#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayz n ALA 818 N 0.00 6.11 -2.33 3.14 0.00 -1.26 -4.93 120.51 121.24 2ayz n ALA 818 Ca 0.00 -2.82 -0.43 0.00 0.00 0.00 0.00 53.44 50.19 2ayz n ALA 818 Cb 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 2ayz n ALA 818 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ayz s VAL 819 N -2.73 4.07 0.30 0.00 0.11 -1.26 -5.00 120.40 115.89 2ayz s VAL 819 Ca 0.51 1.25 0.07 0.00 -2.93 0.00 0.00 61.98 60.89 2ayz s VAL 819 Cb 0.36 -3.95 -0.03 0.00 -1.53 0.00 0.00 36.38 31.24 2ayz s VAL 819 CO -0.17 -0.26 0.26 -0.44 -3.33 0.00 0.00 175.10 171.16 2ayz s SER 820 N 2.75 5.43 0.40 3.54 0.01 -1.26 -5.13 113.70 119.43 2ayz s SER 820 Ca 0.60 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.52 2ayz s SER 820 Cb -0.22 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.79 2ayz s SER 820 CO 0.21 -0.23 0.04 -0.62 0.41 0.00 0.00 173.24 173.05 2ayz s ASP 821 N -3.94 3.28 -0.30 2.44 -1.08 -1.26 -5.15 116.67 110.66 2ayz s ASP 821 Ca 0.38 -1.47 -0.06 0.00 -0.52 0.00 0.00 52.55 50.88 2ayz s ASP 821 Cb -0.07 0.01 0.18 0.00 -1.46 0.00 0.00 42.92 41.58 2ayz s ASP 821 CO 0.26 -0.65 0.73 0.21 0.52 0.00 0.00 175.17 176.24 2ayz s ASN 822 N -3.66 -1.11 -1.43 -0.34 3.84 -1.26 -5.04 114.94 105.95 2ayz s ASN 822 Ca 0.28 0.83 -0.15 0.00 0.21 0.00 0.00 52.86 54.04 2ayz s ASN 822 Cb 0.07 1.99 0.04 0.00 -0.55 0.00 0.00 41.25 42.80 2ayz s ASN 822 CO 0.14 -0.21 2.16 -0.67 -2.79 0.00 0.00 177.10 175.73 2ayz n ASP 823 N 5.41 3.99 -3.43 -4.21 2.03 -1.26 -4.85 116.55 114.24 2ayz n ASP 823 Ca -0.04 -2.85 -0.40 0.00 0.52 0.00 0.00 54.79 52.02 2ayz n ASP 823 Cb 0.51 -1.66 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 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 6.45 7.29 -4.51 1.67 2.03 -1.26 -4.88 116.55 123.34 2ayz n ASP 824 Ca 0.52 -2.65 -0.36 0.00 0.52 0.00 0.00 54.79 52.82 2ayz n ASP 824 Cb 0.40 -1.58 -0.12 0.00 -0.72 0.00 0.00 41.12 39.10 2ayz n ASP 824 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2ayz s MET 825 N 2.50 3.77 -0.13 -0.67 -1.94 -1.26 -5.05 119.30 116.52 2ayz s MET 825 Ca 0.63 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 54.17 2ayz s MET 825 Cb 0.17 -3.37 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2ayz s MET 825 CO -0.07 -0.10 -0.05 0.00 -0.01 0.00 0.00 175.02 174.79 2ayz s MET 826 N 1.42 3.36 0.03 2.03 0.23 -1.26 -2.68 119.30 122.43 2ayz s MET 826 Ca 0.06 -0.54 0.08 0.00 -1.03 0.00 0.00 55.69 54.27 2ayz s MET 826 Cb -0.15 -2.79 -0.03 0.00 -1.53 0.00 0.00 34.83 30.33 2ayz s MET 826 CO 0.05 0.38 -0.25 0.42 -2.03 0.00 0.00 175.02 173.59 2ayz s ILE 827 N -0.02 2.00 -0.30 3.16 -1.09 0.26 -1.33 121.20 123.88 2ayz s ILE 827 Ca 0.00 -1.27 -0.16 0.00 -2.23 0.00 0.00 60.65 56.99 2ayz s ILE 827 Cb -0.13 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.02 2ayz s ILE 827 CO 0.03 0.38 0.43 -0.22 -1.23 0.00 0.00 174.94 174.33 2ayz s LEU 828 N -1.07 4.17 -0.52 2.97 0.20 0.18 -1.61 118.68 123.01 2ayz s LEU 828 Ca 0.10 0.18 -0.09 0.00 0.69 0.00 0.00 54.13 55.01 2ayz s LEU 828 Cb -0.10 -2.50 0.13 0.00 -0.43 0.00 0.00 46.19 43.30 2ayz s LEU 828 CO 0.01 -0.30 0.39 0.68 -0.29 0.00 0.00 176.35 176.85 2ayz s VAL 829 N 2.19 4.30 -0.09 1.68 -7.23 0.13 -1.23 120.40 120.16 2ayz s VAL 829 Ca 0.17 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.38 2ayz s VAL 829 Cb -0.16 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 32.94 2ayz s VAL 829 CO 0.11 -0.81 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.35 2ayz s VAL 830 N 1.14 3.88 -0.08 1.32 1.01 -0.57 -2.31 120.40 124.79 2ayz s VAL 830 Ca 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2ayz s VAL 830 Cb -0.24 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.55 2ayz s VAL 830 CO -0.02 0.58 0.18 -0.62 0.00 0.00 0.00 175.10 175.23 2ayz s ASP 831 N -0.57 -0.17 0.19 3.32 2.15 -0.73 -0.55 116.67 120.31 2ayz s ASP 831 Ca 0.09 0.38 0.19 0.00 0.43 0.00 0.00 52.55 53.64 2ayz s ASP 831 Cb -0.12 0.28 0.84 0.00 -0.30 0.00 0.00 42.92 43.62 2ayz s ASP 831 CO 0.02 -0.15 1.58 -0.90 -0.17 0.00 0.00 175.17 175.55 2ayz n ASP 832 N 4.11 0.43 -3.72 -0.34 5.75 -0.79 -3.99 116.55 117.99 2ayz n ASP 832 Ca -0.25 0.63 -0.19 0.00 -0.01 0.00 0.00 54.79 54.97 2ayz n ASP 832 Cb 0.53 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 2ayz n ASP 832 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2ayz n HIS 833 N -2.01 0.14 -0.06 2.11 8.25 -1.26 -4.86 115.22 117.54 2ayz n HIS 833 Ca 0.01 -1.54 -0.12 0.00 -0.26 0.00 0.00 57.72 55.81 2ayz n HIS 833 Cb 0.15 -0.24 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 2ayz n HIS 833 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2ayz n PRO 834 N -0.98 0.67 -0.10 -0.41 -0.04 -1.26 -4.23 135.00 128.64 2ayz n PRO 834 Ca -0.09 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2ayz n PRO 834 Cb 0.40 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 2ayz n PRO 834 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2ayz h ILE 835 N 0.01 1.29 0.00 0.52 3.07 -1.98 -2.38 117.51 118.05 2ayz h ILE 835 Ca -0.43 -1.39 -0.05 0.00 1.55 0.00 0.00 64.86 64.54 2ayz h ILE 835 Cb 2.08 1.50 -0.01 0.00 -0.27 0.00 0.00 36.82 40.12 2ayz h ILE 835 CO 0.04 0.45 -0.24 0.78 -1.05 0.00 0.00 178.15 178.13 2ayz h ASN 836 N 0.48 0.00 0.22 2.16 2.35 -1.97 -2.65 115.58 116.18 2ayz h ASN 836 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2ayz h ASN 836 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2ayz h ASN 836 CO 0.06 0.24 -0.11 -0.09 -1.65 0.00 0.00 177.43 175.89 2ayz h ARG 837 N 0.00 -0.29 -0.01 0.81 2.43 -1.67 0.18 114.38 115.83 2ayz h ARG 837 Ca -0.00 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2ayz h ARG 837 Cb 1.09 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2ayz h ARG 837 CO 0.03 -0.07 -0.31 0.07 -1.51 0.00 0.00 179.97 178.18 2ayz h ARG 838 N -0.45 0.02 -0.05 0.20 -0.00 -1.41 -0.60 114.38 112.08 2ayz h ARG 838 Ca -0.03 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.98 59.79 2ayz h ARG 838 Cb 0.34 -0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.32 2ayz h ARG 838 CO 0.05 0.33 -0.55 -0.07 -0.00 0.00 0.00 179.97 179.73 2ayz h LEU 839 N 0.02 0.58 -0.21 0.08 3.38 -1.34 -2.16 115.31 115.66 2ayz h LEU 839 Ca 0.00 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 2ayz h LEU 839 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2ayz h LEU 839 CO 0.04 1.19 -0.03 0.25 0.09 0.00 0.00 178.44 179.98 2ayz h LEU 840 N 0.02 0.38 -1.28 1.67 5.85 -0.43 -1.32 115.31 120.20 2ayz h LEU 840 Ca -0.05 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 2ayz h LEU 840 Cb 1.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2ayz h LEU 840 CO 0.11 0.64 -0.36 0.00 -0.34 0.00 0.00 178.44 178.49 2ayz h ALA 841 N 0.76 1.37 -0.20 1.25 0.00 -1.22 -1.06 119.26 120.16 2ayz h ALA 841 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ayz h ALA 841 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ayz h ALA 841 CO 0.02 0.45 -0.00 0.22 0.00 0.00 0.00 179.25 179.93 2ayz h ASP 842 N 0.00 0.35 -0.25 0.00 1.82 -1.15 -0.72 116.42 116.47 2ayz h ASP 842 Ca -0.00 -0.31 0.03 0.00 -0.39 0.00 0.00 57.03 56.35 2ayz h ASP 842 Cb 0.65 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 2ayz h ASP 842 CO 0.05 0.58 0.09 1.56 -1.61 0.00 0.00 179.24 179.90 2ayz h GLN 843 N 0.12 0.20 -0.75 0.28 7.50 -0.84 -0.20 115.11 121.42 2ayz h GLN 843 Ca 0.06 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.20 2ayz h GLN 843 Cb 0.40 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 2ayz h GLN 843 CO 0.01 0.13 0.50 1.25 -1.50 0.00 0.00 178.83 179.22 2ayz h LEU 844 N 0.20 0.86 -1.54 1.46 5.85 -1.15 -0.78 115.31 120.23 2ayz h LEU 844 Ca 0.11 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2ayz h LEU 844 Cb 0.08 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2ayz h LEU 844 CO -0.11 0.62 -0.08 1.23 -0.34 0.00 0.00 178.44 179.76 2ayz h GLY 845 N 1.02 0.00 1.70 3.75 0.00 -0.74 -1.82 103.07 106.98 2ayz h GLY 845 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2ayz h GLY 845 CO -0.06 0.00 -0.29 1.76 0.00 0.00 0.00 176.54 177.95 2ayz h SER 846 N 0.00 0.00 0.19 0.19 0.02 0.40 -3.11 113.55 111.24 2ayz h SER 846 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2ayz h SER 846 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2ayz h SER 846 CO 0.01 0.00 -0.88 0.00 -1.14 0.00 0.00 176.83 174.82 2ayz n LEU 847 N -2.90 0.79 0.00 5.07 -0.00 -0.78 -4.99 117.00 114.18 2ayz n LEU 847 Ca 0.03 -0.29 0.00 0.00 -0.00 0.00 0.00 56.01 55.75 2ayz n LEU 847 Cb 0.53 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2ayz n LEU 847 CO 0.35 0.19 0.00 0.61 -0.00 0.00 0.00 177.39 178.54 2ayz n GLY 848 N 1.48 1.26 3.65 1.47 0.00 -0.73 -5.09 105.19 107.23 2ayz n GLY 848 Ca 0.04 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 2.79 -0.24 1.61 2.02 -0.95 -5.03 117.35 115.55 2ayz s TYR 849 Ca 0.00 -0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 2ayz s TYR 849 Cb 0.00 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2ayz s TYR 849 CO 0.00 0.54 1.87 -0.65 -1.57 0.00 0.00 175.55 175.73 2ayz s GLN 850 N -3.10 3.49 -0.50 -0.62 1.11 -1.09 -4.32 119.66 114.62 2ayz s GLN 850 Ca 0.28 1.76 -0.18 0.00 0.01 0.00 0.00 55.36 57.22 2ayz s GLN 850 Cb -0.09 -4.19 0.06 0.00 -1.01 0.00 0.00 33.01 27.78 2ayz s GLN 850 CO 0.19 -1.67 0.57 0.00 0.01 0.00 0.00 175.29 174.39 2ayz s LYS 852 N 2.42 3.51 -0.02 0.00 3.01 -0.63 -4.93 119.74 123.09 2ayz s LYS 852 Ca 0.13 -0.53 -0.17 0.00 -1.01 0.00 0.00 55.97 54.39 2ayz s LYS 852 Cb -0.20 -3.81 -0.05 0.00 -1.01 0.00 0.00 37.83 32.75 2ayz s LYS 852 CO 0.11 -0.50 0.46 0.95 0.51 0.00 0.00 175.35 176.88 2ayz s THR 853 N 1.89 5.01 0.18 2.17 -4.23 -1.26 -0.69 115.64 118.71 2ayz s THR 853 Ca 0.09 0.96 -0.12 0.00 -1.18 0.00 0.00 61.69 61.43 2ayz s THR 853 Cb -0.17 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 69.89 2ayz s THR 853 CO 0.11 0.50 0.38 0.00 -0.54 0.00 0.00 174.62 175.07 2ayz s ALA 854 N -0.58 -0.36 -0.45 3.99 0.00 -0.98 -4.98 121.76 118.41 2ayz s ALA 854 Ca 0.25 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.64 2ayz s ALA 854 Cb -0.17 0.86 0.23 0.00 0.00 0.00 0.00 23.12 24.04 2ayz s ALA 854 CO 0.14 -0.72 0.51 0.27 0.00 0.00 0.00 175.76 175.96 2ayz n ASN 855 N -0.27 0.68 0.00 0.00 6.94 -1.26 -1.78 115.26 119.58 2ayz n ASN 855 Ca -0.08 -2.75 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 2ayz n ASN 855 Cb 0.63 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 1.68 0.00 -0.14 0.53 2.03 -1.26 -4.65 116.55 114.74 2ayz n ASP 856 Ca 0.24 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.45 2ayz n ASP 856 Cb 0.49 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.78 2.00 0.27 0.00 -1.91 -2.06 103.07 102.15 2ayz h GLY 857 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 2ayz h GLY 857 CO 0.00 0.52 -0.62 -2.08 0.00 0.00 0.00 176.54 174.36 2ayz h VAL 858 N 0.56 1.32 -0.94 4.60 2.07 -1.95 -2.79 116.25 119.12 2ayz h VAL 858 Ca 0.12 -2.23 0.09 0.00 0.82 0.00 0.00 66.70 65.49 2ayz h VAL 858 Cb 0.46 2.25 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 2ayz h VAL 858 CO 0.02 0.61 0.59 -0.78 0.02 0.00 0.00 177.57 178.03 2ayz h ASP 859 N 0.00 0.90 -0.38 0.57 3.58 -1.83 -0.50 116.42 118.76 2ayz h ASP 859 Ca -0.01 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.51 2ayz h ASP 859 Cb 1.20 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 2ayz h ASP 859 CO 0.08 0.54 0.15 0.00 -2.88 0.00 0.00 179.24 177.12 2ayz h ALA 860 N 1.47 0.45 -0.97 -0.78 0.00 -1.11 -1.13 119.26 117.20 2ayz h ALA 860 Ca 0.43 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.47 2ayz h ALA 860 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2ayz h ALA 860 CO -0.21 -0.24 0.62 -0.07 0.00 0.00 0.00 179.25 179.35 2ayz h LEU 861 N 0.31 0.95 0.02 0.00 -0.00 -1.10 0.11 115.31 115.59 2ayz h LEU 861 Ca 0.17 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2ayz h LEU 861 Cb 0.14 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2ayz h LEU 861 CO -0.16 0.58 -0.01 -1.13 -0.00 0.00 0.00 178.44 177.71 2ayz h ASN 862 N 1.06 -0.02 -0.29 -0.43 -0.73 -0.45 -0.32 115.58 114.40 2ayz h ASN 862 Ca 0.44 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 58.40 2ayz h ASN 862 Cb 0.29 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 2ayz h ASN 862 CO -0.19 0.16 0.10 1.62 -0.37 0.00 0.00 177.43 178.75 2ayz h VAL 863 N -0.21 1.16 -0.09 2.57 3.04 -0.61 -1.30 116.25 120.82 2ayz h VAL 863 Ca -0.00 -0.56 -0.11 0.00 -1.01 0.00 0.00 66.70 65.02 2ayz h VAL 863 Cb 0.20 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 2ayz h VAL 863 CO 0.00 0.21 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.28 2ayz h LEU 864 N 0.52 0.21 -1.53 3.16 3.38 -0.57 0.13 115.31 120.61 2ayz h LEU 864 Ca 0.12 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2ayz h LEU 864 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2ayz h LEU 864 CO -0.01 0.61 -0.22 0.28 0.09 0.00 0.00 178.44 179.20 2ayz h SER 865 N 0.17 0.03 0.00 -0.43 0.02 0.12 -3.20 113.55 110.26 2ayz h SER 865 Ca 0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ayz h SER 865 Cb 0.82 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2ayz h SER 865 CO 0.06 0.25 -0.19 0.50 -1.14 0.00 0.00 176.83 176.31 2ayz h LYS 866 N 0.03 0.00 -5.67 3.45 3.11 -1.11 -3.48 116.57 112.90 2ayz h LYS 866 Ca 0.00 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.27 2ayz h LYS 866 Cb 0.40 0.00 -0.30 0.00 -1.00 0.00 0.00 32.23 31.33 2ayz h LYS 866 CO 0.03 0.05 -0.84 1.21 -2.81 0.00 0.00 179.45 177.09 2ayz s ASN 867 N -5.66 2.22 0.10 4.20 2.47 0.42 -5.06 114.94 113.63 2ayz s ASN 867 Ca -0.06 -0.35 -0.27 0.00 0.42 0.00 0.00 52.86 52.60 2ayz s ASN 867 Cb 0.01 -0.37 -0.12 0.00 -1.45 0.00 0.00 41.25 39.32 2ayz s ASN 867 CO 0.11 0.21 1.66 -0.74 -3.72 0.00 0.00 177.10 174.61 2ayz h HIS 868 N 5.86 -0.55 -2.63 0.43 -0.00 -1.83 -3.28 115.15 113.15 2ayz h HIS 868 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 2ayz h HIS 868 Cb 1.15 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2ayz h HIS 868 CO 0.41 -0.31 -0.68 -0.89 -0.00 0.00 0.00 177.93 176.46 2ayz n ILE 869 N -5.33 -2.17 -0.04 6.26 2.08 -1.26 -4.82 119.36 114.07 2ayz n ILE 869 Ca -0.08 1.07 -0.03 0.00 0.56 0.00 0.00 62.75 64.27 2ayz n ILE 869 Cb 0.24 -1.75 -0.01 0.00 -0.75 0.00 0.00 39.64 37.38 2ayz n ILE 869 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2ayz n ASP 870 N -2.21 0.96 -4.53 4.38 2.03 -0.44 -4.91 116.55 111.83 2ayz n ASP 870 Ca 0.00 0.40 -0.34 0.00 0.52 0.00 0.00 54.79 55.37 2ayz n ASP 870 Cb 0.32 -0.68 -0.12 0.00 -0.72 0.00 0.00 41.12 39.92 2ayz n ASP 870 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ayz s ILE 871 N -1.72 3.60 -0.13 5.18 -1.09 -1.18 -4.08 121.20 121.79 2ayz s ILE 871 Ca -0.09 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 2ayz s ILE 871 Cb 0.01 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 2ayz s ILE 871 CO 0.14 0.57 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.52 2ayz s VAL 872 N -0.42 2.25 -0.33 2.92 1.01 -1.09 -0.64 120.40 124.10 2ayz s VAL 872 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2ayz s VAL 872 Cb -0.12 -1.90 0.09 0.00 0.00 0.00 0.00 36.38 34.45 2ayz s VAL 872 CO 0.02 0.55 0.02 -0.76 0.00 0.00 0.00 175.10 174.93 2ayz s LEU 873 N 0.58 4.50 -0.46 3.92 1.43 -0.37 -0.53 118.68 127.76 2ayz s LEU 873 Ca -0.12 -1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 50.85 2ayz s LEU 873 Cb -0.16 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2ayz s LEU 873 CO 0.03 -0.35 0.38 -0.94 0.23 0.00 0.00 176.35 175.71 2ayz s SER 874 N 1.00 6.14 0.01 2.29 1.04 -0.88 -1.51 113.70 121.78 2ayz s SER 874 Ca 0.06 -1.18 -0.25 0.00 0.48 0.00 0.00 55.95 55.06 2ayz s SER 874 Cb -0.19 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 2ayz s SER 874 CO -0.07 -0.60 0.78 -0.62 0.98 0.00 0.00 173.24 173.71 2ayz s ASP 875 N 2.34 7.18 -0.05 7.02 2.15 0.29 -2.05 116.67 133.55 2ayz s ASP 875 Ca 0.05 1.41 0.01 0.00 0.43 0.00 0.00 52.55 54.45 2ayz s ASP 875 Cb -0.22 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 2ayz s ASP 875 CO 0.08 -0.07 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.30 2ayz s VAL 876 N 0.36 0.43 -1.50 1.11 1.01 -0.38 -1.88 120.40 119.54 2ayz s VAL 876 Ca 0.40 -0.04 0.25 0.00 0.00 0.00 0.00 61.98 62.59 2ayz s VAL 876 Cb -0.20 -0.49 0.08 0.00 0.00 0.00 0.00 36.38 35.77 2ayz s VAL 876 CO 0.22 0.21 1.35 -3.20 0.00 0.00 0.00 175.10 173.68 2ayz n ASN 877 N 4.25 1.07 -3.16 3.32 4.05 -1.26 -1.05 115.26 122.46 2ayz n ASN 877 Ca -0.22 -0.85 -0.23 0.00 0.45 0.00 0.00 54.58 53.72 2ayz n ASN 877 Cb 0.51 0.35 -0.05 0.00 1.23 0.00 0.00 39.78 41.81 2ayz n ASN 877 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 177.26 175.01 2ayz n MET 878 N -0.88 1.76 0.23 1.20 1.56 -1.26 -4.72 117.12 115.02 2ayz n MET 878 Ca 0.09 -3.95 0.11 0.00 -0.27 0.00 0.00 57.70 53.68 2ayz n MET 878 Cb 0.36 -1.83 0.45 0.00 2.15 0.00 0.00 33.22 34.36 2ayz n MET 878 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 2ayz h PRO 879 N 3.42 0.00 -0.23 2.12 0.13 -1.84 -0.99 132.00 134.60 2ayz h PRO 879 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2ayz h PRO 879 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2ayz h PRO 879 CO 0.63 0.17 -0.07 -0.97 -0.23 0.00 0.00 178.00 177.53 2ayz h ASN 880 N 0.00 0.34 0.00 1.44 -1.24 -1.93 -3.29 115.58 110.90 2ayz h ASN 880 Ca -0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 2ayz h ASN 880 Cb 0.77 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.73 2ayz h ASN 880 CO 0.02 0.46 -0.15 -0.03 -1.29 0.00 0.00 177.43 176.44 2ayz h MET 881 N 0.35 0.00 -0.60 6.67 4.05 -1.88 -3.48 114.93 120.04 2ayz h MET 881 Ca 0.07 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.61 2ayz h MET 881 Cb 0.35 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 30.95 2ayz h MET 881 CO 0.02 0.00 -0.20 0.34 0.23 0.00 0.00 176.91 177.29 2ayz s ASP 882 N -4.49 -0.98 0.00 1.39 -1.08 -0.41 -4.98 116.67 106.12 2ayz s ASP 882 Ca -0.04 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2ayz s ASP 882 Cb 0.01 1.55 0.00 0.00 -1.46 0.00 0.00 42.92 43.02 2ayz s ASP 882 CO 0.06 -0.17 0.83 0.61 0.52 0.00 0.00 175.17 177.03 2ayz n GLY 883 N 5.04 1.35 0.99 2.66 0.00 -1.24 -4.70 105.19 109.29 2ayz n GLY 883 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.35 0.00 0.21 1.61 4.11 -1.26 -4.81 117.16 116.67 2ayz n TYR 884 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.04 2ayz n TYR 884 Cb 0.28 -0.01 0.76 0.00 -0.00 0.00 0.00 39.34 40.37 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 -0.01 0.00 0.00 -3.48 1.12 -1.88 0.27 114.38 110.40 2ayz h ARG 885 Ca -0.01 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.75 2ayz h ARG 885 Cb 0.93 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.88 2ayz h ARG 885 CO -0.00 0.00 -0.54 1.37 -3.11 0.00 0.00 179.97 177.68 2ayz h LEU 886 N 0.00 0.00 -0.41 3.80 -0.00 -1.91 -1.64 115.31 115.15 2ayz h LEU 886 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.82 2ayz h LEU 886 Cb 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2ayz h LEU 886 CO -0.00 0.54 -0.61 0.74 -0.00 0.00 0.00 178.44 179.11 2ayz h THR 887 N 0.00 1.18 -0.60 0.15 2.02 -0.78 -2.54 112.91 112.35 2ayz h THR 887 Ca -0.01 -2.30 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 2ayz h THR 887 Cb 1.05 2.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 2ayz h THR 887 CO 0.07 0.60 0.20 -0.61 0.37 0.00 0.00 175.52 176.15 2ayz h GLN 888 N 0.00 0.89 -0.87 6.66 4.15 -1.05 -1.00 115.11 123.89 2ayz h GLN 888 Ca -0.01 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 2ayz h GLN 888 Cb 1.29 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.79 2ayz h GLN 888 CO 0.08 0.76 0.45 -0.09 -1.93 0.00 0.00 178.83 178.10 2ayz h ARG 889 N 0.87 1.23 -0.82 1.69 1.12 -1.06 0.13 114.38 117.54 2ayz h ARG 889 Ca 0.20 -0.16 -0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2ayz h ARG 889 Cb 0.23 -0.23 -0.04 0.00 -0.01 0.00 0.00 29.97 29.91 2ayz h ARG 889 CO -0.01 0.92 0.50 0.82 -3.11 0.00 0.00 179.97 179.09 2ayz h ILE 890 N 1.23 1.23 -0.00 1.20 1.08 -0.93 0.17 117.51 121.48 2ayz h ILE 890 Ca 0.30 -0.48 -0.16 0.00 -0.39 0.00 0.00 64.86 64.13 2ayz h ILE 890 Cb 0.06 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.85 2ayz h ILE 890 CO -0.04 0.23 -0.75 0.08 -0.69 0.00 0.00 178.15 176.98 2ayz h ARG 891 N 1.13 0.05 0.01 2.37 0.11 -0.56 -2.40 114.38 115.09 2ayz h ARG 891 Ca 0.30 -0.04 -0.19 0.00 0.10 0.00 0.00 59.98 60.14 2ayz h ARG 891 Cb -0.06 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.01 2ayz h ARG 891 CO -0.06 0.78 -0.91 1.96 0.10 0.00 0.00 179.97 181.84 2ayz h GLN 892 N 0.03 0.05 -0.00 0.08 4.20 -0.52 -3.17 115.11 115.77 2ayz h GLN 892 Ca -0.01 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 2ayz h GLN 892 Cb 1.33 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 2ayz h GLN 892 CO 0.10 0.92 -0.70 1.25 -0.67 0.00 0.00 178.83 179.73 2ayz h LEU 893 N 0.02 0.00 0.00 1.46 6.46 -0.93 -3.48 115.31 118.85 2ayz h LEU 893 Ca -0.02 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2ayz h LEU 893 Cb 1.59 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 2ayz h LEU 893 CO 0.12 0.70 0.00 0.61 -0.62 0.00 0.00 178.44 179.26 2ayz n GLY 894 N 0.49 0.76 3.70 3.75 0.00 -1.06 -5.06 105.19 107.77 2ayz n GLY 894 Ca -0.01 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2ayz n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayz s LEU 895 N 0.00 4.36 -0.46 0.99 2.34 -0.93 -4.91 118.68 120.06 2ayz s LEU 895 Ca 0.00 2.40 0.04 0.00 0.06 0.00 0.00 54.13 56.63 2ayz s LEU 895 Cb 0.00 -3.57 0.42 0.00 -0.56 0.00 0.00 46.19 42.48 2ayz s LEU 895 CO 0.00 -0.80 1.26 0.35 -1.06 0.00 0.00 176.35 176.09 2ayz n THR 896 N 4.47 2.58 -3.62 5.48 -2.24 -1.26 -5.01 114.28 114.68 2ayz n THR 896 Ca 0.14 -4.67 -0.09 0.00 -2.27 0.00 0.00 64.05 57.16 2ayz n THR 896 Cb 0.41 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 2ayz n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayz s LEU 897 N -3.62 -0.40 -0.05 3.22 0.05 -1.26 -5.00 118.68 111.62 2ayz s LEU 897 Ca 0.50 0.67 -0.30 0.00 0.05 0.00 0.00 54.13 55.05 2ayz s LEU 897 Cb 0.41 1.83 -0.04 0.00 -2.05 0.00 0.00 46.19 46.34 2ayz s LEU 897 CO -0.17 -0.20 1.30 -2.84 -0.55 0.00 0.00 176.35 173.89 2ayz s PRO 898 N -0.21 4.30 -0.41 1.48 0.02 -1.26 -4.97 135.00 133.95 2ayz s PRO 898 Ca 0.02 1.79 -0.15 0.00 0.02 0.00 0.00 61.00 62.68 2ayz s PRO 898 Cb -0.04 -3.61 0.02 0.00 0.02 0.00 0.00 34.50 30.90 2ayz s PRO 898 CO -0.04 -0.54 0.31 0.08 -0.33 0.00 0.00 177.00 176.47 2ayz s VAL 899 N 2.53 5.25 -0.45 3.83 1.01 -1.08 -2.68 120.40 128.81 2ayz s VAL 899 Ca 0.59 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 2ayz s VAL 899 Cb -0.27 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2ayz s VAL 899 CO 0.23 -0.33 0.56 -0.63 0.00 0.00 0.00 175.10 174.93 2ayz s ILE 900 N 1.70 4.93 -0.59 2.22 1.01 0.31 -1.26 121.20 129.53 2ayz s ILE 900 Ca 0.05 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 2ayz s ILE 900 Cb -0.19 -4.17 0.08 0.00 0.01 0.00 0.00 42.46 38.19 2ayz s ILE 900 CO 0.10 -0.59 0.78 -0.83 0.00 0.00 0.00 174.94 174.40 2ayz s GLY 901 N 2.10 1.63 -0.20 6.18 0.00 0.10 -2.08 107.32 115.05 2ayz s GLY 901 Ca 0.17 -1.91 -0.11 0.00 0.00 0.00 0.00 44.72 42.87 2ayz s GLY 901 CO 0.15 1.73 0.18 0.54 0.00 0.00 0.00 173.10 175.70 2ayz s VAL 902 N 3.18 5.38 0.11 1.40 0.11 -0.87 -0.97 120.40 128.74 2ayz s VAL 902 Ca 0.17 0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 2ayz s VAL 902 Cb -0.20 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 2ayz s VAL 902 CO 0.10 0.41 0.13 0.42 -3.33 0.00 0.00 175.10 172.82 2ayz s THR 903 N 0.52 0.13 -0.10 5.04 -4.23 -0.51 -1.25 115.64 115.25 2ayz s THR 903 Ca 0.10 -1.58 -0.23 0.00 -1.18 0.00 0.00 61.69 58.80 2ayz s THR 903 Cb -0.12 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 2ayz s THR 903 CO 0.00 -0.59 0.67 0.00 -0.54 0.00 0.00 174.62 174.17 2ayz s ALA 904 N -3.95 3.39 -0.21 3.99 0.00 -0.22 -0.55 121.76 124.21 2ayz s ALA 904 Ca 0.14 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2ayz s ALA 904 Cb 0.06 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 2ayz s ALA 904 CO -0.04 -0.18 2.19 -1.71 0.00 0.00 0.00 175.76 176.02 2ayz n ASN 905 N 4.02 3.23 0.00 0.00 5.15 -1.26 -4.73 115.26 121.67 2ayz n ASN 905 Ca -0.02 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 2ayz n ASN 905 Cb 0.51 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 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 11.03 2.05 -2.27 5.20 0.00 -1.26 -5.02 120.51 130.23 2ayz n ALA 906 Ca 0.30 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 2ayz n ALA 906 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 2ayz n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayz n LEU 907 N -0.67 -1.63 0.00 0.00 7.94 -1.26 -4.82 117.00 116.56 2ayz n LEU 907 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2ayz n LEU 907 Cb 0.00 -2.01 0.00 0.00 0.53 0.00 0.00 43.42 41.94 2ayz n LEU 907 CO 0.00 -0.12 -0.03 0.00 -1.11 0.00 0.00 177.39 176.14 2ayz n ALA 908 N -1.70 0.41 0.28 1.96 0.00 -1.26 -4.81 120.51 115.40 2ayz n ALA 908 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.47 2ayz n ALA 908 Cb 0.61 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.79 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 0.00 0.00 0.06 0.00 9.09 -1.87 -2.63 114.58 119.23 2ayz h GLU 909 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ayz h GLU 909 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ayz h GLU 909 CO 0.00 0.00 -0.03 1.05 0.05 0.00 0.00 179.01 180.08 2ayz h GLU 910 N 0.00 -0.08 -0.03 1.06 -0.00 -1.99 0.05 114.58 113.59 2ayz h GLU 910 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 59.36 59.27 2ayz h GLU 910 Cb 0.47 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.23 2ayz h GLU 910 CO 0.00 0.24 -0.43 -0.22 -0.00 0.00 0.00 179.01 178.60 2ayz h LYS 911 N -0.40 0.07 -0.14 1.06 3.11 -1.91 -2.48 116.57 115.88 2ayz h LYS 911 Ca -0.01 -0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 57.62 2ayz h LYS 911 Cb 0.36 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2ayz h LYS 911 CO 0.01 0.49 -0.66 1.96 -2.81 0.00 0.00 179.45 178.44 2ayz h GLN 912 N 0.06 0.55 0.00 1.90 7.50 -1.33 -1.27 115.11 122.52 2ayz h GLN 912 Ca 0.00 -0.40 -0.07 0.00 0.50 0.00 0.00 58.65 58.68 2ayz h GLN 912 Cb 0.78 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.37 2ayz h GLN 912 CO 0.06 1.03 -0.32 -0.09 -1.50 0.00 0.00 178.83 178.00 2ayz h ARG 913 N 0.40 0.00 -0.11 1.46 2.43 -0.81 0.43 114.38 118.17 2ayz h ARG 913 Ca -0.02 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2ayz h ARG 913 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2ayz h ARG 913 CO 0.12 0.32 -0.52 0.00 -1.51 0.00 0.00 179.97 178.38 2ayz h LEU 915 N 0.24 -0.15 0.11 0.00 3.38 -0.02 -3.36 115.31 115.51 2ayz h LEU 915 Ca 0.01 -0.40 -0.20 0.00 0.09 0.00 0.00 57.88 57.38 2ayz h LEU 915 Cb 1.00 0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.81 2ayz h LEU 915 CO 0.08 0.39 -0.85 1.05 0.09 0.00 0.00 178.44 179.21 2ayz h GLU 916 N -0.78 0.38 -6.66 1.13 9.09 -1.07 -3.48 114.58 113.19 2ayz h GLU 916 Ca -0.02 -0.56 -0.53 0.00 0.05 0.00 0.00 59.36 58.30 2ayz h GLU 916 Cb 0.54 0.19 -0.07 0.00 -1.65 0.00 0.00 28.75 27.76 2ayz h GLU 916 CO 0.03 1.23 -0.93 0.43 0.05 0.00 0.00 179.01 179.83 2ayz n SER 917 N -4.09 -0.95 0.00 3.06 7.64 0.03 -4.38 113.62 114.93 2ayz n SER 917 Ca -0.13 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2ayz n SER 917 Cb 0.82 -2.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.45 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 -2.12 -0.80 0.00 0.23 0.00 -1.26 -4.95 105.19 96.29 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 1.03 0.00 0.00 0.00 173.32 174.35 2ayz n MET 919 N -0.02 0.00 0.00 1.61 2.81 -1.26 -4.58 117.12 115.68 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 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 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 -4.23 7.83 -0.08 -0.39 -2.64 116.55 117.04 2ayz n ASP 920 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2ayz n ASP 920 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2ayz n ASP 920 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2ayz s SER 921 N 0.00 0.83 -0.04 1.67 1.04 -1.09 -5.02 113.70 111.09 2ayz s SER 921 Ca 0.00 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.18 2ayz s SER 921 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.35 2ayz s SER 921 CO 0.00 -0.68 -0.03 0.00 0.98 0.00 0.00 173.24 173.51 2ayz n LEU 923 N 4.08 0.00 -4.35 0.00 4.77 -0.14 -4.95 117.00 116.41 2ayz n LEU 923 Ca -0.25 -1.48 -0.32 0.00 -0.03 0.00 0.00 56.01 53.93 2ayz n LEU 923 Cb 0.51 0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 41.82 2ayz n LEU 923 CO 0.23 -0.22 -0.53 -0.44 -1.33 0.00 0.00 177.39 175.10 2ayz s SER 924 N -2.23 3.39 0.11 -1.43 0.01 -1.26 -1.42 113.70 110.88 2ayz s SER 924 Ca 0.06 -0.39 -0.09 0.00 1.31 0.00 0.00 55.95 56.84 2ayz s SER 924 Cb 0.00 -0.69 0.12 0.00 0.21 0.00 0.00 66.02 65.66 2ayz s SER 924 CO 0.05 0.30 0.78 1.17 0.41 0.00 0.00 173.24 175.94 2ayz n LYS 925 N 2.60 -0.12 -1.10 12.44 4.81 0.29 -3.13 118.16 133.94 2ayz n LYS 925 Ca -0.17 0.77 -0.41 0.00 -0.87 0.00 0.00 58.31 57.63 2ayz n LYS 925 Cb 0.52 -1.15 -0.05 0.00 0.02 0.00 0.00 35.03 34.37 2ayz n LYS 925 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2ayz n PRO 926 N -4.73 1.53 -2.59 1.64 -0.04 -1.26 -4.88 135.00 124.67 2ayz n PRO 926 Ca 0.05 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.30 2ayz n PRO 926 Cb 0.20 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 30.77 2ayz n PRO 926 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayz s VAL 927 N 4.86 3.87 0.96 0.52 1.01 -1.19 -5.02 120.40 125.43 2ayz s VAL 927 Ca 0.55 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 2ayz s VAL 927 Cb 0.14 -4.83 0.22 0.00 0.00 0.00 0.00 36.38 31.91 2ayz s VAL 927 CO 0.10 -1.65 1.30 0.35 0.00 0.00 0.00 175.10 175.21 2ayz n THR 928 N 6.43 0.00 -0.10 3.92 -2.24 -1.26 -4.74 114.28 116.29 2ayz n THR 928 Ca 0.04 -0.99 -0.08 0.00 -2.27 0.00 0.00 64.05 60.76 2ayz n THR 928 Cb 0.49 -1.50 -0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 0.30 -0.02 3.22 7.12 -1.96 -0.05 115.31 123.92 2ayz h LEU 929 Ca -0.42 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.33 2ayz h LEU 929 Cb 1.17 -0.06 0.01 0.00 -0.53 0.00 0.00 40.66 41.25 2ayz h LEU 929 CO 0.30 0.22 -1.09 -0.78 -0.13 0.00 0.00 178.44 176.97 2ayz h ASP 930 N 0.39 0.69 -0.42 1.25 3.58 -1.98 -1.18 116.42 118.75 2ayz h ASP 930 Ca 0.13 -0.60 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2ayz h ASP 930 Cb 0.01 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 2ayz h ASP 930 CO -0.07 1.41 0.21 0.58 -2.88 0.00 0.00 179.24 178.50 2ayz h VAL 931 N 0.26 1.17 0.00 2.25 2.07 -1.89 -0.05 116.25 120.05 2ayz h VAL 931 Ca -0.13 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2ayz h VAL 931 Cb 1.75 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2ayz h VAL 931 CO 0.20 0.18 -0.38 -0.29 0.02 0.00 0.00 177.57 177.30 2ayz h ILE 932 N 0.53 1.14 -0.06 4.57 2.10 -1.01 -2.65 117.51 122.13 2ayz h ILE 932 Ca 0.14 -1.34 -0.03 0.00 1.08 0.00 0.00 64.86 64.71 2ayz h ILE 932 Cb 0.09 1.75 -0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2ayz h ILE 932 CO -0.02 0.37 -0.08 0.50 -1.08 0.00 0.00 178.15 177.83 2ayz h LYS 933 N 0.00 0.17 -0.52 2.19 3.64 -0.33 0.61 116.57 122.33 2ayz h LYS 933 Ca -0.00 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 2ayz h LYS 933 Cb 0.72 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2ayz h LYS 933 CO 0.05 0.64 -0.04 -0.56 -2.27 0.00 0.00 179.45 177.27 2ayz h GLN 934 N -0.30 0.91 -0.10 1.90 3.07 -1.04 0.29 115.11 119.84 2ayz h GLN 934 Ca 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 58.65 58.45 2ayz h GLN 934 Cb 0.62 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 2ayz h GLN 934 CO 0.02 0.92 0.01 1.15 0.09 0.00 0.00 178.83 181.03 2ayz h THR 935 N 0.83 1.23 -0.06 1.86 2.02 -1.45 -0.20 112.91 117.14 2ayz h THR 935 Ca 0.15 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.62 2ayz h THR 935 Cb 0.55 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2ayz h THR 935 CO 0.03 0.20 0.02 -0.07 0.37 0.00 0.00 175.52 176.07 2ayz h LEU 936 N -0.08 0.02 -0.48 2.58 -0.00 -0.74 -1.12 115.31 115.49 2ayz h LEU 936 Ca 0.03 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2ayz h LEU 936 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2ayz h LEU 936 CO 0.00 0.02 0.20 0.74 -0.00 0.00 0.00 178.44 179.40 2ayz h THR 937 N 0.05 1.20 -0.23 0.22 2.02 -0.91 0.11 112.91 115.37 2ayz h THR 937 Ca 0.02 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2ayz h THR 937 Cb 0.01 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2ayz h THR 937 CO -0.03 0.23 0.05 0.25 0.37 0.00 0.00 175.52 176.40 2ayz h LEU 938 N 0.63 0.34 -0.61 2.58 5.85 -0.90 -2.27 115.31 120.94 2ayz h LEU 938 Ca 0.16 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2ayz h LEU 938 Cb 0.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2ayz h LEU 938 CO -0.01 0.49 -0.48 1.88 -0.34 0.00 0.00 178.44 179.97 2ayz h TYR 939 N 0.18 0.00 0.11 1.25 0.05 -1.11 -2.19 116.97 115.27 2ayz h TYR 939 Ca 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 2ayz h TYR 939 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2ayz h TYR 939 CO 0.01 0.48 -0.05 0.00 -1.05 0.00 0.00 178.16 177.55 2ayz h ALA 940 N 1.52 -0.15 -0.09 3.88 0.00 -0.63 0.07 119.26 123.86 2ayz h ALA 940 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ayz h ALA 940 Cb 1.11 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ayz h ALA 940 CO 0.06 -0.52 -0.05 1.05 0.00 0.00 0.00 179.25 179.80 2ayz h GLU 941 N -0.28 0.13 -0.09 0.00 4.11 -1.33 -0.28 114.58 116.85 2ayz h GLU 941 Ca -0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 2ayz h GLU 941 Cb 0.23 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ayz h GLU 941 CO 0.03 0.20 -0.07 -0.09 0.07 0.00 0.00 179.01 179.14 2ayz h ARG 942 N 0.13 0.22 -0.01 1.06 9.65 -0.98 -0.11 114.38 124.34 2ayz h ARG 942 Ca 0.03 -0.11 -0.12 0.00 -1.10 0.00 0.00 59.98 58.69 2ayz h ARG 942 Cb 0.18 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2ayz h ARG 942 CO 0.01 0.62 -0.56 -0.39 2.80 0.00 0.00 179.97 182.44 2ayz h VAL 943 N -0.18 1.40 -0.37 0.20 -1.51 -0.70 0.05 116.25 115.14 2ayz h VAL 943 Ca 0.02 -1.93 -0.11 0.00 -1.23 0.00 0.00 66.70 63.44 2ayz h VAL 943 Cb 0.57 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2ayz h VAL 943 CO 0.02 0.55 -0.23 0.03 -1.23 0.00 0.00 177.57 176.71 2ayz h ARG 944 N 0.01 0.74 -0.35 5.19 2.47 -1.00 -0.18 114.38 121.26 2ayz h ARG 944 Ca -0.01 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.38 2ayz h ARG 944 Cb 1.00 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 2ayz h ARG 944 CO 0.07 0.90 0.06 0.87 0.56 0.00 0.00 179.97 182.44 2ayz h LYS 945 N 0.64 0.58 0.00 0.04 1.57 -0.48 0.04 116.57 118.97 2ayz h LYS 945 Ca 0.09 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ayz h LYS 945 Cb 0.73 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 2ayz h LYS 945 CO 0.06 0.65 -0.12 0.77 -0.57 0.00 0.00 179.45 180.24 2ayz h SER 946 N 0.42 0.00 0.00 0.86 0.02 -0.82 0.92 113.55 114.95 2ayz h SER 946 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2ayz h SER 946 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2ayz h SER 946 CO 0.01 0.12 -0.04 0.03 -1.14 0.00 0.00 176.83 175.80 2ayz h ARG 947 N 0.00 0.00 0.00 3.45 -0.00 -0.53 -3.37 114.38 113.93 2ayz h ARG 947 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2ayz h ARG 947 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.21 2ayz h ARG 947 CO 0.02 0.00 -0.19 -3.47 0.00 0.00 0.00 179.97 176.32 2ayz n ASP 948 N -4.28 0.76 0.00 7.04 -0.08 -0.04 -5.09 116.55 114.86 2ayz n ASP 948 Ca -0.01 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.70 2ayz n ASP 948 Cb 0.02 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 42.99 2ayz n ASP 948 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12