#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nye s ASN 814 N 0.00 6.74 -0.24 -1.84 0.01 -1.26 -4.22 114.94 114.13 1nye s ASN 814 Ca 0.00 1.41 -0.01 0.00 -0.71 0.00 0.00 52.86 53.55 1nye s ASN 814 Cb 0.00 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1nye s ASN 814 CO 0.00 -0.36 0.17 0.18 -1.51 0.00 0.00 177.10 175.58 1nye n LEU 815 N -0.86 -2.07 -4.21 0.60 4.77 -1.26 -4.99 117.00 108.98 1nye n LEU 815 Ca 0.05 -0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 1nye n LEU 815 Cb 0.54 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1nye n LEU 815 CO 0.42 0.09 0.77 0.00 -1.33 0.00 0.00 177.39 177.34 1nye n TYR 816 N -3.09 4.47 0.13 -1.77 -0.00 -1.26 -4.83 117.16 110.81 1nye n TYR 816 Ca -0.01 -3.69 0.03 0.00 -0.00 0.00 0.00 57.90 54.24 1nye n TYR 816 Cb 0.51 -1.50 0.43 0.00 -0.00 0.00 0.00 39.34 38.79 1nye n TYR 816 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.86 177.60 1nye h PHE 817 N 6.23 0.23 -0.18 2.98 0.04 -1.96 -3.20 116.94 121.06 1nye h PHE 817 Ca 0.18 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.97 1nye h PHE 817 Cb 0.80 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.82 1nye h PHE 817 CO 0.80 0.31 -0.51 1.96 -0.60 0.00 0.00 178.31 180.27 1nye h GLN 818 N 0.21 -0.50 0.00 1.51 7.50 -1.97 -1.85 115.11 120.01 1nye h GLN 818 Ca 0.05 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.23 1nye h GLN 818 Cb 0.28 0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.93 1nye h GLN 818 CO 0.01 -0.34 0.00 0.41 -1.50 0.00 0.00 178.83 177.42 1nye n GLY 819 N -1.43 0.00 0.00 3.46 0.00 -1.21 0.95 105.19 106.96 1nye n GLY 819 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nye n GLY 819 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nye n HIS 820 N 0.16 0.00 -2.04 1.61 8.25 -0.71 -5.08 115.22 117.41 1nye n HIS 820 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1nye n HIS 820 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1nye n HIS 820 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1nye s MET 821 N -0.34 4.24 -0.48 -0.41 0.00 0.27 -4.99 119.30 117.59 1nye s MET 821 Ca 0.00 2.20 -0.15 0.00 0.00 0.00 0.00 55.69 57.74 1nye s MET 821 Cb 0.00 -3.50 0.08 0.00 0.00 0.00 0.00 34.83 31.41 1nye s MET 821 CO 0.00 -0.64 0.40 -0.08 0.00 0.00 0.00 175.02 174.70 1nye s THR 822 N 2.23 5.20 0.17 10.11 -1.32 -1.26 -5.05 115.64 125.72 1nye s THR 822 Ca 0.69 -1.11 -0.32 0.00 -1.21 0.00 0.00 61.69 59.75 1nye s THR 822 Cb -0.37 -4.13 -0.10 0.00 -1.51 0.00 0.00 72.50 66.39 1nye s THR 822 CO 0.30 -0.60 1.62 -0.63 -2.21 0.00 0.00 174.62 173.10 1nye s ILE 823 N 1.63 2.51 -0.11 5.08 1.01 -1.26 -5.02 121.20 125.04 1nye s ILE 823 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1nye s ILE 823 Cb -0.25 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1nye s ILE 823 CO 0.06 0.02 -0.12 -1.00 0.00 0.00 0.00 174.94 173.90 1nye s HIS 824 N 1.32 2.82 -0.02 3.97 3.76 -1.26 -5.11 115.29 120.76 1nye s HIS 824 Ca 0.72 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1nye s HIS 824 Cb -0.45 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 31.43 1nye s HIS 824 CO 0.32 -0.10 -0.12 0.15 -0.85 0.00 0.00 174.74 174.14 1nye s LYS 825 N 0.10 1.09 0.14 1.40 3.01 -1.26 -5.16 119.74 119.06 1nye s LYS 825 Ca -0.05 -0.41 0.10 0.00 -1.01 0.00 0.00 55.97 54.59 1nye s LYS 825 Cb -0.15 -1.02 -0.04 0.00 -1.01 0.00 0.00 37.83 35.61 1nye s LYS 825 CO 0.04 0.20 -0.22 0.15 0.51 0.00 0.00 175.35 176.03 1nye s LYS 826 N -0.06 1.31 0.09 1.68 1.02 -1.26 -5.09 119.74 117.42 1nye s LYS 826 Ca 0.01 -1.34 -0.01 0.00 0.02 0.00 0.00 55.97 54.64 1nye s LYS 826 Cb -0.07 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 1nye s LYS 826 CO 0.00 0.35 0.01 0.20 -0.92 0.00 0.00 175.35 175.00 1nye s GLY 827 N -2.29 0.70 0.05 -3.33 0.00 -1.26 -1.69 107.32 99.51 1nye s GLY 827 Ca 0.13 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1nye s GLY 827 CO 0.06 -1.33 0.26 1.62 0.00 0.00 0.00 173.10 173.71 1nye s GLN 828 N -3.98 0.79 0.04 2.90 0.74 0.32 -4.91 119.66 115.56 1nye s GLN 828 Ca 0.15 -0.60 -0.08 0.00 0.05 0.00 0.00 55.36 54.88 1nye s GLN 828 Cb 0.08 0.34 -0.00 0.00 1.10 0.00 0.00 33.01 34.52 1nye s GLN 828 CO -0.05 -0.25 0.15 0.00 -0.55 0.00 0.00 175.29 174.59 1nye s ALA 829 N -2.78 -0.23 0.04 1.58 0.00 -1.26 0.24 121.76 119.35 1nye s ALA 829 Ca -0.03 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1nye s ALA 829 Cb -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1nye s ALA 829 CO -0.05 -0.34 -0.12 -1.58 0.00 0.00 0.00 175.76 173.67 1nye s HIS 830 N -2.57 1.05 -0.05 0.00 2.46 0.52 -4.99 115.29 111.70 1nye s HIS 830 Ca -0.05 -0.36 -0.11 0.00 0.47 0.00 0.00 55.06 55.01 1nye s HIS 830 Cb -0.01 -0.62 0.02 0.00 -0.13 0.00 0.00 32.58 31.84 1nye s HIS 830 CO -0.04 0.01 0.25 -0.46 -2.47 0.00 0.00 174.74 172.03 1nye s TRP 831 N -0.91 -0.19 -0.02 3.88 -0.11 -1.26 -0.69 118.94 119.64 1nye s TRP 831 Ca -0.01 0.41 -0.01 0.00 1.22 0.00 0.00 56.10 57.71 1nye s TRP 831 Cb -0.08 0.07 0.01 0.00 -1.50 0.00 0.00 33.47 31.97 1nye s TRP 831 CO 0.01 -0.25 0.03 -1.21 -4.62 0.00 0.00 176.95 170.92 1nye s GLU 832 N -0.62 0.02 0.47 5.86 2.02 -0.89 -5.02 118.70 120.53 1nye s GLU 832 Ca -0.07 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1nye s GLU 832 Cb -0.04 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.13 1nye s GLU 832 CO 0.02 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1nye n GLY 833 N 3.42 -1.90 2.26 -1.39 0.00 -1.26 -2.38 105.19 103.94 1nye n GLY 833 Ca -0.17 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 1nye n GLY 833 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nye n ASP 834 N -3.03 -4.18 0.20 1.61 -0.08 -1.26 -4.32 116.55 105.48 1nye n ASP 834 Ca 0.01 0.20 -0.08 0.00 -1.51 0.00 0.00 54.79 53.40 1nye n ASP 834 Cb 0.39 -0.58 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 1nye n ASP 834 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nye h ILE 835 N -0.61 0.00 0.00 5.18 5.03 -1.92 0.64 117.51 125.83 1nye h ILE 835 Ca -0.32 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 1nye h ILE 835 Cb 0.99 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 1nye h ILE 835 CO 0.20 0.00 -0.16 1.17 -0.68 0.00 0.00 178.15 178.68 1nye n LYS 836 N -3.91 0.08 -0.05 2.37 0.00 -1.26 -3.90 118.16 111.48 1nye n LYS 836 Ca -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 58.31 58.27 1nye n LYS 836 Cb 0.21 -1.58 -0.11 0.00 0.00 0.00 0.00 35.03 33.54 1nye n LYS 836 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1nye n ARG 837 N -1.71 1.32 -1.95 1.64 3.00 -1.24 -4.94 116.66 112.77 1nye n ARG 837 Ca 0.06 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.85 57.57 1nye n ARG 837 Cb 0.37 -1.36 0.16 0.00 0.00 0.00 0.00 32.46 31.63 1nye n ARG 837 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nye s GLY 838 N -4.44 1.75 0.36 5.14 0.00 0.22 -4.81 107.32 105.54 1nye s GLY 838 Ca -0.07 -1.12 0.09 0.00 0.00 0.00 0.00 44.72 43.62 1nye s GLY 838 CO 0.60 -0.41 0.02 0.54 0.00 0.00 0.00 173.10 173.85 1nye s LYS 839 N -5.80 2.05 0.04 2.90 -0.14 -1.00 -4.82 119.74 112.97 1nye s LYS 839 Ca 0.71 -1.83 -0.17 0.00 -1.36 0.00 0.00 55.97 53.33 1nye s LYS 839 Cb -0.05 -1.88 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1nye s LYS 839 CO 0.52 0.08 0.38 0.20 -0.76 0.00 0.00 175.35 175.77 1nye s GLY 840 N -3.73 -0.23 0.00 -3.33 0.00 -1.14 -2.10 107.32 96.79 1nye s GLY 840 Ca 0.35 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 1nye s GLY 840 CO 0.19 0.01 0.03 -0.51 0.00 0.00 0.00 173.10 172.82 1nye s THR 841 N -2.39 0.07 0.04 0.90 -4.23 0.13 -0.98 115.64 109.18 1nye s THR 841 Ca -0.06 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1nye s THR 841 Cb -0.01 -0.24 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 1nye s THR 841 CO -0.02 -0.31 -0.21 0.68 -0.54 0.00 0.00 174.62 174.22 1nye s VAL 842 N -0.96 2.60 0.06 2.29 -7.23 0.12 -0.36 120.40 116.92 1nye s VAL 842 Ca -0.11 -1.25 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1nye s VAL 842 Cb -0.06 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1nye s VAL 842 CO -0.00 0.35 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.64 1nye s SER 843 N -1.38 0.79 0.09 4.85 0.01 0.14 -1.50 113.70 116.70 1nye s SER 843 Ca 0.14 -0.78 0.10 0.00 1.31 0.00 0.00 55.95 56.72 1nye s SER 843 Cb -0.10 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 1nye s SER 843 CO 0.04 -0.38 -0.26 -0.89 0.41 0.00 0.00 173.24 172.16 1nye s THR 844 N -2.60 2.26 0.30 1.44 2.01 0.27 -0.52 115.64 118.80 1nye s THR 844 Ca -0.01 -1.56 -0.00 0.00 0.31 0.00 0.00 61.69 60.43 1nye s THR 844 Cb -0.02 -1.95 0.20 0.00 0.01 0.00 0.00 72.50 70.75 1nye s THR 844 CO -0.03 0.22 1.90 1.05 -0.69 0.00 0.00 174.62 177.07 1nye h GLU 845 N 4.30 0.85 0.00 4.92 4.11 -1.66 -0.32 114.58 126.78 1nye h GLU 845 Ca -0.49 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 58.82 1nye h GLU 845 Cb 1.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1nye h GLU 845 CO 0.42 0.68 0.00 0.66 0.07 0.00 0.00 179.01 180.84 1nye h SER 846 N 0.85 0.00 0.00 3.06 4.64 -1.96 -3.46 113.55 116.68 1nye h SER 846 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1nye h SER 846 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1nye h SER 846 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1nye n GLY 847 N 0.02 1.51 0.58 -0.77 0.00 -0.13 -4.90 105.19 101.49 1nye n GLY 847 Ca 0.02 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.43 1nye n GLY 847 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nye h VAL 848 N 0.00 0.27 -3.29 1.61 2.07 -1.90 -2.28 116.25 112.74 1nye h VAL 848 Ca 0.00 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.90 1nye h VAL 848 Cb 0.00 0.28 -0.40 0.00 -1.52 0.00 0.00 31.29 29.65 1nye h VAL 848 CO 0.00 0.00 -0.71 -0.76 0.02 0.00 0.00 177.57 176.12 1nye s LEU 849 N -8.11 3.47 0.00 2.57 1.43 -1.26 -5.00 118.68 111.78 1nye s LEU 849 Ca -0.05 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.68 1nye s LEU 849 Cb 0.23 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1nye s LEU 849 CO 0.81 -0.32 0.66 -3.20 0.23 0.00 0.00 176.35 174.53 1nye n ASN 850 N 3.92 0.00 -2.97 2.29 2.85 -0.86 -0.57 115.26 119.92 1nye n ASN 850 Ca 0.04 0.78 -0.14 0.00 -0.11 0.00 0.00 54.58 55.15 1nye n ASN 850 Cb 0.37 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1nye n ASN 850 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nye n GLN 851 N -1.73 1.04 -1.68 1.20 6.02 -1.24 -4.06 117.38 116.92 1nye n GLN 851 Ca 0.00 -3.18 -0.44 0.00 -0.01 0.00 0.00 57.00 53.37 1nye n GLN 851 Cb 0.00 -1.45 -0.04 0.00 1.02 0.00 0.00 30.24 29.77 1nye n GLN 851 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nye n GLN 852 N 0.14 2.55 -2.62 -1.09 1.13 -0.56 -4.55 117.38 112.38 1nye n GLN 852 Ca 0.18 0.93 -0.36 0.00 -1.94 0.00 0.00 57.00 55.80 1nye n GLN 852 Cb 0.72 -2.79 -0.05 0.00 0.11 0.00 0.00 30.24 28.23 1nye n GLN 852 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nye s PRO 853 N 2.64 4.23 -0.18 -1.09 0.04 -1.26 0.14 135.00 139.51 1nye s PRO 853 Ca 0.83 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 1nye s PRO 853 Cb -0.56 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.51 1nye s PRO 853 CO 0.40 -0.07 0.56 1.52 0.04 0.00 0.00 177.00 179.45 1nye s TYR 854 N -1.73 -0.59 0.00 0.56 1.13 -0.15 -4.05 117.35 112.52 1nye s TYR 854 Ca 0.57 1.39 0.00 0.00 -1.41 0.00 0.00 57.07 57.62 1nye s TYR 854 Cb -0.20 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 1nye s TYR 854 CO 0.25 -0.33 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 1nye n GLY 855 N 2.50 4.52 0.09 5.49 0.00 -1.26 -2.90 105.19 113.63 1nye n GLY 855 Ca -0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 1nye n GLY 855 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nye h PHE 856 N 0.00 0.00 0.00 1.61 3.04 -1.88 -3.05 116.94 116.66 1nye h PHE 856 Ca 0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1nye h PHE 856 Cb 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1nye h PHE 856 CO 0.00 0.75 -0.16 -2.95 -2.02 0.00 0.00 178.31 173.93 1nye h ASN 857 N 0.00 0.00 -0.38 0.41 -0.00 -1.93 -2.59 115.58 111.09 1nye h ASN 857 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.17 1nye h ASN 857 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.00 1nye h ASN 857 CO 0.08 0.16 0.00 0.35 -0.00 0.00 0.00 177.43 178.02 1nye n THR 858 N -3.31 0.72 0.00 6.14 -2.24 -1.24 -2.98 114.28 111.37 1nye n THR 858 Ca 0.00 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1nye n THR 858 Cb 0.40 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1nye n THR 858 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1nye n ARG 859 N 1.01 0.00 0.12 -0.78 3.00 -1.00 -4.48 116.66 114.53 1nye n ARG 859 Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.12 1nye n ARG 859 Cb 0.49 -0.15 0.09 0.00 0.00 0.00 0.00 32.46 32.89 1nye n ARG 859 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1nye h PHE 860 N 0.00 0.00 -1.85 -0.14 0.04 -1.78 -3.47 116.94 109.74 1nye h PHE 860 Ca 0.00 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.33 1nye h PHE 860 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 1nye h PHE 860 CO 0.00 0.00 -0.11 -1.21 -0.60 0.00 0.00 178.31 176.39 1nye s GLU 861 N -3.28 2.52 -0.55 1.51 8.01 -1.23 -5.02 118.70 120.67 1nye s GLU 861 Ca 0.03 -1.10 -0.02 0.00 0.01 0.00 0.00 54.97 53.89 1nye s GLU 861 Cb 0.09 -2.59 0.24 0.00 -4.31 0.00 0.00 34.13 27.56 1nye s GLU 861 CO 0.74 -0.65 2.28 0.41 0.01 0.00 0.00 175.26 178.05 1nye n GLY 862 N -2.20 4.85 3.48 -1.39 0.00 -1.26 -4.63 105.19 104.03 1nye n GLY 862 Ca 0.10 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1nye n GLY 862 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nye s GLU 863 N -2.67 3.29 -0.35 1.61 2.02 -1.16 -5.03 118.70 116.42 1nye s GLU 863 Ca 0.52 -0.77 -0.40 0.00 0.02 0.00 0.00 54.97 54.33 1nye s GLU 863 Cb 0.39 -3.76 -0.15 0.00 0.10 0.00 0.00 34.13 30.70 1nye s GLU 863 CO -0.16 -0.51 1.91 1.17 0.02 0.00 0.00 175.26 177.68 1nye n LYS 864 N 5.07 0.89 -3.04 1.61 4.81 -1.26 -4.29 118.16 121.94 1nye n LYS 864 Ca -0.13 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1nye n LYS 864 Cb 0.49 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1nye n LYS 864 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nye n GLY 865 N 5.26 -1.24 3.92 3.14 0.00 -1.26 -5.01 105.19 109.99 1nye n GLY 865 Ca 0.35 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 1nye n GLY 865 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nye s THR 866 N -2.97 5.02 0.17 2.61 2.01 -1.26 -5.01 115.64 116.21 1nye s THR 866 Ca 0.00 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 1nye s THR 866 Cb 0.00 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1nye s THR 866 CO 0.00 -0.52 0.72 0.54 -0.69 0.00 0.00 174.62 174.67 1nye s ASN 867 N -3.65 -0.40 0.24 3.53 4.22 -1.26 -4.33 114.94 113.28 1nye s ASN 867 Ca 0.44 -0.23 -0.07 0.00 -2.14 0.00 0.00 52.86 50.85 1nye s ASN 867 Cb -0.10 0.59 0.22 0.00 1.28 0.00 0.00 41.25 43.25 1nye s ASN 867 CO 0.35 -1.02 1.91 -0.65 -2.04 0.00 0.00 177.10 175.65 1nye h PRO 868 N 2.00 1.21 0.22 3.55 0.11 -1.97 -3.14 132.00 133.98 1nye h PRO 868 Ca -0.27 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1nye h PRO 868 Cb 1.27 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1nye h PRO 868 CO 0.31 0.80 -0.16 0.93 -0.21 0.00 0.00 178.00 179.67 1nye h GLU 869 N 1.25 -0.38 0.00 1.05 3.07 -1.98 -1.33 114.58 116.26 1nye h GLU 869 Ca 0.34 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 1nye h GLU 869 Cb -0.14 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1nye h GLU 869 CO -0.07 -0.25 -0.12 1.05 -1.40 0.00 0.00 179.01 178.22 1nye h GLU 870 N -0.39 0.00 -0.24 2.33 4.11 -1.96 0.12 114.58 118.55 1nye h GLU 870 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1nye h GLU 870 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1nye h GLU 870 CO -0.00 0.12 -0.07 -0.07 0.07 0.00 0.00 179.01 179.06 1nye h LEU 871 N 0.00 0.47 -0.25 3.06 4.07 -1.38 -0.19 115.31 121.09 1nye h LEU 871 Ca -0.00 -0.37 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 1nye h LEU 871 Cb 0.26 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1nye h LEU 871 CO 0.02 0.74 0.08 0.40 -1.08 0.00 0.00 178.44 178.59 1nye h ILE 872 N 0.21 1.20 -0.88 1.22 2.04 -0.14 0.93 117.51 122.08 1nye h ILE 872 Ca 0.06 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.38 1nye h ILE 872 Cb 0.54 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1nye h ILE 872 CO 0.03 0.20 0.53 1.23 0.00 0.00 0.00 178.15 180.14 1nye h GLY 873 N 0.23 1.36 0.81 5.37 0.00 -0.71 0.40 103.07 110.53 1nye h GLY 873 Ca 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1nye h GLY 873 CO -0.00 0.18 0.02 0.00 0.00 0.00 0.00 176.54 176.74 1nye h ALA 874 N 1.46 0.19 -0.44 3.60 0.00 -0.65 -0.59 119.26 122.83 1nye h ALA 874 Ca 0.41 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1nye h ALA 874 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1nye h ALA 874 CO -0.23 -0.15 0.14 0.00 0.00 0.00 0.00 179.25 179.02 1nye h ALA 875 N 0.80 0.52 -0.22 0.00 0.00 0.20 -2.01 119.26 118.55 1nye h ALA 875 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nye h ALA 875 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nye h ALA 875 CO 0.00 -0.25 0.13 1.25 0.00 0.00 0.00 179.25 180.38 1nye h HIS 876 N 0.30 0.29 -0.47 0.00 6.17 -0.07 -0.57 115.15 120.80 1nye h HIS 876 Ca 0.21 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.34 1nye h HIS 876 Cb 0.22 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 30.01 1nye h HIS 876 CO -0.17 0.23 0.19 0.00 0.71 0.00 0.00 177.93 178.90 1nye h ALA 877 N 1.03 0.58 -0.22 5.26 0.00 -0.80 -1.49 119.26 123.63 1nye h ALA 877 Ca 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1nye h ALA 877 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nye h ALA 877 CO -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 179.25 178.98 1nye h ALA 878 N 1.29 0.30 -0.18 0.00 0.00 -1.19 -0.93 119.26 118.56 1nye h ALA 878 Ca 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nye h ALA 878 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nye h ALA 878 CO -0.20 0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.23 1nye h PHE 880 N 0.16 -0.12 -0.39 0.00 3.04 -1.29 -0.19 116.94 118.15 1nye h PHE 880 Ca 0.07 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.09 1nye h PHE 880 Cb 0.03 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.53 1nye h PHE 880 CO -0.10 -0.08 0.06 0.77 -2.02 0.00 0.00 178.31 176.94 1nye h SER 881 N -0.11 -0.03 -0.25 0.41 0.02 -0.98 0.94 113.55 113.55 1nye h SER 881 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1nye h SER 881 Cb 0.10 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1nye h SER 881 CO -0.01 0.02 0.08 -0.03 -1.14 0.00 0.00 176.83 175.75 1nye h MET 882 N 0.18 0.38 -0.91 3.45 4.05 -1.10 -2.56 114.93 118.41 1nye h MET 882 Ca 0.19 -0.08 0.12 0.00 -0.28 0.00 0.00 59.70 59.65 1nye h MET 882 Cb 0.24 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.91 1nye h MET 882 CO -0.26 0.45 0.59 0.00 0.23 0.00 0.00 176.91 177.91 1nye h ALA 883 N 0.92 1.69 -0.46 0.39 0.00 -0.41 -0.05 119.26 121.34 1nye h ALA 883 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nye h ALA 883 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nye h ALA 883 CO -0.00 0.09 0.13 1.25 0.00 0.00 0.00 179.25 180.71 1nye h LEU 884 N 0.83 0.68 -0.21 0.00 5.85 -0.44 0.81 115.31 122.83 1nye h LEU 884 Ca 0.45 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1nye h LEU 884 Cb 0.55 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1nye h LEU 884 CO -0.21 0.72 0.12 -1.28 -0.34 0.00 0.00 178.44 177.45 1nye h SER 885 N 0.61 0.19 -0.26 1.25 0.87 -0.84 0.20 113.55 115.57 1nye h SER 885 Ca 0.15 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1nye h SER 885 Cb 0.29 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1nye h SER 885 CO -0.00 0.14 0.09 0.25 -0.53 0.00 0.00 176.83 176.78 1nye h LEU 886 N 0.24 0.11 -0.58 2.23 7.12 -0.84 0.15 115.31 123.74 1nye h LEU 886 Ca 0.08 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.09 1nye h LEU 886 Cb -0.00 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 1nye h LEU 886 CO -0.04 0.10 0.26 0.24 -0.13 0.00 0.00 178.44 178.87 1nye h MET 887 N 0.21 0.84 -0.70 1.25 0.00 -0.47 -2.25 114.93 113.82 1nye h MET 887 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 59.70 59.60 1nye h MET 887 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 31.60 31.50 1nye h MET 887 CO -0.11 0.69 0.14 -0.07 0.00 0.00 0.00 176.91 177.57 1nye h LEU 888 N 0.79 1.08 -0.63 1.22 3.38 -0.35 -2.76 115.31 118.04 1nye h LEU 888 Ca 0.20 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1nye h LEU 888 Cb 0.14 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.53 1nye h LEU 888 CO -0.02 1.05 0.23 1.23 0.09 0.00 0.00 178.44 181.02 1nye h GLY 889 N 1.07 0.89 2.00 0.83 0.00 -0.17 0.17 103.07 107.86 1nye h GLY 889 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1nye h GLY 889 CO 0.01 -0.03 -0.04 0.83 0.00 0.00 0.00 176.54 177.30 1nye h GLU 890 N 0.41 0.00 -0.27 4.80 5.08 -1.12 -1.43 114.58 122.04 1nye h GLU 890 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1nye h GLU 890 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1nye h GLU 890 CO -0.33 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 177.73 1nye n ALA 891 N -2.40 2.48 -2.29 3.43 0.00 -0.08 -4.92 120.51 116.73 1nye n ALA 891 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1nye n ALA 891 Cb 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1nye n ALA 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 892 N 1.25 0.93 3.10 0.00 0.00 -0.54 -5.08 105.19 104.85 1nye n GLY 892 Ca 0.17 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1nye n GLY 892 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 893 N -2.87 0.84 -0.15 1.61 0.08 -0.47 -5.01 117.98 112.01 1nye s PHE 893 Ca 0.00 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.53 1nye s PHE 893 Cb 0.00 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 42.00 1nye s PHE 893 CO 0.00 -0.04 -0.04 0.99 -0.10 0.00 0.00 175.22 176.02 1nye s THR 894 N -1.49 0.97 0.02 0.64 2.01 -1.26 -2.92 115.64 113.61 1nye s THR 894 Ca -0.06 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1nye s THR 894 Cb -0.09 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1nye s THR 894 CO 0.01 0.15 1.19 -2.16 -0.69 0.00 0.00 174.62 173.12 1nye s PRO 895 N 1.70 4.41 0.42 4.92 0.04 -1.26 -4.40 135.00 140.83 1nye s PRO 895 Ca 0.02 1.73 0.23 0.00 0.04 0.00 0.00 61.00 63.01 1nye s PRO 895 Cb -0.15 -3.42 0.56 0.00 0.04 0.00 0.00 34.50 31.53 1nye s PRO 895 CO -0.08 -0.30 1.68 1.79 0.04 0.00 0.00 177.00 180.13 1nye h THR 896 N 4.68 0.29 -1.78 1.26 1.35 -1.80 -3.46 112.91 113.46 1nye h THR 896 Ca -0.39 -1.21 0.02 0.00 -0.55 0.00 0.00 66.41 64.27 1nye h THR 896 Cb 1.20 1.97 -0.24 0.00 -1.73 0.00 0.00 68.15 69.35 1nye h THR 896 CO 0.83 0.15 0.30 -0.55 -0.25 0.00 0.00 175.52 176.00 1nye s SER 897 N -6.17 -0.59 -0.06 5.36 0.15 -1.20 -5.01 113.70 106.17 1nye s SER 897 Ca 0.04 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.80 1nye s SER 897 Cb 0.07 1.15 0.03 0.00 -1.71 0.00 0.00 66.02 65.57 1nye s SER 897 CO 0.66 -0.19 0.04 -0.63 1.20 0.00 0.00 173.24 174.32 1nye s ILE 898 N 0.36 0.08 -0.12 6.45 1.01 -1.26 -1.23 121.20 126.48 1nye s ILE 898 Ca 0.01 0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.91 1nye s ILE 898 Cb -0.05 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1nye s ILE 898 CO -0.04 0.17 -0.08 -1.81 0.00 0.00 0.00 174.94 173.18 1nye s ASP 899 N 2.09 2.31 -0.01 3.58 1.01 -0.33 -5.01 116.67 120.31 1nye s ASP 899 Ca 0.05 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.96 1nye s ASP 899 Cb -0.12 -0.88 0.00 0.00 1.01 0.00 0.00 42.92 42.92 1nye s ASP 899 CO -0.04 -0.12 -0.06 0.28 0.21 0.00 0.00 175.17 175.44 1nye s THR 900 N 1.68 0.49 -0.08 -1.27 -1.32 -1.26 -0.09 115.64 113.78 1nye s THR 900 Ca 0.04 -0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.25 1nye s THR 900 Cb -0.13 -0.43 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1nye s THR 900 CO -0.08 0.15 0.11 -0.89 -2.21 0.00 0.00 174.62 171.70 1nye s THR 901 N 0.06 5.16 -0.17 5.08 2.01 0.18 -4.84 115.64 123.12 1nye s THR 901 Ca -0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1nye s THR 901 Cb -0.05 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1nye s THR 901 CO -0.00 0.54 -0.12 0.00 -0.69 0.00 0.00 174.62 174.35 1nye s ALA 902 N -1.06 1.88 -0.33 7.40 0.00 -1.26 -1.29 121.76 127.10 1nye s ALA 902 Ca 0.17 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 1nye s ALA 902 Cb -0.12 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1nye s ALA 902 CO 0.07 -0.57 0.14 0.34 0.00 0.00 0.00 175.76 175.74 1nye s ASP 903 N 1.47 5.44 -0.22 0.00 3.68 -0.31 -4.82 116.67 121.91 1nye s ASP 903 Ca 0.02 -0.79 -0.13 0.00 2.13 0.00 0.00 52.55 53.78 1nye s ASP 903 Cb -0.14 -1.95 -0.04 0.00 -1.45 0.00 0.00 42.92 39.33 1nye s ASP 903 CO -0.10 -0.26 0.29 -0.69 0.13 0.00 0.00 175.17 174.54 1nye s VAL 904 N 1.54 5.28 -0.28 1.11 1.01 -1.26 -0.72 120.40 127.07 1nye s VAL 904 Ca 0.02 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1nye s VAL 904 Cb -0.18 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1nye s VAL 904 CO 0.05 0.30 0.24 -0.44 0.00 0.00 0.00 175.10 175.24 1nye s SER 905 N 1.04 6.08 -0.31 3.32 0.01 0.17 -5.00 113.70 119.00 1nye s SER 905 Ca 0.14 0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.37 1nye s SER 905 Cb -0.14 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1nye s SER 905 CO 0.06 -0.09 0.11 -0.22 0.41 0.00 0.00 173.24 173.51 1nye s LEU 906 N 1.83 4.07 0.10 2.44 1.98 -1.26 -1.18 118.68 126.66 1nye s LEU 906 Ca 0.09 -0.77 0.07 0.00 -2.89 0.00 0.00 54.13 50.63 1nye s LEU 906 Cb -0.16 -1.92 -0.04 0.00 0.66 0.00 0.00 46.19 44.73 1nye s LEU 906 CO 0.11 -0.23 -0.11 -1.81 -1.89 0.00 0.00 176.35 172.41 1nye s ASP 907 N 1.51 4.34 -0.43 3.68 -0.00 -0.46 -4.90 116.67 120.40 1nye s ASP 907 Ca 0.02 -0.40 -0.27 0.00 -0.00 0.00 0.00 52.55 51.90 1nye s ASP 907 Cb -0.18 -0.81 0.02 0.00 -0.00 0.00 0.00 42.92 41.96 1nye s ASP 907 CO 0.04 0.18 1.03 -1.59 -0.00 0.00 0.00 175.17 174.83 1nye s LYS 908 N -2.15 3.73 -0.09 8.23 0.00 -1.26 0.86 119.74 129.05 1nye s LYS 908 Ca 0.21 0.50 0.00 0.00 0.00 0.00 0.00 55.97 56.68 1nye s LYS 908 Cb -0.11 -3.87 0.02 0.00 0.00 0.00 0.00 37.83 33.87 1nye s LYS 908 CO 0.13 -1.20 -0.08 0.08 0.00 0.00 0.00 175.35 174.28 1nye s VAL 909 N 3.97 0.96 0.00 1.79 1.01 0.29 -4.93 120.40 123.49 1nye s VAL 909 Ca 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1nye s VAL 909 Cb -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1nye s VAL 909 CO 0.26 0.34 0.00 0.47 0.00 0.00 0.00 175.10 176.17 1nye n ASP 910 N 4.60 0.00 -0.20 3.32 10.43 -1.26 -2.12 116.55 131.31 1nye n ASP 910 Ca -0.16 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.27 1nye n ASP 910 Cb 0.50 0.00 0.34 0.00 1.84 0.00 0.00 41.12 43.81 1nye n ASP 910 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nye n ALA 911 N 9.92 2.55 -3.00 2.24 0.00 -1.26 -4.91 120.51 126.05 1nye n ALA 911 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1nye n ALA 911 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1nye n ALA 911 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 912 N 0.83 3.16 3.66 0.00 0.00 -0.90 -5.17 105.19 106.77 1nye n GLY 912 Ca 0.11 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1nye n GLY 912 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 913 N -4.97 3.04 -0.02 1.61 0.08 -1.26 0.10 117.98 116.56 1nye s PHE 913 Ca 0.00 0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.11 1nye s PHE 913 Cb 0.00 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1nye s PHE 913 CO 0.00 0.44 0.03 0.00 -0.10 0.00 0.00 175.22 175.59 1nye s ALA 914 N -1.04 0.11 -0.44 5.36 0.00 0.25 -4.84 121.76 121.16 1nye s ALA 914 Ca 0.18 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 1nye s ALA 914 Cb -0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1nye s ALA 914 CO 0.09 -0.14 1.86 0.42 0.00 0.00 0.00 175.76 177.98 1nye s ILE 915 N 1.18 3.41 -0.64 0.00 1.01 -1.26 -1.36 121.20 123.54 1nye s ILE 915 Ca -0.08 0.36 0.22 0.00 0.00 0.00 0.00 60.65 61.15 1nye s ILE 915 Cb -0.13 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.46 1nye s ILE 915 CO -0.03 -0.57 0.95 0.35 0.00 0.00 0.00 174.94 175.64 1nye n THR 916 N 7.37 0.10 -3.62 2.92 -2.24 -0.32 -4.58 114.28 113.92 1nye n THR 916 Ca 0.23 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1nye n THR 916 Cb 0.49 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 1nye n THR 916 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nye s LYS 917 N -3.18 0.38 -0.13 -0.78 2.20 -1.24 -2.35 119.74 114.64 1nye s LYS 917 Ca 0.04 0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1nye s LYS 917 Cb 0.15 0.18 0.03 0.00 -1.51 0.00 0.00 37.83 36.68 1nye s LYS 917 CO 0.82 -0.08 -0.09 0.42 -0.36 0.00 0.00 175.35 176.07 1nye s ILE 918 N -0.31 1.21 -0.24 5.43 1.01 -0.34 0.42 121.20 128.37 1nye s ILE 918 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 1nye s ILE 918 Cb -0.03 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1nye s ILE 918 CO -0.06 0.36 0.05 0.00 0.00 0.00 0.00 174.94 175.28 1nye s ALA 919 N 1.63 3.11 -0.29 9.38 0.00 0.10 -2.44 121.76 133.26 1nye s ALA 919 Ca 0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1nye s ALA 919 Cb -0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1nye s ALA 919 CO -0.09 -0.44 0.25 -0.51 0.00 0.00 0.00 175.76 174.97 1nye s LEU 920 N 1.52 4.12 -0.18 0.00 1.43 0.61 -1.16 118.68 125.02 1nye s LEU 920 Ca 0.06 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1nye s LEU 920 Cb -0.15 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1nye s LEU 920 CO 0.03 -0.12 -0.08 -0.75 0.23 0.00 0.00 176.35 175.65 1nye s LYS 921 N 1.84 3.39 -0.01 1.70 2.20 -0.41 -0.92 119.74 127.52 1nye s LYS 921 Ca 0.09 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1nye s LYS 921 Cb -0.16 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1nye s LYS 921 CO 0.11 -0.01 -0.04 0.45 -0.36 0.00 0.00 175.35 175.50 1nye s SER 922 N 0.95 0.49 -0.18 1.43 0.15 -0.22 0.49 113.70 116.81 1nye s SER 922 Ca -0.01 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 1nye s SER 922 Cb -0.15 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1nye s SER 922 CO -0.00 0.03 -0.08 -1.61 1.20 0.00 0.00 173.24 172.78 1nye s GLU 923 N 0.06 3.39 0.04 5.44 2.02 0.87 -1.15 118.70 129.37 1nye s GLU 923 Ca -0.00 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.39 1nye s GLU 923 Cb -0.03 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 1nye s GLU 923 CO -0.00 -0.03 -0.14 0.08 0.02 0.00 0.00 175.26 175.19 1nye s VAL 924 N 1.01 1.08 -0.10 2.63 1.01 0.20 -1.18 120.40 125.04 1nye s VAL 924 Ca -0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1nye s VAL 924 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1nye s VAL 924 CO -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 175.10 174.92 1nye s ALA 925 N -0.87 1.67 -0.17 5.51 0.00 -0.37 0.41 121.76 127.94 1nye s ALA 925 Ca 0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1nye s ALA 925 Cb -0.08 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.36 1nye s ALA 925 CO 0.01 0.02 0.29 0.08 0.00 0.00 0.00 175.76 176.17 1nye s VAL 926 N 0.81 -0.46 0.00 0.00 1.01 -1.12 -1.98 120.40 118.67 1nye s VAL 926 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1nye s VAL 926 Cb -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1nye s VAL 926 CO 0.01 0.02 0.33 -2.65 0.00 0.00 0.00 175.10 172.81 1nye n PRO 927 N 5.35 0.00 -3.12 2.72 -0.02 -1.26 -4.02 135.00 134.66 1nye n PRO 927 Ca -0.06 0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 1nye n PRO 927 Cb 0.50 -0.54 -0.04 0.00 -0.02 0.00 0.00 33.50 33.40 1nye n PRO 927 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nye n GLY 928 N -0.87 4.42 3.40 -1.23 0.00 -1.26 -4.93 105.19 104.72 1nye n GLY 928 Ca 0.00 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 1nye n GLY 928 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nye s ILE 929 N -3.08 2.60 0.26 -0.61 1.01 -1.26 -5.11 121.20 115.02 1nye s ILE 929 Ca 0.43 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.91 1nye s ILE 929 Cb 0.28 -1.98 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 1nye s ILE 929 CO -0.10 0.57 0.86 1.51 0.00 0.00 0.00 174.94 177.78 1nye s ASP 930 N -0.72 7.32 0.46 3.58 -4.77 -1.26 -4.92 116.67 116.35 1nye s ASP 930 Ca 0.11 1.71 0.33 0.00 -3.30 0.00 0.00 52.55 51.40 1nye s ASP 930 Cb -0.10 -2.53 1.47 0.00 -1.09 0.00 0.00 42.92 40.67 1nye s ASP 930 CO 0.00 0.04 1.63 0.00 0.70 0.00 0.00 175.17 177.53 1nye h ALA 931 N 3.57 2.92 -0.02 2.11 0.00 -1.97 -2.14 119.26 123.73 1nye h ALA 931 Ca -0.47 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1nye h ALA 931 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1nye h ALA 931 CO 0.66 -1.52 -0.14 1.03 0.00 0.00 0.00 179.25 179.27 1nye h SER 932 N 0.07 0.15 0.49 0.00 0.87 -2.00 -2.38 113.55 110.75 1nye h SER 932 Ca 0.82 -0.70 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1nye h SER 932 Cb 2.73 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 64.63 1nye h SER 932 CO -0.34 0.83 -0.25 0.71 -0.53 0.00 0.00 176.83 177.25 1nye h THR 933 N -0.51 0.87 -0.19 2.23 1.35 -1.81 -2.52 112.91 112.33 1nye h THR 933 Ca -0.01 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 1nye h THR 933 Cb 0.84 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1nye h THR 933 CO 0.03 0.25 0.05 0.15 -0.25 0.00 0.00 175.52 175.75 1nye h PHE 934 N 0.00 0.31 -0.96 4.73 3.04 -1.41 -2.92 116.94 119.72 1nye h PHE 934 Ca -0.00 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.00 1nye h PHE 934 Cb 0.56 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.91 1nye h PHE 934 CO 0.00 0.40 0.61 0.22 -2.02 0.00 0.00 178.31 177.52 1nye h ASP 935 N 0.12 0.93 0.08 0.41 3.58 -0.99 0.66 116.42 121.21 1nye h ASP 935 Ca 0.06 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1nye h ASP 935 Cb 0.25 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1nye h ASP 935 CO -0.00 0.56 -0.05 1.23 -2.88 0.00 0.00 179.24 178.10 1nye h GLY 936 N 1.05 0.00 0.21 -0.78 0.00 -1.33 -2.37 103.07 99.85 1nye h GLY 936 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.67 1nye h GLY 936 CO -0.21 0.00 -0.53 -2.22 0.00 0.00 0.00 176.54 173.58 1nye h ILE 937 N 0.00 1.51 -0.79 2.60 1.08 -0.77 -2.90 117.51 118.25 1nye h ILE 937 Ca -0.00 -2.37 -0.04 0.00 -0.39 0.00 0.00 64.86 62.06 1nye h ILE 937 Cb 0.10 3.09 -0.04 0.00 -3.07 0.00 0.00 36.82 36.91 1nye h ILE 937 CO 0.01 0.60 0.34 0.16 -0.69 0.00 0.00 178.15 178.56 1nye h ILE 938 N -0.79 1.25 -0.68 -0.67 -0.00 -1.31 0.67 117.51 115.98 1nye h ILE 938 Ca -0.12 -0.76 -0.03 0.00 -0.00 0.00 0.00 64.86 63.95 1nye h ILE 938 Cb 1.27 0.28 -0.03 0.00 -0.00 0.00 0.00 36.82 38.34 1nye h ILE 938 CO 0.01 0.32 0.30 1.56 -0.00 0.00 0.00 178.15 180.33 1nye h GLN 939 N 1.13 0.98 -0.03 0.16 1.08 -1.56 1.79 115.11 118.66 1nye h GLN 939 Ca 0.27 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1nye h GLN 939 Cb 0.17 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1nye h GLN 939 CO -0.03 0.77 -0.00 0.87 -0.95 0.00 0.00 178.83 179.49 1nye h LYS 940 N 0.97 0.00 -0.24 1.46 1.79 -1.04 -2.78 116.57 116.72 1nye h LYS 940 Ca 0.23 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1nye h LYS 940 Cb 0.14 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1nye h LYS 940 CO -0.03 0.00 0.06 0.00 -1.08 0.00 0.00 179.45 178.40 1nye h ALA 941 N 1.02 0.32 -0.95 3.86 0.00 0.19 0.11 119.26 123.81 1nye h ALA 941 Ca 0.01 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.05 1nye h ALA 941 Cb 0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.56 1nye h ALA 941 CO -0.02 -0.03 0.38 -0.22 0.00 0.00 0.00 179.25 179.36 1nye h LYS 942 N 0.21 0.20 -0.00 0.00 3.11 0.29 -1.31 116.57 119.08 1nye h LYS 942 Ca 0.08 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1nye h LYS 942 Cb 0.28 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1nye h LYS 942 CO 0.00 0.13 -0.51 0.00 -2.81 0.00 0.00 179.45 176.26 1nye n ALA 943 N -2.54 3.42 0.08 5.00 0.00 -1.07 -4.66 120.51 120.75 1nye n ALA 943 Ca 0.28 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1nye n ALA 943 Cb 0.88 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 1nye n ALA 943 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nye h GLY 944 N 2.60 0.44 -3.21 0.00 0.00 0.32 -3.38 103.07 99.84 1nye h GLY 944 Ca 0.00 -1.13 -0.57 0.00 0.00 0.00 0.00 47.33 45.63 1nye h GLY 944 CO 0.00 0.99 0.26 0.00 0.00 0.00 0.00 176.54 177.79 1nye h PRO 946 N 1.23 0.25 -0.78 0.00 0.11 -1.91 -2.12 132.00 128.77 1nye h PRO 946 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1nye h PRO 946 Cb 1.34 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1nye h PRO 946 CO 0.55 0.16 0.38 0.28 -0.21 0.00 0.00 178.00 179.17 1nye h VAL 947 N 0.25 1.25 -0.84 3.15 2.07 -1.93 -1.79 116.25 118.40 1nye h VAL 947 Ca 0.39 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1nye h VAL 947 Cb 0.65 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1nye h VAL 947 CO -0.50 0.29 0.43 0.28 0.02 0.00 0.00 177.57 178.10 1nye h SER 948 N 1.10 1.07 -0.64 0.57 0.02 -1.72 -2.63 113.55 111.32 1nye h SER 948 Ca 0.27 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1nye h SER 948 Cb 0.11 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1nye h SER 948 CO -0.04 0.88 0.21 1.56 -1.14 0.00 0.00 176.83 178.31 1nye h GLN 949 N 1.18 0.98 0.00 3.45 1.08 -0.86 -3.07 115.11 117.87 1nye h GLN 949 Ca 0.29 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1nye h GLN 949 Cb 0.07 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1nye h GLN 949 CO -0.04 0.86 -0.32 0.28 -0.95 0.00 0.00 178.83 178.65 1nye h VAL 950 N 0.91 0.72 -3.35 -0.54 2.07 -1.18 -3.44 116.25 111.44 1nye h VAL 950 Ca 0.21 -1.44 -0.54 0.00 0.82 0.00 0.00 66.70 65.75 1nye h VAL 950 Cb 0.28 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1nye h VAL 950 CO -0.01 0.31 0.43 -0.76 0.02 0.00 0.00 177.57 177.56 1nye s LEU 951 N -6.83 4.37 0.19 2.57 1.43 -1.01 -4.93 118.68 114.47 1nye s LEU 951 Ca 0.01 1.77 0.23 0.00 -1.03 0.00 0.00 54.13 55.10 1nye s LEU 951 Cb 0.10 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1nye s LEU 951 CO 0.67 -0.32 1.10 0.11 0.23 0.00 0.00 176.35 178.14 1nye h LYS 952 N 6.79 0.00 -7.25 1.70 1.57 -1.87 -3.47 116.57 114.05 1nye h LYS 952 Ca -0.41 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.84 1nye h LYS 952 Cb 1.22 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.70 1nye h LYS 952 CO 0.77 0.00 0.29 0.00 -0.57 0.00 0.00 179.45 179.94 1nye s ALA 953 N -3.33 1.79 0.46 3.86 0.00 -1.26 -4.96 121.76 118.33 1nye s ALA 953 Ca 0.01 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 1nye s ALA 953 Cb 0.10 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1nye s ALA 953 CO 0.78 -2.34 1.18 -2.00 0.00 0.00 0.00 175.76 173.38 1nye s GLU 954 N -4.44 3.74 -0.10 0.00 2.12 -0.99 -4.85 118.70 114.18 1nye s GLU 954 Ca 0.68 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.82 1nye s GLU 954 Cb -0.24 -2.41 0.02 0.00 0.26 0.00 0.00 34.13 31.76 1nye s GLU 954 CO 0.53 -0.58 -0.10 0.42 -0.54 0.00 0.00 175.26 175.00 1nye s ILE 955 N -1.53 1.10 0.28 -3.70 1.01 -1.26 -1.20 121.20 115.90 1nye s ILE 955 Ca 0.64 -0.38 0.11 0.00 0.00 0.00 0.00 60.65 61.02 1nye s ILE 955 Cb -0.29 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1nye s ILE 955 CO 0.35 0.37 -0.12 0.42 0.00 0.00 0.00 174.94 175.96 1nye s THR 956 N 1.33 2.83 -0.07 2.92 -4.23 -1.02 -5.00 115.64 112.40 1nye s THR 956 Ca -0.02 -2.21 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 1nye s THR 956 Cb -0.14 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.23 1nye s THR 956 CO -0.04 -0.38 0.15 -0.22 -0.54 0.00 0.00 174.62 173.58 1nye s LEU 957 N -3.58 0.49 0.08 4.79 0.20 -1.25 -0.28 118.68 119.13 1nye s LEU 957 Ca 0.31 0.30 0.08 0.00 0.69 0.00 0.00 54.13 55.51 1nye s LEU 957 Cb -0.05 0.32 -0.03 0.00 -0.43 0.00 0.00 46.19 46.00 1nye s LEU 957 CO 0.17 -0.18 -0.22 -1.81 -0.29 0.00 0.00 176.35 174.02 1nye s ASP 958 N 1.50 2.67 0.07 3.68 1.11 -0.10 -5.00 116.67 120.60 1nye s ASP 958 Ca -0.06 -0.63 -0.26 0.00 0.18 0.00 0.00 52.55 51.78 1nye s ASP 958 Cb -0.12 -0.18 0.08 0.00 1.07 0.00 0.00 42.92 43.76 1nye s ASP 958 CO -0.06 0.12 0.67 -0.72 1.18 0.00 0.00 175.17 176.36 1nye s TYR 959 N -1.00 -0.55 -0.09 4.23 1.13 -1.26 -1.06 117.35 118.76 1nye s TYR 959 Ca 0.08 0.55 0.04 0.00 -1.41 0.00 0.00 57.07 56.33 1nye s TYR 959 Cb -0.10 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.27 1nye s TYR 959 CO 0.03 -0.73 -0.22 -0.65 -2.51 0.00 0.00 175.55 171.47 1nye s GLN 960 N -2.87 2.90 -0.27 -3.49 -0.21 -0.30 -4.98 119.66 110.44 1nye s GLN 960 Ca -0.02 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1nye s GLN 960 Cb -0.01 -2.31 0.06 0.00 1.00 0.00 0.00 33.01 31.75 1nye s GLN 960 CO -0.06 0.28 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.14 1nye s LEU 961 N 0.11 3.63 -0.15 2.90 1.98 -1.26 -0.63 118.68 125.25 1nye s LEU 961 Ca -0.11 -1.47 -0.26 0.00 -2.89 0.00 0.00 54.13 49.40 1nye s LEU 961 Cb -0.16 -1.57 -0.01 0.00 0.66 0.00 0.00 46.19 45.11 1nye s LEU 961 CO 0.06 -0.22 0.87 -0.54 -1.89 0.00 0.00 176.35 174.64 1nye s LYS 962 N 1.09 4.33 0.00 1.98 1.02 0.16 -4.99 119.74 123.34 1nye s LYS 962 Ca -0.07 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1nye s LYS 962 Cb -0.20 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1nye s LYS 962 CO -0.05 -0.32 0.00 0.43 -0.92 0.00 0.00 175.35 174.49