#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f68 h ASP 731 N 0.00 0.60 0.27 1.61 2.03 -2.05 0.65 116.42 119.53 1f68 h ASP 731 Ca 0.00 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 1f68 h ASP 731 Cb 0.00 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1f68 h ASP 731 CO 0.00 0.27 -0.13 1.56 -1.03 0.00 0.00 179.24 179.91 1f68 h GLN 732 N 0.62 -0.35 -0.23 4.15 7.50 -2.05 0.13 115.11 124.89 1f68 h GLN 732 Ca 0.48 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.67 1f68 h GLN 732 Cb 0.90 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.48 1f68 h GLN 732 CO -0.23 -0.21 0.10 1.25 -1.50 0.00 0.00 178.83 178.23 1f68 h LEU 733 N -0.38 0.13 -0.41 1.46 5.85 -1.68 0.12 115.31 120.41 1f68 h LEU 733 Ca -0.04 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1f68 h LEU 733 Cb 0.29 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1f68 h LEU 733 CO 0.06 0.11 0.12 0.22 -0.34 0.00 0.00 178.44 178.61 1f68 h TYR 734 N 0.22 0.20 -0.63 1.25 5.03 -0.72 0.85 116.97 123.17 1f68 h TYR 734 Ca 0.10 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.35 1f68 h TYR 734 Cb 0.04 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.27 1f68 h TYR 734 CO -0.11 0.06 0.09 1.15 -1.32 0.00 0.00 178.16 178.03 1f68 h THR 735 N 0.27 1.26 0.09 1.81 2.02 -0.36 0.14 112.91 118.14 1f68 h THR 735 Ca 0.20 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1f68 h THR 735 Cb 0.21 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1f68 h THR 735 CO -0.22 0.38 -0.17 0.74 0.37 0.00 0.00 175.52 176.62 1f68 h THR 736 N 0.97 0.61 -0.60 3.16 2.02 -0.02 0.50 112.91 119.56 1f68 h THR 736 Ca 0.19 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1f68 h THR 736 Cb 0.43 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1f68 h THR 736 CO 0.01 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.15 1f68 h LEU 737 N -0.32 0.45 -0.14 2.58 3.38 -0.53 0.12 115.31 120.85 1f68 h LEU 737 Ca 0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1f68 h LEU 737 Cb 0.34 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1f68 h LEU 737 CO -0.09 0.30 -0.01 0.50 0.09 0.00 0.00 178.44 179.22 1f68 h LYS 738 N 0.59 0.03 -0.56 1.13 3.64 -0.37 0.86 116.57 121.88 1f68 h LYS 738 Ca 0.27 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1f68 h LYS 738 Cb 0.18 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1f68 h LYS 738 CO -0.18 0.02 0.36 -0.91 -2.27 0.00 0.00 179.45 176.46 1f68 h ASN 739 N 0.03 0.60 0.67 4.20 2.35 -0.38 0.12 115.58 123.17 1f68 h ASN 739 Ca 0.06 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1f68 h ASN 739 Cb 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1f68 h ASN 739 CO -0.12 0.43 -0.46 0.25 -1.65 0.00 0.00 177.43 175.88 1f68 h LEU 740 N 0.72 -1.18 -0.09 1.61 5.85 0.39 -0.78 115.31 121.83 1f68 h LEU 740 Ca 0.21 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1f68 h LEU 740 Cb -0.05 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1f68 h LEU 740 CO -0.06 -0.68 0.05 0.25 -0.34 0.00 0.00 178.44 177.66 1f68 h LEU 741 N -1.07 0.09 -0.06 2.25 5.85 -0.76 -1.07 115.31 120.53 1f68 h LEU 741 Ca -0.08 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1f68 h LEU 741 Cb 0.88 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1f68 h LEU 741 CO 0.05 0.07 -0.26 0.00 -0.34 0.00 0.00 178.44 177.96 1f68 h ALA 742 N 1.04 -0.31 -0.01 1.25 0.00 -0.68 0.15 119.26 120.70 1f68 h ALA 742 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1f68 h ALA 742 Cb -0.01 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1f68 h ALA 742 CO -0.01 -0.74 -0.05 1.96 0.00 0.00 0.00 179.25 180.40 1f68 h GLN 743 N -0.37 -0.09 -0.38 0.00 4.20 -1.02 0.63 115.11 118.09 1f68 h GLN 743 Ca 0.08 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1f68 h GLN 743 Cb 0.48 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 1f68 h GLN 743 CO -0.27 -0.06 0.06 0.82 -0.67 0.00 0.00 178.83 178.71 1f68 h ILE 744 N -0.09 0.78 -0.60 2.54 2.04 -0.74 0.33 117.51 121.76 1f68 h ILE 744 Ca 0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1f68 h ILE 744 Cb 0.13 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1f68 h ILE 744 CO -0.06 0.03 0.33 0.11 0.00 0.00 0.00 178.15 178.56 1f68 h LYS 745 N 0.17 0.84 -0.90 2.37 1.57 -0.52 -2.82 116.57 117.29 1f68 h LYS 745 Ca 0.18 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1f68 h LYS 745 Cb 0.23 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1f68 h LYS 745 CO -0.26 0.63 0.58 0.77 -0.57 0.00 0.00 179.45 180.60 1f68 h SER 746 N 0.81 1.05 -2.62 0.86 0.02 0.03 -3.43 113.55 110.27 1f68 h SER 746 Ca 0.21 -0.04 -0.52 0.00 -0.84 0.00 0.00 61.79 60.60 1f68 h SER 746 Cb 0.04 -0.26 0.05 0.00 0.14 0.00 0.00 62.40 62.36 1f68 h SER 746 CO -0.03 0.78 1.05 -2.28 -1.14 0.00 0.00 176.83 175.20 1f68 s HIS 747 N -5.97 2.55 0.33 3.45 5.04 0.02 -4.87 115.29 115.83 1f68 s HIS 747 Ca -0.12 0.19 0.09 0.00 -1.54 0.00 0.00 55.06 53.69 1f68 s HIS 747 Cb 0.18 -4.13 0.98 0.00 0.04 0.00 0.00 32.58 29.64 1f68 s HIS 747 CO 0.81 -4.48 1.59 -1.35 -2.34 0.00 0.00 174.74 168.97 1f68 h PRO 748 N 7.70 0.06 -1.06 2.88 0.11 -1.86 0.12 132.00 139.95 1f68 h PRO 748 Ca -0.44 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.97 1f68 h PRO 748 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1f68 h PRO 748 CO 0.95 0.04 1.07 0.77 -0.21 0.00 0.00 178.00 180.62 1f68 h SER 749 N 0.06 0.00 -0.52 -2.05 0.02 -1.89 -0.10 113.55 109.07 1f68 h SER 749 Ca 0.69 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.70 1f68 h SER 749 Cb 1.59 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 1f68 h SER 749 CO -0.80 0.00 0.35 0.00 -1.14 0.00 0.00 176.83 175.23 1f68 h ALA 750 N 0.85 1.93 -0.90 3.77 0.00 -1.16 -3.37 119.26 120.37 1f68 h ALA 750 Ca 0.50 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.56 1f68 h ALA 750 Cb 2.64 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 20.17 1f68 h ALA 750 CO -0.01 -0.02 -0.27 -2.67 0.00 0.00 0.00 179.25 176.28 1f68 n TRP 751 N -4.47 0.21 0.27 0.00 4.27 -0.05 -0.45 117.44 117.22 1f68 n TRP 751 Ca 0.07 1.11 0.17 0.00 -3.89 0.00 0.00 57.50 54.96 1f68 n TRP 751 Cb 0.27 -0.95 0.68 0.00 -1.36 0.00 0.00 31.31 29.94 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 0.00 -0.33 -2.67 0.11 -1.86 -3.20 132.00 124.05 1f68 h PRO 752 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1f68 h PRO 752 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1f68 h PRO 752 CO -0.92 0.03 0.00 1.19 -0.21 0.00 0.00 178.00 178.09 1f68 n PHE 753 N -3.13 0.43 0.09 0.65 3.72 0.41 -4.72 117.46 114.91 1f68 n PHE 753 Ca 0.00 -0.48 -0.03 0.00 -0.05 0.00 0.00 57.45 56.89 1f68 n PHE 753 Cb 0.31 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.97 -0.22 -7.00 -1.08 2.86 -1.49 0.12 114.93 110.09 1f68 h MET 754 Ca 0.00 0.01 -0.50 0.00 -2.06 0.00 0.00 59.70 57.16 1f68 h MET 754 Cb 0.71 0.05 0.03 0.00 0.06 0.00 0.00 31.60 32.46 1f68 h MET 754 CO 0.00 -0.15 0.18 -1.21 1.06 0.00 0.00 176.91 176.79 1f68 s GLU 755 N -3.40 3.63 0.84 1.72 2.02 -1.26 -0.70 118.70 121.55 1f68 s GLU 755 Ca -0.03 0.40 -0.11 0.00 0.02 0.00 0.00 54.97 55.24 1f68 s GLU 755 Cb 0.00 -2.32 0.10 0.00 0.10 0.00 0.00 34.13 32.01 1f68 s GLU 755 CO 0.10 -0.23 1.09 -1.25 0.02 0.00 0.00 175.26 174.99 1f68 s PRO 756 N -4.56 1.72 -0.40 0.39 0.04 -1.26 -4.82 135.00 126.11 1f68 s PRO 756 Ca 0.50 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 1f68 s PRO 756 Cb -0.10 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1f68 s PRO 756 CO 0.42 -1.94 1.70 0.08 0.04 0.00 0.00 177.00 177.31 1f68 s VAL 757 N -2.97 3.57 0.59 -0.36 1.01 -1.26 -4.96 120.40 116.01 1f68 s VAL 757 Ca 0.62 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 1f68 s VAL 757 Cb -0.17 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1f68 s VAL 757 CO 0.56 -0.60 1.02 -0.54 0.00 0.00 0.00 175.10 175.54 1f68 s LYS 758 N 5.69 3.66 0.37 2.72 1.02 -1.26 -4.80 119.74 127.13 1f68 s LYS 758 Ca 0.73 0.87 0.07 0.00 0.02 0.00 0.00 55.97 57.66 1f68 s LYS 758 Cb -0.18 -2.09 0.78 0.00 -0.52 0.00 0.00 37.83 35.81 1f68 s LYS 758 CO 0.31 -0.52 1.94 0.87 -0.92 0.00 0.00 175.35 177.04 1f68 h LYS 759 N 0.15 0.70 -0.42 1.68 1.57 -1.92 0.18 116.57 118.50 1f68 h LYS 759 Ca -0.45 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1f68 h LYS 759 Cb 1.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1f68 h LYS 759 CO 0.61 0.46 0.29 0.66 -0.57 0.00 0.00 179.45 180.90 1f68 h SER 760 N 0.72 0.30 0.00 0.86 4.64 -1.99 -2.99 113.55 115.09 1f68 h SER 760 Ca 0.34 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.60 1f68 h SER 760 Cb 0.37 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1f68 h SER 760 CO -0.12 0.20 -0.35 -0.33 -0.87 0.00 0.00 176.83 175.36 1f68 h GLU 761 N 0.35 0.00 -1.13 4.77 5.08 -1.10 -3.46 114.58 119.08 1f68 h GLU 761 Ca 0.18 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1f68 h GLU 761 Cb 0.29 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.33 1f68 h GLU 761 CO -0.04 0.68 -0.48 0.00 -1.00 0.00 0.00 179.01 178.17 1f68 s ALA 762 N -2.38 -2.11 0.26 3.43 0.00 -0.07 -5.01 121.76 115.88 1f68 s ALA 762 Ca -0.17 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1f68 s ALA 762 Cb 0.00 -2.63 0.56 0.00 0.00 0.00 0.00 23.12 21.05 1f68 s ALA 762 CO 0.47 -2.19 1.68 -1.35 0.00 0.00 0.00 175.76 174.37 1f68 h PRO 763 N 7.05 0.30 -0.65 0.00 0.11 -1.73 -1.04 132.00 136.04 1f68 h PRO 763 Ca 0.05 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.33 1f68 h PRO 763 Cb 1.16 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1f68 h PRO 763 CO 0.12 0.20 0.56 0.38 -0.21 0.00 0.00 178.00 179.04 1f68 h ASP 764 N 0.31 0.00 -0.98 -2.05 2.03 -1.95 -0.40 116.42 113.37 1f68 h ASP 764 Ca 0.47 0.00 0.24 0.00 -0.73 0.00 0.00 57.03 57.02 1f68 h ASP 764 Cb 0.85 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.22 1f68 h ASP 764 CO -0.53 0.00 0.55 0.22 -1.03 0.00 0.00 179.24 178.45 1f68 h TYR 765 N 0.00 0.93 0.00 4.15 3.20 -1.55 0.11 116.97 123.82 1f68 h TYR 765 Ca 0.31 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1f68 h TYR 765 Cb 1.42 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1f68 h TYR 765 CO 0.00 0.03 0.00 1.88 -1.64 0.00 0.00 178.16 178.43 1f68 h TYR 766 N 0.53 0.00 0.20 -3.82 0.05 -1.27 0.27 116.97 112.93 1f68 h TYR 766 Ca 0.63 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 59.10 1f68 h TYR 766 Cb 1.21 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.97 1f68 h TYR 766 CO -0.03 0.00 -1.38 0.93 -1.05 0.00 0.00 178.16 176.62 1f68 h GLU 767 N 0.00 0.46 0.03 4.88 4.39 -0.97 -3.33 114.58 120.04 1f68 h GLU 767 Ca 0.00 -0.77 -0.04 0.00 0.34 0.00 0.00 59.36 58.89 1f68 h GLU 767 Cb 0.95 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1f68 h GLU 767 CO 0.00 1.37 -0.19 0.28 -1.16 0.00 0.00 179.01 179.31 1f68 h VAL 768 N 0.14 1.70 -3.69 3.13 2.07 -0.92 -3.40 116.25 115.28 1f68 h VAL 768 Ca -0.21 -2.29 -0.77 0.00 0.82 0.00 0.00 66.70 64.25 1f68 h VAL 768 Cb 2.08 3.24 -0.29 0.00 -1.52 0.00 0.00 31.29 34.81 1f68 h VAL 768 CO 0.25 0.61 0.11 -0.63 0.02 0.00 0.00 177.57 177.92 1f68 s ILE 769 N -2.45 5.35 0.48 4.57 -1.09 0.93 -4.88 121.20 124.10 1f68 s ILE 769 Ca -0.17 -2.89 0.13 0.00 -2.23 0.00 0.00 60.65 55.48 1f68 s ILE 769 Cb -0.02 -4.29 0.27 0.00 -1.58 0.00 0.00 42.46 36.83 1f68 s ILE 769 CO 0.72 -1.05 2.11 0.03 -1.23 0.00 0.00 174.94 175.52 1f68 h ARG 770 N 7.25 0.20 -2.75 2.79 -0.00 -1.80 -3.35 114.38 116.73 1f68 h ARG 770 Ca 0.11 -0.01 -0.66 0.00 -0.50 0.00 0.00 59.98 58.93 1f68 h ARG 770 Cb 0.97 -0.05 -0.39 0.00 0.00 0.00 0.00 29.97 30.51 1f68 h ARG 770 CO 0.82 0.14 -0.29 1.19 0.00 0.00 0.00 179.97 181.82 1f68 n PHE 771 N -4.51 3.53 -1.16 3.04 3.72 -1.26 -5.09 117.46 115.73 1f68 n PHE 771 Ca -0.01 -3.99 -0.30 0.00 -0.05 0.00 0.00 57.45 53.10 1f68 n PHE 771 Cb 0.08 -0.80 0.13 0.00 -0.94 0.00 0.00 39.48 37.96 1f68 n PHE 771 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1f68 s PRO 772 N -2.05 1.41 0.05 -1.08 0.04 -1.26 -5.00 135.00 127.11 1f68 s PRO 772 Ca 0.33 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1f68 s PRO 772 Cb 0.04 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.86 1f68 s PRO 772 CO -0.06 -2.18 0.90 -1.50 0.04 0.00 0.00 177.00 174.21 1f68 s ILE 773 N -2.89 0.00 -0.20 0.56 1.10 -1.26 -5.07 121.20 113.44 1f68 s ILE 773 Ca 0.63 -0.20 -0.36 0.00 -0.51 0.00 0.00 60.65 60.22 1f68 s ILE 773 Cb -0.18 -1.30 0.14 0.00 0.15 0.00 0.00 42.46 41.27 1f68 s ILE 773 CO 0.57 0.00 1.28 1.51 -2.11 0.00 0.00 174.94 176.19 1f68 s ASP 774 N -2.63 -0.08 0.22 4.50 1.47 -1.26 -4.79 116.67 114.09 1f68 s ASP 774 Ca 0.07 -0.01 -0.04 0.00 1.18 0.00 0.00 52.55 53.75 1f68 s ASP 774 Cb -0.01 0.10 0.20 0.00 -0.34 0.00 0.00 42.92 42.87 1f68 s ASP 774 CO -0.06 -0.16 1.64 -0.07 0.68 0.00 0.00 175.17 177.20 1f68 h LEU 775 N 2.00 0.77 -0.00 2.11 3.38 -0.61 0.11 115.31 123.06 1f68 h LEU 775 Ca -0.09 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1f68 h LEU 775 Cb 1.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1f68 h LEU 775 CO 0.22 0.97 -0.22 0.50 0.09 0.00 0.00 178.44 180.00 1f68 h LYS 776 N 0.66 -0.34 -0.71 1.13 3.11 -1.12 0.18 116.57 119.49 1f68 h LYS 776 Ca 0.09 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.00 1f68 h LYS 776 Cb 0.72 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.98 1f68 h LYS 776 CO 0.06 -0.22 0.43 1.15 -2.81 0.00 0.00 179.45 178.05 1f68 h THR 777 N -0.35 1.05 -0.92 1.00 2.02 -1.68 0.09 112.91 114.12 1f68 h THR 777 Ca 0.06 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1f68 h THR 777 Cb 0.43 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 1f68 h THR 777 CO -0.20 0.15 0.60 0.24 0.37 0.00 0.00 175.52 176.68 1f68 h MET 778 N 0.82 1.05 -0.43 6.66 2.86 -0.20 0.14 114.93 125.83 1f68 h MET 778 Ca 0.30 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1f68 h MET 778 Cb 0.08 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1f68 h MET 778 CO -0.14 0.69 0.20 1.15 1.06 0.00 0.00 176.91 179.87 1f68 h THR 779 N 1.08 1.18 -0.20 2.22 2.02 0.81 0.12 112.91 120.13 1f68 h THR 779 Ca 0.39 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1f68 h THR 779 Cb 0.16 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1f68 h THR 779 CO -0.14 0.20 -0.02 -0.33 0.37 0.00 0.00 175.52 175.59 1f68 h GLU 780 N 0.55 0.03 -0.30 6.66 5.08 -0.15 0.20 114.58 126.65 1f68 h GLU 780 Ca 0.15 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1f68 h GLU 780 Cb 0.14 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1f68 h GLU 780 CO -0.02 0.02 0.01 0.00 -1.00 0.00 0.00 179.01 178.03 1f68 h ARG 781 N 0.03 0.10 -0.06 2.33 3.08 -0.44 0.15 114.38 119.57 1f68 h ARG 781 Ca 0.10 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1f68 h ARG 781 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1f68 h ARG 781 CO -0.18 0.07 0.02 1.25 -1.07 0.00 0.00 179.97 180.05 1f68 h LEU 782 N 0.10 0.01 -1.37 3.04 5.85 -0.52 0.67 115.31 123.10 1f68 h LEU 782 Ca 0.14 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1f68 h LEU 782 Cb 0.18 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1f68 h LEU 782 CO -0.23 0.02 0.49 0.03 -0.34 0.00 0.00 178.44 178.41 1f68 h ARG 783 N 0.05 0.71 0.00 1.25 3.08 -0.55 0.57 114.38 119.49 1f68 h ARG 783 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1f68 h ARG 783 Cb 0.02 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1f68 h ARG 783 CO -0.03 0.47 0.00 0.43 -1.07 0.00 0.00 179.97 179.77 1f68 n SER 784 N -4.49 0.00 -3.20 7.04 7.64 0.50 -4.90 113.62 116.21 1f68 n SER 784 Ca 0.12 -1.21 -0.23 0.00 1.01 0.00 0.00 58.87 58.56 1f68 n SER 784 Cb 0.28 0.00 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 -1.14 -3.01 0.00 0.00 175.04 170.89 1f68 n ARG 785 N -0.89 -4.49 -0.27 1.43 0.63 0.19 -4.89 116.66 108.38 1f68 n ARG 785 Ca 0.18 0.74 -0.06 0.00 -0.92 0.00 0.00 57.85 57.79 1f68 n ARG 785 Cb 0.08 -5.55 0.05 0.00 0.45 0.00 0.00 32.46 27.50 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1f68 h TYR 786 N -1.31 1.06 0.00 -0.14 3.20 -1.12 -3.33 116.97 115.33 1f68 h TYR 786 Ca -0.50 -0.05 -0.58 0.00 3.14 0.00 0.00 58.73 60.74 1f68 h TYR 786 Cb 1.34 -0.33 0.02 0.00 1.54 0.00 0.00 36.73 39.30 1f68 h TYR 786 CO 0.58 0.78 2.89 0.66 -1.64 0.00 0.00 178.16 181.43 1f68 n TYR 787 N -4.41 2.16 0.28 -3.82 4.01 -1.26 -4.64 117.16 109.49 1f68 n TYR 787 Ca 0.06 -2.36 0.14 0.00 -0.16 0.00 0.00 57.90 55.59 1f68 n TYR 787 Cb 0.14 -2.03 0.80 0.00 -0.31 0.00 0.00 39.34 37.94 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 3.75 0.46 -4.00 -0.72 -1.51 -1.98 -3.41 116.25 108.85 1f68 h VAL 788 Ca 0.57 -0.40 -0.37 0.00 -1.23 0.00 0.00 66.70 65.27 1f68 h VAL 788 Cb 0.42 1.27 -0.26 0.00 -2.13 0.00 0.00 31.29 30.59 1f68 h VAL 788 CO 1.75 0.08 -0.77 0.42 -1.23 0.00 0.00 177.57 177.82 1f68 s THR 789 N -4.22 0.70 0.40 7.19 -4.23 -1.26 -5.04 115.64 109.18 1f68 s THR 789 Ca -0.03 -0.62 0.14 0.00 -1.18 0.00 0.00 61.69 60.00 1f68 s THR 789 Cb 0.13 -0.64 0.36 0.00 1.34 0.00 0.00 72.50 73.69 1f68 s THR 789 CO 0.56 0.03 1.86 -0.09 -0.54 0.00 0.00 174.62 176.44 1f68 h ARG 790 N 5.45 0.49 -0.91 3.99 2.43 -1.97 -0.95 114.38 122.91 1f68 h ARG 790 Ca -0.33 -0.03 0.25 0.00 -0.81 0.00 0.00 59.98 59.07 1f68 h ARG 790 Cb 1.19 -0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 30.48 1f68 h ARG 790 CO 0.47 0.33 0.32 -0.22 -1.51 0.00 0.00 179.97 179.35 1f68 h LYS 791 N 0.51 0.24 -0.50 0.20 3.11 -1.96 0.24 116.57 118.40 1f68 h LYS 791 Ca 0.45 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 58.22 1f68 h LYS 791 Cb 0.98 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.13 1f68 h LYS 791 CO -0.19 0.16 0.08 -0.07 -2.81 0.00 0.00 179.45 176.61 1f68 h LEU 792 N 0.24 0.74 -0.10 5.20 3.38 -1.56 0.17 115.31 123.39 1f68 h LEU 792 Ca 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 1f68 h LEU 792 Cb 1.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1f68 h LEU 792 CO -0.64 0.76 -0.01 0.15 0.09 0.00 0.00 178.44 178.79 1f68 h PHE 793 N 0.75 0.20 -0.62 1.13 3.04 -0.72 -0.17 116.94 120.54 1f68 h PHE 793 Ca 0.16 -0.04 0.09 0.00 3.98 0.00 0.00 57.97 62.17 1f68 h PHE 793 Cb 0.35 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 38.74 1f68 h PHE 793 CO 0.02 0.45 0.25 0.28 -2.02 0.00 0.00 178.31 177.29 1f68 h VAL 794 N -0.11 0.78 0.48 1.41 2.07 -0.60 0.15 116.25 120.44 1f68 h VAL 794 Ca 0.03 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1f68 h VAL 794 Cb 0.37 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1f68 h VAL 794 CO 0.01 0.08 -0.25 0.00 0.02 0.00 0.00 177.57 177.42 1f68 h ALA 795 N 1.42 -0.68 -0.29 1.67 0.00 -0.54 -1.04 119.26 119.81 1f68 h ALA 795 Ca 0.31 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1f68 h ALA 795 Cb 0.38 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1f68 h ALA 795 CO -0.30 -0.89 0.13 -0.44 0.00 0.00 0.00 179.25 177.75 1f68 h ASP 796 N -0.68 0.18 -0.11 0.00 5.19 -0.49 0.16 116.42 120.67 1f68 h ASP 796 Ca -0.06 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1f68 h ASP 796 Cb 0.54 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1f68 h ASP 796 CO 0.09 0.14 0.07 0.25 -3.12 0.00 0.00 179.24 176.66 1f68 h LEU 797 N 0.28 0.11 -0.89 1.55 7.12 -0.71 0.19 115.31 122.95 1f68 h LEU 797 Ca 0.12 -0.00 0.12 0.00 0.13 0.00 0.00 57.88 58.26 1f68 h LEU 797 Cb 0.06 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.08 1f68 h LEU 797 CO -0.10 0.08 0.51 1.56 -0.13 0.00 0.00 178.44 180.37 1f68 h GLN 798 N 0.14 0.77 -0.62 1.25 4.20 -0.92 -1.53 115.11 118.39 1f68 h GLN 798 Ca 0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1f68 h GLN 798 Cb -0.01 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1f68 h GLN 798 CO -0.02 0.51 0.17 -0.09 -0.67 0.00 0.00 178.83 178.73 1f68 h ARG 799 N 0.79 0.96 0.02 1.46 2.43 0.11 0.19 114.38 120.34 1f68 h ARG 799 Ca 0.46 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1f68 h ARG 799 Cb 0.52 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1f68 h ARG 799 CO -0.30 0.84 -0.26 0.28 -1.51 0.00 0.00 179.97 179.03 1f68 h VAL 800 N 0.93 0.42 0.36 0.20 2.07 0.26 0.16 116.25 120.63 1f68 h VAL 800 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1f68 h VAL 800 Cb 0.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1f68 h VAL 800 CO -0.00 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.75 1f68 h ILE 801 N -0.41 0.51 -0.02 4.57 2.04 -0.90 0.22 117.51 123.52 1f68 h ILE 801 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1f68 h ILE 801 Cb 0.48 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1f68 h ILE 801 CO -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.66 1f68 h ALA 802 N 0.03 -0.37 -0.43 1.87 0.00 -0.51 0.39 119.26 120.24 1f68 h ALA 802 Ca -0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1f68 h ALA 802 Cb 0.49 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1f68 h ALA 802 CO 0.02 -0.78 0.05 -0.91 0.00 0.00 0.00 179.25 177.64 1f68 h ASN 803 N -0.41 -0.07 -0.08 0.00 4.21 -0.56 0.27 115.58 118.93 1f68 h ASN 803 Ca 0.07 0.09 0.04 0.00 1.21 0.00 0.00 56.30 57.70 1f68 h ASN 803 Cb 0.51 0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.79 1f68 h ASN 803 CO -0.25 -0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 175.68 1f68 h ARG 805 N -0.29 0.32 0.12 0.00 3.08 -0.13 0.17 114.38 117.67 1f68 h ARG 805 Ca 0.08 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1f68 h ARG 805 Cb 0.41 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1f68 h ARG 805 CO -0.25 0.55 -0.06 0.93 -1.07 0.00 0.00 179.97 180.07 1f68 h GLU 806 N 0.29 -0.16 -0.05 0.04 5.08 -0.17 -3.34 114.58 116.27 1f68 h GLU 806 Ca 0.05 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 1f68 h GLU 806 Cb 0.59 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1f68 h GLU 806 CO 0.04 0.07 -0.67 -0.92 -1.00 0.00 0.00 179.01 176.53 1f68 h TYR 807 N -0.37 0.76 -3.19 4.33 3.20 -0.74 -3.45 116.97 117.51 1f68 h TYR 807 Ca -0.02 -0.38 -0.63 0.00 3.14 0.00 0.00 58.73 60.84 1f68 h TYR 807 Cb 0.30 -0.10 -0.14 0.00 1.54 0.00 0.00 36.73 38.33 1f68 h TYR 807 CO -0.00 1.19 -0.56 -0.80 -1.64 0.00 0.00 178.16 176.35 1f68 s ASN 808 N -6.86 5.70 0.38 -2.11 0.01 0.58 -5.08 114.94 107.55 1f68 s ASN 808 Ca -0.12 0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 51.94 1f68 s ASN 808 Cb 0.05 -1.90 -0.12 0.00 0.41 0.00 0.00 41.25 39.69 1f68 s ASN 808 CO 0.85 0.25 0.80 -2.65 -1.51 0.00 0.00 177.10 174.84 1f68 n PRO 809 N 3.04 0.96 -0.28 -0.60 -0.02 -1.26 -4.48 135.00 132.35 1f68 n PRO 809 Ca -0.17 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1f68 n PRO 809 Cb 0.53 -1.72 0.11 0.00 -0.02 0.00 0.00 33.50 32.39 1f68 n PRO 809 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1f68 h PRO 810 N 1.32 0.01 -5.69 0.52 0.11 -1.95 -2.78 132.00 123.53 1f68 h PRO 810 Ca -0.41 -0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.18 1f68 h PRO 810 Cb 1.37 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.41 1f68 h PRO 810 CO 0.56 0.01 1.69 0.34 -0.21 0.00 0.00 178.00 180.38 1f68 s ASP 811 N -5.23 6.02 0.03 -2.05 2.15 -1.26 -4.52 116.67 111.82 1f68 s ASP 811 Ca -0.14 -2.09 -0.15 0.00 0.43 0.00 0.00 52.55 50.60 1f68 s ASP 811 Cb 0.23 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.29 1f68 s ASP 811 CO 0.76 -2.03 0.33 -0.94 -0.17 0.00 0.00 175.17 173.12 1f68 s SER 812 N 5.25 -0.18 0.25 -0.34 1.04 -1.05 -5.01 113.70 113.66 1f68 s SER 812 Ca 0.60 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.90 1f68 s SER 812 Cb 0.02 0.37 0.37 0.00 0.10 0.00 0.00 66.02 66.87 1f68 s SER 812 CO 0.10 -0.60 1.85 -0.33 0.98 0.00 0.00 173.24 175.25 1f68 h GLU 813 N 3.28 0.98 0.10 4.02 3.07 -1.90 0.69 114.58 124.82 1f68 h GLU 813 Ca -0.31 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.51 1f68 h GLU 813 Cb 1.20 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 28.84 1f68 h GLU 813 CO 0.44 0.65 -0.39 1.88 -1.40 0.00 0.00 179.01 180.19 1f68 h TYR 814 N 1.01 -1.09 -0.64 4.33 -1.99 -1.95 0.18 116.97 116.81 1f68 h TYR 814 Ca 0.40 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 61.12 1f68 h TYR 814 Cb 0.21 0.47 -0.03 0.00 2.00 0.00 0.00 36.73 39.37 1f68 h TYR 814 CO -0.03 -0.49 0.25 0.00 -0.00 0.00 0.00 178.16 177.89 1f68 h ARG 816 N 0.91 0.07 -0.48 0.00 3.08 -0.76 0.86 114.38 118.06 1f68 h ARG 816 Ca 0.21 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.29 1f68 h ARG 816 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1f68 h ARG 816 CO -0.02 0.05 0.28 0.00 -1.07 0.00 0.00 179.97 179.21 1f68 h ALA 818 N 1.23 0.86 -0.32 0.00 0.00 -0.35 0.15 119.26 120.82 1f68 h ALA 818 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1f68 h ALA 818 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1f68 h ALA 818 CO -0.10 0.12 0.21 0.77 0.00 0.00 0.00 179.25 180.25 1f68 h SER 819 N 0.75 0.37 -0.26 0.00 0.02 0.01 0.26 113.55 114.70 1f68 h SER 819 Ca 0.27 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1f68 h SER 819 Cb 0.08 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1f68 h SER 819 CO -0.13 0.27 0.12 0.00 -1.14 0.00 0.00 176.83 175.95 1f68 h ALA 820 N 1.11 0.31 -0.56 3.77 0.00 -0.50 -0.37 119.26 123.02 1f68 h ALA 820 Ca 0.12 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1f68 h ALA 820 Cb -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1f68 h ALA 820 CO -0.03 -0.28 0.32 1.25 0.00 0.00 0.00 179.25 180.51 1f68 h LEU 821 N 0.26 0.49 0.39 0.00 5.85 -0.33 0.20 115.31 122.17 1f68 h LEU 821 Ca 0.11 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1f68 h LEU 821 Cb 0.05 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1f68 h LEU 821 CO -0.09 0.34 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.03 1f68 h GLU 822 N 0.61 -0.58 0.00 1.25 4.81 -0.17 0.25 114.58 120.76 1f68 h GLU 822 Ca 0.23 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1f68 h GLU 822 Cb 0.08 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1f68 h GLU 822 CO -0.13 -0.38 -0.04 -0.22 -0.73 0.00 0.00 179.01 177.51 1f68 h LYS 823 N -0.60 -0.07 -0.26 1.92 1.63 -0.84 0.41 116.57 118.76 1f68 h LYS 823 Ca -0.04 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1f68 h LYS 823 Cb 0.49 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.07 1f68 h LYS 823 CO 0.05 -0.04 -0.15 0.35 -3.45 0.00 0.00 179.45 176.20 1f68 h PHE 824 N -0.07 -0.37 -0.40 1.91 3.57 -0.87 -1.53 116.94 119.18 1f68 h PHE 824 Ca 0.02 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1f68 h PHE 824 Cb 0.09 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.95 1f68 h PHE 824 CO -0.11 -0.22 -0.16 0.35 -2.23 0.00 0.00 178.31 175.94 1f68 h PHE 825 N -0.13 -0.38 -0.97 0.41 3.57 -0.15 0.11 116.94 119.40 1f68 h PHE 825 Ca 0.14 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1f68 h PHE 825 Cb 0.34 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 1f68 h PHE 825 CO -0.33 -0.24 0.62 1.88 -2.23 0.00 0.00 178.31 178.02 1f68 h TYR 826 N -0.08 1.11 0.03 0.41 0.05 -0.11 0.23 116.97 118.62 1f68 h TYR 826 Ca 0.20 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 1f68 h TYR 826 Cb 0.38 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1f68 h TYR 826 CO -0.40 0.50 -0.01 0.74 -1.05 0.00 0.00 178.16 177.93 1f68 h PHE 827 N 1.02 -0.04 0.00 4.88 0.04 -0.26 -3.18 116.94 119.40 1f68 h PHE 827 Ca 0.46 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.21 1f68 h PHE 827 Cb 0.37 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1f68 h PHE 827 CO -0.00 0.11 -0.09 0.87 -0.60 0.00 0.00 178.31 178.60 1f68 h LYS 828 N -0.18 0.00 -0.92 1.51 1.79 0.95 0.10 116.57 119.82 1f68 h LYS 828 Ca -0.00 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.67 1f68 h LYS 828 Cb 0.16 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 1f68 h LYS 828 CO 0.01 0.09 0.61 -0.07 -1.08 0.00 0.00 179.45 179.00 1f68 h LEU 829 N 0.00 0.46 0.00 2.94 3.38 -0.61 -1.97 115.31 119.50 1f68 h LEU 829 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1f68 h LEU 829 Cb 0.20 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1f68 h LEU 829 CO 0.01 0.18 -0.14 0.11 0.09 0.00 0.00 178.44 178.69 1f68 h LYS 830 N 0.45 0.00 -3.33 1.13 6.56 -1.01 -3.40 116.57 116.97 1f68 h LYS 830 Ca 0.49 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 59.42 1f68 h LYS 830 Cb 1.15 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.83 1f68 h LYS 830 CO -0.20 0.31 3.56 0.39 -2.06 0.00 0.00 179.45 181.44 1f68 n GLU 831 N -4.70 3.32 -0.71 3.15 1.02 -0.11 -5.15 120.64 117.46 1f68 n GLU 831 Ca -0.05 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 1f68 n GLU 831 Cb 0.20 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72