#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1us8 h ALA 740 N 0.00 0.70 -0.49 1.96 0.00 -2.06 -2.36 119.26 117.02 1us8 h ALA 740 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1us8 h ALA 740 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1us8 h ALA 740 CO 0.00 0.67 0.25 -0.09 0.00 0.00 0.00 179.25 180.08 1us8 h ARG 741 N 0.83 0.69 -0.69 0.00 2.43 -2.05 -2.23 114.38 113.37 1us8 h ARG 741 Ca 0.11 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1us8 h ARG 741 Cb 0.81 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1us8 h ARG 741 CO 0.07 0.57 0.29 1.49 -1.51 0.00 0.00 179.97 180.88 1us8 h GLU 742 N 0.65 1.00 -0.51 0.20 4.81 -1.97 -1.47 114.58 117.29 1us8 h GLU 742 Ca 0.17 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1us8 h GLU 742 Cb 0.09 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1us8 h GLU 742 CO -0.02 0.80 -0.06 0.00 -0.73 0.00 0.00 179.01 179.00 1us8 h ALA 743 N 1.33 0.93 -0.02 2.92 0.00 -1.12 -1.05 119.26 122.25 1us8 h ALA 743 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1us8 h ALA 743 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1us8 h ALA 743 CO -0.02 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 1us8 h ALA 744 N 1.10 0.03 -0.25 0.00 0.00 -1.05 -1.66 119.26 117.43 1us8 h ALA 744 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1us8 h ALA 744 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1us8 h ALA 744 CO 0.03 -0.20 0.05 -0.07 0.00 0.00 0.00 179.25 179.06 1us8 h LEU 745 N -0.44 0.32 -0.34 0.00 4.07 -1.28 -1.43 115.31 116.21 1us8 h LEU 745 Ca 0.00 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1us8 h LEU 745 Cb 0.53 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1us8 h LEU 745 CO 0.00 0.33 -0.09 -1.28 -1.08 0.00 0.00 178.44 176.33 1us8 h SER 746 N 0.35 0.66 -0.31 -0.43 0.87 -1.10 -1.33 113.55 112.26 1us8 h SER 746 Ca 0.09 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1us8 h SER 746 Cb 0.15 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1us8 h SER 746 CO -0.00 0.88 0.03 0.50 -0.53 0.00 0.00 176.83 177.71 1us8 h LYS 747 N 0.44 0.53 -0.58 2.24 1.63 -0.82 -1.99 116.57 118.02 1us8 h LYS 747 Ca 0.08 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1us8 h LYS 747 Cb 0.60 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1us8 h LYS 747 CO 0.04 0.65 0.30 0.82 -3.45 0.00 0.00 179.45 177.81 1us8 h ILE 748 N 0.34 1.18 -0.56 2.00 2.04 -1.26 -1.61 117.51 119.64 1us8 h ILE 748 Ca 0.09 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1us8 h ILE 748 Cb 0.39 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1us8 h ILE 748 CO 0.01 0.21 -0.02 1.23 0.00 0.00 0.00 178.15 179.58 1us8 h GLY 749 N 0.88 1.07 0.86 5.37 0.00 -0.99 0.35 103.07 110.62 1us8 h GLY 749 Ca 0.20 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1us8 h GLY 749 CO -0.03 0.72 0.06 -2.09 0.00 0.00 0.00 176.54 175.19 1us8 h GLU 750 N 0.90 0.27 -0.36 4.80 4.81 -0.60 0.19 114.58 124.60 1us8 h GLU 750 Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1us8 h GLU 750 Cb 0.56 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1us8 h GLU 750 CO 0.03 0.38 0.18 -0.07 -0.73 0.00 0.00 179.01 178.80 1us8 h LEU 751 N 0.11 0.46 -1.11 1.64 3.38 -1.19 -2.27 115.31 116.32 1us8 h LEU 751 Ca 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1us8 h LEU 751 Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1us8 h LEU 751 CO -0.00 0.44 0.30 0.00 0.09 0.00 0.00 178.44 179.27 1us8 h ALA 752 N 1.04 1.30 -0.02 1.53 0.00 -0.75 -2.46 119.26 119.90 1us8 h ALA 752 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1us8 h ALA 752 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1us8 h ALA 752 CO -0.02 0.53 0.01 0.77 0.00 0.00 0.00 179.25 180.55 1us8 h SER 753 N 0.92 0.03 -0.23 0.00 0.02 -0.24 0.11 113.55 114.15 1us8 h SER 753 Ca 0.22 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1us8 h SER 753 Cb 0.12 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1us8 h SER 753 CO -0.03 0.05 0.15 -0.33 -1.14 0.00 0.00 176.83 175.53 1us8 h GLU 754 N -0.01 0.29 -0.41 3.45 5.08 -1.23 0.07 114.58 121.82 1us8 h GLU 754 Ca 0.01 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1us8 h GLU 754 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1us8 h GLU 754 CO -0.00 0.19 -0.05 0.82 -1.00 0.00 0.00 179.01 178.97 1us8 h ILE 755 N 0.30 1.27 -0.55 3.13 2.04 -1.33 -1.98 117.51 120.39 1us8 h ILE 755 Ca 0.09 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1us8 h ILE 755 Cb -0.02 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1us8 h ILE 755 CO -0.03 0.38 0.02 0.15 0.00 0.00 0.00 178.15 178.66 1us8 h PHE 756 N 0.58 1.03 -0.78 1.37 3.57 -0.68 0.27 116.94 122.31 1us8 h PHE 756 Ca 0.11 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1us8 h PHE 756 Cb 0.56 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1us8 h PHE 756 CO 0.04 0.94 0.52 0.00 -2.23 0.00 0.00 178.31 177.58 1us8 h ALA 757 N 0.96 1.45 -0.30 2.41 0.00 -0.91 -0.60 119.26 122.27 1us8 h ALA 757 Ca 0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1us8 h ALA 757 Cb 0.51 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1us8 h ALA 757 CO 0.02 0.51 -0.30 1.49 0.00 0.00 0.00 179.25 180.98 1us8 h GLU 758 N 1.06 0.73 0.00 0.00 4.22 -0.85 0.51 114.58 120.24 1us8 h GLU 758 Ca 0.29 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1us8 h GLU 758 Cb -0.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1us8 h GLU 758 CO -0.06 1.00 0.00 0.74 -2.18 0.00 0.00 179.01 178.51 1us8 h PHE 759 N 0.48 0.00 -0.09 0.92 0.04 -0.16 -2.91 116.94 115.22 1us8 h PHE 759 Ca 0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1us8 h PHE 759 Cb 0.87 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1us8 h PHE 759 CO 0.07 0.00 -0.08 0.25 -0.60 0.00 0.00 178.31 177.95 1us8 n THR 760 N -2.87 2.09 -3.41 -1.55 -2.24 -0.31 -4.97 114.28 101.02 1us8 n THR 760 Ca 0.00 -2.37 -0.24 0.00 -2.27 0.00 0.00 64.05 59.17 1us8 n THR 760 Cb 0.23 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1us8 n THR 760 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1us8 n GLU 761 N -1.15 -3.85 -1.00 -0.78 4.71 -0.90 -1.04 120.64 116.63 1us8 n GLU 761 Ca 0.19 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.89 1us8 n GLU 761 Cb 0.74 -5.30 0.00 0.00 -1.01 0.00 0.00 31.44 25.87 1us8 n GLU 761 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1us8 n GLY 762 N -1.29 0.50 0.32 0.62 0.00 0.17 -4.91 105.19 100.60 1us8 n GLY 762 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1us8 n GLY 762 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1us8 h LYS 763 N 1.09 0.86 -5.32 1.61 3.64 -1.31 -3.40 116.57 113.74 1us8 h LYS 763 Ca 0.00 -0.12 -0.66 0.00 -1.27 0.00 0.00 60.65 58.59 1us8 h LYS 763 Cb 0.08 -0.16 -0.28 0.00 -0.41 0.00 0.00 32.23 31.46 1us8 h LYS 763 CO 0.00 0.69 -0.79 0.71 -2.27 0.00 0.00 179.45 177.79 1us8 s TYR 764 N -5.43 2.76 -0.13 1.91 2.02 -1.26 -4.59 117.35 112.63 1us8 s TYR 764 Ca -0.10 -0.73 0.15 0.00 -0.37 0.00 0.00 57.07 56.03 1us8 s TYR 764 Cb 0.16 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 1us8 s TYR 764 CO 0.79 -0.25 1.23 0.66 -1.57 0.00 0.00 175.55 176.41 1us8 h SER 765 N 6.70 0.00 -5.13 2.29 4.64 -1.46 -3.36 113.55 117.24 1us8 h SER 765 Ca -0.24 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1us8 h SER 765 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 1us8 h SER 765 CO 0.54 0.55 0.39 -1.83 -0.87 0.00 0.00 176.83 175.61 1us8 s GLU 766 N -2.94 1.32 -0.13 4.77 -1.05 -1.26 -4.81 118.70 114.61 1us8 s GLU 766 Ca 0.02 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.17 1us8 s GLU 766 Cb 0.08 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1us8 s GLU 766 CO 0.77 -0.60 -0.21 0.08 0.95 0.00 0.00 175.26 176.25 1us8 s VAL 767 N -3.48 2.25 -0.19 1.83 1.01 -1.26 -1.26 120.40 119.30 1us8 s VAL 767 Ca 0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1us8 s VAL 767 Cb -0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1us8 s VAL 767 CO 0.01 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 1us8 s VAL 768 N 0.65 3.94 -0.46 2.92 1.01 0.19 -4.63 120.40 124.02 1us8 s VAL 768 Ca -0.10 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1us8 s VAL 768 Cb -0.16 -2.78 0.09 0.00 0.00 0.00 0.00 36.38 33.53 1us8 s VAL 768 CO 0.02 0.44 0.35 -0.69 0.00 0.00 0.00 175.10 175.22 1us8 s VAL 769 N 0.90 4.74 0.03 2.92 1.01 -1.26 -0.66 120.40 128.08 1us8 s VAL 769 Ca 0.01 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 1us8 s VAL 769 Cb -0.14 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1us8 s VAL 769 CO 0.02 -0.60 0.47 -0.13 0.00 0.00 0.00 175.10 174.86 1us8 s ARG 770 N 1.53 4.03 -0.46 2.72 3.00 0.20 -4.86 118.95 125.11 1us8 s ARG 770 Ca 0.04 0.54 -0.27 0.00 0.00 0.00 0.00 55.73 56.04 1us8 s ARG 770 Cb -0.25 -3.23 -0.05 0.00 0.00 0.00 0.00 34.95 31.43 1us8 s ARG 770 CO 0.04 0.67 2.16 0.00 0.00 0.00 0.00 175.30 178.17 1us8 s ALA 771 N -1.08 2.09 -0.24 2.13 0.00 -1.26 0.84 121.76 124.25 1us8 s ALA 771 Ca 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1us8 s ALA 771 Cb -0.18 -4.25 0.02 0.00 0.00 0.00 0.00 23.12 18.72 1us8 s ALA 771 CO 0.15 -3.83 -0.08 0.08 0.00 0.00 0.00 175.76 172.09 1us8 s VAL 776 N 10.14 2.78 0.06 0.00 1.01 -1.26 -5.14 120.40 128.00 1us8 s VAL 776 Ca 0.88 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1us8 s VAL 776 Cb -0.19 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1us8 s VAL 776 CO 0.27 0.24 -0.24 -0.13 0.00 0.00 0.00 175.10 175.24 1us8 s ARG 777 N 1.32 1.80 -0.03 2.72 0.52 0.25 -5.14 118.95 120.39 1us8 s ARG 777 Ca 0.01 -1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1us8 s ARG 777 Cb -0.16 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1us8 s ARG 777 CO -0.05 0.51 0.06 -0.51 0.02 0.00 0.00 175.30 175.32 1us8 s LEU 778 N -1.46 3.80 0.04 2.53 1.43 -1.26 0.63 118.68 124.39 1us8 s LEU 778 Ca 0.13 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1us8 s LEU 778 Cb -0.10 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1us8 s LEU 778 CO 0.04 0.30 -0.06 -0.36 0.23 0.00 0.00 176.35 176.50 1us8 s PHE 779 N -1.11 0.51 0.10 0.29 0.40 0.16 -4.40 117.98 113.93 1us8 s PHE 779 Ca 0.20 -0.55 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1us8 s PHE 779 Cb -0.12 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.05 1us8 s PHE 779 CO 0.10 -0.14 -0.19 0.14 0.70 0.00 0.00 175.22 175.84 1us8 s VAL 780 N -1.62 2.79 -0.24 -0.44 -7.23 -0.80 0.57 120.40 113.45 1us8 s VAL 780 Ca -0.11 -1.47 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 1us8 s VAL 780 Cb -0.09 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1us8 s VAL 780 CO -0.01 0.14 0.13 -0.69 -0.31 0.00 0.00 175.10 174.37 1us8 s VAL 781 N -1.10 5.12 -0.07 1.32 1.01 -0.39 0.33 120.40 126.61 1us8 s VAL 781 Ca 0.17 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1us8 s VAL 781 Cb -0.11 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1us8 s VAL 781 CO 0.09 0.35 -0.05 0.86 0.00 0.00 0.00 175.10 176.35 1us8 s TRP 782 N 1.10 0.98 -1.48 5.22 -0.00 -0.61 -1.43 118.94 122.72 1us8 s TRP 782 Ca 0.06 -0.35 -0.09 0.00 -0.00 0.00 0.00 56.10 55.72 1us8 s TRP 782 Cb -0.14 -0.88 0.06 0.00 -0.00 0.00 0.00 33.47 32.52 1us8 s TRP 782 CO 0.04 -0.31 0.83 0.39 -0.00 0.00 0.00 176.95 177.91 1us8 n GLU 783 N 4.48 -4.87 -0.94 5.86 -0.58 -1.26 -1.80 120.64 121.52 1us8 n GLU 783 Ca -0.17 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1us8 n GLU 783 Cb 0.51 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.12 1us8 n GLU 783 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1us8 n GLY 784 N -1.67 0.55 3.15 0.62 0.00 -1.26 -5.02 105.19 101.57 1us8 n GLY 784 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1us8 n GLY 784 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1us8 s LYS 785 N -0.38 1.85 -0.05 1.61 2.20 -0.75 -5.10 119.74 119.12 1us8 s LYS 785 Ca 0.00 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 1us8 s LYS 785 Cb 0.00 -1.61 -0.03 0.00 -1.51 0.00 0.00 37.83 34.68 1us8 s LYS 785 CO 0.00 0.26 1.21 -1.21 -0.36 0.00 0.00 175.35 175.25 1us8 s GLU 786 N 0.01 4.35 0.19 4.03 2.02 -1.26 -1.58 118.70 126.46 1us8 s GLU 786 Ca -0.03 1.69 0.11 0.00 0.02 0.00 0.00 54.97 56.76 1us8 s GLU 786 Cb -0.12 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1us8 s GLU 786 CO 0.02 -0.45 -0.24 1.03 0.02 0.00 0.00 175.26 175.64 1us8 s ARG 787 N 2.21 1.52 0.72 1.61 1.81 0.15 -4.93 118.95 122.04 1us8 s ARG 787 Ca 0.56 -1.53 -0.11 0.00 -1.72 0.00 0.00 55.73 52.93 1us8 s ARG 787 Cb -0.25 -1.84 0.02 0.00 -0.45 0.00 0.00 34.95 32.43 1us8 s ARG 787 CO 0.22 0.40 1.07 -2.14 -0.68 0.00 0.00 175.30 174.17 1us8 s PRO 788 N -2.69 2.71 0.58 3.54 0.02 -1.26 -1.90 135.00 136.00 1us8 s PRO 788 Ca 0.21 1.07 0.36 0.00 0.02 0.00 0.00 61.00 62.66 1us8 s PRO 788 Cb -0.08 -1.96 1.74 0.00 0.02 0.00 0.00 34.50 34.23 1us8 s PRO 788 CO 0.10 -1.29 2.14 -0.07 -0.33 0.00 0.00 177.00 177.55 1us8 h LEU 789 N -0.76 0.00 -2.25 -5.54 3.38 -1.97 -2.80 115.31 105.36 1us8 h LEU 789 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1us8 h LEU 789 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1us8 h LEU 789 CO 0.55 0.04 0.15 0.71 0.09 0.00 0.00 178.44 179.97 1us8 h THR 790 N 0.00 0.00 0.00 0.22 1.35 -1.97 -0.53 112.91 111.99 1us8 h THR 790 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1us8 h THR 790 Cb 0.30 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1us8 h THR 790 CO 0.00 0.00 -0.31 0.49 -0.25 0.00 0.00 175.52 175.45 1us8 n PHE 791 N -2.82 0.00 -2.53 4.73 3.72 -1.06 -4.91 117.46 114.60 1us8 n PHE 791 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 1us8 n PHE 791 Cb 0.21 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 1us8 n PHE 791 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1us8 s LEU 792 N -3.01 4.37 0.70 4.37 1.43 -0.21 -5.05 118.68 121.28 1us8 s LEU 792 Ca 0.12 2.14 -0.07 0.00 -1.03 0.00 0.00 54.13 55.28 1us8 s LEU 792 Cb 0.18 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.57 1us8 s LEU 792 CO 0.64 -0.28 1.02 0.00 0.23 0.00 0.00 176.35 177.96 1us8 s ARG 793 N -1.92 2.33 0.13 1.70 1.04 -1.26 -4.82 118.95 116.15 1us8 s ARG 793 Ca 0.50 -0.12 -0.29 0.00 -1.04 0.00 0.00 55.73 54.78 1us8 s ARG 793 Cb -0.27 -2.15 -0.09 0.00 -2.04 0.00 0.00 34.95 30.41 1us8 s ARG 793 CO 0.34 -1.18 1.49 0.78 -0.04 0.00 0.00 175.30 176.69 1us8 h GLY 794 N -0.59 -1.09 1.79 3.88 0.00 -1.97 -1.26 103.07 103.83 1us8 h GLY 794 Ca -0.45 0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1us8 h GLY 794 CO 0.61 -0.15 0.14 -1.33 0.00 0.00 0.00 176.54 175.82 1us8 h GLY 795 N -0.24 0.31 2.00 4.60 0.00 -1.90 -1.64 103.07 106.20 1us8 h GLY 795 Ca 0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 1us8 h GLY 795 CO -0.63 0.11 -0.45 0.83 0.00 0.00 0.00 176.54 176.39 1us8 h GLU 796 N 0.29 0.00 -0.27 4.80 5.08 -1.66 -1.25 114.58 121.57 1us8 h GLU 796 Ca 0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1us8 h GLU 796 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1us8 h GLU 796 CO -0.02 0.45 -0.21 0.00 -1.00 0.00 0.00 179.01 178.24 1us8 h ARG 797 N 0.00 0.62 -0.56 2.33 3.08 -0.30 -0.50 114.38 119.05 1us8 h ARG 797 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1us8 h ARG 797 Cb 0.95 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1us8 h ARG 797 CO 0.06 0.90 0.31 0.82 -1.07 0.00 0.00 179.97 180.98 1us8 h ILE 798 N 0.35 1.19 -0.68 2.04 2.04 -1.27 -0.41 117.51 120.76 1us8 h ILE 798 Ca 0.05 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1us8 h ILE 798 Cb 0.75 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1us8 h ILE 798 CO 0.05 0.20 0.25 0.00 0.00 0.00 0.00 178.15 178.66 1us8 h ALA 799 N 1.14 1.16 -0.15 1.87 0.00 -1.09 -2.14 119.26 120.05 1us8 h ALA 799 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1us8 h ALA 799 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1us8 h ALA 799 CO -0.03 0.60 -0.20 1.25 0.00 0.00 0.00 179.25 180.86 1us8 h LEU 800 N 0.99 0.43 -0.77 0.00 5.85 -0.67 -0.12 115.31 121.03 1us8 h LEU 800 Ca 0.23 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1us8 h LEU 800 Cb 0.22 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1us8 h LEU 800 CO -0.02 0.86 0.50 1.23 -0.34 0.00 0.00 178.44 180.68 1us8 h GLY 801 N 0.01 1.09 1.24 3.75 0.00 -1.00 -0.86 103.07 107.31 1us8 h GLY 801 Ca 0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 47.33 46.75 1us8 h GLY 801 CO 0.05 0.38 -0.66 1.41 0.00 0.00 0.00 176.54 177.71 1us8 h LEU 802 N 1.02 0.88 -0.77 3.11 3.38 -1.41 -2.19 115.31 119.33 1us8 h LEU 802 Ca 0.29 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1us8 h LEU 802 Cb -0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1us8 h LEU 802 CO -0.07 1.31 0.51 0.00 0.09 0.00 0.00 178.44 180.28 1us8 h ALA 803 N 0.69 0.99 -0.45 1.53 0.00 -0.68 0.12 119.26 121.45 1us8 h ALA 803 Ca -0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1us8 h ALA 803 Cb 1.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1us8 h ALA 803 CO 0.14 0.38 -0.23 0.35 0.00 0.00 0.00 179.25 179.89 1us8 h PHE 804 N 1.04 1.07 -0.40 0.00 3.57 -1.12 -0.59 116.94 120.50 1us8 h PHE 804 Ca 0.29 -0.26 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1us8 h PHE 804 Cb -0.10 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1us8 h PHE 804 CO -0.02 1.06 0.01 0.00 -2.23 0.00 0.00 178.31 177.13 1us8 h ARG 805 N 0.80 0.70 -0.36 1.11 2.47 -0.90 -1.55 114.38 116.65 1us8 h ARG 805 Ca 0.10 -0.21 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 1us8 h ARG 805 Cb 0.79 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 1us8 h ARG 805 CO 0.07 0.78 0.02 -0.07 0.56 0.00 0.00 179.97 181.32 1us8 h LEU 806 N 0.53 0.52 -0.36 3.04 3.38 -0.64 -0.73 115.31 121.05 1us8 h LEU 806 Ca 0.11 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1us8 h LEU 806 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1us8 h LEU 806 CO 0.02 0.58 0.07 0.00 0.09 0.00 0.00 178.44 179.19 1us8 h ALA 807 N 1.49 0.47 -0.83 1.53 0.00 -0.79 -1.55 119.26 119.59 1us8 h ALA 807 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1us8 h ALA 807 Cb 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1us8 h ALA 807 CO 0.01 0.16 0.44 0.52 0.00 0.00 0.00 179.25 180.38 1us8 h MET 808 N 0.43 1.16 -0.30 0.00 2.86 -0.82 0.56 114.93 118.81 1us8 h MET 808 Ca 0.11 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1us8 h MET 808 Cb 0.34 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1us8 h MET 808 CO 0.00 0.86 0.20 1.03 1.06 0.00 0.00 176.91 180.06 1us8 h SER 809 N 1.16 0.35 -0.36 1.22 0.87 -0.79 -0.58 113.55 115.43 1us8 h SER 809 Ca 0.29 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1us8 h SER 809 Cb 0.05 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1us8 h SER 809 CO -0.04 0.26 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.32 1us8 h LEU 810 N 0.41 0.73 -0.65 2.23 3.38 -0.95 0.28 115.31 120.73 1us8 h LEU 810 Ca 0.11 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1us8 h LEU 810 Cb -0.04 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1us8 h LEU 810 CO -0.02 0.94 0.35 0.22 0.09 0.00 0.00 178.44 180.02 1us8 h TYR 811 N 0.50 0.64 0.19 1.13 3.20 -0.66 0.22 116.97 122.18 1us8 h TYR 811 Ca 0.09 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.65 1us8 h TYR 811 Cb 0.64 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.73 1us8 h TYR 811 CO 0.05 0.30 -1.64 -0.07 -1.64 0.00 0.00 178.16 175.16 1us8 h LEU 812 N 0.64 0.61 0.00 2.82 3.38 -1.05 -3.40 115.31 118.32 1us8 h LEU 812 Ca 0.29 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1us8 h LEU 812 Cb 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1us8 h LEU 812 CO -0.19 1.75 -1.48 0.00 0.09 0.00 0.00 178.44 178.61 1us8 n ALA 813 N -2.86 3.55 0.00 1.53 0.00 0.08 -4.98 120.51 117.83 1us8 n ALA 813 Ca -0.24 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1us8 n ALA 813 Cb 1.05 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1us8 n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1us8 n GLY 814 N 1.40 2.83 3.68 0.00 0.00 0.76 -4.91 105.19 108.96 1us8 n GLY 814 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1us8 n GLY 814 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1us8 s GLU 815 N -0.07 0.93 -0.16 1.61 -1.05 -1.26 -4.98 118.70 113.72 1us8 s GLU 815 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1us8 s GLU 815 Cb 0.00 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1us8 s GLU 815 CO 0.00 -0.42 -0.12 0.42 0.95 0.00 0.00 175.26 176.09 1us8 s ILE 816 N -3.04 1.54 -0.17 1.83 1.01 -1.26 -4.71 121.20 116.40 1us8 s ILE 816 Ca 0.11 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 1us8 s ILE 816 Cb -0.00 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 1us8 s ILE 816 CO -0.01 0.35 -0.31 -1.54 0.00 0.00 0.00 174.94 173.42 1us8 n SER 817 N 4.76 1.82 -4.43 3.58 3.41 -1.26 -4.50 113.62 117.01 1us8 n SER 817 Ca -0.16 0.31 -0.32 0.00 -0.26 0.00 0.00 58.87 58.44 1us8 n SER 817 Cb 0.49 -0.70 -0.14 0.00 -0.26 0.00 0.00 64.21 63.60 1us8 n SER 817 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1us8 s LEU 818 N -7.71 2.53 -0.04 1.04 2.96 -1.26 -1.83 118.68 114.37 1us8 s LEU 818 Ca -0.28 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1us8 s LEU 818 Cb 0.06 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.28 1us8 s LEU 818 CO 0.39 0.33 -0.00 -0.22 -1.32 0.00 0.00 176.35 175.53 1us8 s LEU 819 N -0.73 1.04 -0.23 -0.68 2.96 -0.67 -5.02 118.68 115.34 1us8 s LEU 819 Ca 0.11 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1us8 s LEU 819 Cb -0.10 -0.29 0.04 0.00 0.50 0.00 0.00 46.19 46.33 1us8 s LEU 819 CO 0.00 -0.12 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.16 1us8 s ILE 820 N 1.22 2.28 -0.62 6.68 1.01 -1.26 -0.60 121.20 129.92 1us8 s ILE 820 Ca -0.07 -1.28 -0.13 0.00 0.00 0.00 0.00 60.65 59.17 1us8 s ILE 820 Cb -0.13 -2.18 0.16 0.00 0.01 0.00 0.00 42.46 40.31 1us8 s ILE 820 CO -0.02 0.21 0.54 -0.76 0.00 0.00 0.00 174.94 174.91 1us8 s LEU 821 N 1.21 6.18 -1.14 2.97 1.02 0.49 -4.98 118.68 124.44 1us8 s LEU 821 Ca -0.02 -2.17 -0.16 0.00 0.02 0.00 0.00 54.13 51.80 1us8 s LEU 821 Cb -0.17 -2.14 0.14 0.00 0.02 0.00 0.00 46.19 44.04 1us8 s LEU 821 CO -0.08 -0.70 1.40 -0.62 0.02 0.00 0.00 176.35 176.37 1us8 s ASP 822 N 2.75 6.88 -1.36 2.29 2.15 -1.26 -1.24 116.67 126.89 1us8 s ASP 822 Ca 0.09 -2.56 -0.13 0.00 0.43 0.00 0.00 52.55 50.38 1us8 s ASP 822 Cb -0.23 -2.44 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1us8 s ASP 822 CO -0.02 -0.94 0.40 1.21 -0.17 0.00 0.00 175.17 175.65 1us8 n GLU 823 N 6.51 -1.34 0.25 4.34 4.07 -0.89 -4.84 120.64 128.73 1us8 n GLU 823 Ca 0.35 0.21 0.12 0.00 -0.06 0.00 0.00 57.16 57.78 1us8 n GLU 823 Cb 0.45 -3.58 0.66 0.00 -0.06 0.00 0.00 31.44 28.91 1us8 n GLU 823 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1us8 h PRO 824 N -2.06 0.00 -2.04 5.31 0.13 -1.84 -3.33 132.00 128.17 1us8 h PRO 824 Ca -0.67 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 63.90 1us8 h PRO 824 Cb 1.39 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.12 1us8 h PRO 824 CO 0.60 0.15 -1.02 0.25 -0.23 0.00 0.00 178.00 177.75 1us8 n THR 825 N -3.55 -0.04 -0.15 1.56 -2.24 -1.26 -4.98 114.28 103.62 1us8 n THR 825 Ca -0.01 -4.31 0.10 0.00 -2.27 0.00 0.00 64.05 57.56 1us8 n THR 825 Cb 0.29 -1.79 0.43 0.00 -2.10 0.00 0.00 70.33 67.16 1us8 n THR 825 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1us8 h PRO 826 N 3.90 0.56 -6.17 -0.78 0.13 -1.97 -3.40 132.00 124.27 1us8 h PRO 826 Ca 0.10 -0.03 -0.58 0.00 -0.87 0.00 0.00 66.00 64.62 1us8 h PRO 826 Cb 0.84 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 1us8 h PRO 826 CO 0.54 0.37 0.84 -0.47 -0.23 0.00 0.00 178.00 179.05 1us8 s TYR 827 N -5.54 3.15 -0.18 1.56 6.14 -1.26 -4.99 117.35 116.23 1us8 s TYR 827 Ca -0.09 1.27 -0.03 0.00 0.64 0.00 0.00 57.07 58.86 1us8 s TYR 827 Cb 0.20 -3.46 0.06 0.00 0.42 0.00 0.00 41.96 39.17 1us8 s TYR 827 CO 0.76 -0.88 0.04 -0.51 0.64 0.00 0.00 175.55 175.60 1us8 s LEU 828 N 3.46 1.01 0.00 6.97 1.43 -1.26 -4.97 118.68 125.31 1us8 s LEU 828 Ca 0.47 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1us8 s LEU 828 Cb -0.16 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.52 1us8 s LEU 828 CO 0.11 -0.30 0.00 -0.90 0.23 0.00 0.00 176.35 175.50 1us8 n ASP 829 N 5.09 0.12 0.15 2.29 3.85 -1.26 -4.85 116.55 121.93 1us8 n ASP 829 Ca -0.08 -0.75 -0.14 0.00 -0.71 0.00 0.00 54.79 53.10 1us8 n ASP 829 Cb 0.48 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.17 1us8 n ASP 829 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1us8 h GLU 830 N 0.00 -0.29 -0.29 0.11 4.81 -2.00 -1.62 114.58 115.30 1us8 h GLU 830 Ca 0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1us8 h GLU 830 Cb 0.00 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1us8 h GLU 830 CO 0.00 -0.20 0.17 0.93 -0.73 0.00 0.00 179.01 179.18 1us8 h GLU 831 N -0.30 0.39 -0.51 1.92 5.08 -1.99 -1.90 114.58 117.26 1us8 h GLU 831 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1us8 h GLU 831 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1us8 h GLU 831 CO 0.05 0.32 0.32 0.00 -1.00 0.00 0.00 179.01 178.69 1us8 h ARG 832 N 0.36 0.69 -0.42 2.33 3.08 -1.86 -1.86 114.38 116.68 1us8 h ARG 832 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1us8 h ARG 832 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1us8 h ARG 832 CO -0.02 0.49 0.21 -0.09 -1.07 0.00 0.00 179.97 179.49 1us8 h ARG 833 N 0.69 0.61 -0.78 0.04 2.43 -1.15 -0.76 114.38 115.45 1us8 h ARG 833 Ca 0.18 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1us8 h ARG 833 Cb -0.03 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1us8 h ARG 833 CO -0.04 0.52 0.31 0.00 -1.51 0.00 0.00 179.97 179.25 1us8 h ARG 834 N 0.54 1.17 -0.31 0.20 3.08 -1.21 -0.64 114.38 117.22 1us8 h ARG 834 Ca 0.15 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1us8 h ARG 834 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1us8 h ARG 834 CO -0.02 0.94 0.04 -0.22 -1.07 0.00 0.00 179.97 179.64 1us8 h LYS 835 N 1.14 0.52 -0.58 0.04 1.63 -1.04 -0.77 116.57 117.51 1us8 h LYS 835 Ca 0.26 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1us8 h LYS 835 Cb 0.21 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1us8 h LYS 835 CO -0.02 0.63 0.33 1.25 -3.45 0.00 0.00 179.45 178.19 1us8 h LEU 836 N 0.34 0.71 -0.85 5.20 5.85 -0.86 0.50 115.31 126.20 1us8 h LEU 836 Ca 0.09 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1us8 h LEU 836 Cb 0.37 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1us8 h LEU 836 CO 0.01 0.58 0.39 0.40 -0.34 0.00 0.00 178.44 179.48 1us8 h ILE 837 N 0.78 1.26 -0.25 4.05 2.04 -1.00 0.14 117.51 124.54 1us8 h ILE 837 Ca 0.21 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1us8 h ILE 837 Cb 0.02 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1us8 h ILE 837 CO -0.04 0.32 0.12 0.74 0.00 0.00 0.00 178.15 179.29 1us8 h THR 838 N 1.21 1.15 -0.77 -0.27 2.02 -0.54 -1.89 112.91 113.81 1us8 h THR 838 Ca 0.29 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1us8 h THR 838 Cb 0.14 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1us8 h THR 838 CO -0.03 0.15 0.44 0.40 0.37 0.00 0.00 175.52 176.84 1us8 h ILE 839 N 0.27 1.22 0.53 3.11 2.04 -0.56 -2.08 117.51 122.04 1us8 h ILE 839 Ca 0.08 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1us8 h ILE 839 Cb 0.13 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1us8 h ILE 839 CO -0.01 0.25 -0.25 0.24 0.00 0.00 0.00 178.15 178.37 1us8 h MET 840 N 1.07 -0.68 0.00 2.37 2.86 -0.64 -0.67 114.93 119.24 1us8 h MET 840 Ca 0.27 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1us8 h MET 840 Cb 0.00 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1us8 h MET 840 CO -0.05 -0.40 0.00 0.93 1.06 0.00 0.00 176.91 178.46 1us8 h GLU 841 N -0.85 0.00 0.00 1.72 5.08 -1.32 -1.99 114.58 117.22 1us8 h GLU 841 Ca -0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1us8 h GLU 841 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1us8 h GLU 841 CO 0.12 0.00 -1.84 2.89 -1.00 0.00 0.00 179.01 179.18 1us8 n ARG 842 N -3.08 1.02 0.05 2.33 1.85 -0.79 -4.72 116.66 113.32 1us8 n ARG 842 Ca 0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1us8 n ARG 842 Cb 0.37 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1us8 n ARG 842 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1us8 n TYR 843 N -2.27 -0.15 0.15 2.89 4.19 -0.37 -4.79 117.16 116.80 1us8 n TYR 843 Ca -0.12 0.03 0.17 0.00 3.31 0.00 0.00 57.90 61.28 1us8 n TYR 843 Cb 0.67 0.04 0.76 0.00 0.49 0.00 0.00 39.34 41.30 1us8 n TYR 843 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1us8 h LEU 844 N 0.00 0.00 0.00 2.98 3.38 -1.17 0.21 115.31 120.70 1us8 h LEU 844 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1us8 h LEU 844 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1us8 h LEU 844 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1us8 n LYS 845 N -4.03 0.40 0.00 1.13 5.02 -0.76 -1.85 118.16 118.07 1us8 n LYS 845 Ca 0.04 0.07 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 1us8 n LYS 845 Cb 0.39 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.12 1us8 n LYS 845 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1us8 n LYS 846 N -1.19 0.24 -3.16 1.97 5.02 0.72 -4.88 118.16 116.88 1us8 n LYS 846 Ca 0.11 -0.15 -0.39 0.00 -2.02 0.00 0.00 58.31 55.86 1us8 n LYS 846 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1us8 n LYS 846 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1us8 s ILE 847 N -2.87 4.77 0.22 -0.18 -1.09 -0.77 -4.98 121.20 116.29 1us8 s ILE 847 Ca 0.14 1.36 -0.14 0.00 -2.23 0.00 0.00 60.65 59.78 1us8 s ILE 847 Cb 0.18 -3.98 0.25 0.00 -1.58 0.00 0.00 42.46 37.33 1us8 s ILE 847 CO 0.68 0.46 1.61 -0.65 -1.23 0.00 0.00 174.94 175.81 1us8 h PRO 848 N 5.19 -0.02 -3.08 2.79 0.11 -1.79 -3.41 132.00 131.80 1us8 h PRO 848 Ca -0.46 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 1us8 h PRO 848 Cb 1.21 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.01 1us8 h PRO 848 CO 0.68 -0.01 -0.53 -1.14 -0.21 0.00 0.00 178.00 176.79 1us8 s GLN 849 N -6.21 0.16 -0.07 1.05 0.74 -0.76 -5.05 119.66 109.52 1us8 s GLN 849 Ca -0.14 0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.79 1us8 s GLN 849 Cb 0.20 -0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.18 1us8 s GLN 849 CO 0.74 -0.18 -0.11 0.08 -0.55 0.00 0.00 175.29 175.27 1us8 s VAL 850 N 1.38 1.05 -0.27 1.34 1.01 -1.26 -1.66 120.40 121.99 1us8 s VAL 850 Ca -0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1us8 s VAL 850 Cb -0.11 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1us8 s VAL 850 CO -0.08 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 174.70 1us8 s ILE 851 N 0.75 3.01 -0.20 2.22 1.01 0.23 -4.98 121.20 123.23 1us8 s ILE 851 Ca -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.40 1us8 s ILE 851 Cb -0.15 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 1us8 s ILE 851 CO 0.03 0.10 -0.09 -0.22 0.00 0.00 0.00 174.94 174.77 1us8 s LEU 852 N 1.32 2.70 -0.21 2.97 0.20 -1.26 -0.38 118.68 124.02 1us8 s LEU 852 Ca -0.01 -0.45 -0.06 0.00 0.69 0.00 0.00 54.13 54.30 1us8 s LEU 852 Cb -0.18 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1us8 s LEU 852 CO -0.03 -0.00 0.03 -0.69 -0.29 0.00 0.00 176.35 175.37 1us8 s VAL 853 N 1.35 4.22 0.26 1.68 1.01 -0.37 -5.00 120.40 123.56 1us8 s VAL 853 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 1us8 s VAL 853 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1us8 s VAL 853 CO -0.05 0.41 0.54 -0.55 0.00 0.00 0.00 175.10 175.44 1us8 s SER 854 N 1.07 -0.09 0.00 3.32 0.15 -1.26 -2.08 113.70 114.81 1us8 s SER 854 Ca 0.03 -0.89 0.11 0.00 0.70 0.00 0.00 55.95 55.90 1us8 s SER 854 Cb -0.14 0.63 0.17 0.00 -1.71 0.00 0.00 66.02 64.97 1us8 s SER 854 CO 0.02 -1.21 1.01 0.00 1.20 0.00 0.00 173.24 174.26 1us8 n HIS 855 N -0.41 0.18 -3.35 3.44 1.44 -1.26 -4.94 115.22 110.32 1us8 n HIS 855 Ca -0.02 -0.20 -0.43 0.00 -2.01 0.00 0.00 57.72 55.05 1us8 n HIS 855 Cb 0.61 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.63 1us8 n HIS 855 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1us8 s ASP 856 N -0.95 6.17 0.36 4.39 2.15 -1.26 -4.95 116.67 122.57 1us8 s ASP 856 Ca 0.17 -0.94 0.05 0.00 0.43 0.00 0.00 52.55 52.26 1us8 s ASP 856 Cb 0.10 -2.21 0.72 0.00 -0.30 0.00 0.00 42.92 41.24 1us8 s ASP 856 CO 0.14 -0.61 1.96 -0.33 -0.17 0.00 0.00 175.17 176.16 1us8 h GLU 857 N 8.75 0.76 -0.06 4.34 4.39 -2.05 -2.76 114.58 127.95 1us8 h GLU 857 Ca -0.27 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1us8 h GLU 857 Cb 1.11 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1us8 h GLU 857 CO 0.83 0.50 0.10 0.93 -1.16 0.00 0.00 179.01 180.21 1us8 h GLU 858 N 0.78 0.00 0.00 2.33 3.07 -2.03 -2.00 114.58 116.72 1us8 h GLU 858 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1us8 h GLU 858 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1us8 h GLU 858 CO -0.10 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.79 1us8 n LEU 859 N -3.57 0.41 0.06 1.33 4.77 -1.04 -3.67 117.00 115.30 1us8 n LEU 859 Ca -0.01 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1us8 n LEU 859 Cb 0.19 -0.51 0.59 0.00 -2.33 0.00 0.00 43.42 41.36 1us8 n LEU 859 CO 0.24 -0.35 1.14 0.07 -1.33 0.00 0.00 177.39 177.17 1us8 h LYS 860 N 0.00 0.18 0.00 3.23 2.10 -1.56 -2.02 116.57 118.50 1us8 h LYS 860 Ca 0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1us8 h LYS 860 Cb 0.40 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1us8 h LYS 860 CO 0.00 0.12 -0.14 -0.44 -2.00 0.00 0.00 179.45 176.99 1us8 h ASP 861 N 0.19 0.00 -0.59 7.07 3.32 -1.82 -2.71 116.42 121.88 1us8 h ASP 861 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1us8 h ASP 861 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1us8 h ASP 861 CO -0.03 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 1us8 n ALA 862 N -2.21 3.05 -2.61 3.45 0.00 -0.76 -4.94 120.51 116.50 1us8 n ALA 862 Ca -0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 53.44 51.78 1us8 n ALA 862 Cb 0.34 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1us8 n ALA 862 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1us8 s ALA 863 N -1.83 3.32 -0.14 0.00 0.00 -1.02 -4.48 121.76 117.62 1us8 s ALA 863 Ca 0.46 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1us8 s ALA 863 Cb 0.30 -0.78 -0.24 0.00 0.00 0.00 0.00 23.12 22.41 1us8 s ALA 863 CO 0.22 0.17 0.30 -0.25 0.00 0.00 0.00 175.76 176.20 1us8 n ASP 864 N -1.01 1.68 -3.92 0.00 8.00 -1.26 -4.93 116.55 115.11 1us8 n ASP 864 Ca -0.05 0.17 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 1us8 n ASP 864 Cb 0.60 -0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 41.08 1us8 n ASP 864 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1us8 s HIS 865 N -2.55 0.25 -0.00 1.24 3.76 -1.26 -4.96 115.29 111.76 1us8 s HIS 865 Ca -0.20 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1us8 s HIS 865 Cb 0.07 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.59 1us8 s HIS 865 CO 0.75 -0.01 -0.01 0.08 -0.85 0.00 0.00 174.74 174.71 1us8 s VAL 866 N -0.04 0.10 0.04 -0.90 1.01 -1.26 -4.93 120.40 114.42 1us8 s VAL 866 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1us8 s VAL 866 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1us8 s VAL 866 CO -0.00 0.04 -0.08 0.27 0.00 0.00 0.00 175.10 175.32 1us8 s ILE 867 N 0.06 0.58 -0.06 2.22 -4.36 -1.26 -0.05 121.20 118.33 1us8 s ILE 867 Ca -0.00 -1.10 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 1us8 s ILE 867 Cb -0.02 -0.65 -0.02 0.00 1.25 0.00 0.00 42.46 43.03 1us8 s ILE 867 CO -0.00 -0.37 -0.18 -0.60 0.24 0.00 0.00 174.94 174.03 1us8 s ARG 868 N -1.61 2.56 -0.04 0.37 3.52 0.77 -4.89 118.95 119.62 1us8 s ARG 868 Ca -0.09 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 54.81 1us8 s ARG 868 Cb -0.10 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 1us8 s ARG 868 CO 0.00 0.52 -0.24 0.42 -0.81 0.00 0.00 175.30 175.20 1us8 s ILE 869 N -0.49 1.97 0.10 4.11 1.01 -1.26 -0.47 121.20 126.17 1us8 s ILE 869 Ca 0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 1us8 s ILE 869 Cb -0.12 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.72 1us8 s ILE 869 CO 0.01 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 174.89 1us8 s SER 870 N -0.31 -0.12 -0.22 3.58 1.04 -0.71 -4.95 113.70 112.00 1us8 s SER 870 Ca 0.02 -0.39 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 1us8 s SER 870 Cb -0.12 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1us8 s SER 870 CO 0.02 -0.78 0.79 -0.22 0.98 0.00 0.00 173.24 174.02 1us8 s LEU 871 N -2.71 4.10 -0.16 2.42 2.96 -1.26 0.34 118.68 124.37 1us8 s LEU 871 Ca 0.02 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 1us8 s LEU 871 Cb 0.02 -3.13 0.04 0.00 0.50 0.00 0.00 46.19 43.62 1us8 s LEU 871 CO -0.10 -0.45 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.77 1us8 s GLU 872 N 2.57 1.80 -1.47 1.98 0.41 0.12 -4.75 118.70 119.35 1us8 s GLU 872 Ca 0.34 -0.58 -0.11 0.00 -0.41 0.00 0.00 54.97 54.21 1us8 s GLU 872 Cb -0.16 -2.09 0.06 0.00 -1.78 0.00 0.00 34.13 30.17 1us8 s GLU 872 CO 0.09 -0.37 0.94 -1.71 -0.49 0.00 0.00 175.26 173.72 1us8 n ASN 873 N 4.81 -4.18 0.00 -0.19 4.05 -1.26 -1.97 115.26 116.52 1us8 n ASN 873 Ca -0.14 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.12 1us8 n ASN 873 Cb 0.48 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.48 1us8 n ASN 873 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1us8 n GLY 874 N -1.69 0.89 3.06 8.20 0.00 -1.26 -5.03 105.19 109.36 1us8 n GLY 874 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1us8 n GLY 874 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1us8 s SER 875 N -2.89 0.91 0.26 1.61 0.01 -0.83 -5.10 113.70 107.67 1us8 s SER 875 Ca 0.00 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1us8 s SER 875 Cb 0.00 0.01 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 1us8 s SER 875 CO 0.00 -0.15 1.42 -0.44 0.41 0.00 0.00 173.24 174.48 1us8 s SER 876 N -1.38 6.68 -0.06 2.44 0.01 -1.26 0.12 113.70 120.25 1us8 s SER 876 Ca -0.07 2.65 0.03 0.00 1.31 0.00 0.00 55.95 59.87 1us8 s SER 876 Cb -0.09 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1us8 s SER 876 CO 0.00 -0.67 -0.16 -0.75 0.41 0.00 0.00 173.24 172.08 1us8 s LYS 877 N -0.54 1.90 -0.17 12.44 2.20 0.15 -4.86 119.74 130.85 1us8 s LYS 877 Ca 0.58 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 55.55 1us8 s LYS 877 Cb -0.41 -1.57 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 1us8 s LYS 877 CO 0.44 0.14 0.13 0.08 -0.36 0.00 0.00 175.35 175.78 1us8 s VAL 878 N 0.35 5.44 -0.14 4.02 1.01 -1.26 -1.74 120.40 128.10 1us8 s VAL 878 Ca -0.11 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1us8 s VAL 878 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1us8 s VAL 878 CO 0.04 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 174.82 1us8 s GLU 879 N -0.23 2.17 -0.17 2.72 2.12 0.38 -4.98 118.70 120.71 1us8 s GLU 879 Ca 0.11 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1us8 s GLU 879 Cb -0.11 -1.99 -0.00 0.00 0.26 0.00 0.00 34.13 32.29 1us8 s GLU 879 CO 0.01 -0.21 1.02 0.08 -0.54 0.00 0.00 175.26 175.62 1us8 s VAL 880 N 1.43 4.73 -0.21 3.70 1.01 -1.26 -0.17 120.40 129.63 1us8 s VAL 880 Ca 0.03 2.03 0.15 0.00 0.00 0.00 0.00 61.98 64.18 1us8 s VAL 880 Cb -0.13 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.71 1us8 s VAL 880 CO -0.09 -0.09 0.01 0.52 0.00 0.00 0.00 175.10 175.46 1us8 n VAL 881 N 4.96 1.37 -1.75 2.92 0.31 0.93 -4.95 118.33 122.12 1us8 n VAL 881 Ca 0.10 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1us8 n VAL 881 Cb 0.47 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1us8 n VAL 881 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31