0.05 -1.26 -4.93 135.00 126.65 2ayz n PRO 926 Ca -0.01 -2.96 -0.43 0.00 -0.05 0.00 0.00 63.50 60.05 2ayz n PRO 926 Cb 0.28 -3.18 -0.03 0.00 -0.05 0.00 0.00 33.50 30.53 2ayz n PRO 926 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2ayz s VAL 927 N 2.32 3.54 1.03 0.52 1.01 -1.21 -5.00 120.40 122.60 2ayz s VAL 927 Ca 0.45 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 2ayz s VAL 927 Cb 0.12 -3.69 0.23 0.00 0.00 0.00 0.00 36.38 33.03 2ayz s VAL 927 CO -0.05 -0.42 1.29 0.42 0.00 0.00 0.00 175.10 176.33 2ayz s THR 928 N 6.52 1.90 0.23 3.92 -4.23 -1.26 -4.74 115.64 117.99 2ayz s THR 928 Ca 0.77 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 2ayz s THR 928 Cb -0.22 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 70.93 2ayz s THR 928 CO 0.33 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.48 2ayz h LEU 929 N -1.92 0.68 0.54 4.79 6.46 -1.97 0.29 115.31 124.19 2ayz h LEU 929 Ca -0.44 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.33 2ayz h LEU 929 Cb 1.24 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 41.07 2ayz h LEU 929 CO 0.35 0.42 -0.26 -2.24 -0.62 0.00 0.00 178.44 176.08 2ayz h ASP 930 N 0.81 -0.62 -0.56 1.25 3.04 -1.99 -0.11 116.42 118.24 2ayz h ASP 930 Ca 0.36 -0.03 -0.02 0.00 -3.24 0.00 0.00 57.03 54.11 2ayz h ASP 930 Cb 0.25 0.16 -0.03 0.00 -1.04 0.00 0.00 39.33 38.68 2ayz h ASP 930 CO -0.21 -0.36 0.30 0.58 -2.04 0.00 0.00 179.24 177.51 2ayz h VAL 931 N -0.85 1.19 -0.70 4.15 2.07 -1.89 0.16 116.25 120.38 2ayz h VAL 931 Ca -0.07 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2ayz h VAL 931 Cb 0.61 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2ayz h VAL 931 CO 0.12 0.22 0.18 0.40 0.02 0.00 0.00 177.57 178.50 2ayz h ILE 932 N 0.82 1.26 -0.40 4.57 2.04 -0.74 0.15 117.51 125.20 2ayz h ILE 932 Ca 0.21 -0.95 -0.14 0.00 1.00 0.00 0.00 64.86 64.97 2ayz h ILE 932 Cb 0.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2ayz h ILE 932 CO -0.03 0.37 -0.31 0.50 0.00 0.00 0.00 178.15 178.68 2ayz h LYS 933 N 1.05 0.90 0.20 2.37 3.11 -0.36 0.18 116.57 124.03 2ayz h LYS 933 Ca 0.22 -0.43 -0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2ayz h LYS 933 Cb 0.36 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2ayz h LYS 933 CO 0.00 1.08 -0.14 1.96 -2.81 0.00 0.00 179.45 179.54 2ayz h GLN 934 N 0.76 -0.33 -0.33 1.90 4.20 -0.55 -0.61 115.11 120.14 2ayz h GLN 934 Ca 0.08 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2ayz h GLN 934 Cb 0.88 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2ayz h GLN 934 CO 0.08 -0.22 -0.28 1.15 -0.67 0.00 0.00 178.83 178.90 2ayz h THR 935 N -0.34 1.29 -0.22 -0.54 2.02 -0.95 -1.96 112.91 112.21 2ayz h THR 935 Ca -0.01 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 2ayz h THR 935 Cb 0.30 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2ayz h THR 935 CO 0.00 0.47 0.08 -0.07 0.37 0.00 0.00 175.52 176.37 2ayz h LEU 936 N 0.55 0.32 -0.41 2.58 -0.00 -0.90 -0.25 115.31 117.18 2ayz h LEU 936 Ca 0.06 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2ayz h LEU 936 Cb 0.85 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2ayz h LEU 936 CO 0.07 0.42 0.03 0.74 -0.00 0.00 0.00 178.44 179.70 2ayz h THR 937 N 0.20 1.25 -0.49 0.22 2.02 -1.13 0.41 112.91 115.39 2ayz h THR 937 Ca 0.07 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 2ayz h THR 937 Cb 0.21 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2ayz h THR 937 CO -0.00 0.33 -0.08 0.25 0.37 0.00 0.00 175.52 176.38 2ayz h LEU 938 N 0.55 0.88 -0.07 2.58 5.85 -1.26 -2.33 115.31 121.51 2ayz h LEU 938 Ca 0.12 -0.27 -0.24 0.00 0.84 0.00 0.00 57.88 58.34 2ayz h LEU 938 Cb 0.44 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2ayz h LEU 938 CO 0.02 0.99 -1.05 1.88 -0.34 0.00 0.00 178.44 179.94 2ayz h TYR 939 N 0.81 0.48 -0.30 1.25 -1.99 -0.94 -2.32 116.97 113.96 2ayz h TYR 939 Ca 0.14 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.56 2ayz h TYR 939 Cb 0.60 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 2ayz h TYR 939 CO 0.04 1.16 0.16 0.00 -0.00 0.00 0.00 178.16 179.52 2ayz h ALA 940 N 0.73 0.38 -0.15 3.88 0.00 -0.79 0.15 119.26 123.46 2ayz h ALA 940 Ca -0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2ayz h ALA 940 Cb 1.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2ayz h ALA 940 CO 0.17 -0.09 -0.36 1.05 0.00 0.00 0.00 179.25 180.02 2ayz h GLU 941 N 0.36 0.32 -0.09 0.00 4.11 -1.48 -2.52 114.58 115.28 2ayz h GLU 941 Ca 0.10 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2ayz h GLU 941 Cb 0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ayz h GLU 941 CO -0.02 0.64 0.02 -0.09 0.07 0.00 0.00 179.01 179.63 2ayz h ARG 942 N 0.28 0.15 -0.03 1.06 2.43 -0.89 -1.58 114.38 115.80 2ayz h ARG 942 Ca 0.03 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2ayz h ARG 942 Cb 0.77 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2ayz h ARG 942 CO 0.06 0.35 -0.37 -0.39 -1.51 0.00 0.00 179.97 178.12 2ayz h VAL 943 N -0.08 1.27 0.05 0.20 -1.51 -0.93 0.07 116.25 115.33 2ayz h VAL 943 Ca 0.03 -1.31 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 2ayz h VAL 943 Cb 0.28 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2ayz h VAL 943 CO 0.00 0.38 -0.03 0.03 -1.23 0.00 0.00 177.57 176.72 2ayz h ARG 944 N 0.05 -0.07 0.00 5.19 2.47 -1.30 -1.60 114.38 119.13 2ayz h ARG 944 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 2ayz h ARG 944 Cb 0.68 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 2ayz h ARG 944 CO 0.05 0.31 -0.42 1.57 0.56 0.00 0.00 179.97 182.04 2ayz h LYS 945 N -0.46 0.00 0.00 0.04 2.10 -1.10 -0.74 116.57 116.41 2ayz h LYS 945 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2ayz h LYS 945 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2ayz h LYS 945 CO 0.01 0.42 -0.26 0.77 -2.00 0.00 0.00 179.45 178.39 2ayz h SER 946 N 0.00 0.00 0.00 7.07 0.02 -1.02 -3.34 113.55 116.27 2ayz h SER 946 Ca -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2ayz h SER 946 Cb 1.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2ayz h SER 946 CO 0.05 0.02 -0.27 0.03 -1.14 0.00 0.00 176.83 175.52 2ayz h ARG 947 N 0.00 0.00 0.00 3.45 3.08 -0.93 -3.51 114.38 116.48 2ayz h ARG 947 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ayz h ARG 947 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2ayz h ARG 947 CO 0.00 0.17 0.00 -3.47 -1.07 0.00 0.00 179.97 175.60 2ayz n ASP 948 N -4.68 0.00 -0.42 7.04 2.03 -0.31 -5.10 116.55 115.11 2ayz n ASP 948 Ca -0.06 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.39 2ayz n ASP 948 Cb 0.19 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.17 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08