#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwo h PRO 814 N 0.00 0.80 -0.55 0.11 0.11 -2.05 -0.32 132.00 130.10 2qwo h PRO 814 Ca 0.00 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 2qwo h PRO 814 Cb 0.00 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 2qwo h PRO 814 CO 0.00 0.53 -0.05 0.93 -0.21 0.00 0.00 178.00 179.20 2qwo h GLU 815 N 0.83 0.99 -0.12 1.05 5.08 -2.00 -0.47 114.58 119.93 2qwo h GLU 815 Ca 0.37 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2qwo h GLU 815 Cb 0.34 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2qwo h GLU 815 CO -0.14 1.00 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.62 2qwo h LYS 816 N 0.90 0.24 -0.74 2.33 3.64 -1.77 -2.81 116.57 118.36 2qwo h LYS 816 Ca 0.15 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2qwo h LYS 816 Cb 0.59 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 2qwo h LYS 816 CO 0.04 0.55 0.41 -0.07 -2.27 0.00 0.00 179.45 178.11 2qwo h LEU 817 N -0.09 0.59 -1.00 5.20 4.07 -1.02 -0.62 115.31 122.44 2qwo h LEU 817 Ca 0.03 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.11 2qwo h LEU 817 Cb 0.47 -0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 2qwo h LEU 817 CO 0.01 0.36 0.64 0.50 -1.08 0.00 0.00 178.44 178.87 2qwo h LYS 818 N 0.72 1.08 -0.03 1.13 3.64 -1.03 -1.34 116.57 120.74 2qwo h LYS 818 Ca 0.35 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.42 2qwo h LYS 818 Cb 0.28 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2qwo h LYS 818 CO -0.22 0.71 -0.94 0.82 -2.27 0.00 0.00 179.45 177.56 2qwo h ILE 819 N 1.11 1.29 -0.94 2.00 2.04 -1.10 -2.37 117.51 119.55 2qwo h ILE 819 Ca 0.45 -2.16 0.02 0.00 1.00 0.00 0.00 64.86 64.17 2qwo h ILE 819 Cb 0.27 2.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 2qwo h ILE 819 CO -0.20 0.67 0.62 -0.07 0.00 0.00 0.00 178.15 179.16 2qwo h LEU 820 N 0.37 1.05 -0.47 1.44 3.38 -0.79 -0.19 115.31 120.09 2qwo h LEU 820 Ca -0.11 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 2qwo h LEU 820 Cb 1.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2qwo h LEU 820 CO 0.19 0.74 -0.50 -0.33 0.09 0.00 0.00 178.44 178.62 2qwo h GLU 821 N 1.23 0.70 -0.11 1.13 5.08 -1.27 -1.75 114.58 119.60 2qwo h GLU 821 Ca 0.36 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qwo h GLU 821 Cb -0.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2qwo h GLU 821 CO -0.10 1.03 0.07 2.35 -1.00 0.00 0.00 179.01 181.36 2qwo h TRP 822 N 0.55 0.14 -0.40 4.33 7.01 -1.12 -1.56 115.95 124.90 2qwo h TRP 822 Ca 0.02 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2qwo h TRP 822 Cb 1.06 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 28.06 2qwo h TRP 822 CO 0.05 0.12 0.22 0.82 -2.79 0.00 0.00 178.44 176.86 2qwo h ILE 823 N 0.12 1.15 -0.52 2.65 2.04 -0.95 -2.45 117.51 119.55 2qwo h ILE 823 Ca 0.04 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2qwo h ILE 823 Cb 0.02 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2qwo h ILE 823 CO -0.01 0.15 0.07 -0.08 0.00 0.00 0.00 178.15 178.28 2qwo h GLU 824 N 0.52 0.87 0.00 2.37 4.81 -1.30 -3.25 114.58 118.59 2qwo h GLU 824 Ca 0.14 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 2qwo h GLU 824 Cb 0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2qwo h GLU 824 CO -0.02 0.86 -0.45 0.78 -0.73 0.00 0.00 179.01 179.45 2qwo h GLY 825 N 0.74 0.00 1.29 1.92 0.00 -1.09 -3.17 103.07 102.76 2qwo h GLY 825 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2qwo h GLY 825 CO 0.01 0.00 -0.36 0.28 0.00 0.00 0.00 176.54 176.48 2qwo n LYS 826 N -3.95 0.00 -2.57 4.80 4.76 -0.94 -4.96 118.16 115.32 2qwo n LYS 826 Ca -0.02 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 2qwo n LYS 826 Cb 0.48 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2qwo n LYS 826 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qwo n GLU 827 N -1.51 -2.52 -2.07 1.97 -0.58 -1.20 -1.48 120.64 113.25 2qwo n GLU 827 Ca 0.06 0.96 -0.21 0.00 -0.42 0.00 0.00 57.16 57.55 2qwo n GLU 827 Cb 0.34 -5.68 -0.04 0.00 -0.57 0.00 0.00 31.44 25.49 2qwo n GLU 827 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2qwo n ARG 828 N -3.27 -1.59 -2.68 3.49 0.63 -1.26 -4.95 116.66 107.04 2qwo n ARG 828 Ca -0.21 1.11 -0.43 0.00 -0.92 0.00 0.00 57.85 57.40 2qwo n ARG 828 Cb 0.67 -5.66 -0.03 0.00 0.45 0.00 0.00 32.46 27.89 2qwo n ARG 828 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2qwo s ASN 829 N -2.35 6.57 0.25 6.15 3.04 -0.55 -4.73 114.94 123.32 2qwo s ASN 829 Ca 0.00 0.30 -0.06 0.00 0.04 0.00 0.00 52.86 53.14 2qwo s ASN 829 Cb 0.00 -2.51 0.25 0.00 -1.54 0.00 0.00 41.25 37.45 2qwo s ASN 829 CO 0.00 -1.21 1.91 -0.29 -3.04 0.00 0.00 177.10 174.48 2qwo h ILE 830 N 6.18 1.26 -0.55 -5.21 6.09 -1.88 -0.97 117.51 122.43 2qwo h ILE 830 Ca -0.24 -0.51 -0.04 0.00 -1.37 0.00 0.00 64.86 62.71 2qwo h ILE 830 Cb 1.07 -0.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.16 2qwo h ILE 830 CO 1.10 0.26 0.20 0.03 -3.07 0.00 0.00 178.15 176.67 2qwo h ARG 831 N 1.35 0.84 -0.76 2.19 3.08 -1.94 -0.74 114.38 118.39 2qwo h ARG 831 Ca 0.36 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2qwo h ARG 831 Cb -0.12 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 2qwo h ARG 831 CO -0.07 0.74 0.39 0.00 -1.07 0.00 0.00 179.97 179.96 2qwo h ALA 832 N 1.05 1.26 0.04 0.04 0.00 -1.69 -0.99 119.26 118.98 2qwo h ALA 832 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qwo h ALA 832 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qwo h ALA 832 CO -0.01 0.58 -0.02 -0.07 0.00 0.00 0.00 179.25 179.73 2qwo h LEU 833 N 1.07 -0.05 -0.75 0.00 3.38 -0.95 -3.13 115.31 114.87 2qwo h LEU 833 Ca 0.27 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2qwo h LEU 833 Cb 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2qwo h LEU 833 CO -0.04 0.35 0.36 -0.07 0.09 0.00 0.00 178.44 179.13 2qwo h LEU 834 N -0.45 0.99 -0.82 1.67 3.38 -1.04 -0.88 115.31 118.16 2qwo h LEU 834 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2qwo h LEU 834 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2qwo h LEU 834 CO 0.01 0.85 0.00 -1.54 0.09 0.00 0.00 178.44 177.85 2qwo n SER 835 N -4.38 0.64 0.00 -0.43 3.41 -0.38 -2.96 113.62 109.51 2qwo n SER 835 Ca 0.07 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2qwo n SER 835 Cb 0.14 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2qwo n SER 835 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qwo n THR 836 N -2.23 0.58 0.27 6.66 -2.24 -0.91 -4.56 114.28 111.84 2qwo n THR 836 Ca 0.01 -0.68 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2qwo n THR 836 Cb 0.19 0.77 0.74 0.00 -2.10 0.00 0.00 70.33 69.93 2qwo n THR 836 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2qwo h MET 837 N 0.00 0.00 -0.26 -0.78 -1.53 -1.06 -1.27 114.93 110.03 2qwo h MET 837 Ca 0.00 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.34 2qwo h MET 837 Cb 0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.51 2qwo h MET 837 CO 0.00 0.06 0.20 1.12 0.14 0.00 0.00 176.91 178.43 2qwo h HIS 838 N 0.00 0.00 0.00 1.39 2.07 -1.87 -2.30 115.15 114.44 2qwo h HIS 838 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qwo h HIS 838 Cb 0.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.10 2qwo h HIS 838 CO 0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 2qwo n THR 839 N -4.30 0.63 0.16 6.12 -2.24 -0.48 -3.67 114.28 110.50 2qwo n THR 839 Ca 0.03 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 2qwo n THR 839 Cb 0.36 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 2qwo n THR 839 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2qwo n VAL 840 N -2.06 0.00 -1.67 2.28 0.24 -0.88 -5.03 118.33 111.21 2qwo n VAL 840 Ca 0.04 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.56 2qwo n VAL 840 Cb 0.32 1.02 0.07 0.00 -1.47 0.00 0.00 33.84 33.78 2qwo n VAL 840 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qwo s LEU 841 N -1.80 3.45 0.66 1.34 1.43 -1.11 -4.93 118.68 117.72 2qwo s LEU 841 Ca 0.02 2.35 -0.16 0.00 -1.03 0.00 0.00 54.13 55.31 2qwo s LEU 841 Cb 0.03 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 2qwo s LEU 841 CO 0.12 -1.98 1.16 -1.66 0.23 0.00 0.00 176.35 174.23 2qwo s TRP 842 N -1.85 2.39 0.23 0.29 -2.14 -1.26 -4.98 118.94 111.62 2qwo s TRP 842 Ca 0.75 1.56 -0.30 0.00 2.66 0.00 0.00 56.10 60.77 2qwo s TRP 842 Cb -0.29 -3.35 -0.10 0.00 -3.10 0.00 0.00 33.47 26.63 2qwo s TRP 842 CO 0.41 -2.09 1.47 0.00 -2.66 0.00 0.00 176.95 174.07 2qwo s ALA 843 N -2.00 3.66 0.00 2.67 0.00 -1.26 -2.58 121.76 122.25 2qwo s ALA 843 Ca 0.72 1.34 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2qwo s ALA 843 Cb -0.26 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2qwo s ALA 843 CO 0.39 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2qwo n GLY 844 N 2.50 1.77 3.68 0.00 0.00 -1.26 -5.07 105.19 106.81 2qwo n GLY 844 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2qwo n GLY 844 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qwo s GLU 845 N -0.64 4.30 0.00 1.61 -6.30 -1.06 -4.90 118.70 111.70 2qwo s GLU 845 Ca 0.00 1.72 0.00 0.00 -2.50 0.00 0.00 54.97 54.19 2qwo s GLU 845 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 34.13 30.48 2qwo s GLU 845 CO 0.00 -0.57 0.16 0.25 0.02 0.00 0.00 175.26 175.13 2qwo n THR 846 N 4.91 0.00 0.07 -1.70 -2.24 -1.26 -4.81 114.28 109.26 2qwo n THR 846 Ca 0.12 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 2qwo n THR 846 Cb 0.45 1.11 -0.15 0.00 -2.10 0.00 0.00 70.33 69.65 2qwo n THR 846 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qwo h LYS 847 N 0.00 0.39 -6.41 -0.78 1.57 -2.02 -3.46 116.57 105.86 2qwo h LYS 847 Ca 0.00 -0.66 -0.54 0.00 -1.87 0.00 0.00 60.65 57.57 2qwo h LYS 847 Cb 0.06 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2qwo h LYS 847 CO 0.00 1.32 0.64 -0.46 -0.57 0.00 0.00 179.45 180.37 2qwo s TRP 848 N -2.56 3.29 -0.16 -1.35 -0.11 -1.26 -5.03 118.94 111.75 2qwo s TRP 848 Ca -0.16 1.22 -0.07 0.00 1.22 0.00 0.00 56.10 58.31 2qwo s TRP 848 Cb 0.05 -3.44 -0.04 0.00 -1.50 0.00 0.00 33.47 28.53 2qwo s TRP 848 CO 0.85 -1.41 0.08 0.15 -4.62 0.00 0.00 176.95 172.00 2qwo s LYS 849 N 1.61 3.81 0.09 5.86 1.02 -1.26 -5.05 119.74 125.82 2qwo s LYS 849 Ca 0.58 -0.29 -0.36 0.00 0.02 0.00 0.00 55.97 55.92 2qwo s LYS 849 Cb -0.28 -3.20 -0.16 0.00 -0.52 0.00 0.00 37.83 33.68 2qwo s LYS 849 CO 0.26 0.41 1.45 -2.30 -0.92 0.00 0.00 175.35 174.26 2qwo n PRO 850 N 3.11 1.52 -4.10 -1.68 -0.02 -1.26 -4.95 135.00 127.62 2qwo n PRO 850 Ca -0.17 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 2qwo n PRO 850 Cb 0.53 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 2qwo n PRO 850 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qwo s VAL 851 N 0.87 4.68 0.38 -1.45 0.11 -1.26 -5.11 120.40 118.62 2qwo s VAL 851 Ca 0.83 -0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.78 2qwo s VAL 851 Cb -0.86 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 2qwo s VAL 851 CO 0.45 0.50 0.63 -0.83 -3.33 0.00 0.00 175.10 172.52 2qwo s GLY 852 N 0.03 1.47 0.56 6.54 0.00 -1.26 -4.40 107.32 110.26 2qwo s GLY 852 Ca 0.05 -0.72 0.24 0.00 0.00 0.00 0.00 44.72 44.29 2qwo s GLY 852 CO 0.01 -0.62 2.20 -0.33 0.00 0.00 0.00 173.10 174.36 2qwo h MET 853 N 0.73 0.00 -0.26 2.90 2.86 -1.95 -1.34 114.93 117.88 2qwo h MET 853 Ca -0.49 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.23 2qwo h MET 853 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 2qwo h MET 853 CO 0.62 0.00 0.21 0.00 1.06 0.00 0.00 176.91 178.80 2qwo h ALA 854 N 1.98 2.14 -0.56 6.32 0.00 -2.03 -1.04 119.26 126.07 2qwo h ALA 854 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qwo h ALA 854 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qwo h ALA 854 CO -0.00 -0.34 0.00 -0.25 0.00 0.00 0.00 179.25 178.66 2qwo n ASP 855 N -4.27 4.69 -0.30 0.00 8.00 -0.50 -4.25 116.55 119.92 2qwo n ASP 855 Ca 0.03 -2.56 0.04 0.00 0.71 0.00 0.00 54.79 53.01 2qwo n ASP 855 Cb 0.36 -0.60 0.06 0.00 -0.02 0.00 0.00 41.12 40.92 2qwo n ASP 855 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qwo n LEU 856 N 0.84 1.02 0.18 0.64 4.77 -0.39 -4.58 117.00 119.47 2qwo n LEU 856 Ca 0.24 -1.86 -0.10 0.00 -0.03 0.00 0.00 56.01 54.26 2qwo n LEU 856 Cb 0.92 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2qwo n LEU 856 CO 0.25 0.44 0.32 0.58 -1.33 0.00 0.00 177.39 177.64 2qwo h VAL 857 N 3.82 0.26 -3.55 4.08 2.07 -1.73 -3.42 116.25 117.78 2qwo h VAL 857 Ca 0.00 -0.67 -0.50 0.00 0.82 0.00 0.00 66.70 66.34 2qwo h VAL 857 Cb 1.20 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2qwo h VAL 857 CO 0.00 0.06 0.04 0.42 0.02 0.00 0.00 177.57 178.11 2qwo s THR 858 N -3.68 4.85 0.42 2.57 -4.23 -1.26 -4.91 115.64 109.40 2qwo s THR 858 Ca -0.11 0.48 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2qwo s THR 858 Cb 0.01 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 70.49 2qwo s THR 858 CO 0.35 -0.43 1.89 -0.65 -0.54 0.00 0.00 174.62 175.24 2qwo h PRO 859 N 1.47 0.42 -0.61 3.99 0.11 -2.00 -1.11 132.00 134.27 2qwo h PRO 859 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2qwo h PRO 859 Cb 1.19 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2qwo h PRO 859 CO 0.65 0.28 0.31 0.93 -0.21 0.00 0.00 178.00 179.95 2qwo h GLU 860 N 0.43 0.86 -0.07 1.05 3.07 -1.98 -1.25 114.58 116.69 2qwo h GLU 860 Ca 0.41 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2qwo h GLU 860 Cb 0.97 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 2qwo h GLU 860 CO -0.15 0.68 0.03 1.96 -1.40 0.00 0.00 179.01 180.13 2qwo h GLN 861 N 0.83 0.11 -0.64 2.33 4.20 -1.56 -1.98 115.11 118.40 2qwo h GLN 861 Ca 0.21 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.99 2qwo h GLN 861 Cb 0.09 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 2qwo h GLN 861 CO -0.03 0.23 0.28 0.28 -0.67 0.00 0.00 178.83 178.92 2qwo h VAL 862 N -0.03 0.83 -0.29 -0.54 2.07 -1.15 -1.66 116.25 115.47 2qwo h VAL 862 Ca 0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2qwo h VAL 862 Cb 0.16 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2qwo h VAL 862 CO -0.00 0.09 0.10 0.50 0.02 0.00 0.00 177.57 178.28 2qwo h LYS 863 N 0.50 0.44 -0.58 1.57 3.64 -1.10 -0.06 116.57 121.00 2qwo h LYS 863 Ca 0.31 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 2qwo h LYS 863 Cb 0.34 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2qwo h LYS 863 CO -0.27 0.48 0.30 -0.22 -2.27 0.00 0.00 179.45 177.48 2qwo h LYS 864 N 0.31 0.56 -0.21 1.90 3.64 -1.16 -1.15 116.57 120.46 2qwo h LYS 864 Ca 0.10 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 2qwo h LYS 864 Cb 0.21 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2qwo h LYS 864 CO -0.01 0.37 -0.67 0.28 -2.27 0.00 0.00 179.45 177.15 2qwo h VAL 865 N 0.57 1.28 -0.45 2.00 2.07 -1.17 -2.60 116.25 117.95 2qwo h VAL 865 Ca 0.26 -1.87 0.05 0.00 0.82 0.00 0.00 66.70 65.97 2qwo h VAL 865 Cb 0.16 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2qwo h VAL 865 CO -0.17 0.60 0.17 0.22 0.02 0.00 0.00 177.57 178.41 2qwo h TYR 866 N 0.60 0.31 -0.84 1.57 3.20 -0.84 -1.02 116.97 119.95 2qwo h TYR 866 Ca -0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2qwo h TYR 866 Cb 1.29 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 2qwo h TYR 866 CO 0.08 0.12 0.50 0.00 -1.64 0.00 0.00 178.16 177.22 2qwo h ARG 867 N 0.35 1.15 -0.39 1.82 3.08 -1.14 -1.38 114.38 117.87 2qwo h ARG 867 Ca 0.21 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qwo h ARG 867 Cb 0.19 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2qwo h ARG 867 CO -0.20 0.82 0.24 0.87 -1.07 0.00 0.00 179.97 180.63 2qwo h LYS 868 N 1.16 0.53 -0.16 0.04 1.57 -1.10 -2.89 116.57 115.72 2qwo h LYS 868 Ca 0.30 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2qwo h LYS 868 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2qwo h LYS 868 CO -0.05 0.39 0.10 0.00 -0.57 0.00 0.00 179.45 179.32 2qwo h ALA 869 N 1.11 0.20 -0.18 3.86 0.00 -0.70 -2.68 119.26 120.87 2qwo h ALA 869 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qwo h ALA 869 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qwo h ALA 869 CO -0.03 -0.32 -0.02 -0.39 0.00 0.00 0.00 179.25 178.49 2qwo h VAL 870 N 0.21 1.13 -0.84 0.00 -1.51 -1.25 -1.33 116.25 112.67 2qwo h VAL 870 Ca 0.06 -0.53 -0.03 0.00 -1.23 0.00 0.00 66.70 64.97 2qwo h VAL 870 Cb -0.02 1.03 -0.04 0.00 -2.13 0.00 0.00 31.29 30.13 2qwo h VAL 870 CO -0.02 0.18 0.42 -0.07 -1.23 0.00 0.00 177.57 176.84 2qwo h LEU 871 N 0.26 1.08 -0.25 4.19 -0.00 -1.27 0.34 115.31 119.66 2qwo h LEU 871 Ca 0.06 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 2qwo h LEU 871 Cb 0.22 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2qwo h LEU 871 CO 0.01 0.90 0.03 0.58 -0.00 0.00 0.00 178.44 179.96 2qwo h VAL 872 N 1.18 1.24 -0.55 1.22 2.07 -0.96 -3.19 116.25 117.26 2qwo h VAL 872 Ca 0.29 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2qwo h VAL 872 Cb 0.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2qwo h VAL 872 CO -0.04 0.26 0.00 1.33 0.02 0.00 0.00 177.57 179.14 2qwo n VAL 873 N -4.67 1.84 -1.71 2.57 0.24 -0.85 -4.93 118.33 110.81 2qwo n VAL 873 Ca -0.03 -1.09 -0.42 0.00 -2.04 0.00 0.00 64.34 60.76 2qwo n VAL 873 Cb 0.21 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.51 2qwo n VAL 873 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2qwo n HIS 874 N 0.85 2.73 0.22 6.34 -0.00 0.10 -4.44 115.22 121.03 2qwo n HIS 874 Ca 0.23 -0.02 0.09 0.00 -0.00 0.00 0.00 57.72 58.02 2qwo n HIS 874 Cb 0.88 -2.70 0.63 0.00 -0.00 0.00 0.00 29.99 28.81 2qwo n HIS 874 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2qwo h PRO 875 N 7.30 0.03 0.44 1.57 0.11 -1.88 -2.17 132.00 137.41 2qwo h PRO 875 Ca -0.44 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2qwo h PRO 875 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qwo h PRO 875 CO 0.96 0.02 -0.21 0.00 -0.21 0.00 0.00 178.00 178.56 2qwo h LYS 877 N -0.64 0.95 0.00 0.00 6.56 -1.91 -2.63 116.57 118.90 2qwo h LYS 877 Ca -0.06 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2qwo h LYS 877 Cb 0.48 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2qwo h LYS 877 CO 0.10 0.63 0.00 0.00 -2.06 0.00 0.00 179.45 178.12 2qwo n ALA 878 N -2.41 1.92 -1.68 3.86 0.00 -0.83 -4.85 120.51 116.52 2qwo n ALA 878 Ca 0.11 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 2qwo n ALA 878 Cb 0.15 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 2qwo n ALA 878 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qwo n THR 879 N -1.88 0.49 -0.27 0.00 -1.04 -0.78 -1.55 114.28 109.25 2qwo n THR 879 Ca 0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2qwo n THR 879 Cb 0.27 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 2qwo n THR 879 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qwo n GLY 880 N 4.29 1.51 3.86 3.41 0.00 -1.26 -5.05 105.19 111.94 2qwo n GLY 880 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2qwo n GLY 880 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qwo s GLN 881 N -0.34 3.90 0.54 1.61 -1.52 -0.60 -4.97 119.66 118.27 2qwo s GLN 881 Ca 0.00 0.62 0.25 0.00 -1.95 0.00 0.00 55.36 54.28 2qwo s GLN 881 Cb 0.00 -2.37 1.41 0.00 -0.22 0.00 0.00 33.01 31.84 2qwo s GLN 881 CO 0.00 0.01 2.02 -1.35 -0.25 0.00 0.00 175.29 175.72 2qwo h PRO 882 N 1.62 0.00 -0.45 2.91 0.11 -1.97 -1.95 132.00 132.27 2qwo h PRO 882 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qwo h PRO 882 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qwo h PRO 882 CO 0.64 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.91 2qwo n TYR 883 N -4.30 0.60 -0.17 0.65 0.18 -1.26 -4.62 117.16 108.24 2qwo n TYR 883 Ca 0.07 -0.30 -0.02 0.00 1.88 0.00 0.00 57.90 59.54 2qwo n TYR 883 Cb 0.52 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.54 2qwo n TYR 883 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2qwo h GLU 884 N 2.87 0.06 -0.80 -3.48 4.81 -1.53 -0.95 114.58 115.55 2qwo h GLU 884 Ca 0.00 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2qwo h GLU 884 Cb 0.65 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2qwo h GLU 884 CO 0.00 0.04 0.48 0.37 -0.73 0.00 0.00 179.01 179.17 2qwo h GLN 885 N 0.06 0.83 -0.23 1.92 4.15 -1.85 -1.83 115.11 118.16 2qwo h GLN 885 Ca 0.26 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.47 2qwo h GLN 885 Cb 0.41 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2qwo h GLN 885 CO -0.49 0.55 -0.50 1.88 -1.93 0.00 0.00 178.83 178.34 2qwo h TYR 886 N 0.85 0.96 -0.58 3.99 0.99 -1.57 -1.78 116.97 119.83 2qwo h TYR 886 Ca 0.36 -0.35 0.06 0.00 2.00 0.00 0.00 58.73 60.80 2qwo h TYR 886 Cb 0.22 -0.18 -0.05 0.00 1.00 0.00 0.00 36.73 37.73 2qwo h TYR 886 CO -0.05 1.15 0.28 0.00 -0.00 0.00 0.00 178.16 179.55 2qwo h ALA 887 N 0.63 0.75 -0.54 3.88 0.00 -1.04 -1.83 119.26 121.10 2qwo h ALA 887 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qwo h ALA 887 Cb 1.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2qwo h ALA 887 CO 0.11 -0.08 0.34 0.87 0.00 0.00 0.00 179.25 180.50 2qwo h LYS 888 N 0.53 0.72 -0.78 0.00 1.57 -1.08 0.38 116.57 117.91 2qwo h LYS 888 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2qwo h LYS 888 Cb 0.21 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2qwo h LYS 888 CO -0.20 0.50 0.50 0.52 -0.57 0.00 0.00 179.45 180.20 2qwo h MET 889 N 0.73 1.04 -0.10 3.15 2.86 -1.07 -1.85 114.93 119.69 2qwo h MET 889 Ca 0.20 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2qwo h MET 889 Cb -0.05 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 2qwo h MET 889 CO -0.04 0.71 -0.07 0.82 1.06 0.00 0.00 176.91 179.39 2qwo h ILE 890 N 1.06 1.34 -0.56 -1.22 2.04 -0.96 -2.44 117.51 116.77 2qwo h ILE 890 Ca 0.28 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 65.09 2qwo h ILE 890 Cb -0.09 1.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 2qwo h ILE 890 CO -0.06 0.33 0.05 0.15 0.00 0.00 0.00 178.15 178.62 2qwo h PHE 891 N -0.15 0.05 -0.17 1.37 3.57 -0.84 0.04 116.94 120.82 2qwo h PHE 891 Ca 0.02 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 2qwo h PHE 891 Cb 0.56 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2qwo h PHE 891 CO 0.08 -0.09 -0.59 0.52 -2.23 0.00 0.00 178.31 176.00 2qwo h MET 892 N 0.17 0.54 -0.48 1.11 2.86 -1.30 -1.59 114.93 116.24 2qwo h MET 892 Ca 0.29 -0.36 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 2qwo h MET 892 Cb 0.44 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2qwo h MET 892 CO -0.43 0.97 -0.20 1.49 1.06 0.00 0.00 176.91 179.80 2qwo h GLU 893 N 0.41 0.97 -0.46 1.72 4.57 -1.00 -2.39 114.58 118.40 2qwo h GLU 893 Ca -0.00 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.77 2qwo h GLU 893 Cb 1.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2qwo h GLU 893 CO 0.11 1.07 0.24 -0.07 -1.18 0.00 0.00 179.01 179.18 2qwo h LEU 894 N 0.84 0.58 -0.66 1.64 3.38 -0.76 -0.78 115.31 119.54 2qwo h LEU 894 Ca 0.11 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2qwo h LEU 894 Cb 0.77 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2qwo h LEU 894 CO 0.06 0.52 0.39 0.78 0.09 0.00 0.00 178.44 180.28 2qwo h ASN 895 N 0.60 0.60 -0.50 -0.43 -0.26 -1.26 0.18 115.58 114.50 2qwo h ASN 895 Ca 0.16 0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.84 2qwo h ASN 895 Cb 0.07 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 2qwo h ASN 895 CO -0.02 0.40 0.04 0.44 -1.06 0.00 0.00 177.43 177.23 2qwo h ASP 896 N 0.73 0.87 -0.24 5.81 3.45 -1.15 -1.02 116.42 124.87 2qwo h ASP 896 Ca 0.28 -0.21 -0.14 0.00 0.43 0.00 0.00 57.03 57.40 2qwo h ASP 896 Cb 0.11 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 2qwo h ASP 896 CO -0.15 0.91 -0.35 0.00 -1.57 0.00 0.00 179.24 178.08 2qwo h ALA 897 N 1.19 0.75 -0.42 3.45 0.00 -0.56 -1.99 119.26 121.68 2qwo h ALA 897 Ca 0.17 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2qwo h ALA 897 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2qwo h ALA 897 CO 0.02 0.66 -0.01 2.35 0.00 0.00 0.00 179.25 182.26 2qwo h TRP 898 N 0.64 0.83 -0.59 0.00 2.91 -0.42 -0.83 115.95 118.49 2qwo h TRP 898 Ca 0.06 -0.15 -0.08 0.00 1.13 0.00 0.00 58.89 59.86 2qwo h TRP 898 Cb 0.89 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 2qwo h TRP 898 CO 0.05 0.83 0.06 0.66 -1.03 0.00 0.00 178.44 179.00 2qwo h SER 899 N 0.59 0.93 -0.29 2.65 4.64 -1.09 0.01 113.55 120.99 2qwo h SER 899 Ca 0.12 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2qwo h SER 899 Cb 0.51 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2qwo h SER 899 CO 0.02 0.96 0.13 -0.08 -0.87 0.00 0.00 176.83 176.99 2qwo h GLU 900 N 0.91 0.43 -0.51 4.77 4.81 -1.28 -2.09 114.58 121.62 2qwo h GLU 900 Ca 0.18 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 2qwo h GLU 900 Cb 0.45 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 2qwo h GLU 900 CO 0.02 0.43 0.20 0.35 -0.73 0.00 0.00 179.01 179.27 2qwo h PHE 901 N 0.33 0.35 -0.26 0.92 3.57 -0.70 -2.04 116.94 119.11 2qwo h PHE 901 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2qwo h PHE 901 Cb 0.15 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2qwo h PHE 901 CO -0.01 0.12 0.09 0.93 -2.23 0.00 0.00 178.31 177.21 2qwo h GLU 902 N 0.38 0.37 -0.09 1.11 5.08 -0.84 -2.86 114.58 117.72 2qwo h GLU 902 Ca 0.25 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2qwo h GLU 902 Cb 0.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2qwo h GLU 902 CO -0.24 0.32 -0.25 -0.91 -1.00 0.00 0.00 179.01 176.93 2qwo h ASN 903 N 0.37 0.16 0.00 1.42 2.35 -0.66 -3.51 115.58 115.70 2qwo h ASN 903 Ca 0.09 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2qwo h ASN 903 Cb 0.10 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2qwo h ASN 903 CO -0.01 0.42 0.00 0.00 -1.65 0.00 0.00 177.43 176.19