#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f68 n ASP 731 N 0.00 4.55 -0.03 1.61 8.00 -1.26 -4.67 116.55 124.75 1f68 n ASP 731 Ca 0.00 -2.26 -0.12 0.00 0.71 0.00 0.00 54.79 53.12 1f68 n ASP 731 Cb 0.00 -1.04 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 1f68 n ASP 731 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1f68 h GLN 732 N 5.75 0.20 0.17 -1.24 1.08 -2.05 0.11 115.11 119.14 1f68 h GLN 732 Ca 0.41 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.56 1f68 h GLN 732 Cb 0.35 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 1f68 h GLN 732 CO 1.17 0.42 -0.39 1.25 -0.95 0.00 0.00 178.83 180.33 1f68 h LEU 733 N -0.04 -1.13 -0.50 1.46 5.85 -1.99 0.11 115.31 119.07 1f68 h LEU 733 Ca 0.03 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1f68 h LEU 733 Cb 0.32 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 1f68 h LEU 733 CO 0.00 -0.48 -0.13 0.22 -0.34 0.00 0.00 178.44 177.71 1f68 h TYR 734 N -0.66 -0.29 -0.52 1.25 3.20 -1.85 0.80 116.97 118.90 1f68 h TYR 734 Ca 0.01 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1f68 h TYR 734 Cb 0.66 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 1f68 h TYR 734 CO -0.32 -0.22 0.26 1.15 -1.64 0.00 0.00 178.16 177.39 1f68 h THR 735 N -0.01 0.93 0.37 1.81 2.02 -0.17 0.21 112.91 118.08 1f68 h THR 735 Ca 0.24 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1f68 h THR 735 Cb 0.37 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1f68 h THR 735 CO -0.52 0.09 -0.18 0.74 0.37 0.00 0.00 175.52 176.02 1f68 h THR 736 N 0.50 0.64 -0.93 3.16 2.02 0.21 -0.15 112.91 118.37 1f68 h THR 736 Ca 0.24 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.46 1f68 h THR 736 Cb 0.16 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1f68 h THR 736 CO -0.18 0.01 0.59 -0.07 0.37 0.00 0.00 175.52 176.25 1f68 h LEU 737 N -0.53 0.80 -0.18 2.58 3.38 -0.56 0.64 115.31 121.44 1f68 h LEU 737 Ca -0.05 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1f68 h LEU 737 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1f68 h LEU 737 CO 0.08 0.44 -0.04 0.50 0.09 0.00 0.00 178.44 179.52 1f68 h LYS 738 N 0.87 0.34 -0.33 1.13 3.64 -0.17 0.18 116.57 122.23 1f68 h LYS 738 Ca 0.45 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1f68 h LYS 738 Cb 0.51 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1f68 h LYS 738 CO -0.21 0.60 0.22 -0.91 -2.27 0.00 0.00 179.45 176.87 1f68 h ASN 739 N 0.05 0.37 0.24 4.20 2.35 -0.46 0.11 115.58 122.43 1f68 h ASN 739 Ca 0.05 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1f68 h ASN 739 Cb 0.47 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1f68 h ASN 739 CO 0.02 0.27 -0.38 0.25 -1.65 0.00 0.00 177.43 175.93 1f68 h LEU 740 N 0.44 -1.08 -0.47 1.61 5.85 -0.78 -1.44 115.31 119.45 1f68 h LEU 740 Ca 0.12 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1f68 h LEU 740 Cb -0.04 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1f68 h LEU 740 CO -0.03 -0.49 0.20 0.25 -0.34 0.00 0.00 178.44 178.02 1f68 h LEU 741 N -0.69 0.24 -0.12 2.25 5.85 -0.44 0.14 115.31 122.54 1f68 h LEU 741 Ca 0.00 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1f68 h LEU 741 Cb 0.67 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1f68 h LEU 741 CO -0.15 0.17 -0.15 0.00 -0.34 0.00 0.00 178.44 177.97 1f68 h ALA 742 N 1.29 -0.08 -0.34 1.25 0.00 -0.63 0.23 119.26 120.97 1f68 h ALA 742 Ca 0.22 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1f68 h ALA 742 Cb 0.18 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1f68 h ALA 742 CO -0.19 -0.61 0.12 1.96 0.00 0.00 0.00 179.25 180.53 1f68 h GLN 743 N -0.20 0.26 -0.80 0.00 4.20 -0.77 0.12 115.11 117.92 1f68 h GLN 743 Ca 0.09 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1f68 h GLN 743 Cb 0.33 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1f68 h GLN 743 CO -0.24 0.17 0.50 0.82 -0.67 0.00 0.00 178.83 179.41 1f68 h ILE 744 N 0.27 1.07 -0.59 2.54 2.04 -0.32 0.76 117.51 123.27 1f68 h ILE 744 Ca 0.15 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1f68 h ILE 744 Cb 0.12 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1f68 h ILE 744 CO -0.15 0.17 0.00 0.11 0.00 0.00 0.00 178.15 178.28 1f68 h LYS 745 N 0.94 1.04 -0.93 2.37 1.57 -0.20 -3.00 116.57 118.36 1f68 h LYS 745 Ca 0.33 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1f68 h LYS 745 Cb 0.09 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1f68 h LYS 745 CO -0.14 1.02 0.61 0.77 -0.57 0.00 0.00 179.45 181.14 1f68 h SER 746 N 0.94 1.03 -1.60 0.86 0.02 0.22 -3.41 113.55 111.60 1f68 h SER 746 Ca 0.17 -0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 60.45 1f68 h SER 746 Cb 0.55 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1f68 h SER 746 CO 0.03 0.72 1.22 1.57 -1.14 0.00 0.00 176.83 179.23 1f68 n HIS 747 N -4.47 1.99 -0.33 3.45 -0.00 0.16 -4.86 115.22 111.17 1f68 n HIS 747 Ca 0.12 0.17 0.09 0.00 -0.00 0.00 0.00 57.72 58.10 1f68 n HIS 747 Cb 0.06 -2.59 0.20 0.00 -0.00 0.00 0.00 29.99 27.66 1f68 n HIS 747 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1f68 h PRO 748 N 10.58 0.02 0.00 1.57 0.11 -1.86 -0.92 132.00 141.50 1f68 h PRO 748 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1f68 h PRO 748 Cb 1.29 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1f68 h PRO 748 CO 0.98 0.01 0.14 0.77 -0.21 0.00 0.00 178.00 179.68 1f68 h SER 749 N 0.02 0.00 0.21 -2.05 0.02 -1.89 -0.18 113.55 109.68 1f68 h SER 749 Ca 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1f68 h SER 749 Cb 0.91 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 1f68 h SER 749 CO -0.91 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 174.74 1f68 h ALA 750 N 1.65 1.27 -1.00 3.77 0.00 -1.38 -3.38 119.26 120.18 1f68 h ALA 750 Ca 0.00 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.10 1f68 h ALA 750 Cb 0.27 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.86 1f68 h ALA 750 CO 0.00 0.05 -0.14 -2.67 0.00 0.00 0.00 179.25 176.49 1f68 n TRP 751 N -3.53 0.47 -0.08 0.00 4.27 -0.08 -0.75 117.44 117.74 1f68 n TRP 751 Ca -0.02 1.21 -0.11 0.00 -3.89 0.00 0.00 57.50 54.69 1f68 n TRP 751 Cb 0.15 -1.15 -0.04 0.00 -1.36 0.00 0.00 31.31 28.91 1f68 n TRP 751 CO 0.00 0.00 0.00 -1.35 -2.29 0.00 0.00 177.69 174.05 1f68 h PRO 752 N 0.00 0.44 0.00 -2.67 0.11 -1.86 -3.15 132.00 124.87 1f68 h PRO 752 Ca 0.53 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1f68 h PRO 752 Cb 0.94 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1f68 h PRO 752 CO -0.99 0.63 0.00 1.19 -0.21 0.00 0.00 178.00 178.62 1f68 n PHE 753 N -4.62 0.92 0.28 0.65 3.72 0.07 -1.22 117.46 117.27 1f68 n PHE 753 Ca -0.04 0.29 0.17 0.00 -0.05 0.00 0.00 57.45 57.83 1f68 n PHE 753 Cb 0.26 -0.97 0.79 0.00 -0.94 0.00 0.00 39.48 38.62 1f68 n PHE 753 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1f68 h MET 754 N 0.00 0.00 -6.12 -1.08 2.86 -1.12 0.12 114.93 109.59 1f68 h MET 754 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 1f68 h MET 754 Cb 0.64 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.24 1f68 h MET 754 CO 0.00 0.04 0.81 -1.21 1.06 0.00 0.00 176.91 177.62 1f68 s GLU 755 N -3.87 4.22 -1.24 1.72 2.02 -0.36 -4.19 118.70 117.01 1f68 s GLU 755 Ca -0.01 1.33 -0.18 0.00 0.02 0.00 0.00 54.97 56.12 1f68 s GLU 755 Cb 0.11 -3.66 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1f68 s GLU 755 CO 0.53 -0.68 1.96 -0.35 0.02 0.00 0.00 175.26 176.74 1f68 n PRO 756 N 6.43 2.53 -1.39 0.39 -0.04 -1.26 -4.87 135.00 136.80 1f68 n PRO 756 Ca 0.12 -2.68 -0.50 0.00 -0.04 0.00 0.00 63.50 60.40 1f68 n PRO 756 Cb 0.46 -3.37 -0.12 0.00 -0.04 0.00 0.00 33.50 30.43 1f68 n PRO 756 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1f68 n VAL 757 N 6.15 0.02 -2.55 0.52 0.31 -1.26 -4.87 118.33 116.65 1f68 n VAL 757 Ca 0.49 -0.07 -0.31 0.00 -0.01 0.00 0.00 64.34 64.44 1f68 n VAL 757 Cb 0.43 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 32.58 1f68 n VAL 757 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1f68 s LYS 758 N 7.38 3.80 0.26 5.55 1.02 -1.26 -4.87 119.74 131.62 1f68 s LYS 758 Ca 1.24 0.66 -0.06 0.00 0.02 0.00 0.00 55.97 57.83 1f68 s LYS 758 Cb -1.26 -2.26 0.48 0.00 -0.52 0.00 0.00 37.83 34.27 1f68 s LYS 758 CO 0.55 -0.20 1.62 0.87 -0.92 0.00 0.00 175.35 177.27 1f68 h LYS 759 N 0.85 0.08 -0.05 1.68 1.79 -1.89 0.08 116.57 119.11 1f68 h LYS 759 Ca -0.47 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.91 1f68 h LYS 759 Cb 1.19 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1f68 h LYS 759 CO 0.63 0.05 -0.37 0.66 -1.08 0.00 0.00 179.45 179.34 1f68 h SER 760 N 0.08 0.10 0.05 0.86 4.64 -1.98 -1.50 113.55 115.81 1f68 h SER 760 Ca 0.44 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 1f68 h SER 760 Cb 0.79 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1f68 h SER 760 CO -0.72 0.47 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.10 1f68 h GLU 761 N 0.09 0.10 -1.88 4.77 5.08 -1.43 -3.43 114.58 117.88 1f68 h GLU 761 Ca 0.01 -0.18 -0.47 0.00 -1.00 0.00 0.00 59.36 57.72 1f68 h GLU 761 Cb 0.70 0.07 -0.32 0.00 0.50 0.00 0.00 28.75 29.69 1f68 h GLU 761 CO 0.05 1.08 -0.88 0.00 -1.00 0.00 0.00 179.01 178.27 1f68 n ALA 762 N -2.63 1.58 -0.33 3.43 0.00 -0.19 -4.99 120.51 117.39 1f68 n ALA 762 Ca -0.11 -2.64 -0.02 0.00 0.00 0.00 0.00 53.44 50.67 1f68 n ALA 762 Cb 0.60 -0.95 0.11 0.00 0.00 0.00 0.00 19.45 19.21 1f68 n ALA 762 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1f68 h PRO 763 N 5.10 1.10 -1.20 0.00 0.13 -1.46 0.36 132.00 136.03 1f68 h PRO 763 Ca 0.16 -0.07 0.39 0.00 -0.87 0.00 0.00 66.00 65.62 1f68 h PRO 763 Cb 0.95 -0.25 -0.13 0.00 0.13 0.00 0.00 31.00 31.70 1f68 h PRO 763 CO 0.31 0.73 0.75 0.38 -0.23 0.00 0.00 178.00 179.94 1f68 h ASP 764 N 1.13 0.32 -0.73 1.44 2.03 -1.94 0.12 116.42 118.78 1f68 h ASP 764 Ca 0.35 0.15 0.14 0.00 -0.73 0.00 0.00 57.03 56.94 1f68 h ASP 764 Cb -0.03 0.13 -0.10 0.00 -0.83 0.00 0.00 39.33 38.50 1f68 h ASP 764 CO -0.11 -0.17 0.26 0.22 -1.03 0.00 0.00 179.24 178.42 1f68 h TYR 765 N 0.15 0.44 0.00 4.15 5.03 -1.31 0.62 116.97 126.05 1f68 h TYR 765 Ca 0.78 0.04 0.00 0.00 2.58 0.00 0.00 58.73 62.13 1f68 h TYR 765 Cb 2.27 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 40.46 1f68 h TYR 765 CO -0.01 0.03 -0.12 0.66 -1.32 0.00 0.00 178.16 177.41 1f68 n TYR 766 N -5.04 0.01 0.08 -3.82 4.02 0.40 -0.32 117.16 112.50 1f68 n TYR 766 Ca 0.14 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.81 1f68 n TYR 766 Cb 0.41 -0.45 -0.15 0.00 -0.02 0.00 0.00 39.34 39.13 1f68 n TYR 766 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1f68 h GLU 767 N 0.00 0.39 0.01 -0.72 5.08 -0.76 -3.40 114.58 115.17 1f68 h GLU 767 Ca 0.00 -0.67 -0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1f68 h GLU 767 Cb 0.50 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1f68 h GLU 767 CO 0.00 1.32 -0.00 0.28 -1.00 0.00 0.00 179.01 179.61 1f68 h VAL 768 N -0.16 0.38 -3.55 3.13 2.07 -0.87 -3.45 116.25 113.80 1f68 h VAL 768 Ca -0.21 -1.28 -0.57 0.00 0.82 0.00 0.00 66.70 65.47 1f68 h VAL 768 Cb 1.87 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 32.29 1f68 h VAL 768 CO 0.19 0.13 0.88 -0.63 0.02 0.00 0.00 177.57 178.16 1f68 s ILE 769 N -1.72 4.20 0.43 4.57 -1.09 0.56 -4.90 121.20 123.25 1f68 s ILE 769 Ca -0.04 1.03 0.13 0.00 -2.23 0.00 0.00 60.65 59.54 1f68 s ILE 769 Cb -0.01 -4.61 0.17 0.00 -1.58 0.00 0.00 42.46 36.43 1f68 s ILE 769 CO 0.15 -1.08 1.95 0.03 -1.23 0.00 0.00 174.94 174.76 1f68 h ARG 770 N 9.30 0.05 -2.29 2.79 2.47 -1.87 -3.37 114.38 121.46 1f68 h ARG 770 Ca -0.24 -0.01 -0.59 0.00 -1.26 0.00 0.00 59.98 57.88 1f68 h ARG 770 Cb 1.06 -0.01 -0.40 0.00 -1.65 0.00 0.00 29.97 28.97 1f68 h ARG 770 CO 1.13 0.25 -0.81 1.19 0.56 0.00 0.00 179.97 182.28 1f68 n PHE 771 N -4.28 1.64 -1.70 3.04 3.72 -1.26 -5.11 117.46 113.52 1f68 n PHE 771 Ca -0.02 -3.87 -0.44 0.00 -0.05 0.00 0.00 57.45 53.07 1f68 n PHE 771 Cb 0.27 -0.39 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 1f68 n PHE 771 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1f68 n PRO 772 N 1.47 2.52 -3.58 -1.08 -0.02 -1.26 -4.91 135.00 128.14 1f68 n PRO 772 Ca 0.25 0.91 -0.16 0.00 -2.02 0.00 0.00 63.50 62.49 1f68 n PRO 772 Cb 0.45 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 1f68 n PRO 772 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1f68 s ILE 773 N 1.23 0.02 0.29 4.25 1.10 -1.26 -5.11 121.20 121.72 1f68 s ILE 773 Ca 0.77 -0.17 -0.19 0.00 -0.51 0.00 0.00 60.65 60.56 1f68 s ILE 773 Cb -0.58 -0.92 0.02 0.00 0.15 0.00 0.00 42.46 41.13 1f68 s ILE 773 CO 0.35 -0.09 0.69 1.51 -2.11 0.00 0.00 174.94 175.29 1f68 s ASP 774 N -1.52 -0.17 0.21 4.50 1.47 -1.26 -4.68 116.67 115.22 1f68 s ASP 774 Ca -0.09 -0.75 0.08 0.00 1.18 0.00 0.00 52.55 52.97 1f68 s ASP 774 Cb -0.01 0.73 0.14 0.00 -0.34 0.00 0.00 42.92 43.44 1f68 s ASP 774 CO 0.04 -1.37 1.48 -0.07 0.68 0.00 0.00 175.17 175.93 1f68 h LEU 775 N 2.04 0.05 0.16 2.11 3.38 -1.06 0.72 115.31 122.71 1f68 h LEU 775 Ca -0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1f68 h LEU 775 Cb 1.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1f68 h LEU 775 CO 0.28 0.79 -0.08 0.50 0.09 0.00 0.00 178.44 180.02 1f68 h LYS 776 N 0.02 -0.21 -0.67 1.13 1.63 -1.73 -0.08 116.57 116.66 1f68 h LYS 776 Ca -0.01 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1f68 h LYS 776 Cb 1.34 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.96 1f68 h LYS 776 CO 0.10 -0.01 0.37 1.15 -3.45 0.00 0.00 179.45 177.61 1f68 h THR 777 N -0.38 0.95 -0.47 1.00 2.02 -1.87 0.60 112.91 114.76 1f68 h THR 777 Ca -0.02 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.02 1f68 h THR 777 Cb 0.30 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1f68 h THR 777 CO 0.04 0.12 -0.11 0.24 0.37 0.00 0.00 175.52 176.18 1f68 h MET 778 N 0.67 0.01 -0.03 6.66 2.86 -0.74 0.77 114.93 125.12 1f68 h MET 778 Ca 0.31 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.98 1f68 h MET 778 Cb 0.21 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1f68 h MET 778 CO -0.20 0.00 -0.23 1.15 1.06 0.00 0.00 176.91 178.70 1f68 h THR 779 N 0.01 0.47 -0.49 2.22 2.02 0.10 0.15 112.91 117.38 1f68 h THR 779 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1f68 h THR 779 Cb 0.34 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1f68 h THR 779 CO -0.47 0.00 0.26 -0.33 0.37 0.00 0.00 175.52 175.34 1f68 h GLU 780 N -0.34 0.70 -0.42 6.66 4.39 -0.48 0.63 114.58 125.72 1f68 h GLU 780 Ca 0.07 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1f68 h GLU 780 Cb 0.44 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1f68 h GLU 780 CO -0.23 0.56 0.17 0.00 -1.16 0.00 0.00 179.01 178.35 1f68 h ARG 781 N 0.65 0.34 -0.11 2.33 3.08 -0.66 0.24 114.38 120.25 1f68 h ARG 781 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1f68 h ARG 781 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1f68 h ARG 781 CO -0.03 0.22 0.07 1.25 -1.07 0.00 0.00 179.97 180.42 1f68 h LEU 782 N 0.35 0.13 -0.82 3.04 5.85 -0.12 0.51 115.31 124.25 1f68 h LEU 782 Ca 0.19 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.04 1f68 h LEU 782 Cb 0.15 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.05 1f68 h LEU 782 CO -0.17 0.12 0.39 0.03 -0.34 0.00 0.00 178.44 178.46 1f68 h ARG 783 N 0.14 0.53 -0.33 1.25 3.08 -0.56 0.18 114.38 118.66 1f68 h ARG 783 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1f68 h ARG 783 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1f68 h ARG 783 CO -0.01 0.35 0.00 0.43 -1.07 0.00 0.00 179.97 179.67 1f68 n SER 784 N -4.93 0.33 -3.13 7.04 7.64 0.04 -4.87 113.62 115.75 1f68 n SER 784 Ca 0.17 -1.93 -0.22 0.00 1.01 0.00 0.00 58.87 57.90 1f68 n SER 784 Cb 0.45 -0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.50 1f68 n SER 784 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f68 n ARG 785 N -0.32 -4.15 -0.08 1.43 5.12 0.63 -4.89 116.66 114.40 1f68 n ARG 785 Ca 0.00 0.72 -0.10 0.00 -1.93 0.00 0.00 57.85 56.55 1f68 n ARG 785 Cb 0.08 -5.51 -0.02 0.00 -1.16 0.00 0.00 32.46 25.85 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1f68 h TYR 786 N -1.15 0.38 -0.19 -1.55 5.03 -1.11 -3.34 116.97 115.05 1f68 h TYR 786 Ca -0.48 -0.01 -0.70 0.00 2.58 0.00 0.00 58.73 60.12 1f68 h TYR 786 Cb 1.33 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.45 1f68 h TYR 786 CO 0.59 0.31 3.21 0.66 -1.32 0.00 0.00 178.16 181.62 1f68 n TYR 787 N -4.83 3.11 0.31 -3.82 4.01 -1.26 -4.69 117.16 109.99 1f68 n TYR 787 Ca -0.02 -2.99 0.21 0.00 -0.16 0.00 0.00 57.90 54.94 1f68 n TYR 787 Cb 0.07 -2.45 1.10 0.00 -0.31 0.00 0.00 39.34 37.75 1f68 n TYR 787 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1f68 h VAL 788 N 3.62 0.00 -3.95 -0.72 -1.51 -1.99 -3.41 116.25 108.29 1f68 h VAL 788 Ca 0.65 -0.04 -0.30 0.00 -1.23 0.00 0.00 66.70 65.78 1f68 h VAL 788 Cb 0.52 0.96 -0.24 0.00 -2.13 0.00 0.00 31.29 30.40 1f68 h VAL 788 CO 1.82 0.00 -0.75 0.42 -1.23 0.00 0.00 177.57 177.83 1f68 s THR 789 N -4.02 0.54 0.38 7.19 -4.23 -1.26 -5.03 115.64 109.20 1f68 s THR 789 Ca -0.04 -0.78 0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1f68 s THR 789 Cb 0.12 -0.55 0.33 0.00 1.34 0.00 0.00 72.50 73.74 1f68 s THR 789 CO 0.39 -0.18 1.89 -0.09 -0.54 0.00 0.00 174.62 176.09 1f68 h ARG 790 N 5.05 0.57 -0.57 3.99 2.43 -1.98 -1.49 114.38 122.38 1f68 h ARG 790 Ca -0.33 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1f68 h ARG 790 Cb 1.20 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.52 1f68 h ARG 790 CO 0.44 0.38 -0.02 0.87 -1.51 0.00 0.00 179.97 180.13 1f68 h LYS 791 N 0.58 0.10 -0.68 0.20 1.79 -1.96 0.91 116.57 117.52 1f68 h LYS 791 Ca 0.41 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.84 1f68 h LYS 791 Cb 0.74 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 1f68 h LYS 791 CO -0.16 0.06 0.28 -0.07 -1.08 0.00 0.00 179.45 178.48 1f68 h LEU 792 N 0.10 0.93 0.18 2.94 3.38 -1.66 0.92 115.31 122.11 1f68 h LEU 792 Ca 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1f68 h LEU 792 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1f68 h LEU 792 CO -0.50 0.84 -0.16 0.15 0.09 0.00 0.00 178.44 178.87 1f68 h PHE 793 N 0.96 -0.41 -0.10 1.13 3.04 -1.16 0.41 116.94 120.81 1f68 h PHE 793 Ca 0.23 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.22 1f68 h PHE 793 Cb 0.19 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 1f68 h PHE 793 CO 0.01 -0.24 -0.21 0.28 -2.02 0.00 0.00 178.31 176.13 1f68 h VAL 794 N -0.36 0.49 -0.18 1.41 2.07 -0.63 0.47 116.25 119.52 1f68 h VAL 794 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1f68 h VAL 794 Cb 0.33 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1f68 h VAL 794 CO -0.03 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.42 1f68 h ALA 795 N 0.69 -0.01 -0.45 1.67 0.00 -0.60 0.68 119.26 121.23 1f68 h ALA 795 Ca 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1f68 h ALA 795 Cb 0.41 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1f68 h ALA 795 CO -0.26 -0.58 0.25 -0.44 0.00 0.00 0.00 179.25 178.22 1f68 h ASP 796 N -0.15 0.56 -0.40 0.00 5.19 -0.60 1.00 116.42 122.02 1f68 h ASP 796 Ca 0.11 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1f68 h ASP 796 Cb 0.31 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 1f68 h ASP 796 CO -0.27 0.49 0.16 0.25 -3.12 0.00 0.00 179.24 176.74 1f68 h LEU 797 N 0.59 0.55 -0.78 1.55 6.46 -0.47 0.32 115.31 123.53 1f68 h LEU 797 Ca 0.16 -0.17 0.14 0.00 -0.12 0.00 0.00 57.88 57.89 1f68 h LEU 797 Cb 0.05 -0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 39.74 1f68 h LEU 797 CO -0.03 0.57 0.34 1.56 -0.62 0.00 0.00 178.44 180.26 1f68 h GLN 798 N 0.50 0.48 -0.10 1.25 1.08 -0.65 0.80 115.11 118.47 1f68 h GLN 798 Ca 0.13 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1f68 h GLN 798 Cb 0.19 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1f68 h GLN 798 CO -0.01 0.32 -0.16 -0.09 -0.95 0.00 0.00 178.83 177.94 1f68 h ARG 799 N 0.50 0.16 -0.01 1.46 2.43 0.92 0.17 114.38 120.01 1f68 h ARG 799 Ca 0.42 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1f68 h ARG 799 Cb 0.62 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1f68 h ARG 799 CO -0.39 0.32 0.00 0.28 -1.51 0.00 0.00 179.97 178.68 1f68 h VAL 800 N 0.15 1.13 -0.56 0.20 2.07 0.17 0.26 116.25 119.67 1f68 h VAL 800 Ca 0.03 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1f68 h VAL 800 Cb 0.38 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1f68 h VAL 800 CO 0.02 0.10 0.30 0.40 0.02 0.00 0.00 177.57 178.41 1f68 h ILE 801 N -0.15 0.98 0.02 4.57 2.04 -0.38 -0.28 117.51 124.30 1f68 h ILE 801 Ca 0.00 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1f68 h ILE 801 Cb 0.16 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1f68 h ILE 801 CO -0.00 0.11 -0.16 0.00 0.00 0.00 0.00 178.15 178.10 1f68 h ALA 802 N 1.29 -0.20 -0.56 1.87 0.00 -0.57 -1.40 119.26 119.70 1f68 h ALA 802 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1f68 h ALA 802 Cb 0.13 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1f68 h ALA 802 CO -0.15 -0.65 -0.43 -0.91 0.00 0.00 0.00 179.25 177.10 1f68 h ASN 803 N -0.27 -1.47 -0.06 0.00 -0.26 0.23 0.27 115.58 114.02 1f68 h ASN 803 Ca 0.05 0.24 0.03 0.00 -0.56 0.00 0.00 56.30 56.06 1f68 h ASN 803 Cb 0.32 0.67 -0.06 0.00 -1.06 0.00 0.00 38.32 38.19 1f68 h ASN 803 CO -0.14 -0.34 -0.44 0.00 -1.06 0.00 0.00 177.43 175.45 1f68 h ARG 805 N -0.56 0.00 0.17 0.00 3.08 -0.34 0.16 114.38 116.90 1f68 h ARG 805 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1f68 h ARG 805 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1f68 h ARG 805 CO -0.36 0.25 -0.08 0.93 -1.07 0.00 0.00 179.97 179.63 1f68 h GLU 806 N 0.00 -0.23 -0.18 0.04 5.08 -0.19 -3.37 114.58 115.74 1f68 h GLU 806 Ca -0.00 0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 1f68 h GLU 806 Cb 0.48 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1f68 h GLU 806 CO 0.03 0.13 -0.68 -0.92 -1.00 0.00 0.00 179.01 176.57 1f68 h TYR 807 N -0.62 0.93 -3.83 4.33 3.20 -0.45 -3.44 116.97 117.08 1f68 h TYR 807 Ca -0.02 -0.38 -0.68 0.00 3.14 0.00 0.00 58.73 60.78 1f68 h TYR 807 Cb 0.46 -0.16 -0.26 0.00 1.54 0.00 0.00 36.73 38.32 1f68 h TYR 807 CO 0.04 1.19 -0.79 -0.80 -1.64 0.00 0.00 178.16 176.16 1f68 s ASN 808 N -7.02 3.86 0.69 -2.11 0.01 0.52 -5.10 114.94 105.80 1f68 s ASN 808 Ca -0.09 -0.29 -0.14 0.00 -0.71 0.00 0.00 52.86 51.63 1f68 s ASN 808 Cb 0.10 -1.06 0.02 0.00 0.41 0.00 0.00 41.25 40.71 1f68 s ASN 808 CO 0.88 0.28 1.12 -2.16 -1.51 0.00 0.00 177.10 175.71 1f68 s PRO 809 N -0.32 2.58 0.26 -0.60 0.04 -1.26 -4.39 135.00 131.30 1f68 s PRO 809 Ca 0.03 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 1f68 s PRO 809 Cb -0.13 -1.92 0.36 0.00 0.04 0.00 0.00 34.50 32.85 1f68 s PRO 809 CO 0.02 -1.42 1.56 -1.35 0.04 0.00 0.00 177.00 175.85 1f68 h PRO 810 N -0.27 -0.00 -5.23 0.56 0.11 -1.97 -2.74 132.00 122.47 1f68 h PRO 810 Ca -0.46 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.09 1f68 h PRO 810 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1f68 h PRO 810 CO 0.53 -0.00 1.96 -3.47 -0.21 0.00 0.00 178.00 176.81 1f68 n ASP 811 N -5.56 3.73 -3.74 -2.05 2.03 -1.26 -4.43 116.55 105.28 1f68 n ASP 811 Ca 0.13 -2.79 -0.14 0.00 0.52 0.00 0.00 54.79 52.52 1f68 n ASP 811 Cb 0.45 -1.63 -0.09 0.00 -0.72 0.00 0.00 41.12 39.14 1f68 n ASP 811 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1f68 s SER 812 N 5.00 -0.26 0.37 1.67 1.04 -1.03 -5.01 113.70 115.47 1f68 s SER 812 Ca 0.59 0.23 0.11 0.00 0.48 0.00 0.00 55.95 57.36 1f68 s SER 812 Cb 0.06 0.40 0.89 0.00 0.10 0.00 0.00 66.02 67.46 1f68 s SER 812 CO 0.08 -0.42 1.85 -0.33 0.98 0.00 0.00 173.24 175.41 1f68 h GLU 813 N 4.03 0.60 0.74 4.02 5.08 -1.90 -0.25 114.58 126.89 1f68 h GLU 813 Ca -0.29 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1f68 h GLU 813 Cb 1.17 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1f68 h GLU 813 CO 0.38 0.39 -0.36 1.88 -1.00 0.00 0.00 179.01 180.31 1f68 h TYR 814 N 0.61 -0.92 -0.30 4.33 -1.99 -1.94 0.24 116.97 117.00 1f68 h TYR 814 Ca 0.48 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 61.22 1f68 h TYR 814 Cb 0.89 0.30 -0.04 0.00 2.00 0.00 0.00 36.73 39.89 1f68 h TYR 814 CO -0.00 -0.57 0.08 0.00 -0.00 0.00 0.00 178.16 177.66 1f68 h ARG 816 N 0.19 0.16 -0.43 0.00 3.08 -1.03 0.17 114.38 116.52 1f68 h ARG 816 Ca 0.14 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1f68 h ARG 816 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1f68 h ARG 816 CO -0.17 0.10 0.27 0.00 -1.07 0.00 0.00 179.97 179.10 1f68 h ALA 818 N 1.17 1.23 -0.35 0.00 0.00 -0.20 0.76 119.26 121.87 1f68 h ALA 818 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1f68 h ALA 818 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1f68 h ALA 818 CO -0.06 0.62 0.10 0.77 0.00 0.00 0.00 179.25 180.68 1f68 h SER 819 N 1.17 0.52 -0.23 0.00 0.02 0.03 0.23 113.55 115.29 1f68 h SER 819 Ca 0.30 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1f68 h SER 819 Cb 0.02 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1f68 h SER 819 CO -0.05 0.60 -0.04 0.00 -1.14 0.00 0.00 176.83 176.20 1f68 h ALA 820 N 0.94 0.17 -0.46 3.77 0.00 -0.50 -0.57 119.26 122.60 1f68 h ALA 820 Ca 0.11 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1f68 h ALA 820 Cb 0.27 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1f68 h ALA 820 CO -0.00 -0.46 0.11 1.25 0.00 0.00 0.00 179.25 180.15 1f68 h LEU 821 N 0.02 0.04 0.54 0.00 5.85 -0.52 0.38 115.31 121.62 1f68 h LEU 821 Ca 0.11 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1f68 h LEU 821 Cb 0.16 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1f68 h LEU 821 CO -0.22 0.06 -0.49 -0.08 -0.34 0.00 0.00 178.44 177.37 1f68 h GLU 822 N 0.25 -0.98 0.06 1.25 4.81 -0.14 0.17 114.58 120.01 1f68 h GLU 822 Ca 0.23 0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1f68 h GLU 822 Cb 0.28 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1f68 h GLU 822 CO -0.28 -0.65 -0.09 0.87 -0.73 0.00 0.00 179.01 178.13 1f68 h LYS 823 N -1.02 -0.17 -0.45 1.92 6.56 -0.84 1.00 116.57 123.57 1f68 h LYS 823 Ca -0.07 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.63 1f68 h LYS 823 Cb 0.87 0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 32.49 1f68 h LYS 823 CO -0.04 -0.12 -0.14 0.35 -2.06 0.00 0.00 179.45 177.45 1f68 h PHE 824 N -0.18 -0.31 -0.36 -1.35 3.57 -0.87 0.60 116.94 118.04 1f68 h PHE 824 Ca 0.01 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1f68 h PHE 824 Cb 0.19 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1f68 h PHE 824 CO -0.12 -0.22 0.16 0.35 -2.23 0.00 0.00 178.31 176.25 1f68 h PHE 825 N -0.03 0.29 -0.40 0.41 3.57 -0.27 0.33 116.94 120.83 1f68 h PHE 825 Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1f68 h PHE 825 Cb 0.36 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1f68 h PHE 825 CO -0.41 0.14 0.14 1.88 -2.23 0.00 0.00 178.31 177.84 1f68 h TYR 826 N 0.33 0.56 0.62 0.41 0.05 0.40 0.23 116.97 119.57 1f68 h TYR 826 Ca 0.15 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1f68 h TYR 826 Cb 0.09 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 37.66 1f68 h TYR 826 CO -0.12 0.45 -0.30 0.74 -1.05 0.00 0.00 178.16 177.89 1f68 h PHE 827 N 0.56 -0.77 -0.77 4.88 0.04 -0.34 -3.26 116.94 117.28 1f68 h PHE 827 Ca 0.14 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.99 1f68 h PHE 827 Cb 0.14 0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 1f68 h PHE 827 CO 0.01 -0.44 0.50 0.87 -0.60 0.00 0.00 178.31 178.65 1f68 h LYS 828 N -0.98 0.64 -0.75 1.51 1.57 -0.08 -0.36 116.57 118.11 1f68 h LYS 828 Ca -0.09 -0.04 0.20 0.00 -1.87 0.00 0.00 60.65 58.85 1f68 h LYS 828 Cb 0.68 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1f68 h LYS 828 CO 0.14 0.42 0.53 -0.07 -0.57 0.00 0.00 179.45 179.90 1f68 h LEU 829 N 0.66 0.13 -1.04 2.94 3.38 -0.62 0.28 115.31 121.04 1f68 h LEU 829 Ca 0.36 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1f68 h LEU 829 Cb 0.50 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1f68 h LEU 829 CO -0.13 0.06 -0.44 0.11 0.09 0.00 0.00 178.44 178.12 1f68 h LYS 830 N 0.14 0.08 0.01 1.13 1.57 -1.15 -3.15 116.57 115.18 1f68 h LYS 830 Ca 0.37 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1f68 h LYS 830 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1f68 h LYS 830 CO -0.05 0.51 -0.05 0.93 -0.57 0.00 0.00 179.45 180.21 1f68 h GLU 831 N 0.06 0.02 0.00 3.15 5.08 -0.63 -3.53 114.58 118.74 1f68 h GLU 831 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f68 h GLU 831 Cb 0.81 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1f68 h GLU 831 CO 0.06 0.93 0.00 0.41 -1.00 0.00 0.00 179.01 179.41