#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wug s SER 716 N 0.00 3.58 0.59 1.61 0.01 -1.26 -5.00 113.70 113.23 1wug s SER 716 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1wug s SER 716 Cb 0.00 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1wug s SER 716 CO 0.00 -0.24 0.00 1.57 0.41 0.00 0.00 173.24 174.98 1wug n HIS 717 N 4.75 -3.64 -3.60 2.43 -0.00 -1.26 -4.73 115.22 109.17 1wug n HIS 717 Ca -0.12 2.02 -0.27 0.00 -0.00 0.00 0.00 57.72 59.35 1wug n HIS 717 Cb 0.45 -3.31 0.00 0.00 -0.00 0.00 0.00 29.99 27.13 1wug n HIS 717 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1wug n MET 718 N -4.26 -4.01 0.03 1.57 0.00 -1.26 -4.85 117.12 104.34 1wug n MET 718 Ca -0.09 0.52 -0.19 0.00 0.00 0.00 0.00 57.70 57.95 1wug n MET 718 Cb 0.64 -5.30 -0.13 0.00 0.00 0.00 0.00 33.22 28.44 1wug n MET 718 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1wug h SER 719 N -1.36 0.53 -0.25 7.83 0.02 -1.95 -3.41 113.55 114.97 1wug h SER 719 Ca -0.50 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 59.57 1wug h SER 719 Cb 1.33 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1wug h SER 719 CO 0.61 1.33 0.18 1.17 -1.14 0.00 0.00 176.83 178.98 1wug n LYS 720 N -4.14 0.41 -3.58 3.45 3.00 -1.26 -4.75 118.16 111.28 1wug n LYS 720 Ca -0.12 -0.95 0.01 0.00 -0.00 0.00 0.00 58.31 57.25 1wug n LYS 720 Cb 0.77 -3.49 -0.06 0.00 0.00 0.00 0.00 35.03 32.25 1wug n LYS 720 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1wug s GLU 721 N 8.63 0.15 0.08 1.64 2.12 0.06 -4.69 118.70 126.68 1wug s GLU 721 Ca 0.92 0.27 -0.16 0.00 0.36 0.00 0.00 54.97 56.36 1wug s GLU 721 Cb -0.17 0.06 -0.14 0.00 0.26 0.00 0.00 34.13 34.14 1wug s GLU 721 CO 0.14 -0.03 1.31 -1.00 -0.54 0.00 0.00 175.26 175.14 1wug h PRO 722 N 5.71 0.64 0.00 4.30 0.13 -1.81 -3.46 132.00 137.52 1wug h PRO 722 Ca -0.25 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1wug h PRO 722 Cb 1.16 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wug h PRO 722 CO 0.20 1.07 0.00 0.54 -0.23 0.00 0.00 178.00 179.58 1wug n ARG 723 N -4.19 0.00 -1.68 0.86 5.12 -1.26 -4.66 116.66 110.85 1wug n ARG 723 Ca -0.06 0.00 -0.52 0.00 -1.93 0.00 0.00 57.85 55.34 1wug n ARG 723 Cb 0.58 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.82 1wug n ARG 723 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wug n ASP 724 N 1.97 2.76 0.02 0.55 9.92 -1.26 -4.80 116.55 125.71 1wug n ASP 724 Ca 0.00 1.04 0.06 0.00 -0.53 0.00 0.00 54.79 55.37 1wug n ASP 724 Cb 0.00 -1.26 0.28 0.00 -0.64 0.00 0.00 41.12 39.50 1wug n ASP 724 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1wug n PRO 725 N 5.23 0.02 0.00 -0.24 -0.04 -1.26 -2.09 135.00 136.63 1wug n PRO 725 Ca 0.23 0.31 -0.15 0.00 -0.04 0.00 0.00 63.50 63.86 1wug n PRO 725 Cb 0.22 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 1wug n PRO 725 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wug h ASP 726 N 0.00 0.22 -0.23 3.54 3.58 -1.94 -3.18 116.42 118.41 1wug h ASP 726 Ca 0.00 -0.45 -0.13 0.00 0.42 0.00 0.00 57.03 56.87 1wug h ASP 726 Cb 0.22 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1wug h ASP 726 CO 0.00 1.40 -0.36 1.56 -2.88 0.00 0.00 179.24 178.96 1wug h GLN 727 N 0.04 0.65 -0.29 0.28 1.08 -1.77 -3.12 115.11 111.98 1wug h GLN 727 Ca -0.33 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 56.44 1wug h GLN 727 Cb 2.02 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.47 1wug h GLN 727 CO 0.10 1.01 -0.01 1.25 -0.95 0.00 0.00 178.83 180.22 1wug h LEU 728 N 0.35 0.42 -0.70 1.46 5.85 -1.57 -0.22 115.31 120.90 1wug h LEU 728 Ca 0.02 -0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1wug h LEU 728 Cb 0.95 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1wug h LEU 728 CO 0.08 0.50 0.18 0.22 -0.34 0.00 0.00 178.44 179.08 1wug h TYR 729 N 0.43 0.29 0.16 1.25 3.20 -1.51 0.32 116.97 121.11 1wug h TYR 729 Ca 0.09 0.04 -0.32 0.00 3.14 0.00 0.00 58.73 61.68 1wug h TYR 729 Cb 0.31 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.57 1wug h TYR 729 CO 0.01 -0.05 -1.59 0.66 -1.64 0.00 0.00 178.16 175.55 1wug h SER 730 N 0.29 0.54 -0.97 -2.11 4.64 -1.58 -2.41 113.55 111.95 1wug h SER 730 Ca 0.39 -0.91 0.19 0.00 -0.47 0.00 0.00 61.79 60.98 1wug h SER 730 Cb 0.63 -0.18 -0.09 0.00 -0.31 0.00 0.00 62.40 62.45 1wug h SER 730 CO -0.47 1.72 0.61 0.74 -0.87 0.00 0.00 176.83 178.56 1wug h THR 731 N -0.05 0.72 -0.05 2.95 2.02 -0.55 0.35 112.91 118.31 1wug h THR 731 Ca -0.32 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 1wug h THR 731 Cb 1.97 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1wug h THR 731 CO 0.14 0.12 -0.48 -0.07 0.37 0.00 0.00 175.52 175.61 1wug h LEU 732 N 0.68 0.50 -0.02 2.58 3.38 -0.47 -3.13 115.31 118.83 1wug h LEU 732 Ca 0.53 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1wug h LEU 732 Cb 0.94 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1wug h LEU 732 CO -0.30 1.12 -0.37 0.50 0.09 0.00 0.00 178.44 179.48 1wug h LYS 733 N -0.08 -0.50 -0.63 1.13 3.64 -0.23 -1.19 116.57 118.72 1wug h LYS 733 Ca -0.05 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 1wug h LYS 733 Cb 1.15 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 1wug h LYS 733 CO 0.10 -0.33 0.11 0.77 -2.27 0.00 0.00 179.45 177.82 1wug h SER 734 N -0.52 -0.06 0.91 4.20 0.02 -0.53 0.17 113.55 117.76 1wug h SER 734 Ca 0.06 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1wug h SER 734 Cb 0.61 0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.34 1wug h SER 734 CO -0.31 -0.03 -0.48 0.40 -1.14 0.00 0.00 176.83 175.28 1wug h ILE 735 N 0.23 0.00 -0.85 3.27 2.04 -1.31 0.19 117.51 121.07 1wug h ILE 735 Ca 0.34 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.37 1wug h ILE 735 Cb 0.53 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1wug h ILE 735 CO -0.45 0.00 0.56 0.25 0.00 0.00 0.00 178.15 178.51 1wug h LEU 736 N -1.27 0.45 -0.30 1.44 7.12 -0.83 0.24 115.31 122.15 1wug h LEU 736 Ca -0.12 0.04 -0.10 0.00 0.13 0.00 0.00 57.88 57.82 1wug h LEU 736 Cb 0.99 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 1wug h LEU 736 CO 0.18 0.21 -0.21 1.56 -0.13 0.00 0.00 178.44 180.05 1wug h GLN 737 N 0.46 0.66 -0.08 1.25 1.08 -0.17 -2.24 115.11 116.08 1wug h GLN 737 Ca 0.43 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1wug h GLN 737 Cb 0.97 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1wug h GLN 737 CO -0.16 0.92 -0.08 1.96 -0.95 0.00 0.00 178.83 180.52 1wug h GLN 738 N 0.41 0.19 -0.62 1.46 4.20 0.11 -2.51 115.11 118.35 1wug h GLN 738 Ca 0.06 -0.10 0.12 0.00 0.06 0.00 0.00 58.65 58.78 1wug h GLN 738 Cb 0.75 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.45 1wug h GLN 738 CO 0.06 0.62 0.15 0.28 -0.67 0.00 0.00 178.83 179.26 1wug h VAL 739 N -0.22 0.64 -0.06 -0.54 2.07 -0.65 0.77 116.25 118.25 1wug h VAL 739 Ca 0.01 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1wug h VAL 739 Cb 0.58 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1wug h VAL 739 CO 0.02 0.05 -0.09 0.50 0.02 0.00 0.00 177.57 178.07 1wug h LYS 740 N 0.28 -0.12 0.00 1.57 3.64 -1.35 -1.19 116.57 119.40 1wug h LYS 740 Ca 0.33 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1wug h LYS 740 Cb 0.49 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1wug h LYS 740 CO -0.40 -0.08 -0.19 1.03 -2.27 0.00 0.00 179.45 177.54 1wug h SER 741 N -0.13 0.00 -2.27 4.20 0.87 -0.73 -3.43 113.55 112.06 1wug h SER 741 Ca 0.06 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.23 1wug h SER 741 Cb 0.20 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 62.37 1wug h SER 741 CO -0.14 0.19 -0.77 1.57 -0.53 0.00 0.00 176.83 177.16 1wug n HIS 742 N -3.59 -1.87 0.28 2.24 -0.00 0.25 -4.90 115.22 107.64 1wug n HIS 742 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.83 1wug n HIS 742 Cb 0.33 -1.49 0.08 0.00 -0.00 0.00 0.00 29.99 28.90 1wug n HIS 742 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1wug h GLN 743 N -2.41 0.00 -0.90 1.57 -0.00 -1.86 -3.35 115.11 108.16 1wug h GLN 743 Ca -0.45 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 57.63 1wug h GLN 743 Cb 1.20 0.00 -0.29 0.00 0.00 0.00 0.00 27.48 28.38 1wug h GLN 743 CO 0.31 0.00 0.51 0.43 0.00 0.00 0.00 178.83 180.08 1wug n SER 744 N -2.51 5.81 -0.00 -0.69 7.64 -1.26 -4.36 113.62 118.25 1wug n SER 744 Ca 0.02 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.16 1wug n SER 744 Cb 0.51 -0.83 -0.01 0.00 -1.01 0.00 0.00 64.21 62.87 1wug n SER 744 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wug n ALA 745 N -0.97 2.14 0.27 -0.43 0.00 -1.26 -4.58 120.51 115.69 1wug n ALA 745 Ca 0.57 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 54.09 1wug n ALA 745 Cb 1.00 -0.04 0.77 0.00 0.00 0.00 0.00 19.45 21.18 1wug n ALA 745 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1wug h TRP 746 N 0.01 0.00 -0.00 0.00 5.08 -1.84 -1.52 115.95 117.68 1wug h TRP 746 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1wug h TRP 746 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 1wug h TRP 746 CO 0.00 0.07 -0.09 -0.35 -1.28 0.00 0.00 178.44 176.79 1wug n PRO 747 N -3.88 0.29 -0.00 0.12 -0.05 -1.26 -3.74 135.00 126.47 1wug n PRO 747 Ca -0.02 -0.06 0.04 0.00 -0.05 0.00 0.00 63.50 63.41 1wug n PRO 747 Cb 0.16 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.06 1wug n PRO 747 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1wug n PHE 748 N -1.31 0.00 0.16 0.54 3.72 -0.62 -4.72 117.46 115.23 1wug n PHE 748 Ca 0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 1wug n PHE 748 Cb 0.30 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1wug n PHE 748 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1wug h MET 749 N 0.00 -0.47 -5.95 -1.08 2.86 -1.51 -2.41 114.93 106.36 1wug h MET 749 Ca 0.00 0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.11 1wug h MET 749 Cb 0.25 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1wug h MET 749 CO 0.00 -0.32 0.01 -2.00 1.06 0.00 0.00 176.91 175.66 1wug s GLU 750 N -4.30 4.40 0.10 1.72 2.12 -1.26 -3.30 118.70 118.18 1wug s GLU 750 Ca -0.08 0.74 -0.31 0.00 0.36 0.00 0.00 54.97 55.68 1wug s GLU 750 Cb 0.02 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 1wug s GLU 750 CO 0.27 0.13 1.66 -1.25 -0.54 0.00 0.00 175.26 175.53 1wug s PRO 751 N 0.63 4.19 0.71 4.30 0.04 -1.26 -4.94 135.00 138.67 1wug s PRO 751 Ca 0.33 2.37 -0.16 0.00 0.04 0.00 0.00 61.00 63.58 1wug s PRO 751 Cb -0.17 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1wug s PRO 751 CO 0.16 -0.72 0.64 0.28 0.04 0.00 0.00 177.00 177.39 1wug n VAL 752 N 4.57 2.07 -1.13 -0.36 0.31 -1.26 -4.95 118.33 117.58 1wug n VAL 752 Ca 0.16 -0.40 -0.30 0.00 -0.01 0.00 0.00 64.34 63.79 1wug n VAL 752 Cb 0.40 -0.82 0.22 0.00 -0.91 0.00 0.00 33.84 32.72 1wug n VAL 752 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1wug s LYS 753 N -2.85 -0.72 0.15 5.55 2.20 -1.26 -4.95 119.74 117.85 1wug s LYS 753 Ca 0.68 0.08 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 1wug s LYS 753 Cb -0.36 -1.64 -0.07 0.00 -1.51 0.00 0.00 37.83 34.26 1wug s LYS 753 CO 0.56 -3.41 1.33 0.00 -0.36 0.00 0.00 175.35 173.47 1wug h ARG 754 N -2.37 0.19 0.00 4.03 3.08 -1.97 -3.36 114.38 113.99 1wug h ARG 754 Ca -0.48 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.31 1wug h ARG 754 Cb 1.30 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1wug h ARG 754 CO 0.41 1.00 -1.53 2.41 -1.07 0.00 0.00 179.97 181.19 1wug n THR 755 N -3.61 0.10 0.26 2.04 -1.04 -1.26 -4.47 114.28 106.29 1wug n THR 755 Ca -0.04 -0.28 0.16 0.00 -2.04 0.00 0.00 64.05 61.86 1wug n THR 755 Cb 0.85 0.11 0.76 0.00 -1.82 0.00 0.00 70.33 70.23 1wug n THR 755 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1wug h GLU 756 N 0.00 0.00 -6.33 -2.82 4.81 -1.95 -3.41 114.58 104.88 1wug h GLU 756 Ca -0.04 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.73 1wug h GLU 756 Cb 0.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1wug h GLU 756 CO 0.00 0.00 -0.33 0.00 -0.73 0.00 0.00 179.01 177.95 1wug s ALA 757 N -4.25 3.87 0.28 2.92 0.00 -1.26 -4.96 121.76 118.36 1wug s ALA 757 Ca -0.03 -1.14 0.34 0.00 0.00 0.00 0.00 51.96 51.13 1wug s ALA 757 Cb 0.10 -1.87 1.57 0.00 0.00 0.00 0.00 23.12 22.93 1wug s ALA 757 CO 0.35 0.11 2.07 -1.00 0.00 0.00 0.00 175.76 177.28 1wug h PRO 758 N 0.98 0.00 0.00 0.00 0.13 -1.94 -3.41 132.00 127.77 1wug h PRO 758 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wug h PRO 758 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wug h PRO 758 CO 0.60 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 1wug n GLY 759 N -0.31 -1.98 0.09 1.56 0.00 -1.26 -5.03 105.19 98.25 1wug n GLY 759 Ca -0.01 0.94 0.11 0.00 0.00 0.00 0.00 46.02 47.06 1wug n GLY 759 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wug n TYR 760 N 0.00 0.73 1.40 1.61 9.36 -1.26 -3.04 117.16 125.97 1wug n TYR 760 Ca 0.00 0.22 0.03 0.00 3.32 0.00 0.00 57.90 61.46 1wug n TYR 760 Cb 0.00 -0.86 0.08 0.00 -0.63 0.00 0.00 39.34 37.93 1wug n TYR 760 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1wug n TYR 761 N -2.59 0.25 0.13 2.98 9.36 -1.26 -3.51 117.16 122.51 1wug n TYR 761 Ca -0.02 -0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1wug n TYR 761 Cb 0.58 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1wug n TYR 761 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1wug n GLU 762 N 0.02 0.00 0.31 2.98 1.02 -1.25 -4.82 120.64 118.90 1wug n GLU 762 Ca 0.06 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.39 1wug n GLU 762 Cb 0.16 -0.01 1.02 0.00 -0.02 0.00 0.00 31.44 32.59 1wug n GLU 762 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wug h VAL 763 N 0.00 0.11 -3.45 2.62 2.07 -1.75 -3.34 116.25 112.51 1wug h VAL 763 Ca 0.00 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.90 1wug h VAL 763 Cb 0.00 0.87 -0.40 0.00 -1.52 0.00 0.00 31.29 30.24 1wug h VAL 763 CO 0.00 0.00 -0.74 -0.63 0.02 0.00 0.00 177.57 176.22 1wug s ILE 764 N -4.24 1.59 -0.55 4.57 -1.09 -1.23 -4.83 121.20 115.42 1wug s ILE 764 Ca -0.04 -1.83 0.25 0.00 -2.23 0.00 0.00 60.65 56.80 1wug s ILE 764 Cb 0.12 -2.16 0.31 0.00 -1.58 0.00 0.00 42.46 39.15 1wug s ILE 764 CO 0.40 -0.59 1.72 -0.09 -1.23 0.00 0.00 174.94 175.15 1wug h ARG 765 N 7.85 0.00 -2.51 2.79 2.43 -1.83 -3.38 114.38 119.73 1wug h ARG 765 Ca -0.09 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.48 1wug h ARG 765 Cb 1.02 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.17 1wug h ARG 765 CO 0.49 0.00 -0.79 1.19 -1.51 0.00 0.00 179.97 179.35 1wug n PHE 766 N -2.62 1.46 -1.56 2.20 3.72 -1.26 -5.06 117.46 114.33 1wug n PHE 766 Ca 0.04 -3.85 -0.37 0.00 -0.05 0.00 0.00 57.45 53.22 1wug n PHE 766 Cb 0.44 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 1wug n PHE 766 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wug n PRO 767 N 1.92 1.19 -4.53 -1.08 -0.02 -1.26 -4.93 135.00 126.30 1wug n PRO 767 Ca 0.25 0.08 -0.26 0.00 -2.02 0.00 0.00 63.50 61.56 1wug n PRO 767 Cb 0.43 -3.41 -0.17 0.00 -0.02 0.00 0.00 33.50 30.33 1wug n PRO 767 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1wug s MET 768 N 7.97 1.84 0.00 -0.52 1.75 -1.26 -5.12 119.30 123.96 1wug s MET 768 Ca 0.99 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.98 1wug s MET 768 Cb -0.20 -1.55 0.00 0.00 2.84 0.00 0.00 34.83 35.91 1wug s MET 768 CO 0.28 -0.01 0.00 -0.40 -0.65 0.00 0.00 175.02 174.24 1wug n ASP 769 N 3.98 0.79 0.05 1.11 5.75 -1.26 -4.14 116.55 122.84 1wug n ASP 769 Ca -0.21 -0.63 0.13 0.00 -0.01 0.00 0.00 54.79 54.08 1wug n ASP 769 Cb 0.51 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.11 1wug n ASP 769 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wug n LEU 770 N 0.00 0.41 0.14 -2.12 4.77 -0.91 -3.39 117.00 115.90 1wug n LEU 770 Ca 0.00 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1wug n LEU 770 Cb 0.00 -0.41 0.51 0.00 -2.33 0.00 0.00 43.42 41.19 1wug n LEU 770 CO 0.00 -0.10 0.85 1.17 -1.33 0.00 0.00 177.39 177.98 1wug n LYS 771 N -1.89 0.18 -0.03 3.23 4.81 -1.21 -3.20 118.16 120.06 1wug n LYS 771 Ca 0.06 0.48 -0.02 0.00 -0.87 0.00 0.00 58.31 57.96 1wug n LYS 771 Cb 0.38 -1.89 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 1wug n LYS 771 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1wug n THR 772 N -2.24 0.35 0.00 3.15 -2.24 -1.22 -4.50 114.28 107.58 1wug n THR 772 Ca 0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1wug n THR 772 Cb 0.18 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1wug n THR 772 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1wug n MET 773 N -2.15 0.00 -0.20 -0.78 2.81 -1.19 -0.49 117.12 115.11 1wug n MET 773 Ca -0.08 0.37 0.01 0.00 -1.81 0.00 0.00 57.70 56.19 1wug n MET 773 Cb 0.62 -1.19 0.11 0.00 -0.71 0.00 0.00 33.22 32.05 1wug n MET 773 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wug h SER 774 N 0.00 -0.11 -0.71 7.83 0.87 -1.88 0.12 113.55 119.67 1wug h SER 774 Ca 0.00 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.83 1wug h SER 774 Cb 0.00 0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 62.07 1wug h SER 774 CO 0.00 -0.05 0.23 -0.33 -0.53 0.00 0.00 176.83 176.15 1wug h GLU 775 N 0.19 0.35 -0.26 2.24 4.39 -1.76 0.40 114.58 120.14 1wug h GLU 775 Ca 0.32 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.83 1wug h GLU 775 Cb 0.51 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wug h GLU 775 CO -0.46 0.23 -0.53 0.00 -1.16 0.00 0.00 179.01 177.09 1wug h ARG 776 N 0.36 0.75 -0.33 2.33 -0.00 0.83 -2.98 114.38 115.35 1wug h ARG 776 Ca 0.38 -0.46 -0.04 0.00 -0.50 0.00 0.00 59.98 59.36 1wug h ARG 776 Cb 0.59 0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.59 1wug h ARG 776 CO -0.42 1.09 0.05 1.25 0.00 0.00 0.00 179.97 181.94 1wug h LEU 777 N 0.58 0.45 -1.00 3.04 6.46 0.11 0.12 115.31 125.06 1wug h LEU 777 Ca 0.02 -0.07 0.24 0.00 -0.12 0.00 0.00 57.88 57.95 1wug h LEU 777 Cb 1.11 -0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 40.80 1wug h LEU 777 CO 0.11 0.48 0.59 0.11 -0.62 0.00 0.00 178.44 179.11 1wug h LYS 778 N 0.48 0.58 -1.62 1.25 1.79 -0.12 0.25 116.57 119.18 1wug h LYS 778 Ca 0.11 -0.03 -0.70 0.00 -2.18 0.00 0.00 60.65 57.85 1wug h LYS 778 Cb 0.23 -0.13 -0.32 0.00 -1.58 0.00 0.00 32.23 30.44 1wug h LYS 778 CO 0.00 0.38 0.51 0.09 -1.08 0.00 0.00 179.45 179.35 1wug n ASN 779 N -4.88 6.77 -2.44 0.86 3.02 -0.75 -4.89 115.26 112.96 1wug n ASN 779 Ca 0.26 -3.80 -0.12 0.00 -0.03 0.00 0.00 54.58 50.90 1wug n ASN 779 Cb 0.73 -0.87 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 1wug n ASN 779 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1wug n ARG 780 N -0.61 -1.53 0.27 3.52 -4.01 0.89 -4.71 116.66 110.48 1wug n ARG 780 Ca 0.52 0.04 0.15 0.00 -1.04 0.00 0.00 57.85 57.52 1wug n ARG 780 Cb 0.46 -2.69 0.65 0.00 -3.04 0.00 0.00 32.46 27.84 1wug n ARG 780 CO 0.00 0.00 0.00 -0.92 -3.04 0.00 0.00 177.63 173.67 1wug h TYR 781 N -0.24 0.00 -3.65 2.89 3.20 -0.98 -3.38 116.97 114.80 1wug h TYR 781 Ca -0.17 0.00 -0.68 0.00 3.14 0.00 0.00 58.73 61.02 1wug h TYR 781 Cb 0.69 0.00 -0.35 0.00 1.54 0.00 0.00 36.73 38.62 1wug h TYR 781 CO 0.47 0.07 -0.65 0.71 -1.64 0.00 0.00 178.16 177.12 1wug s TYR 782 N -3.72 3.46 -0.35 -3.82 2.02 -1.26 -4.95 117.35 108.73 1wug s TYR 782 Ca 0.00 -2.24 0.15 0.00 -0.37 0.00 0.00 57.07 54.61 1wug s TYR 782 Cb 0.10 -2.64 0.41 0.00 -0.40 0.00 0.00 41.96 39.44 1wug s TYR 782 CO 0.57 -0.89 0.90 1.55 -1.57 0.00 0.00 175.55 176.11 1wug n VAL 783 N 4.56 0.52 -3.64 0.71 3.14 -1.26 -4.75 118.33 117.60 1wug n VAL 783 Ca -0.07 -3.45 -0.11 0.00 -2.96 0.00 0.00 64.34 57.75 1wug n VAL 783 Cb 0.42 0.39 -0.05 0.00 -1.06 0.00 0.00 33.84 33.55 1wug n VAL 783 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1wug s SER 784 N -2.73 -0.26 0.00 6.55 0.01 -1.26 -4.92 113.70 111.08 1wug s SER 784 Ca 0.31 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wug s SER 784 Cb 0.41 0.46 0.00 0.00 0.21 0.00 0.00 66.02 67.10 1wug s SER 784 CO -0.01 -0.78 0.40 0.29 0.41 0.00 0.00 173.24 173.55 1wug n LYS 785 N 0.06 0.00 0.17 12.44 5.02 -1.26 -2.53 118.16 132.06 1wug n LYS 785 Ca -0.17 0.05 0.18 0.00 -2.02 0.00 0.00 58.31 56.36 1wug n LYS 785 Cb 0.62 -0.91 0.75 0.00 -0.02 0.00 0.00 35.03 35.47 1wug n LYS 785 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1wug h LYS 786 N 0.00 0.00 0.16 1.97 3.64 -1.93 -1.76 116.57 118.65 1wug h LYS 786 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1wug h LYS 786 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1wug h LYS 786 CO 0.00 0.00 -0.08 1.25 -2.27 0.00 0.00 179.45 178.35 1wug h LEU 787 N 0.00 -0.19 -0.33 5.20 5.85 -1.97 -0.98 115.31 122.89 1wug h LEU 787 Ca 0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1wug h LEU 787 Cb 0.98 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1wug h LEU 787 CO -0.00 -0.11 0.17 0.15 -0.34 0.00 0.00 178.44 178.31 1wug h PHE 788 N -0.27 0.47 -0.03 1.25 3.57 -1.24 -2.52 116.94 118.17 1wug h PHE 788 Ca -0.02 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1wug h PHE 788 Cb 0.17 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1wug h PHE 788 CO 0.14 0.40 -0.51 0.52 -2.23 0.00 0.00 178.31 176.63 1wug h MET 789 N 0.40 -0.61 -0.57 1.11 2.86 -1.42 -1.56 114.93 115.14 1wug h MET 789 Ca 0.11 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.91 1wug h MET 789 Cb 0.10 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 31.79 1wug h MET 789 CO -0.02 -0.41 -0.13 0.00 1.06 0.00 0.00 176.91 177.42 1wug h ALA 790 N -0.28 0.40 -0.33 6.32 0.00 -1.08 0.33 119.26 124.62 1wug h ALA 790 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wug h ALA 790 Cb 0.70 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wug h ALA 790 CO -0.37 -0.43 0.00 -0.25 0.00 0.00 0.00 179.25 178.21 1wug n ASP 791 N -5.38 0.00 -0.14 0.00 8.00 -0.65 0.16 116.55 118.53 1wug n ASP 791 Ca 0.06 0.94 -0.03 0.00 0.71 0.00 0.00 54.79 56.48 1wug n ASP 791 Cb 0.30 -0.44 0.05 0.00 -0.02 0.00 0.00 41.12 41.01 1wug n ASP 791 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1wug h LEU 792 N 0.00 -0.20 -2.12 0.64 6.46 -1.12 0.59 115.31 119.56 1wug h LEU 792 Ca 0.00 0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.95 1wug h LEU 792 Cb 0.00 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1wug h LEU 792 CO 0.00 -0.06 0.25 -0.61 -0.62 0.00 0.00 178.44 177.40 1wug h GLN 793 N 0.11 0.00 -0.12 1.25 4.15 0.02 0.32 115.11 120.84 1wug h GLN 793 Ca 0.23 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.49 1wug h GLN 793 Cb 0.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1wug h GLN 793 CO -0.39 0.00 -0.62 -0.09 -1.93 0.00 0.00 178.83 175.81 1wug h ARG 794 N 0.00 0.42 -0.21 1.69 2.43 0.71 -2.37 114.38 117.05 1wug h ARG 794 Ca 0.13 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1wug h ARG 794 Cb 0.63 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1wug h ARG 794 CO -0.00 0.91 0.07 0.28 -1.51 0.00 0.00 179.97 179.72 1wug h VAL 795 N 0.31 1.18 0.12 0.20 2.07 0.61 0.30 116.25 121.04 1wug h VAL 795 Ca -0.01 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1wug h VAL 795 Cb 1.16 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1wug h VAL 795 CO 0.11 0.18 -0.06 -0.26 0.02 0.00 0.00 177.57 177.56 1wug h PHE 796 N 0.17 -0.14 -0.81 1.57 0.04 -1.46 -1.11 116.94 115.20 1wug h PHE 796 Ca 0.07 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 1wug h PHE 796 Cb 0.21 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1wug h PHE 796 CO -0.00 0.20 0.42 0.00 -0.60 0.00 0.00 178.31 178.33 1wug h THR 797 N -0.51 1.25 0.03 -1.55 1.03 -1.44 -1.43 112.91 110.28 1wug h THR 797 Ca -0.02 -0.66 0.01 0.00 -0.01 0.00 0.00 66.41 65.74 1wug h THR 797 Cb 0.41 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 67.67 1wug h THR 797 CO 0.03 0.29 -0.05 -1.13 -0.01 0.00 0.00 175.52 174.64 1wug h ASN 798 N 1.14 -0.14 -0.22 0.00 -0.73 -0.34 0.39 115.58 115.67 1wug h ASN 798 Ca 0.28 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.52 1wug h ASN 798 Cb 0.08 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 38.67 1wug h ASN 798 CO -0.04 -0.08 -0.12 0.00 -0.37 0.00 0.00 177.43 176.82 1wug h LYS 800 N -0.09 0.00 0.51 0.00 3.64 -0.92 -0.46 116.57 119.25 1wug h LYS 800 Ca 0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1wug h LYS 800 Cb 0.28 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1wug h LYS 800 CO -0.28 0.00 -0.25 1.49 -2.27 0.00 0.00 179.45 178.15 1wug h GLU 801 N 0.00 -0.66 0.01 1.90 4.57 0.28 -3.36 114.58 117.33 1wug h GLU 801 Ca -0.00 0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1wug h GLU 801 Cb 0.30 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1wug h GLU 801 CO 0.00 -0.41 -0.61 0.10 -1.18 0.00 0.00 179.01 176.91 1wug h TYR 802 N -1.15 0.59 -2.77 0.92 -0.00 -1.40 -3.43 116.97 109.73 1wug h TYR 802 Ca -0.07 -0.33 -0.57 0.00 0.00 0.00 0.00 58.73 57.76 1wug h TYR 802 Cb 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 36.73 37.19 1wug h TYR 802 CO 0.01 1.16 1.23 1.21 -0.00 0.00 0.00 178.16 181.76 1wug s ASN 803 N -6.76 6.03 1.00 0.10 3.04 -0.19 -4.97 114.94 113.20 1wug s ASN 803 Ca -0.13 1.30 -0.11 0.00 0.04 0.00 0.00 52.86 53.95 1wug s ASN 803 Cb 0.03 -2.53 0.19 0.00 -1.54 0.00 0.00 41.25 37.40 1wug s ASN 803 CO 0.82 -1.60 1.09 -2.16 -3.04 0.00 0.00 177.10 172.21 1wug s PRO 804 N 5.40 0.37 -0.53 0.43 0.04 -1.26 -4.63 135.00 134.81 1wug s PRO 804 Ca 0.76 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 1wug s PRO 804 Cb -0.22 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 1wug s PRO 804 CO 0.33 -2.95 1.73 -2.30 0.04 0.00 0.00 177.00 173.84 1wug n PRO 805 N -4.42 1.13 -1.97 0.56 -0.02 -1.26 -3.61 135.00 125.41 1wug n PRO 805 Ca 0.08 -1.27 -0.01 0.00 -2.02 0.00 0.00 63.50 60.27 1wug n PRO 805 Cb 0.53 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1wug n PRO 805 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wug n GLU 806 N 5.73 0.26 -3.96 -0.52 1.02 -1.26 -5.16 120.64 116.75 1wug n GLU 806 Ca 0.36 -0.37 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1wug n GLU 806 Cb 0.22 0.06 -0.06 0.00 -0.02 0.00 0.00 31.44 31.64 1wug n GLU 806 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wug s SER 807 N -0.22 -0.05 0.29 1.62 0.01 -1.24 -5.04 113.70 109.07 1wug s SER 807 Ca 0.02 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 56.47 1wug s SER 807 Cb 0.08 0.52 0.44 0.00 0.21 0.00 0.00 66.02 67.27 1wug s SER 807 CO -0.02 -1.02 1.70 -0.33 0.41 0.00 0.00 173.24 173.98 1wug h GLU 808 N 2.38 0.32 -0.54 12.44 4.39 -2.00 -3.10 114.58 128.46 1wug h GLU 808 Ca -0.29 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 59.36 1wug h GLU 808 Cb 1.24 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 1wug h GLU 808 CO 0.42 0.65 0.15 1.88 -1.16 0.00 0.00 179.01 180.94 1wug h TYR 809 N 0.27 0.26 -0.09 4.33 -1.99 -1.96 -1.47 116.97 116.32 1wug h TYR 809 Ca 0.03 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1wug h TYR 809 Cb 0.78 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 1wug h TYR 809 CO 0.02 0.04 0.02 -0.92 -0.00 0.00 0.00 178.16 177.32 1wug h TYR 810 N 0.31 0.14 0.00 4.88 5.03 -1.83 -1.58 116.97 123.93 1wug h TYR 810 Ca 0.27 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1wug h TYR 810 Cb 0.36 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1wug h TYR 810 CO -0.20 0.31 0.00 1.63 -1.32 0.00 0.00 178.16 178.58 1wug n LYS 811 N -4.89 0.00 -0.32 1.82 5.02 -0.75 -1.15 118.16 117.88 1wug n LYS 811 Ca -0.06 0.69 0.17 0.00 -2.02 0.00 0.00 58.31 57.09 1wug n LYS 811 Cb 0.14 -1.37 0.42 0.00 -0.02 0.00 0.00 35.03 34.20 1wug n LYS 811 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wug h ALA 813 N 1.64 1.07 -0.26 0.00 0.00 -0.18 0.26 119.26 121.78 1wug h ALA 813 Ca 0.56 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.35 1wug h ALA 813 Cb 1.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1wug h ALA 813 CO -0.32 0.08 -0.45 -0.97 0.00 0.00 0.00 179.25 177.59 1wug h ASN 814 N 0.75 0.70 0.63 0.00 -1.24 0.74 -1.76 115.58 115.41 1wug h ASN 814 Ca 0.36 -0.34 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1wug h ASN 814 Cb 0.29 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 39.15 1wug h ASN 814 CO -0.22 1.05 -0.30 0.40 -1.29 0.00 0.00 177.43 177.06 1wug h ILE 815 N 0.52 0.00 -0.41 2.57 2.04 -0.30 -1.91 117.51 120.02 1wug h ILE 815 Ca 0.03 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.65 1wug h ILE 815 Cb 0.99 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1wug h ILE 815 CO 0.09 0.00 0.04 0.25 0.00 0.00 0.00 178.15 178.54 1wug h LEU 816 N -1.17 -0.08 -1.10 1.44 6.46 -0.63 -0.16 115.31 120.07 1wug h LEU 816 Ca -0.09 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 57.91 1wug h LEU 816 Cb 0.65 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 40.63 1wug h LEU 816 CO 0.14 -0.00 0.61 -0.08 -0.62 0.00 0.00 178.44 178.49 1wug h GLU 817 N 0.16 0.78 0.72 1.25 4.81 -1.35 0.37 114.58 121.33 1wug h GLU 817 Ca 0.20 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1wug h GLU 817 Cb 0.27 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1wug h GLU 817 CO -0.30 0.51 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.93 1wug h LYS 818 N 0.80 -0.93 0.05 1.92 3.11 -0.20 -0.92 116.57 120.39 1wug h LYS 818 Ca 0.52 0.06 0.03 0.00 -2.81 0.00 0.00 60.65 58.45 1wug h LYS 818 Cb 0.75 0.21 -0.04 0.00 -1.00 0.00 0.00 32.23 32.15 1wug h LYS 818 CO -0.29 -0.60 -0.27 0.35 -2.81 0.00 0.00 179.45 175.82 1wug h PHE 819 N -1.06 -0.73 -0.31 1.91 3.57 -0.55 -2.16 116.94 117.60 1wug h PHE 819 Ca -0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.46 1wug h PHE 819 Cb 0.76 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 1wug h PHE 819 CO -0.01 -0.37 -0.55 0.35 -2.23 0.00 0.00 178.31 175.50 1wug h PHE 820 N -0.44 -1.68 -0.30 0.41 3.57 -0.25 0.23 116.94 118.48 1wug h PHE 820 Ca 0.05 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1wug h PHE 820 Cb 0.50 0.77 -0.08 0.00 2.79 0.00 0.00 35.95 39.93 1wug h PHE 820 CO -0.28 -0.51 -0.40 0.74 -2.23 0.00 0.00 178.31 175.63 1wug h PHE 821 N -0.47 -1.13 -0.85 0.41 -1.00 -0.93 0.35 116.94 113.32 1wug h PHE 821 Ca 0.06 0.06 0.10 0.00 2.81 0.00 0.00 57.97 60.99 1wug h PHE 821 Cb 0.63 0.54 -0.06 0.00 3.61 0.00 0.00 35.95 40.67 1wug h PHE 821 CO -0.68 -0.44 0.55 1.03 -1.61 0.00 0.00 178.31 177.17 1wug h SER 822 N -0.37 0.73 0.26 2.17 0.87 -0.73 0.27 113.55 116.76 1wug h SER 822 Ca 0.12 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1wug h SER 822 Cb 0.58 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wug h SER 822 CO -0.50 0.44 -0.13 0.50 -0.53 0.00 0.00 176.83 176.61 1wug h LYS 823 N 0.81 -0.34 -0.72 2.24 3.11 0.24 -1.98 116.57 119.93 1wug h LYS 823 Ca 0.39 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.25 1wug h LYS 823 Cb 0.42 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.70 1wug h LYS 823 CO -0.16 -0.03 0.43 -0.84 -2.81 0.00 0.00 179.45 176.04 1wug h ILE 824 N -0.67 1.21 -0.90 2.00 3.07 0.02 -0.14 117.51 122.10 1wug h ILE 824 Ca -0.04 -0.47 0.14 0.00 1.55 0.00 0.00 64.86 66.04 1wug h ILE 824 Cb 0.47 0.22 -0.07 0.00 -0.27 0.00 0.00 36.82 37.16 1wug h ILE 824 CO 0.06 0.22 0.58 0.50 -1.05 0.00 0.00 178.15 178.46 1wug h LYS 825 N 0.98 0.71 0.10 0.16 3.64 -0.44 0.67 116.57 122.39 1wug h LYS 825 Ca 0.26 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1wug h LYS 825 Cb -0.02 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1wug h LYS 825 CO -0.05 0.47 -0.05 0.93 -2.27 0.00 0.00 179.45 178.48 1wug h GLU 826 N 0.73 -0.13 0.00 1.90 4.39 -0.44 -3.14 114.58 117.89 1wug h GLU 826 Ca 0.45 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1wug h GLU 826 Cb 0.68 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1wug h GLU 826 CO -0.21 0.38 0.10 0.00 -1.16 0.00 0.00 179.01 178.12 1wug h ALA 827 N -0.13 1.10 -0.50 3.43 0.00 -0.58 -3.45 119.26 119.13 1wug h ALA 827 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wug h ALA 827 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wug h ALA 827 CO 0.02 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1wug n GLY 828 N -1.13 0.97 0.00 0.00 0.00 0.06 -4.53 105.19 100.56 1wug n GLY 828 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1wug n GLY 828 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wug n LEU 829 N -0.25 0.00 -2.74 0.99 4.77 -0.22 -0.77 117.00 118.79 1wug n LEU 829 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1wug n LEU 829 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1wug n LEU 829 CO 0.00 0.00 -0.47 -0.38 -1.33 0.00 0.00 177.39 175.21 1wug n ILE 830 N 0.00 -9.30 0.25 -0.08 5.41 -1.26 -4.82 119.36 109.56 1wug n ILE 830 Ca 0.00 1.96 0.15 0.00 1.00 0.00 0.00 62.75 65.86 1wug n ILE 830 Cb 0.00 -5.30 0.55 0.00 -0.71 0.00 0.00 39.64 34.18 1wug n ILE 830 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1wug h ASP 831 N 4.43 0.00 0.00 4.38 2.03 -1.95 -3.48 116.42 121.82 1wug h ASP 831 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1wug h ASP 831 Cb 0.89 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1wug h ASP 831 CO 0.01 0.06 0.00 0.29 -1.03 0.00 0.00 179.24 178.57