#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1m n ILE 827 N 0.00 0.01 -4.76 0.52 -5.35 -1.26 -3.52 119.36 105.00 3d1m n ILE 827 Ca 0.00 -0.50 -0.33 0.00 -0.27 0.00 0.00 62.75 61.65 3d1m n ILE 827 Cb 0.00 1.19 -0.15 0.00 -1.74 0.00 0.00 39.64 38.93 3d1m n ILE 827 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3d1m s THR 828 N -0.76 2.77 0.55 7.28 2.01 -1.26 -4.71 115.64 121.52 3d1m s THR 828 Ca 0.11 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 3d1m s THR 828 Cb 0.08 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.46 3d1m s THR 828 CO 0.11 0.53 0.80 -0.83 -0.69 0.00 0.00 174.62 174.54 3d1m s GLY 829 N 0.51 1.71 0.94 4.40 0.00 -1.26 -4.82 107.32 108.79 3d1m s GLY 829 Ca -0.10 -1.11 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 3d1m s GLY 829 CO 0.04 -0.84 1.11 -4.14 0.00 0.00 0.00 173.10 169.27 3d1m s PRO 830 N -4.81 0.93 -0.09 2.90 0.02 -1.26 -4.95 135.00 127.74 3d1m s PRO 830 Ca 0.55 0.49 0.04 0.00 0.02 0.00 0.00 61.00 62.09 3d1m s PRO 830 Cb -0.10 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3d1m s PRO 830 CO 0.40 -2.38 -0.20 -1.58 -0.33 0.00 0.00 177.00 172.91 3d1m s HIS 831 N -3.09 2.18 -0.36 6.54 2.46 -0.38 -4.27 115.29 118.37 3d1m s HIS 831 Ca 0.64 -0.86 -0.28 0.00 0.47 0.00 0.00 55.06 55.03 3d1m s HIS 831 Cb -0.17 -1.49 0.02 0.00 -0.13 0.00 0.00 32.58 30.81 3d1m s HIS 831 CO 0.56 -0.36 1.04 0.42 -2.47 0.00 0.00 174.74 173.93 3d1m s ILE 832 N 0.42 4.48 0.05 0.89 1.01 -1.26 -0.65 121.20 126.14 3d1m s ILE 832 Ca -0.17 1.51 -0.17 0.00 0.00 0.00 0.00 60.65 61.83 3d1m s ILE 832 Cb -0.17 -4.42 -0.19 0.00 0.01 0.00 0.00 42.46 37.69 3d1m s ILE 832 CO 0.07 -0.58 1.22 0.00 0.00 0.00 0.00 174.94 175.65 3d1m h ALA 833 N 8.37 0.19 -2.38 9.38 0.00 -1.00 -3.48 119.26 130.33 3d1m h ALA 833 Ca -0.22 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 3d1m h ALA 833 Cb 1.07 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 3d1m h ALA 833 CO 1.03 0.46 0.29 1.52 0.00 0.00 0.00 179.25 182.55 3d1m s TYR 834 N -3.58 -0.53 -0.03 0.00 1.13 -1.11 -5.02 117.35 108.21 3d1m s TYR 834 Ca -0.12 0.62 0.03 0.00 -1.41 0.00 0.00 57.07 56.19 3d1m s TYR 834 Cb 0.06 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 3d1m s TYR 834 CO 0.85 -0.66 -0.11 0.95 -2.51 0.00 0.00 175.55 174.07 3d1m s THR 835 N -2.48 0.92 -0.08 -3.49 -4.23 -1.26 -1.93 115.64 103.08 3d1m s THR 835 Ca -0.03 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 3d1m s THR 835 Cb -0.01 -0.81 0.04 0.00 1.34 0.00 0.00 72.50 73.06 3d1m s THR 835 CO -0.03 0.28 0.18 -0.70 -0.54 0.00 0.00 174.62 173.81 3d1m s GLU 836 N 0.20 0.14 0.25 3.99 2.12 -0.29 -4.99 118.70 120.12 3d1m s GLU 836 Ca -0.04 0.40 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 3d1m s GLU 836 Cb -0.10 -0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.06 3d1m s GLU 836 CO 0.01 -0.15 1.47 0.00 -0.54 0.00 0.00 175.26 176.05 3d1m s ALA 837 N 1.08 3.65 -0.25 6.30 0.00 -1.26 -0.66 121.76 130.62 3d1m s ALA 837 Ca -0.08 1.36 0.16 0.00 0.00 0.00 0.00 51.96 53.40 3d1m s ALA 837 Cb -0.10 -3.57 -0.22 0.00 0.00 0.00 0.00 23.12 19.23 3d1m s ALA 837 CO -0.06 -0.78 0.44 1.33 0.00 0.00 0.00 175.76 176.69 3d1m n VAL 838 N 2.43 0.00 -3.36 0.00 0.24 -0.11 -4.88 118.33 112.66 3d1m n VAL 838 Ca 0.07 -0.29 -0.03 0.00 -2.04 0.00 0.00 64.34 62.06 3d1m n VAL 838 Cb 0.40 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 3d1m n VAL 838 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3d1m n SER 839 N -1.82 -0.56 0.00 -1.34 3.41 -1.15 -4.97 113.62 107.18 3d1m n SER 839 Ca -0.01 -1.47 0.08 0.00 -0.26 0.00 0.00 58.87 57.21 3d1m n SER 839 Cb 0.35 0.96 0.36 0.00 -0.26 0.00 0.00 64.21 65.62 3d1m n SER 839 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d1m n ASP 840 N -1.38 0.00 0.00 4.04 5.75 -1.26 -1.54 116.55 122.15 3d1m n ASP 840 Ca -0.02 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 3d1m n ASP 840 Cb 0.16 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 3d1m n ASP 840 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3d1m n THR 841 N -1.41 0.17 -3.87 2.12 -2.24 -1.26 -2.27 114.28 105.53 3d1m n THR 841 Ca 0.05 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 3d1m n THR 841 Cb 0.16 1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 69.50 3d1m n THR 841 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3d1m s GLN 842 N -0.17 0.03 -0.06 -0.78 -0.21 -1.24 -1.36 119.66 115.86 3d1m s GLN 842 Ca 0.00 -0.01 0.02 0.00 0.02 0.00 0.00 55.36 55.39 3d1m s GLN 842 Cb 0.00 0.01 0.01 0.00 1.00 0.00 0.00 33.01 34.04 3d1m s GLN 842 CO 0.00 -0.00 -0.12 0.42 -2.12 0.00 0.00 175.29 173.47 3d1m s ILE 843 N -0.06 1.10 0.02 1.08 1.01 -0.46 -0.93 121.20 122.96 3d1m s ILE 843 Ca -0.01 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 3d1m s ILE 843 Cb -0.01 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 3d1m s ILE 843 CO -0.00 0.35 0.60 -0.32 0.00 0.00 0.00 174.94 175.56 3d1m s MET 844 N 0.68 4.30 0.04 2.79 -2.45 0.16 -0.63 119.30 124.19 3d1m s MET 844 Ca -0.14 0.75 0.04 0.00 -1.25 0.00 0.00 55.69 55.08 3d1m s MET 844 Cb -0.16 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.58 3d1m s MET 844 CO 0.04 0.43 -0.11 -0.48 1.05 0.00 0.00 175.02 175.95 3d1m s LEU 845 N -0.42 2.21 -0.03 4.11 2.34 -0.04 -1.13 118.68 125.71 3d1m s LEU 845 Ca 0.31 -0.48 0.02 0.00 0.06 0.00 0.00 54.13 54.04 3d1m s LEU 845 Cb -0.19 -0.39 0.00 0.00 -0.56 0.00 0.00 46.19 45.06 3d1m s LEU 845 CO 0.18 -0.07 -0.09 -0.75 -1.06 0.00 0.00 176.35 174.56 3d1m s LYS 846 N -1.31 1.02 0.31 1.48 2.36 -0.81 -1.14 119.74 121.64 3d1m s LYS 846 Ca -0.03 -0.31 0.03 0.00 -2.55 0.00 0.00 55.97 53.11 3d1m s LYS 846 Cb -0.08 -0.94 -0.06 0.00 -1.05 0.00 0.00 37.83 35.69 3d1m s LYS 846 CO 0.01 0.10 0.07 1.67 1.55 0.00 0.00 175.35 178.75 3d1m s TRP 847 N 0.26 1.87 0.07 4.03 -2.14 -0.42 -0.32 118.94 122.29 3d1m s TRP 847 Ca -0.04 -1.02 0.09 0.00 2.66 0.00 0.00 56.10 57.79 3d1m s TRP 847 Cb -0.09 -1.20 -0.03 0.00 -3.10 0.00 0.00 33.47 29.05 3d1m s TRP 847 CO 0.01 -0.08 -0.23 0.95 -2.66 0.00 0.00 176.95 174.94 3d1m s THR 848 N -3.39 2.44 -0.16 0.66 -4.23 0.18 -4.78 115.64 106.36 3d1m s THR 848 Ca 0.36 -1.44 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 3d1m s THR 848 Cb 0.08 -2.03 0.06 0.00 1.34 0.00 0.00 72.50 71.96 3d1m s THR 848 CO 0.15 0.26 0.36 -0.47 -0.54 0.00 0.00 174.62 174.38 3d1m s TYR 849 N -0.94 -0.56 -0.35 3.99 5.04 -1.26 -1.25 117.35 122.01 3d1m s TYR 849 Ca 0.14 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 55.88 3d1m s TYR 849 Cb -0.10 0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.44 3d1m s TYR 849 CO 0.05 -0.34 0.15 0.42 -1.34 0.00 0.00 175.55 174.48 3d1m s ILE 850 N 1.64 4.09 0.29 3.14 -1.09 -1.26 -5.00 121.20 123.01 3d1m s ILE 850 Ca -0.07 -1.04 0.04 0.00 -2.23 0.00 0.00 60.65 57.34 3d1m s ILE 850 Cb -0.10 -3.31 0.28 0.00 -1.58 0.00 0.00 42.46 37.76 3d1m s ILE 850 CO -0.12 -0.21 1.76 -0.65 -1.23 0.00 0.00 174.94 174.49 3d1m h PRO 851 N 8.30 0.64 0.00 2.79 0.11 -1.99 -1.30 132.00 140.56 3d1m h PRO 851 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3d1m h PRO 851 Cb 1.09 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3d1m h PRO 851 CO 0.63 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 3d1m h SER 852 N 0.66 0.00 0.73 -2.05 4.64 -1.94 -1.10 113.55 114.49 3d1m h SER 852 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3d1m h SER 852 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3d1m h SER 852 CO -0.40 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.33 3d1m h SER 853 N 0.00 0.00 -0.60 4.97 4.64 -1.66 -2.59 113.55 118.31 3d1m h SER 853 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3d1m h SER 853 Cb 0.14 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.88 3d1m h SER 853 CO 0.00 0.00 -0.79 0.59 -0.87 0.00 0.00 176.83 175.76 3d1m n ASN 854 N -2.64 4.15 -1.85 4.97 3.02 -0.80 -4.59 115.26 117.51 3d1m n ASN 854 Ca 0.01 -3.66 -0.19 0.00 -0.03 0.00 0.00 54.58 50.72 3d1m n ASN 854 Cb 0.23 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 3d1m n ASN 854 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d1m n ASN 855 N -0.76 -5.06 -1.53 6.41 5.03 -0.98 -1.02 115.26 117.36 3d1m n ASN 855 Ca 0.37 0.31 -0.15 0.00 0.87 0.00 0.00 54.58 55.98 3d1m n ASN 855 Cb 0.92 -4.41 -0.03 0.00 -1.02 0.00 0.00 39.78 35.24 3d1m n ASN 855 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3d1m n ASN 856 N -1.41 -4.64 -4.74 6.41 3.02 -0.48 -4.94 115.26 108.48 3d1m n ASN 856 Ca -0.20 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 3d1m n ASN 856 Cb 0.63 -3.68 -0.01 0.00 -0.61 0.00 0.00 39.78 36.11 3d1m n ASN 856 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3d1m n THR 857 N -3.54 1.36 -1.82 3.41 5.66 -0.19 -4.88 114.28 114.28 3d1m n THR 857 Ca -0.17 -0.34 -0.42 0.00 -3.05 0.00 0.00 64.05 60.07 3d1m n THR 857 Cb 0.59 -1.84 -0.03 0.00 -1.55 0.00 0.00 70.33 67.50 3d1m n THR 857 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3d1m s PRO 858 N -1.03 4.16 -0.13 1.09 0.04 -1.26 -4.97 135.00 132.90 3d1m s PRO 858 Ca 0.61 2.50 -0.03 0.00 0.04 0.00 0.00 61.00 64.12 3d1m s PRO 858 Cb -0.52 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 3d1m s PRO 858 CO 0.54 -0.66 -0.03 0.96 0.04 0.00 0.00 177.00 177.85 3d1m s ILE 859 N 0.87 4.00 0.02 0.56 -4.36 -1.26 -4.71 121.20 116.32 3d1m s ILE 859 Ca 0.70 -0.34 0.10 0.00 -0.26 0.00 0.00 60.65 60.86 3d1m s ILE 859 Cb -0.47 -2.72 -0.21 0.00 1.25 0.00 0.00 42.46 40.30 3d1m s ILE 859 CO 0.35 0.53 0.94 1.56 0.24 0.00 0.00 174.94 178.56 3d1m h GLN 860 N 6.15 0.00 0.00 0.37 4.20 -1.41 -3.42 115.11 121.00 3d1m h GLN 860 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3d1m h GLN 860 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3d1m h GLN 860 CO 0.60 0.69 0.00 0.41 -0.67 0.00 0.00 178.83 179.86 3d1m n GLY 861 N 1.46 -0.81 3.27 3.46 0.00 -1.17 -2.61 105.19 108.80 3d1m n GLY 861 Ca -0.09 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 3d1m n GLY 861 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d1m s PHE 862 N -3.00 1.80 -0.16 1.61 0.40 -0.19 -1.00 117.98 117.44 3d1m s PHE 862 Ca 0.00 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 3d1m s PHE 862 Cb 0.00 -1.02 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 3d1m s PHE 862 CO 0.00 0.17 -0.04 0.71 0.70 0.00 0.00 175.22 176.76 3d1m s TYR 863 N -1.04 3.02 -0.19 0.36 4.12 0.17 -0.89 117.35 122.91 3d1m s TYR 863 Ca 0.07 -0.34 -0.03 0.00 0.02 0.00 0.00 57.07 56.79 3d1m s TYR 863 Cb -0.10 -1.97 -0.01 0.00 -1.52 0.00 0.00 41.96 38.36 3d1m s TYR 863 CO 0.03 -0.07 -0.07 0.42 0.02 0.00 0.00 175.55 175.88 3d1m s ILE 864 N 0.46 3.25 -0.08 2.71 -1.09 0.15 -1.19 121.20 125.41 3d1m s ILE 864 Ca -0.03 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 3d1m s ILE 864 Cb -0.14 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 3d1m s ILE 864 CO 0.03 0.46 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.81 3d1m s TYR 865 N 1.09 2.91 -0.11 3.97 2.02 0.15 -0.68 117.35 126.69 3d1m s TYR 865 Ca 0.01 -0.07 -0.09 0.00 -0.37 0.00 0.00 57.07 56.55 3d1m s TYR 865 Cb -0.15 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3d1m s TYR 865 CO -0.01 0.25 0.30 1.52 -1.57 0.00 0.00 175.55 176.03 3d1m s TYR 866 N -0.63 -0.35 -0.03 2.71 -0.85 -0.71 -1.56 117.35 115.94 3d1m s TYR 866 Ca 0.09 0.83 -0.13 0.00 -0.52 0.00 0.00 57.07 57.34 3d1m s TYR 866 Cb -0.11 0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.36 3d1m s TYR 866 CO 0.02 -0.18 0.28 -0.98 -1.52 0.00 0.00 175.55 173.17 3d1m s ARG 867 N 0.41 0.59 0.26 -3.49 1.70 -0.69 -0.88 118.95 116.85 3d1m s ARG 867 Ca -0.02 -0.13 -0.31 0.00 -0.47 0.00 0.00 55.73 54.80 3d1m s ARG 867 Cb -0.04 0.26 -0.13 0.00 -0.57 0.00 0.00 34.95 34.48 3d1m s ARG 867 CO -0.02 -0.15 1.51 -2.30 -1.08 0.00 0.00 175.30 173.26 3d1m n PRO 868 N 1.57 2.35 0.22 3.89 -0.02 -1.26 -0.14 135.00 141.60 3d1m n PRO 868 Ca -0.20 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.27 3d1m n PRO 868 Cb 0.56 -2.56 0.82 0.00 -0.02 0.00 0.00 33.50 32.31 3d1m n PRO 868 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3d1m h THR 869 N 3.23 0.56 0.00 3.45 2.02 -1.30 -0.31 112.91 120.55 3d1m h THR 869 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3d1m h THR 869 Cb 1.25 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3d1m h THR 869 CO 0.79 0.00 0.00 0.44 0.37 0.00 0.00 175.52 177.12 3d1m h ASP 870 N 0.00 0.00 -3.32 4.18 3.32 -1.89 -3.41 116.42 115.29 3d1m h ASP 870 Ca 0.06 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.55 3d1m h ASP 870 Cb 0.34 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3d1m h ASP 870 CO -0.00 0.00 -0.02 -0.55 -1.72 0.00 0.00 179.24 176.95 3d1m s SER 871 N -5.37 6.91 -0.16 6.45 0.15 -0.13 -4.95 113.70 116.60 3d1m s SER 871 Ca -0.00 1.09 0.16 0.00 0.70 0.00 0.00 55.95 57.89 3d1m s SER 871 Cb 0.10 -2.36 0.55 0.00 -1.71 0.00 0.00 66.02 62.60 3d1m s SER 871 CO 0.48 0.02 1.45 0.47 1.20 0.00 0.00 173.24 176.87 3d1m n ASP 872 N 3.21 4.05 -4.52 5.45 10.43 -1.26 -4.88 116.55 129.03 3d1m n ASP 872 Ca -0.05 -2.88 -0.42 0.00 2.57 0.00 0.00 54.79 54.00 3d1m n ASP 872 Cb 0.51 -0.53 -0.08 0.00 1.84 0.00 0.00 41.12 42.86 3d1m n ASP 872 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3d1m s ASN 873 N -1.66 6.25 0.22 -2.24 3.84 -1.26 -4.93 114.94 115.16 3d1m s ASN 873 Ca 0.42 -0.38 0.21 0.00 0.21 0.00 0.00 52.86 53.31 3d1m s ASN 873 Cb 0.33 -2.25 0.92 0.00 -0.55 0.00 0.00 41.25 39.69 3d1m s ASN 873 CO 0.11 -0.57 1.63 0.47 -2.79 0.00 0.00 177.10 175.94 3d1m n ASP 874 N 5.77 0.52 0.09 -4.21 8.00 -1.26 -0.86 116.55 124.59 3d1m n ASP 874 Ca -0.06 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.22 3d1m n ASP 874 Cb 0.48 -0.75 0.45 0.00 -0.02 0.00 0.00 41.12 41.28 3d1m n ASP 874 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3d1m n SER 875 N -2.10 0.58 -0.43 -2.24 3.41 -1.26 -3.89 113.62 107.70 3d1m n SER 875 Ca 0.01 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3d1m n SER 875 Cb 0.17 -0.73 0.50 0.00 -0.26 0.00 0.00 64.21 63.89 3d1m n SER 875 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d1m n ASP 876 N -2.08 1.30 -4.70 4.04 8.00 -0.04 -4.85 116.55 118.22 3d1m n ASP 876 Ca 0.04 -1.53 -0.42 0.00 0.71 0.00 0.00 54.79 53.59 3d1m n ASP 876 Cb 0.33 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3d1m n ASP 876 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3d1m s TYR 877 N -1.91 3.04 0.39 1.24 1.51 -1.25 -4.59 117.35 115.77 3d1m s TYR 877 Ca 0.36 0.88 -0.06 0.00 -1.01 0.00 0.00 57.07 57.24 3d1m s TYR 877 Cb 0.19 -3.67 -0.05 0.00 -0.11 0.00 0.00 41.96 38.32 3d1m s TYR 877 CO 0.30 -2.41 0.68 0.21 -1.11 0.00 0.00 175.55 173.22 3d1m s LYS 878 N 1.76 3.62 -0.07 -0.62 2.20 -0.06 -4.87 119.74 121.70 3d1m s LYS 878 Ca 0.64 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 3d1m s LYS 878 Cb -0.34 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.49 3d1m s LYS 878 CO 0.29 0.01 -0.15 0.50 -0.36 0.00 0.00 175.35 175.63 3d1m s ARG 879 N -4.12 1.99 -0.09 4.03 3.52 -1.26 -1.73 118.95 121.29 3d1m s ARG 879 Ca 0.46 -0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 55.49 3d1m s ARG 879 Cb -0.10 -1.61 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 3d1m s ARG 879 CO 0.36 0.10 0.05 -0.51 -0.81 0.00 0.00 175.30 174.49 3d1m s ASP 880 N 0.48 5.62 -0.21 -2.12 1.01 0.14 -4.95 116.67 116.64 3d1m s ASP 880 Ca -0.14 0.24 -0.08 0.00 0.71 0.00 0.00 52.55 53.29 3d1m s ASP 880 Cb -0.15 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 3d1m s ASP 880 CO 0.05 0.38 0.07 -0.69 0.21 0.00 0.00 175.17 175.19 3d1m s VAL 881 N -0.96 4.66 0.17 -1.27 1.01 -1.26 -0.68 120.40 122.07 3d1m s VAL 881 Ca 0.15 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.15 3d1m s VAL 881 Cb -0.12 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3d1m s VAL 881 CO 0.04 0.40 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 3d1m s VAL 882 N 0.91 1.92 0.68 2.92 -7.23 -0.07 -5.00 120.40 114.53 3d1m s VAL 882 Ca 0.04 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.17 3d1m s VAL 882 Cb -0.14 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.93 3d1m s VAL 882 CO 0.03 -0.25 1.07 -1.83 -0.31 0.00 0.00 175.10 173.80 3d1m s GLU 883 N -2.70 2.92 0.52 4.82 -1.05 -1.26 -1.02 118.70 120.93 3d1m s GLU 883 Ca 0.16 1.11 0.34 0.00 -0.15 0.00 0.00 54.97 56.42 3d1m s GLU 883 Cb -0.07 -1.98 1.49 0.00 -0.44 0.00 0.00 34.13 33.13 3d1m s GLU 883 CO 0.07 -1.12 2.00 0.78 0.95 0.00 0.00 175.26 177.94 3d1m h GLY 884 N -0.38 0.00 2.00 -3.83 0.00 -1.75 -2.81 103.07 96.30 3d1m h GLY 884 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3d1m h GLY 884 CO 0.56 0.00 -0.28 1.48 0.00 0.00 0.00 176.54 178.30 3d1m h SER 885 N 0.00 0.00 -3.88 0.19 4.64 -1.90 -3.47 113.55 109.14 3d1m h SER 885 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3d1m h SER 885 Cb 0.39 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3d1m h SER 885 CO 0.00 0.28 0.48 -0.54 -0.87 0.00 0.00 176.83 176.18 3d1m s LYS 886 N -3.16 4.38 -0.01 4.77 -0.14 -1.06 -4.96 119.74 119.56 3d1m s LYS 886 Ca 0.05 1.78 0.03 0.00 -1.36 0.00 0.00 55.97 56.47 3d1m s LYS 886 Cb 0.07 -2.92 0.07 0.00 -1.68 0.00 0.00 37.83 33.38 3d1m s LYS 886 CO 0.70 -0.02 1.05 1.04 -0.76 0.00 0.00 175.35 177.36 3d1m n GLN 887 N 0.62 2.83 -3.77 1.68 1.13 -1.26 -5.01 117.38 113.60 3d1m n GLN 887 Ca 0.02 -1.69 -0.10 0.00 -1.94 0.00 0.00 57.00 53.29 3d1m n GLN 887 Cb 0.46 -1.09 -0.05 0.00 0.11 0.00 0.00 30.24 29.66 3d1m n GLN 887 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 3d1m s TRP 888 N -1.19 0.01 -0.11 1.08 1.48 -1.26 -1.29 118.94 117.66 3d1m s TRP 888 Ca 0.07 -0.36 -0.22 0.00 -1.06 0.00 0.00 56.10 54.52 3d1m s TRP 888 Cb 0.05 0.19 0.05 0.00 -1.16 0.00 0.00 33.47 32.60 3d1m s TRP 888 CO 0.03 -0.76 0.54 -1.58 -4.06 0.00 0.00 176.95 171.11 3d1m s HIS 889 N -3.87 -0.52 -0.32 1.66 2.46 -0.30 -5.00 115.29 109.39 3d1m s HIS 889 Ca 0.09 1.06 -0.09 0.00 0.47 0.00 0.00 55.06 56.59 3d1m s HIS 889 Cb 0.02 0.25 0.01 0.00 -0.13 0.00 0.00 32.58 32.72 3d1m s HIS 889 CO -0.06 -0.42 0.15 1.41 -2.47 0.00 0.00 174.74 173.35 3d1m s MET 890 N -0.61 3.15 0.04 2.88 1.75 -1.26 -0.86 119.30 124.38 3d1m s MET 890 Ca -0.07 -0.84 -0.28 0.00 -1.25 0.00 0.00 55.69 53.24 3d1m s MET 890 Cb -0.03 -3.56 -0.04 0.00 2.84 0.00 0.00 34.83 34.03 3d1m s MET 890 CO 0.05 -0.49 0.91 0.42 -0.65 0.00 0.00 175.02 175.25 3d1m s ILE 891 N 1.57 4.75 0.32 10.11 1.01 0.20 -4.93 121.20 134.23 3d1m s ILE 891 Ca 0.03 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.62 3d1m s ILE 891 Cb -0.18 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 3d1m s ILE 891 CO 0.06 0.26 0.07 0.61 0.00 0.00 0.00 174.94 175.93 3d1m n GLY 892 N 2.62 3.58 2.96 6.18 0.00 -1.26 -1.35 105.19 117.92 3d1m n GLY 892 Ca 0.03 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 3d1m n GLY 892 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d1m n HIS 893 N -0.76 -1.79 -2.38 1.61 8.25 -1.06 -4.93 115.22 114.15 3d1m n HIS 893 Ca -0.08 0.42 -0.24 0.00 -0.26 0.00 0.00 57.72 57.55 3d1m n HIS 893 Cb 0.45 -4.08 0.06 0.00 1.12 0.00 0.00 29.99 27.54 3d1m n HIS 893 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d1m s LEU 894 N -6.51 3.00 0.04 2.41 1.43 -0.47 -5.07 118.68 113.51 3d1m s LEU 894 Ca 0.26 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 3d1m s LEU 894 Cb -0.12 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 3d1m s LEU 894 CO 0.32 -1.42 0.53 -1.10 0.23 0.00 0.00 176.35 174.91 3d1m s GLN 895 N -5.05 4.15 0.46 1.70 -1.52 -1.26 -4.50 119.66 113.63 3d1m s GLN 895 Ca 0.59 0.64 -0.23 0.00 -1.95 0.00 0.00 55.36 54.41 3d1m s GLN 895 Cb -0.11 -3.25 -0.09 0.00 -0.22 0.00 0.00 33.01 29.34 3d1m s GLN 895 CO 0.42 0.60 1.09 -2.30 -0.25 0.00 0.00 175.29 174.85 3d1m n PRO 896 N 1.93 1.44 -4.13 2.91 -0.02 -0.96 -3.31 135.00 132.86 3d1m n PRO 896 Ca -0.11 0.52 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 3d1m n PRO 896 Cb 0.51 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3d1m n PRO 896 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d1m n GLU 897 N -0.17 -2.19 -4.74 -0.52 1.02 0.71 -4.97 120.64 109.78 3d1m n GLU 897 Ca 0.09 0.26 -0.25 0.00 -0.02 0.00 0.00 57.16 57.24 3d1m n GLU 897 Cb 0.41 -4.12 -0.16 0.00 -0.02 0.00 0.00 31.44 27.55 3d1m n GLU 897 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3d1m s THR 898 N -4.13 1.30 0.16 2.62 2.01 -1.21 -4.91 115.64 111.49 3d1m s THR 898 Ca 0.03 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 3d1m s THR 898 Cb -0.02 -1.13 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 3d1m s THR 898 CO 0.94 0.38 0.79 -0.55 -0.69 0.00 0.00 174.62 175.49 3d1m s SER 899 N 0.18 7.40 0.01 3.53 0.15 -1.26 -1.28 113.70 122.44 3d1m s SER 899 Ca -0.06 1.66 0.06 0.00 0.70 0.00 0.00 55.95 58.30 3d1m s SER 899 Cb -0.12 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 3d1m s SER 899 CO 0.02 0.19 -0.17 -0.31 1.20 0.00 0.00 173.24 174.18 3d1m s TYR 900 N -1.08 1.52 0.03 3.44 1.51 0.20 -0.86 117.35 122.11 3d1m s TYR 900 Ca 0.36 -0.32 -0.24 0.00 -1.01 0.00 0.00 57.07 55.87 3d1m s TYR 900 Cb -0.23 -0.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 3d1m s TYR 900 CO 0.27 0.02 0.73 -0.51 -1.11 0.00 0.00 175.55 174.94 3d1m s ASP 901 N -0.73 7.15 -0.05 2.29 1.01 0.80 -1.22 116.67 125.91 3d1m s ASP 901 Ca 0.06 1.37 0.01 0.00 0.71 0.00 0.00 52.55 54.70 3d1m s ASP 901 Cb -0.07 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.44 3d1m s ASP 901 CO 0.00 0.02 -0.04 -0.63 0.21 0.00 0.00 175.17 174.73 3d1m s ILE 902 N -0.01 0.56 0.24 0.77 1.01 0.03 -1.70 121.20 122.12 3d1m s ILE 902 Ca 0.37 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 3d1m s ILE 902 Cb -0.20 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 3d1m s ILE 902 CO 0.21 0.24 0.42 -1.59 0.00 0.00 0.00 174.94 174.22 3d1m s LYS 903 N 1.11 1.51 0.21 2.79 -2.85 -0.60 -0.80 119.74 121.10 3d1m s LYS 903 Ca -0.08 -1.35 -0.16 0.00 -1.00 0.00 0.00 55.97 53.38 3d1m s LYS 903 Cb -0.14 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 3d1m s LYS 903 CO -0.01 -0.61 0.50 0.00 0.10 0.00 0.00 175.35 175.33 3d1m s MET 904 N -3.98 1.41 0.09 1.78 0.23 -1.26 0.31 119.30 117.88 3d1m s MET 904 Ca 0.26 -0.98 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 3d1m s MET 904 Cb 0.01 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.77 3d1m s MET 904 CO 0.10 -0.59 -0.07 -0.65 -2.03 0.00 0.00 175.02 171.79 3d1m s GLN 905 N -3.91 0.77 0.23 3.16 -0.21 -0.33 -0.49 119.66 118.88 3d1m s GLN 905 Ca 0.13 -1.23 0.06 0.00 0.02 0.00 0.00 55.36 54.34 3d1m s GLN 905 Cb -0.01 -0.20 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 3d1m s GLN 905 CO 0.00 -0.01 0.21 0.00 -2.12 0.00 0.00 175.29 173.37 3d1m s PHE 907 N -2.03 0.31 0.00 0.00 -0.12 -0.17 -1.03 117.98 114.95 3d1m s PHE 907 Ca 0.33 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.42 3d1m s PHE 907 Cb -0.08 -0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 3d1m s PHE 907 CO 0.25 -0.46 0.00 0.27 -0.05 0.00 0.00 175.22 175.23 3d1m n ASN 908 N 0.06 0.00 -0.10 1.98 0.23 0.55 -0.95 115.26 117.03 3d1m n ASN 908 Ca -0.15 -0.47 -0.03 0.00 -0.53 0.00 0.00 54.58 53.41 3d1m n ASN 908 Cb 0.62 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.52 3d1m n ASN 908 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3d1m h GLU 909 N 0.00 0.76 -0.68 -3.83 9.09 -2.00 -2.64 114.58 115.29 3d1m h GLU 909 Ca 0.00 -0.17 -0.06 0.00 0.05 0.00 0.00 59.36 59.18 3d1m h GLU 909 Cb 0.00 -0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 26.96 3d1m h GLU 909 CO 0.00 0.72 0.18 0.78 0.05 0.00 0.00 179.01 180.74 3d1m h GLY 910 N 0.94 1.16 0.00 1.06 0.00 -1.96 -3.49 103.07 100.78 3d1m h GLY 910 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3d1m h GLY 910 CO 0.00 0.66 0.00 0.61 0.00 0.00 0.00 176.54 177.82 3d1m n GLY 911 N -0.69 -0.50 3.30 4.60 0.00 -1.00 -5.03 105.19 105.87 3d1m n GLY 911 Ca 0.05 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 3d1m n GLY 911 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d1m s GLU 912 N -1.96 1.19 0.74 1.61 8.01 -1.26 -0.33 118.70 126.69 3d1m s GLU 912 Ca 0.00 -1.37 -0.11 0.00 0.01 0.00 0.00 54.97 53.50 3d1m s GLU 912 Cb 0.00 -1.14 0.04 0.00 -4.31 0.00 0.00 34.13 28.71 3d1m s GLU 912 CO 0.00 0.22 1.11 -1.54 0.01 0.00 0.00 175.26 175.07 3d1m s SER 913 N -2.66 5.11 0.47 -0.19 1.04 -0.19 -4.64 113.70 112.63 3d1m s SER 913 Ca 0.14 0.97 -0.19 0.00 0.48 0.00 0.00 55.95 57.35 3d1m s SER 913 Cb -0.05 -1.67 -0.15 0.00 0.10 0.00 0.00 66.02 64.26 3d1m s SER 913 CO 0.05 -1.53 -0.03 1.21 0.98 0.00 0.00 173.24 173.93 3d1m n GLU 914 N -3.09 0.02 -2.26 4.02 2.13 -1.26 -4.76 120.64 115.45 3d1m n GLU 914 Ca 0.07 0.01 -0.36 0.00 0.66 0.00 0.00 57.16 57.54 3d1m n GLU 914 Cb 0.59 -1.03 -0.00 0.00 0.27 0.00 0.00 31.44 31.27 3d1m n GLU 914 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3d1m s PHE 915 N -1.88 2.72 1.30 4.31 0.40 -1.26 -4.39 117.98 119.17 3d1m s PHE 915 Ca 0.58 1.54 -0.21 0.00 -0.60 0.00 0.00 56.93 58.24 3d1m s PHE 915 Cb -0.54 -3.32 0.32 0.00 0.51 0.00 0.00 43.02 39.99 3d1m s PHE 915 CO 0.65 -1.57 1.04 -1.54 0.70 0.00 0.00 175.22 174.49 3d1m s SER 916 N -1.65 0.05 0.82 1.36 1.04 0.36 -4.91 113.70 110.76 3d1m s SER 916 Ca 0.70 0.72 -0.15 0.00 0.48 0.00 0.00 55.95 57.71 3d1m s SER 916 Cb -0.25 -1.01 -0.00 0.00 0.10 0.00 0.00 66.02 64.85 3d1m s SER 916 CO 0.29 -4.67 0.53 -0.46 0.98 0.00 0.00 173.24 169.91 3d1m n ASN 917 N -5.14 -1.37 -4.19 7.02 6.94 -1.26 -4.72 115.26 112.53 3d1m n ASN 917 Ca 0.13 0.49 -0.34 0.00 -0.02 0.00 0.00 54.58 54.84 3d1m n ASN 917 Cb 0.60 -1.23 -0.15 0.00 -2.36 0.00 0.00 39.78 36.63 3d1m n ASN 917 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3d1m s VAL 918 N -2.10 2.68 0.23 3.53 1.01 -1.26 -4.54 120.40 119.94 3d1m s VAL 918 Ca 0.63 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3d1m s VAL 918 Cb -0.29 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3d1m s VAL 918 CO 0.61 0.36 0.44 -0.04 0.00 0.00 0.00 175.10 176.46 3d1m s MET 919 N 1.34 3.54 -0.08 2.72 -1.94 0.02 -4.89 119.30 120.01 3d1m s MET 919 Ca 0.03 -0.27 0.04 0.00 -1.71 0.00 0.00 55.69 53.78 3d1m s MET 919 Cb -0.15 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 3d1m s MET 919 CO -0.07 0.34 -0.22 0.42 -0.01 0.00 0.00 175.02 175.48 3d1m s ILE 920 N -1.95 2.29 -0.16 2.53 1.01 -1.26 -0.79 121.20 122.88 3d1m s ILE 920 Ca 0.40 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3d1m s ILE 920 Cb -0.11 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.54 3d1m s ILE 920 CO 0.30 0.56 0.39 0.00 0.00 0.00 0.00 174.94 176.19 3d1m s GLU 922 N 1.13 3.59 0.89 0.00 2.02 -1.26 -0.62 118.70 124.44 3d1m s GLU 922 Ca -0.07 -0.17 -0.11 0.00 0.02 0.00 0.00 54.97 54.63 3d1m s GLU 922 Cb -0.07 -3.22 0.12 0.00 0.10 0.00 0.00 34.13 31.06 3d1m s GLU 922 CO -0.10 0.66 1.09 0.95 0.02 0.00 0.00 175.26 177.89 3d1m s THR 923 N -0.69 2.71 -2.00 3.63 -4.23 -0.40 -4.38 115.64 110.28 3d1m s THR 923 Ca 0.13 0.23 0.17 0.00 -1.18 0.00 0.00 61.69 61.05 3d1m s THR 923 Cb -0.12 -2.64 0.49 0.00 1.34 0.00 0.00 72.50 71.58 3d1m s THR 923 CO 0.03 -0.30 1.44 0.29 -0.54 0.00 0.00 174.62 175.53