#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n72 s SER 719 N 0.00 1.72 -0.17 3.17 0.15 -1.26 -5.14 113.70 112.17 1n72 s SER 719 Ca 0.00 -0.69 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 1n72 s SER 719 Cb 0.00 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1n72 s SER 719 CO 0.00 -0.12 0.07 -0.75 1.20 0.00 0.00 173.24 173.64 1n72 s LYS 720 N -2.13 3.86 -0.47 5.44 2.47 -1.26 -5.01 119.74 122.64 1n72 s LYS 720 Ca 0.02 -0.31 0.05 0.00 -1.56 0.00 0.00 55.97 54.16 1n72 s LYS 720 Cb -0.08 -3.20 0.24 0.00 -1.46 0.00 0.00 37.83 33.34 1n72 s LYS 720 CO 0.02 0.37 0.93 -1.91 0.16 0.00 0.00 175.35 174.92 1n72 n GLU 721 N 3.25 0.67 -0.05 4.03 2.13 -1.26 -4.62 120.64 124.79 1n72 n GLU 721 Ca -0.17 -1.59 0.00 0.00 0.66 0.00 0.00 57.16 56.06 1n72 n GLU 721 Cb 0.53 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.95 1n72 n GLU 721 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1n72 n PRO 722 N 1.69 1.12 -2.71 5.31 -0.04 -1.26 -5.02 135.00 134.11 1n72 n PRO 722 Ca 0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1n72 n PRO 722 Cb 0.64 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.21 1n72 n PRO 722 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1n72 n ARG 723 N -0.25 1.15 -3.82 0.54 3.00 -1.26 -4.88 116.66 111.14 1n72 n ARG 723 Ca 0.00 -1.83 -0.09 0.00 -0.00 0.00 0.00 57.85 55.94 1n72 n ARG 723 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 32.46 32.19 1n72 n ARG 723 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1n72 s ASP 724 N -1.20 -0.24 -0.00 6.15 1.01 -1.26 -5.05 116.67 116.08 1n72 s ASP 724 Ca 0.22 -0.60 -0.23 0.00 0.71 0.00 0.00 52.55 52.64 1n72 s ASP 724 Cb 0.37 0.64 -0.14 0.00 1.01 0.00 0.00 42.92 44.81 1n72 s ASP 724 CO -0.08 -1.18 1.01 -0.65 0.21 0.00 0.00 175.17 174.47 1n72 h PRO 725 N 2.12 -0.69 -0.39 8.23 0.11 -1.99 -1.96 132.00 137.43 1n72 h PRO 725 Ca -0.25 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1n72 h PRO 725 Cb 1.26 0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.50 1n72 h PRO 725 CO 0.31 -0.40 0.25 -0.44 -0.21 0.00 0.00 178.00 177.51 1n72 h ASP 726 N -1.11 0.46 0.17 -2.05 5.19 -1.99 -1.14 116.42 115.95 1n72 h ASP 726 Ca -0.07 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1n72 h ASP 726 Cb 0.60 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1n72 h ASP 726 CO 0.12 0.35 0.00 -0.61 -3.12 0.00 0.00 179.24 175.98 1n72 h GLN 727 N 0.52 0.00 -0.47 3.56 5.75 -1.97 -2.16 115.11 120.34 1n72 h GLN 727 Ca 0.14 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1n72 h GLN 727 Cb -0.03 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1n72 h GLN 727 CO -0.03 0.00 -0.00 1.25 -2.65 0.00 0.00 178.83 177.40 1n72 h LEU 728 N 0.00 0.75 -0.60 -2.39 5.85 -0.38 -2.66 115.31 115.88 1n72 h LEU 728 Ca 0.00 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1n72 h LEU 728 Cb 0.08 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 1n72 h LEU 728 CO 0.00 0.82 0.08 0.22 -0.34 0.00 0.00 178.44 179.22 1n72 h TYR 729 N 0.73 0.11 0.00 1.25 3.20 -1.45 0.47 116.97 121.28 1n72 h TYR 729 Ca 0.14 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1n72 h TYR 729 Cb 0.45 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1n72 h TYR 729 CO 0.02 -0.08 -0.35 0.66 -1.64 0.00 0.00 178.16 176.77 1n72 h SER 730 N 0.20 0.00 0.07 -2.11 4.64 -1.65 -2.30 113.55 112.40 1n72 h SER 730 Ca 0.31 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.52 1n72 h SER 730 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1n72 h SER 730 CO -0.44 0.35 -0.53 0.00 -0.87 0.00 0.00 176.83 175.34 1n72 h THR 731 N 0.00 1.57 -0.99 2.95 1.03 -0.53 -1.68 112.91 115.25 1n72 h THR 731 Ca -0.00 -2.43 0.06 0.00 -0.01 0.00 0.00 66.41 64.03 1n72 h THR 731 Cb 0.80 3.20 -0.07 0.00 -1.07 0.00 0.00 68.15 71.01 1n72 h THR 731 CO 0.05 0.65 0.64 -0.07 -0.01 0.00 0.00 175.52 176.77 1n72 h LEU 732 N -0.67 1.02 -0.41 0.00 3.38 -0.21 0.17 115.31 118.59 1n72 h LEU 732 Ca -0.10 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1n72 h LEU 732 Cb 1.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1n72 h LEU 732 CO 0.06 0.65 -0.36 0.50 0.09 0.00 0.00 178.44 179.38 1n72 h LYS 733 N 1.16 0.95 -0.30 1.13 1.63 -1.50 -1.47 116.57 118.17 1n72 h LYS 733 Ca 0.42 -0.49 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1n72 h LYS 733 Cb 0.17 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1n72 h LYS 733 CO -0.17 1.15 0.08 1.03 -3.45 0.00 0.00 179.45 178.09 1n72 h SER 734 N 0.78 0.06 -0.71 4.20 0.87 -0.18 0.26 113.55 118.83 1n72 h SER 734 Ca 0.07 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1n72 h SER 734 Cb 0.95 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 1n72 h SER 734 CO 0.09 0.07 0.47 0.40 -0.53 0.00 0.00 176.83 177.32 1n72 h ILE 735 N 0.20 0.97 0.03 2.23 2.04 -0.56 0.26 117.51 122.67 1n72 h ILE 735 Ca 0.14 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1n72 h ILE 735 Cb 0.13 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1n72 h ILE 735 CO -0.16 0.12 -0.01 0.25 0.00 0.00 0.00 178.15 178.35 1n72 h LEU 736 N 0.66 -0.03 -1.46 1.44 7.12 0.39 0.58 115.31 124.01 1n72 h LEU 736 Ca 0.32 -0.14 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 1n72 h LEU 736 Cb 0.37 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 1n72 h LEU 736 CO -0.11 0.12 0.15 1.56 -0.13 0.00 0.00 178.44 180.04 1n72 h GLN 737 N -0.18 0.51 0.02 1.25 1.08 0.66 0.20 115.11 118.65 1n72 h GLN 737 Ca -0.00 -0.06 -0.22 0.00 -1.45 0.00 0.00 58.65 56.92 1n72 h GLN 737 Cb 0.17 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1n72 h GLN 737 CO 0.01 0.42 -0.95 1.96 -0.95 0.00 0.00 178.83 179.31 1n72 h GLN 738 N 0.51 0.26 -0.00 1.46 1.08 -0.10 -2.28 115.11 116.04 1n72 h GLN 738 Ca 0.13 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1n72 h GLN 738 Cb 0.10 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1n72 h GLN 738 CO -0.01 1.04 -0.09 0.28 -0.95 0.00 0.00 178.83 179.10 1n72 h VAL 739 N 0.14 1.59 0.00 -0.54 2.07 0.80 -3.03 116.25 117.27 1n72 h VAL 739 Ca -0.07 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1n72 h VAL 739 Cb 1.60 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 34.18 1n72 h VAL 739 CO 0.15 0.49 -0.05 0.07 0.02 0.00 0.00 177.57 178.25 1n72 h LYS 740 N -0.67 0.00 0.00 1.57 5.09 -0.72 -1.75 116.57 120.09 1n72 h LYS 740 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.69 1n72 h LYS 740 Cb 0.85 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.17 1n72 h LYS 740 CO 0.02 0.05 -0.17 1.03 -2.09 0.00 0.00 179.45 178.29 1n72 h SER 741 N 0.00 0.00 -3.17 7.07 0.87 -1.39 -3.42 113.55 113.50 1n72 h SER 741 Ca -0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 1n72 h SER 741 Cb 0.27 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.44 1n72 h SER 741 CO 0.01 0.17 -0.59 1.57 -0.53 0.00 0.00 176.83 177.46 1n72 n HIS 742 N -3.15 -1.17 1.89 2.24 -0.00 -0.66 -4.83 115.22 109.54 1n72 n HIS 742 Ca 0.03 0.19 0.03 0.00 0.46 0.00 0.00 57.72 58.43 1n72 n HIS 742 Cb 0.58 -1.74 0.15 0.00 -0.12 0.00 0.00 29.99 28.87 1n72 n HIS 742 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1n72 n GLN 743 N -2.38 1.08 0.00 1.57 10.64 -1.26 -3.46 117.38 123.56 1n72 n GLN 743 Ca 0.05 -0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1n72 n GLN 743 Cb 0.56 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.84 1n72 n GLN 743 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1n72 n SER 744 N -0.47 0.41 -0.07 2.61 7.64 -1.26 -4.66 113.62 117.82 1n72 n SER 744 Ca 0.05 -0.70 0.10 0.00 1.01 0.00 0.00 58.87 59.32 1n72 n SER 744 Cb 0.05 0.43 0.55 0.00 -1.01 0.00 0.00 64.21 64.23 1n72 n SER 744 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n72 n ALA 745 N -0.43 2.60 0.27 -0.43 0.00 -1.23 -3.98 120.51 117.33 1n72 n ALA 745 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1n72 n ALA 745 Cb 0.02 -1.29 0.75 0.00 0.00 0.00 0.00 19.45 18.93 1n72 n ALA 745 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1n72 h TRP 746 N 0.29 0.00 -0.01 0.00 5.08 -1.83 0.55 115.95 120.04 1n72 h TRP 746 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1n72 h TRP 746 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1n72 h TRP 746 CO 0.01 0.02 -0.03 -0.35 -1.28 0.00 0.00 178.44 176.81 1n72 n PRO 747 N -4.18 1.28 -0.12 0.12 -0.05 -1.26 -3.74 135.00 127.06 1n72 n PRO 747 Ca -0.03 -0.56 0.06 0.00 -0.05 0.00 0.00 63.50 62.92 1n72 n PRO 747 Cb 0.11 -1.49 0.08 0.00 -0.05 0.00 0.00 33.50 32.15 1n72 n PRO 747 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1n72 n PHE 748 N -0.37 0.00 -0.15 0.54 3.72 0.12 -4.70 117.46 116.62 1n72 n PHE 748 Ca 0.19 -0.67 0.05 0.00 -0.05 0.00 0.00 57.45 56.97 1n72 n PHE 748 Cb 0.27 -0.10 0.25 0.00 -0.94 0.00 0.00 39.48 38.96 1n72 n PHE 748 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1n72 n MET 749 N -0.92 3.39 -3.76 -1.08 2.81 -0.82 0.60 117.12 117.34 1n72 n MET 749 Ca 0.09 -1.97 0.02 0.00 -1.81 0.00 0.00 57.70 54.03 1n72 n MET 749 Cb 0.56 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1n72 n MET 749 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1n72 s GLU 750 N -2.07 0.33 0.10 0.03 2.12 -1.26 -4.65 118.70 113.29 1n72 s GLU 750 Ca 0.34 -0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.21 1n72 s GLU 750 Cb 0.26 0.10 -0.06 0.00 0.26 0.00 0.00 34.13 34.69 1n72 s GLU 750 CO 0.11 -0.15 0.85 -1.25 -0.54 0.00 0.00 175.26 174.27 1n72 s PRO 751 N -2.20 4.60 1.15 4.30 0.05 -1.26 -4.70 135.00 136.94 1n72 s PRO 751 Ca 0.20 1.24 -0.18 0.00 0.05 0.00 0.00 61.00 62.32 1n72 s PRO 751 Cb 0.03 -3.35 0.18 0.00 0.05 0.00 0.00 34.50 31.41 1n72 s PRO 751 CO -0.03 0.31 0.30 1.33 0.05 0.00 0.00 177.00 178.96 1n72 n VAL 752 N 2.57 0.00 -3.85 -0.36 0.24 -1.26 -5.04 118.33 110.63 1n72 n VAL 752 Ca -0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1n72 n VAL 752 Cb 0.49 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1n72 n VAL 752 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1n72 n LYS 753 N -2.78 1.86 -0.09 7.34 4.01 -1.26 -4.97 118.16 122.27 1n72 n LYS 753 Ca 0.04 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.73 1n72 n LYS 753 Cb 0.54 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.93 1n72 n LYS 753 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1n72 n ARG 754 N -0.14 0.98 -0.03 1.97 0.00 -1.26 -3.67 116.66 114.51 1n72 n ARG 754 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 57.85 57.90 1n72 n ARG 754 Cb 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 32.46 30.88 1n72 n ARG 754 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1n72 n THR 755 N -2.80 0.76 0.00 5.15 5.66 -1.26 -4.44 114.28 117.36 1n72 n THR 755 Ca -0.32 -0.67 -0.22 0.00 -3.05 0.00 0.00 64.05 59.80 1n72 n THR 755 Cb 1.01 -0.33 -0.14 0.00 -1.55 0.00 0.00 70.33 69.32 1n72 n THR 755 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1n72 h GLU 756 N 0.00 0.25 -6.53 1.09 5.08 -1.99 -3.46 114.58 109.03 1n72 h GLU 756 Ca -0.22 -0.43 -0.53 0.00 -1.00 0.00 0.00 59.36 57.17 1n72 h GLU 756 Cb 1.55 0.16 0.02 0.00 0.50 0.00 0.00 28.75 30.98 1n72 h GLU 756 CO 0.02 1.21 0.65 0.00 -1.00 0.00 0.00 179.01 179.89 1n72 s ALA 757 N -2.52 3.51 0.41 3.43 0.00 -1.24 -4.89 121.76 120.46 1n72 s ALA 757 Ca -0.22 1.01 0.18 0.00 0.00 0.00 0.00 51.96 52.94 1n72 s ALA 757 Cb 0.06 -3.50 1.10 0.00 0.00 0.00 0.00 23.12 20.78 1n72 s ALA 757 CO 0.76 -0.53 1.80 -1.00 0.00 0.00 0.00 175.76 176.79 1n72 h PRO 758 N 6.67 0.39 0.00 0.00 0.13 -1.90 -3.41 132.00 133.89 1n72 h PRO 758 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1n72 h PRO 758 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1n72 h PRO 758 CO 0.84 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 179.27 1n72 n GLY 759 N -1.50 0.00 0.29 1.56 0.00 -1.26 -5.01 105.19 99.27 1n72 n GLY 759 Ca 0.23 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.44 1n72 n GLY 759 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n72 h TYR 760 N 0.00 0.00 0.00 1.61 -1.99 -1.86 -1.83 116.97 112.90 1n72 h TYR 760 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1n72 h TYR 760 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1n72 h TYR 760 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.82 1n72 n TYR 761 N -3.07 0.00 -0.02 4.88 4.01 -1.26 -0.09 117.16 121.61 1n72 n TYR 761 Ca -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1n72 n TYR 761 Cb 0.24 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 1n72 n TYR 761 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1n72 n GLU 762 N -1.17 2.08 0.00 -0.72 1.02 -0.70 -4.77 120.64 116.37 1n72 n GLU 762 Ca 0.13 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1n72 n GLU 762 Cb 0.14 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1n72 n GLU 762 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1n72 n VAL 763 N -1.98 0.00 -3.49 2.62 3.14 -1.13 -4.90 118.33 112.59 1n72 n VAL 763 Ca -0.05 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.06 1n72 n VAL 763 Cb 0.45 0.10 -0.10 0.00 -1.06 0.00 0.00 33.84 33.24 1n72 n VAL 763 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1n72 n ILE 764 N -1.34 0.10 0.15 1.55 2.08 0.87 -4.98 119.36 117.79 1n72 n ILE 764 Ca 0.00 -4.16 -0.13 0.00 0.56 0.00 0.00 62.75 59.02 1n72 n ILE 764 Cb 0.10 -1.91 -0.06 0.00 -0.75 0.00 0.00 39.64 37.02 1n72 n ILE 764 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1n72 h ARG 765 N 5.05 -0.44 -2.76 0.38 3.08 -1.79 -3.39 114.38 114.51 1n72 h ARG 765 Ca 0.19 0.03 -0.60 0.00 0.07 0.00 0.00 59.98 59.67 1n72 h ARG 765 Cb 0.83 0.10 -0.39 0.00 0.08 0.00 0.00 29.97 30.59 1n72 h ARG 765 CO 0.54 -0.30 -0.80 -0.06 -1.07 0.00 0.00 179.97 178.28 1n72 s PHE 766 N -6.09 1.45 -0.17 3.04 0.08 -1.26 -4.92 117.98 110.12 1n72 s PHE 766 Ca -0.15 -2.14 0.28 0.00 0.12 0.00 0.00 56.93 55.04 1n72 s PHE 766 Cb 0.07 -1.43 0.84 0.00 -0.57 0.00 0.00 43.02 41.92 1n72 s PHE 766 CO 0.65 -0.80 1.79 -1.00 -0.10 0.00 0.00 175.22 175.76 1n72 h PRO 767 N 6.66 0.00 -5.48 0.24 0.13 -1.91 -3.48 132.00 128.16 1n72 h PRO 767 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1n72 h PRO 767 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1n72 h PRO 767 CO 0.39 0.01 -0.12 -1.33 -0.23 0.00 0.00 178.00 176.72 1n72 n MET 768 N -3.10 -1.41 0.00 0.86 2.81 -1.26 -3.26 117.12 111.75 1n72 n MET 768 Ca 0.02 1.48 0.00 0.00 -1.81 0.00 0.00 57.70 57.40 1n72 n MET 768 Cb 0.42 -5.48 0.00 0.00 -0.71 0.00 0.00 33.22 27.45 1n72 n MET 768 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1n72 n ASP 769 N -1.73 -0.44 -0.06 7.83 8.00 -1.26 -4.40 116.55 124.50 1n72 n ASP 769 Ca -0.02 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.64 1n72 n ASP 769 Cb 0.51 0.00 0.88 0.00 -0.02 0.00 0.00 41.12 42.49 1n72 n ASP 769 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n72 n LEU 770 N 0.00 0.18 -0.13 0.64 4.77 0.20 -2.88 117.00 119.78 1n72 n LEU 770 Ca 0.00 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 1n72 n LEU 770 Cb 0.00 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1n72 n LEU 770 CO 0.00 0.03 -1.34 1.17 -1.33 0.00 0.00 177.39 175.92 1n72 n LYS 771 N -0.89 0.64 0.04 3.23 0.00 -1.25 -3.76 118.16 116.18 1n72 n LYS 771 Ca 0.22 0.15 -0.20 0.00 0.00 0.00 0.00 58.31 58.49 1n72 n LYS 771 Cb 0.15 -1.51 -0.14 0.00 0.00 0.00 0.00 35.03 33.53 1n72 n LYS 771 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1n72 h THR 772 N -0.02 1.51 -0.61 3.15 2.02 -1.88 -2.18 112.91 114.90 1n72 h THR 772 Ca -0.58 -2.48 0.02 0.00 0.77 0.00 0.00 66.41 64.14 1n72 h THR 772 Cb 1.88 3.13 -0.03 0.00 -1.74 0.00 0.00 68.15 71.40 1n72 h THR 772 CO -0.10 0.70 0.40 0.00 0.37 0.00 0.00 175.52 176.90 1n72 h MET 773 N -0.35 0.77 -0.30 6.66 -0.00 -1.73 -1.40 114.93 118.57 1n72 h MET 773 Ca -0.13 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.70 59.44 1n72 h MET 773 Cb 1.59 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 33.01 1n72 h MET 773 CO 0.15 0.51 -0.15 0.66 -0.00 0.00 0.00 176.91 178.08 1n72 h SER 774 N 0.79 0.65 -0.77 -0.10 4.64 -1.65 0.10 113.55 117.22 1n72 h SER 774 Ca 0.23 -0.41 0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1n72 h SER 774 Cb -0.03 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.82 1n72 h SER 774 CO -0.06 0.91 0.51 -0.33 -0.87 0.00 0.00 176.83 176.99 1n72 h GLU 775 N 0.38 0.49 0.25 4.77 4.39 -0.61 0.81 114.58 125.07 1n72 h GLU 775 Ca 0.07 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.41 1n72 h GLU 775 Cb 0.67 -0.11 0.04 0.00 -0.10 0.00 0.00 28.75 29.25 1n72 h GLU 775 CO 0.04 0.32 -1.45 0.00 -1.16 0.00 0.00 179.01 176.77 1n72 h ARG 776 N 0.50 0.53 0.00 2.33 -0.00 -1.09 -3.17 114.38 113.49 1n72 h ARG 776 Ca 0.37 -0.90 0.00 0.00 -0.50 0.00 0.00 59.98 58.95 1n72 h ARG 776 Cb 0.74 0.33 0.00 0.00 0.00 0.00 0.00 29.97 31.04 1n72 h ARG 776 CO -0.13 1.43 0.00 1.25 0.00 0.00 0.00 179.97 182.52 1n72 h LEU 777 N 0.11 0.00 -1.90 3.04 6.46 0.43 -2.47 115.31 120.98 1n72 h LEU 777 Ca -0.26 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.55 1n72 h LEU 777 Cb 2.14 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 42.06 1n72 h LEU 777 CO 0.27 0.00 0.41 0.11 -0.62 0.00 0.00 178.44 178.61 1n72 h LYS 778 N 0.00 0.00 0.00 1.25 1.79 -0.87 -3.38 116.57 115.36 1n72 h LYS 778 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1n72 h LYS 778 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1n72 h LYS 778 CO 0.00 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 176.66 1n72 n ASN 779 N -3.18 0.00 0.00 0.86 2.85 -0.94 -5.04 115.26 109.80 1n72 n ASN 779 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1n72 n ASN 779 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1n72 n ASN 779 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1n72 n ARG 780 N -0.12 0.00 -0.15 1.20 5.12 -1.25 -4.89 116.66 116.57 1n72 n ARG 780 Ca 0.00 -0.30 0.01 0.00 -1.93 0.00 0.00 57.85 55.63 1n72 n ARG 780 Cb 0.00 -0.32 0.28 0.00 -1.16 0.00 0.00 32.46 31.27 1n72 n ARG 780 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1n72 h TYR 781 N 0.00 0.83 -3.40 -1.55 0.05 -1.83 -3.33 116.97 107.73 1n72 h TYR 781 Ca 0.00 0.01 -0.64 0.00 0.05 0.00 0.00 58.73 58.15 1n72 h TYR 781 Cb 0.97 -0.27 -0.41 0.00 1.01 0.00 0.00 36.73 38.03 1n72 h TYR 781 CO 0.00 0.54 -0.64 0.71 -1.05 0.00 0.00 178.16 177.73 1n72 s TYR 782 N -5.68 3.22 -0.40 4.88 2.02 -1.26 -4.91 117.35 115.22 1n72 s TYR 782 Ca -0.10 -3.16 0.04 0.00 -0.37 0.00 0.00 57.07 53.48 1n72 s TYR 782 Cb 0.17 -2.82 0.30 0.00 -0.40 0.00 0.00 41.96 39.21 1n72 s TYR 782 CO 0.77 -0.76 1.18 1.55 -1.57 0.00 0.00 175.55 176.72 1n72 n VAL 783 N 3.20 0.00 -2.70 0.71 3.14 -1.25 -4.70 118.33 116.73 1n72 n VAL 783 Ca 0.05 -1.08 -0.07 0.00 -2.96 0.00 0.00 64.34 60.28 1n72 n VAL 783 Cb 0.33 1.29 0.12 0.00 -1.06 0.00 0.00 33.84 34.52 1n72 n VAL 783 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1n72 n SER 784 N 0.90 -1.73 0.00 6.55 2.88 -1.26 -4.98 113.62 115.98 1n72 n SER 784 Ca 0.02 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 1n72 n SER 784 Cb 0.70 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 1n72 n SER 784 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1n72 n LYS 785 N -0.62 0.00 0.21 -1.46 5.02 -1.26 -2.78 118.16 117.26 1n72 n LYS 785 Ca -0.03 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.40 1n72 n LYS 785 Cb 0.85 0.00 0.76 0.00 -0.02 0.00 0.00 35.03 36.62 1n72 n LYS 785 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1n72 h LYS 786 N 0.00 0.00 -0.08 1.97 1.63 -1.97 -0.33 116.57 117.79 1n72 h LYS 786 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1n72 h LYS 786 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1n72 h LYS 786 CO 0.00 0.00 -0.19 -0.07 -3.45 0.00 0.00 179.45 175.74 1n72 h LEU 787 N 0.00 0.30 -0.54 5.20 -0.00 -1.91 -0.77 115.31 117.59 1n72 h LEU 787 Ca 0.07 -0.59 -0.16 0.00 -0.00 0.00 0.00 57.88 57.20 1n72 h LEU 787 Cb 0.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1n72 h LEU 787 CO -0.00 0.83 -0.67 0.15 -0.00 0.00 0.00 178.44 178.76 1n72 h PHE 788 N -0.22 0.38 0.23 1.13 3.57 -1.72 -2.41 116.94 117.90 1n72 h PHE 788 Ca -0.00 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1n72 h PHE 788 Cb 0.80 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1n72 h PHE 788 CO 0.12 0.87 -0.11 1.98 -2.23 0.00 0.00 178.31 178.94 1n72 h MET 789 N 0.20 -0.30 -0.95 1.11 4.05 -1.10 -2.49 114.93 115.45 1n72 h MET 789 Ca -0.02 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1n72 h MET 789 Cb 1.21 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 32.01 1n72 h MET 789 CO 0.11 0.08 0.61 0.00 0.23 0.00 0.00 176.91 177.93 1n72 h ALA 790 N -0.22 1.33 0.17 0.39 0.00 -1.20 0.35 119.26 120.08 1n72 h ALA 790 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n72 h ALA 790 Cb 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n72 h ALA 790 CO 0.05 0.37 -0.20 0.22 0.00 0.00 0.00 179.25 179.69 1n72 h ASP 791 N 1.09 -0.53 0.09 0.00 1.82 -1.42 0.95 116.42 118.41 1n72 h ASP 791 Ca 0.42 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 57.11 1n72 h ASP 791 Cb 0.20 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1n72 h ASP 791 CO -0.18 -0.29 -0.04 0.25 -1.61 0.00 0.00 179.24 177.37 1n72 h LEU 792 N -0.41 -0.10 -1.85 2.28 7.12 -0.97 -2.24 115.31 119.14 1n72 h LEU 792 Ca 0.01 -0.30 0.18 0.00 0.13 0.00 0.00 57.88 57.90 1n72 h LEU 792 Cb 0.40 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.52 1n72 h LEU 792 CO -0.06 0.26 0.49 -0.61 -0.13 0.00 0.00 178.44 178.38 1n72 h GLN 793 N -0.47 0.14 -0.49 1.25 5.75 -0.20 0.28 115.11 121.37 1n72 h GLN 793 Ca -0.01 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1n72 h GLN 793 Cb 0.40 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1n72 h GLN 793 CO 0.02 0.09 0.06 0.00 -2.65 0.00 0.00 178.83 176.35 1n72 h ARG 794 N 0.14 0.82 0.55 1.69 2.47 0.14 0.32 114.38 120.51 1n72 h ARG 794 Ca 0.34 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 1n72 h ARG 794 Cb 1.14 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1n72 h ARG 794 CO -0.05 0.84 -0.28 0.28 0.56 0.00 0.00 179.97 181.32 1n72 h VAL 795 N 0.69 0.42 0.85 2.04 2.07 0.11 -0.27 116.25 122.17 1n72 h VAL 795 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1n72 h VAL 795 Cb 0.43 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1n72 h VAL 795 CO 0.01 0.00 -0.41 -0.26 0.02 0.00 0.00 177.57 176.93 1n72 h PHE 796 N -0.77 -1.06 0.00 1.57 0.04 -1.29 -1.70 116.94 113.73 1n72 h PHE 796 Ca -0.07 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1n72 h PHE 796 Cb 0.60 0.35 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1n72 h PHE 796 CO -0.05 -0.66 -0.08 1.15 -0.60 0.00 0.00 178.31 178.07 1n72 h THR 797 N -1.26 0.00 -0.86 -1.55 2.02 -0.40 -0.03 112.91 110.84 1n72 h THR 797 Ca -0.12 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.28 1n72 h THR 797 Cb 0.88 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.16 1n72 h THR 797 CO 0.19 0.00 0.27 0.78 0.37 0.00 0.00 175.52 177.13 1n72 h ASN 798 N -0.10 0.09 -0.17 4.18 4.21 -1.15 0.19 115.58 122.83 1n72 h ASN 798 Ca 0.00 0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 1n72 h ASN 798 Cb 0.10 0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1n72 h ASN 798 CO -0.05 -0.09 0.10 0.00 -1.29 0.00 0.00 177.43 176.10 1n72 h LYS 800 N 0.19 0.72 -0.28 0.00 1.57 0.73 -3.08 116.57 116.42 1n72 h LYS 800 Ca 0.06 -0.31 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1n72 h LYS 800 Cb 0.04 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.25 1n72 h LYS 800 CO -0.01 0.91 -0.37 0.93 -0.57 0.00 0.00 179.45 180.34 1n72 h GLU 801 N 0.62 -0.34 -0.91 3.15 5.08 -0.49 0.11 114.58 121.80 1n72 h GLU 801 Ca 0.08 0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 1n72 h GLU 801 Cb 0.78 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.98 1n72 h GLU 801 CO 0.06 -0.23 0.25 0.98 -1.00 0.00 0.00 179.01 179.08 1n72 n TYR 802 N -5.42 1.63 -3.76 4.33 9.36 -1.19 -4.73 117.16 117.38 1n72 n TYR 802 Ca -0.01 -0.99 -0.29 0.00 3.32 0.00 0.00 57.90 59.92 1n72 n TYR 802 Cb 0.34 -0.55 -0.15 0.00 -0.63 0.00 0.00 39.34 38.35 1n72 n TYR 802 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1n72 s ASN 803 N -0.40 3.74 1.40 2.98 0.01 0.03 -5.00 114.94 117.70 1n72 s ASN 803 Ca 0.33 -1.39 -0.20 0.00 -0.71 0.00 0.00 52.86 50.89 1n72 s ASN 803 Cb 0.27 -0.84 0.31 0.00 0.41 0.00 0.00 41.25 41.41 1n72 s ASN 803 CO 0.08 -0.37 0.71 -0.81 -1.51 0.00 0.00 177.10 175.20 1n72 n PRO 804 N 4.88 -4.40 -0.60 -0.60 -0.04 -1.26 -4.69 135.00 128.29 1n72 n PRO 804 Ca -0.05 -1.20 -0.22 0.00 -0.04 0.00 0.00 63.50 62.00 1n72 n PRO 804 Cb 0.43 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1n72 n PRO 804 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1n72 n PRO 805 N -5.15 1.29 0.00 0.54 -0.02 -1.26 -4.67 135.00 125.72 1n72 n PRO 805 Ca 0.11 -1.24 0.00 0.00 -2.02 0.00 0.00 63.50 60.35 1n72 n PRO 805 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1n72 n PRO 805 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1n72 n GLU 806 N 5.18 0.00 0.00 -0.52 2.13 -1.26 -4.99 120.64 121.18 1n72 n GLU 806 Ca 0.34 0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1n72 n GLU 806 Cb 0.17 -0.73 0.00 0.00 0.27 0.00 0.00 31.44 31.15 1n72 n GLU 806 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1n72 n SER 807 N -0.26 0.00 -0.00 4.31 2.88 -1.26 -4.95 113.62 114.33 1n72 n SER 807 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1n72 n SER 807 Cb 0.00 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1n72 n SER 807 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1n72 n GLU 808 N -1.88 0.64 0.13 -1.46 2.13 -1.26 -4.34 120.64 114.61 1n72 n GLU 808 Ca 0.00 -0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.71 1n72 n GLU 808 Cb 0.00 -1.13 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 1n72 n GLU 808 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1n72 h TYR 809 N 0.00 -0.32 -0.37 4.31 0.05 -1.93 0.16 116.97 118.87 1n72 h TYR 809 Ca 0.00 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1n72 h TYR 809 Cb 0.30 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1n72 h TYR 809 CO 0.00 -0.20 0.25 -0.92 -1.05 0.00 0.00 178.16 176.24 1n72 h TYR 810 N -0.41 0.32 0.63 4.88 3.20 -1.85 -2.45 116.97 121.29 1n72 h TYR 810 Ca -0.04 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1n72 h TYR 810 Cb 0.26 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.43 1n72 h TYR 810 CO 0.13 0.18 -0.30 0.87 -1.64 0.00 0.00 178.16 177.40 1n72 h LYS 811 N 0.33 -0.81 -0.44 1.82 1.57 -1.73 -1.74 116.57 115.57 1n72 h LYS 811 Ca 0.16 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1n72 h LYS 811 Cb 0.22 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 32.62 1n72 h LYS 811 CO -0.03 -0.54 -0.38 0.00 -0.57 0.00 0.00 179.45 177.93 1n72 h ALA 813 N 0.64 1.89 0.79 0.00 0.00 -1.49 0.64 119.26 121.73 1n72 h ALA 813 Ca 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n72 h ALA 813 Cb 0.56 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1n72 h ALA 813 CO -0.58 -0.21 -0.38 -0.97 0.00 0.00 0.00 179.25 177.11 1n72 h ASN 814 N 0.64 -0.90 0.00 0.00 -0.73 0.90 -0.51 115.58 114.98 1n72 h ASN 814 Ca 0.52 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.72 1n72 h ASN 814 Cb 0.97 0.23 -0.00 0.00 0.27 0.00 0.00 38.32 39.79 1n72 h ASN 814 CO -0.28 -0.55 -0.01 0.40 -0.37 0.00 0.00 177.43 176.63 1n72 h ILE 815 N -1.25 0.00 -0.77 2.57 2.04 0.16 0.91 117.51 121.17 1n72 h ILE 815 Ca -0.11 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.93 1n72 h ILE 815 Cb 0.82 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 1n72 h ILE 815 CO 0.18 0.00 0.06 0.25 0.00 0.00 0.00 178.15 178.64 1n72 h LEU 816 N -0.01 -0.24 -0.30 1.44 5.85 0.10 0.32 115.31 122.46 1n72 h LEU 816 Ca 0.00 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1n72 h LEU 816 Cb 0.01 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1n72 h LEU 816 CO -0.01 -0.15 0.01 -0.08 -0.34 0.00 0.00 178.44 177.87 1n72 h GLU 817 N 0.14 0.10 -0.93 1.25 4.81 -0.66 0.62 114.58 119.91 1n72 h GLU 817 Ca 0.43 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1n72 h GLU 817 Cb 0.77 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1n72 h GLU 817 CO -0.64 0.07 0.61 -0.22 -0.73 0.00 0.00 179.01 178.10 1n72 h LYS 818 N 0.10 1.18 -0.24 1.92 3.64 0.19 -0.71 116.57 122.66 1n72 h LYS 818 Ca 0.15 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1n72 h LYS 818 Cb 0.19 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1n72 h LYS 818 CO -0.24 0.78 -0.26 0.35 -2.27 0.00 0.00 179.45 177.82 1n72 h PHE 819 N 1.22 0.51 0.32 1.91 3.57 0.13 -2.65 116.94 121.95 1n72 h PHE 819 Ca 0.35 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1n72 h PHE 819 Cb -0.07 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1n72 h PHE 819 CO -0.00 0.68 -0.16 0.35 -2.23 0.00 0.00 178.31 176.95 1n72 h PHE 820 N 0.40 -0.40 -0.64 0.41 3.57 0.16 -1.97 116.94 118.47 1n72 h PHE 820 Ca 0.06 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.69 1n72 h PHE 820 Cb 0.67 0.13 -0.11 0.00 2.79 0.00 0.00 35.95 39.44 1n72 h PHE 820 CO 0.02 -0.13 0.01 0.74 -2.23 0.00 0.00 178.31 176.72 1n72 h PHE 821 N -0.63 -0.03 -0.66 0.41 -1.00 -1.15 1.05 116.94 114.92 1n72 h PHE 821 Ca -0.04 0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1n72 h PHE 821 Cb 0.45 0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 1n72 h PHE 821 CO -0.01 -0.17 0.44 0.66 -1.61 0.00 0.00 178.31 177.62 1n72 h SER 822 N 0.12 0.54 0.95 2.17 4.64 -1.33 -0.95 113.55 119.70 1n72 h SER 822 Ca 0.34 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.45 1n72 h SER 822 Cb 0.56 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1n72 h SER 822 CO -0.55 0.34 -1.04 0.11 -0.87 0.00 0.00 176.83 174.82 1n72 h LYS 823 N 0.61 0.02 -0.07 4.77 1.79 0.14 -3.31 116.57 120.53 1n72 h LYS 823 Ca 0.29 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 1n72 h LYS 823 Cb 0.36 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1n72 h LYS 823 CO -0.09 1.00 -0.04 0.82 -1.08 0.00 0.00 179.45 180.06 1n72 h ILE 824 N 0.01 0.88 -0.25 1.86 1.08 0.21 -0.94 117.51 120.35 1n72 h ILE 824 Ca -0.03 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 1n72 h ILE 824 Cb 1.80 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1n72 h ILE 824 CO 0.13 0.00 0.47 0.50 -0.69 0.00 0.00 178.15 178.57 1n72 h LYS 825 N -0.03 0.00 0.00 2.37 1.63 -1.52 1.46 116.57 120.48 1n72 h LYS 825 Ca 0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1n72 h LYS 825 Cb 0.10 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1n72 h LYS 825 CO -0.09 0.00 -0.10 0.93 -3.45 0.00 0.00 179.45 176.73 1n72 h GLU 826 N 0.00 0.00 0.00 1.90 4.39 -1.30 -3.16 114.58 116.42 1n72 h GLU 826 Ca 0.12 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.54 1n72 h GLU 826 Cb 1.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 1n72 h GLU 826 CO -0.00 0.10 -2.25 0.00 -1.16 0.00 0.00 179.01 175.70 1n72 n ALA 827 N -2.14 1.81 -1.29 3.43 0.00 0.48 -4.04 120.51 118.75 1n72 n ALA 827 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1n72 n ALA 827 Cb 0.43 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1n72 n ALA 827 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n72 n GLY 828 N 1.62 1.01 0.12 0.00 0.00 0.20 -4.88 105.19 103.26 1n72 n GLY 828 Ca -0.25 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1n72 n GLY 828 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n72 n LEU 829 N -0.11 1.92 0.23 0.99 4.77 -1.24 -4.00 117.00 119.56 1n72 n LEU 829 Ca 0.00 0.23 0.14 0.00 -0.03 0.00 0.00 56.01 56.36 1n72 n LEU 829 Cb 0.30 -0.57 0.41 0.00 -2.33 0.00 0.00 43.42 41.23 1n72 n LEU 829 CO 0.00 0.68 0.89 0.40 -1.33 0.00 0.00 177.39 178.04 1n72 h ILE 830 N 0.04 0.00 -2.13 -0.08 2.04 -1.93 -3.45 117.51 111.99 1n72 h ILE 830 Ca -0.40 -0.73 -0.40 0.00 1.00 0.00 0.00 64.86 64.33 1n72 h ILE 830 Cb 2.03 1.72 0.21 0.00 -0.74 0.00 0.00 36.82 40.04 1n72 h ILE 830 CO 0.07 0.00 -0.99 -0.67 0.00 0.00 0.00 178.15 176.56 1n72 n ASP 831 N -3.00 -2.62 0.00 1.72 -0.08 -1.26 -5.12 116.55 106.20 1n72 n ASP 831 Ca 0.03 -0.21 0.15 0.00 -1.51 0.00 0.00 54.79 53.24 1n72 n ASP 831 Cb 0.42 -0.88 0.88 0.00 2.34 0.00 0.00 41.12 43.88 1n72 n ASP 831 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61