#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 -0.18 -0.09 1.61 3.58 -2.00 0.79 116.42 120.13 1f68 h ASP 731 Ca 0.00 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1f68 h ASP 731 Cb 0.00 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1f68 h ASP 731 CO 0.00 -0.06 0.04 1.56 -2.88 0.00 0.00 179.24 177.90 1f68 h GLN 732 N 0.01 0.13 0.04 0.28 7.50 -2.03 0.84 115.11 121.88 1f68 h GLN 732 Ca 0.11 -0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.26 1f68 h GLN 732 Cb 0.16 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.62 1f68 h GLN 732 CO -0.22 0.23 -0.29 1.25 -1.50 0.00 0.00 178.83 178.30 1f68 h LEU 733 N -0.00 -0.85 -0.34 1.46 5.85 -1.92 0.12 115.31 119.62 1f68 h LEU 733 Ca 0.03 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1f68 h LEU 733 Cb 0.15 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1f68 h LEU 733 CO -0.00 -0.36 -0.04 0.22 -0.34 0.00 0.00 178.44 177.91 1f68 h TYR 734 N -0.46 -0.10 -0.68 1.25 3.20 -0.63 0.11 116.97 119.65 1f68 h TYR 734 Ca 0.05 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1f68 h TYR 734 Cb 0.53 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 1f68 h TYR 734 CO -0.30 -0.11 0.39 1.15 -1.64 0.00 0.00 178.16 177.66 1f68 h THR 735 N 0.05 1.00 -0.05 1.81 2.02 -0.47 0.13 112.91 117.39 1f68 h THR 735 Ca 0.17 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1f68 h THR 735 Cb 0.24 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1f68 h THR 735 CO -0.32 0.13 0.04 0.74 0.37 0.00 0.00 175.52 176.48 1f68 h THR 736 N 0.73 1.02 -0.88 3.16 2.02 0.40 0.11 112.91 119.47 1f68 h THR 736 Ca 0.30 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.47 1f68 h THR 736 Cb 0.15 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1f68 h THR 736 CO -0.17 0.02 0.56 -0.07 0.37 0.00 0.00 175.52 176.24 1f68 h LEU 737 N 0.06 0.93 -0.07 2.58 3.38 -0.26 0.19 115.31 122.12 1f68 h LEU 737 Ca 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1f68 h LEU 737 Cb 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1f68 h LEU 737 CO -0.00 0.62 0.04 0.50 0.09 0.00 0.00 178.44 179.69 1f68 h LYS 738 N 1.08 0.10 -0.75 1.13 3.64 -0.38 0.11 116.57 121.50 1f68 h LYS 738 Ca 0.36 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1f68 h LYS 738 Cb 0.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1f68 h LYS 738 CO -0.13 0.13 0.42 -0.91 -2.27 0.00 0.00 179.45 176.69 1f68 h ASN 739 N 0.04 0.94 0.27 4.20 2.35 -0.50 0.10 115.58 122.98 1f68 h ASN 739 Ca 0.03 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1f68 h ASN 739 Cb 0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1f68 h ASN 739 CO -0.00 0.76 -0.26 0.25 -1.65 0.00 0.00 177.43 176.52 1f68 h LEU 740 N 1.04 -0.70 -0.36 1.61 5.85 -0.40 -0.45 115.31 121.90 1f68 h LEU 740 Ca 0.27 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1f68 h LEU 740 Cb 0.03 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1f68 h LEU 740 CO -0.04 -0.38 -0.02 0.25 -0.34 0.00 0.00 178.44 177.91 1f68 h LEU 741 N -0.56 -0.19 -0.23 2.25 5.85 -0.50 0.53 115.31 122.47 1f68 h LEU 741 Ca -0.01 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1f68 h LEU 741 Cb 0.51 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1f68 h LEU 741 CO -0.05 -0.06 -0.12 0.00 -0.34 0.00 0.00 178.44 177.87 1f68 h ALA 742 N 1.32 0.06 -0.31 1.25 0.00 -0.57 0.89 119.26 121.91 1f68 h ALA 742 Ca 0.18 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1f68 h ALA 742 Cb 0.25 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f68 h ALA 742 CO -0.31 -0.54 0.18 1.96 0.00 0.00 0.00 179.25 180.53 1f68 h GLN 743 N -0.10 0.43 -0.16 0.00 4.20 -0.54 0.18 115.11 119.11 1f68 h GLN 743 Ca 0.13 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1f68 h GLN 743 Cb 0.29 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 1f68 h GLN 743 CO -0.29 0.35 -0.39 0.82 -0.67 0.00 0.00 178.83 178.65 1f68 h ILE 744 N 0.39 0.18 -0.87 2.54 2.04 -0.43 -0.82 117.51 120.53 1f68 h ILE 744 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1f68 h ILE 744 Cb 0.05 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1f68 h ILE 744 CO -0.02 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.76 1f68 h LYS 745 N -0.45 1.19 -0.84 2.37 1.57 -0.53 -2.55 116.57 117.33 1f68 h LYS 745 Ca 0.09 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1f68 h LYS 745 Cb 0.60 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1f68 h LYS 745 CO -0.41 0.84 0.45 0.77 -0.57 0.00 0.00 179.45 180.53 1f68 h SER 746 N 1.20 1.05 -2.75 0.86 0.02 -0.09 -3.43 113.55 110.43 1f68 h SER 746 Ca 0.31 -0.11 -0.52 0.00 -0.84 0.00 0.00 61.79 60.63 1f68 h SER 746 Cb -0.04 -0.27 0.06 0.00 0.14 0.00 0.00 62.40 62.29 1f68 h SER 746 CO -0.06 0.86 0.97 -2.28 -1.14 0.00 0.00 176.83 175.18 1f68 s HIS 747 N -5.81 2.95 0.38 3.45 5.04 -0.37 -4.87 115.29 116.06 1f68 s HIS 747 Ca -0.13 0.45 0.12 0.00 -1.54 0.00 0.00 55.06 53.96 1f68 s HIS 747 Cb 0.16 -4.07 0.90 0.00 0.04 0.00 0.00 32.58 29.61 1f68 s HIS 747 CO 0.82 -4.00 1.88 -1.00 -2.34 0.00 0.00 174.74 170.09 1f68 h PRO 748 N 6.71 0.57 -1.54 2.88 0.13 -1.86 -0.00 132.00 138.89 1f68 h PRO 748 Ca -0.43 -0.03 0.45 0.00 -0.87 0.00 0.00 66.00 65.11 1f68 h PRO 748 Cb 1.20 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 1f68 h PRO 748 CO 0.94 0.38 1.23 0.77 -0.23 0.00 0.00 178.00 181.08 1f68 h SER 749 N 0.59 0.00 -0.11 1.44 0.02 -1.89 0.27 113.55 113.87 1f68 h SER 749 Ca 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1f68 h SER 749 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1f68 h SER 749 CO -0.19 0.00 0.05 0.00 -1.14 0.00 0.00 176.83 175.55 1f68 h ALA 750 N 0.99 1.80 -0.96 3.77 0.00 -1.20 -3.38 119.26 120.29 1f68 h ALA 750 Ca 0.73 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.79 1f68 h ALA 750 Cb 3.18 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 20.72 1f68 h ALA 750 CO -0.01 0.16 -0.19 -2.67 0.00 0.00 0.00 179.25 176.55 1f68 n TRP 751 N -4.46 0.40 0.26 0.00 4.27 0.08 -0.96 117.44 117.04 1f68 n TRP 751 Ca -0.01 1.17 0.14 0.00 -3.89 0.00 0.00 57.50 54.92 1f68 n TRP 751 Cb 0.12 -1.09 0.67 0.00 -1.36 0.00 0.00 31.31 29.65 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 -0.42 -2.67 0.11 -1.84 -3.13 132.00 124.04 1f68 h PRO 752 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1f68 h PRO 752 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1f68 h PRO 752 CO -0.97 0.10 0.00 1.19 -0.21 0.00 0.00 178.00 178.11 1f68 n PHE 753 N -3.31 0.56 0.10 0.65 3.72 -0.13 -4.72 117.46 114.33 1f68 n PHE 753 Ca -0.00 -0.48 -0.05 0.00 -0.05 0.00 0.00 57.45 56.87 1f68 n PHE 753 Cb 0.31 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 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 2.55 -0.29 -6.64 -1.08 2.86 -1.49 0.02 114.93 110.86 1f68 h MET 754 Ca 0.00 0.02 -0.50 0.00 -2.06 0.00 0.00 59.70 57.16 1f68 h MET 754 Cb 0.78 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1f68 h MET 754 CO 0.00 -0.19 -0.04 -1.21 1.06 0.00 0.00 176.91 176.52 1f68 s GLU 755 N -3.76 3.64 0.42 1.72 0.41 -1.26 -0.49 118.70 119.39 1f68 s GLU 755 Ca -0.05 0.12 -0.26 0.00 -0.41 0.00 0.00 54.97 54.37 1f68 s GLU 755 Cb 0.01 -2.54 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 1f68 s GLU 755 CO 0.16 0.09 1.42 -2.14 -0.49 0.00 0.00 175.26 174.29 1f68 s PRO 756 N -3.86 3.84 -0.07 0.39 0.02 -1.26 -4.81 135.00 129.25 1f68 s PRO 756 Ca 0.46 2.40 -0.29 0.00 0.02 0.00 0.00 61.00 63.59 1f68 s PRO 756 Cb -0.10 -2.75 -0.06 0.00 0.02 0.00 0.00 34.50 31.60 1f68 s PRO 756 CO 0.33 -0.69 1.86 0.08 -0.33 0.00 0.00 177.00 178.25 1f68 s VAL 757 N -1.19 3.29 0.39 3.83 1.01 -1.26 -4.94 120.40 121.53 1f68 s VAL 757 Ca 0.58 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.67 1f68 s VAL 757 Cb -0.43 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 1f68 s VAL 757 CO 0.56 -0.07 0.95 -0.54 0.00 0.00 0.00 175.10 176.01 1f68 s LYS 758 N 4.67 4.34 0.40 2.72 -0.14 -1.26 -4.88 119.74 125.59 1f68 s LYS 758 Ca 0.83 1.20 0.13 0.00 -1.36 0.00 0.00 55.97 56.77 1f68 s LYS 758 Cb -0.35 -2.39 0.95 0.00 -1.68 0.00 0.00 37.83 34.36 1f68 s LYS 758 CO 0.35 0.06 1.90 0.87 -0.76 0.00 0.00 175.35 177.78 1f68 h LYS 759 N 2.34 0.51 -0.23 1.68 1.57 -1.92 0.14 116.57 120.66 1f68 h LYS 759 Ca -0.48 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1f68 h LYS 759 Cb 1.19 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1f68 h LYS 759 CO 0.62 0.34 -0.03 0.66 -0.57 0.00 0.00 179.45 180.48 1f68 h SER 760 N 0.53 0.31 0.01 0.86 4.64 -1.98 -1.96 113.55 115.97 1f68 h SER 760 Ca 0.39 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.65 1f68 h SER 760 Cb 0.77 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1f68 h SER 760 CO -0.15 0.40 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.81 1f68 h GLU 761 N 0.33 0.03 -1.71 4.77 5.08 -1.20 -3.45 114.58 118.43 1f68 h GLU 761 Ca 0.07 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 58.07 1f68 h GLU 761 Cb 0.27 0.02 -0.28 0.00 0.50 0.00 0.00 28.75 29.26 1f68 h GLU 761 CO 0.01 1.01 -0.66 0.00 -1.00 0.00 0.00 179.01 178.37 1f68 s ALA 762 N -2.27 -0.73 0.19 3.43 0.00 -0.06 -5.01 121.76 117.30 1f68 s ALA 762 Ca -0.18 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1f68 s ALA 762 Cb -0.03 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 21.01 1f68 s ALA 762 CO 0.70 -2.15 1.82 -1.00 0.00 0.00 0.00 175.76 175.13 1f68 h PRO 763 N 6.51 0.90 -1.52 0.00 0.13 -1.56 -0.74 132.00 135.72 1f68 h PRO 763 Ca 0.09 -0.09 0.48 0.00 -0.87 0.00 0.00 66.00 65.61 1f68 h PRO 763 Cb 1.06 -0.19 -0.11 0.00 0.13 0.00 0.00 31.00 31.89 1f68 h PRO 763 CO 0.18 0.65 1.03 0.38 -0.23 0.00 0.00 178.00 180.00 1f68 h ASP 764 N 0.90 0.15 -0.77 1.44 2.03 -1.95 0.40 116.42 118.62 1f68 h ASP 764 Ca 0.24 0.09 0.17 0.00 -0.73 0.00 0.00 57.03 56.80 1f68 h ASP 764 Cb -0.01 0.09 -0.11 0.00 -0.83 0.00 0.00 39.33 38.47 1f68 h ASP 764 CO -0.04 -0.14 0.22 0.22 -1.03 0.00 0.00 179.24 178.47 1f68 h TYR 765 N 0.04 0.36 0.00 4.15 5.03 -1.52 0.78 116.97 125.81 1f68 h TYR 765 Ca 0.86 0.04 0.00 0.00 2.58 0.00 0.00 58.73 62.21 1f68 h TYR 765 Cb 2.97 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 41.21 1f68 h TYR 765 CO -0.00 -0.07 -0.16 0.66 -1.32 0.00 0.00 178.16 177.27 1f68 n TYR 766 N -5.13 0.37 0.12 -3.82 4.02 0.13 -0.18 117.16 112.67 1f68 n TYR 766 Ca 0.16 0.11 -0.22 0.00 -0.01 0.00 0.00 57.90 57.93 1f68 n TYR 766 Cb 0.49 -0.62 -0.14 0.00 -0.02 0.00 0.00 39.34 39.04 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 0.52 0.01 -0.72 4.39 -0.91 -3.39 114.58 114.48 1f68 h GLU 767 Ca 0.00 -0.80 -0.00 0.00 0.34 0.00 0.00 59.36 58.90 1f68 h GLU 767 Cb 0.61 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1f68 h GLU 767 CO 0.00 1.37 -0.00 0.28 -1.16 0.00 0.00 179.01 179.50 1f68 h VAL 768 N 0.18 0.01 -2.49 3.13 2.07 -0.97 -3.44 116.25 114.74 1f68 h VAL 768 Ca -0.21 -1.00 -0.55 0.00 0.82 0.00 0.00 66.70 65.76 1f68 h VAL 768 Cb 2.04 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 1f68 h VAL 768 CO 0.25 0.00 0.99 -0.63 0.02 0.00 0.00 177.57 178.21 1f68 s ILE 769 N -1.60 3.82 0.31 4.57 -1.09 0.74 -4.87 121.20 123.09 1f68 s ILE 769 Ca -0.00 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1f68 s ILE 769 Cb -0.00 -4.87 0.18 0.00 -1.58 0.00 0.00 42.46 36.19 1f68 s ILE 769 CO 0.01 -1.76 1.88 0.03 -1.23 0.00 0.00 174.94 173.88 1f68 h ARG 770 N 9.92 0.73 -2.56 2.79 2.47 -1.86 -3.38 114.38 122.49 1f68 h ARG 770 Ca -0.28 -0.13 -0.61 0.00 -1.26 0.00 0.00 59.98 57.71 1f68 h ARG 770 Cb 1.05 -0.12 -0.42 0.00 -1.65 0.00 0.00 29.97 28.83 1f68 h ARG 770 CO 1.26 0.64 -0.57 1.19 0.56 0.00 0.00 179.97 183.05 1f68 n PHE 771 N -4.31 3.51 -1.64 3.04 3.72 -1.26 -5.10 117.46 115.42 1f68 n PHE 771 Ca 0.04 -4.21 -0.34 0.00 -0.05 0.00 0.00 57.45 52.89 1f68 n PHE 771 Cb 0.19 -0.60 0.07 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.08 2.51 0.00 -1.08 0.04 -1.26 -4.89 135.00 128.25 1f68 s PRO 772 Ca 0.34 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 1f68 s PRO 772 Cb 0.07 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.82 1f68 s PRO 772 CO -0.07 -1.51 0.91 -1.50 0.04 0.00 0.00 177.00 174.86 1f68 s ILE 773 N -2.11 0.00 0.03 0.56 1.10 -1.26 -5.06 121.20 114.46 1f68 s ILE 773 Ca 0.71 -0.05 -0.29 0.00 -0.51 0.00 0.00 60.65 60.51 1f68 s ILE 773 Cb -0.25 -1.09 0.10 0.00 0.15 0.00 0.00 42.46 41.37 1f68 s ILE 773 CO 0.42 0.00 1.13 1.51 -2.11 0.00 0.00 174.94 175.89 1f68 s ASP 774 N -2.51 -0.13 0.11 4.50 1.47 -1.26 -4.79 116.67 114.06 1f68 s ASP 774 Ca 0.06 -0.22 -0.15 0.00 1.18 0.00 0.00 52.55 53.42 1f68 s ASP 774 Cb -0.01 0.30 -0.04 0.00 -0.34 0.00 0.00 42.92 42.83 1f68 s ASP 774 CO -0.08 -0.54 1.54 -0.07 0.68 0.00 0.00 175.17 176.70 1f68 h LEU 775 N 2.00 0.66 -0.19 2.11 4.07 -0.93 0.89 115.31 123.92 1f68 h LEU 775 Ca -0.26 -0.33 0.05 0.00 0.08 0.00 0.00 57.88 57.42 1f68 h LEU 775 Cb 1.21 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.72 1f68 h LEU 775 CO 0.27 0.83 -0.13 0.50 -1.08 0.00 0.00 178.44 178.83 1f68 h LYS 776 N 0.47 -0.13 -0.31 1.13 3.64 -0.99 0.14 116.57 120.50 1f68 h LYS 776 Ca 0.10 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1f68 h LYS 776 Cb 0.52 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1f68 h LYS 776 CO 0.03 -0.09 0.08 1.15 -2.27 0.00 0.00 179.45 178.35 1f68 h THR 777 N -0.14 0.88 -0.64 1.00 2.02 -1.76 0.11 112.91 114.39 1f68 h THR 777 Ca 0.11 -0.07 0.13 0.00 0.77 0.00 0.00 66.41 67.35 1f68 h THR 777 Cb 0.30 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.27 1f68 h THR 777 CO -0.27 0.04 0.14 0.24 0.37 0.00 0.00 175.52 176.04 1f68 h MET 778 N 0.21 0.26 0.23 6.66 2.86 -0.21 0.69 114.93 125.63 1f68 h MET 778 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1f68 h MET 778 Cb 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1f68 h MET 778 CO -0.17 0.17 -0.11 1.15 1.06 0.00 0.00 176.91 179.01 1f68 h THR 779 N 0.27 0.81 -0.28 2.22 2.02 0.15 0.14 112.91 118.24 1f68 h THR 779 Ca 0.34 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.37 1f68 h THR 779 Cb 0.53 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1f68 h THR 779 CO -0.43 0.05 -0.01 -0.33 0.37 0.00 0.00 175.52 175.16 1f68 h GLU 780 N -0.41 0.07 -0.43 6.66 3.07 -0.63 0.53 114.58 123.44 1f68 h GLU 780 Ca -0.03 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1f68 h GLU 780 Cb 0.31 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 1f68 h GLU 780 CO 0.05 0.05 0.17 0.00 -1.40 0.00 0.00 179.01 177.88 1f68 h ARG 781 N 0.07 0.34 -0.18 2.33 3.08 -0.71 0.23 114.38 119.53 1f68 h ARG 781 Ca 0.13 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1f68 h ARG 781 Cb 0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1f68 h ARG 781 CO -0.23 0.23 0.10 1.25 -1.07 0.00 0.00 179.97 180.25 1f68 h LEU 782 N 0.35 0.16 -1.68 3.04 5.85 -0.14 0.47 115.31 123.37 1f68 h LEU 782 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1f68 h LEU 782 Cb 0.16 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1f68 h LEU 782 CO -0.18 0.12 0.21 0.03 -0.34 0.00 0.00 178.44 178.28 1f68 h ARG 783 N 0.21 0.43 0.00 1.25 3.08 -0.44 0.17 114.38 119.08 1f68 h ARG 783 Ca 0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1f68 h ARG 783 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1f68 h ARG 783 CO -0.04 0.29 0.00 0.43 -1.07 0.00 0.00 179.97 179.58 1f68 n SER 784 N -4.49 0.00 -3.79 7.04 7.64 0.76 -4.90 113.62 115.89 1f68 n SER 784 Ca 0.02 -1.76 -0.28 0.00 1.01 0.00 0.00 58.87 57.86 1f68 n SER 784 Cb 0.07 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.60 -6.43 0.29 1.43 1.74 0.60 -4.92 116.66 108.77 1f68 n ARG 785 Ca 0.05 0.69 -0.15 0.00 -0.77 0.00 0.00 57.85 57.67 1f68 n ARG 785 Cb 0.02 -5.63 -0.08 0.00 -1.02 0.00 0.00 32.46 25.75 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1f68 h TYR 786 N -2.31 -0.70 -0.23 -1.55 5.03 -1.12 -3.37 116.97 112.72 1f68 h TYR 786 Ca -0.58 -0.02 -0.70 0.00 2.58 0.00 0.00 58.73 60.01 1f68 h TYR 786 Cb 1.37 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.85 1f68 h TYR 786 CO 0.54 -0.37 3.23 0.66 -1.32 0.00 0.00 178.16 180.90 1f68 n TYR 787 N -5.32 3.01 0.04 -3.82 4.01 -1.26 -4.55 117.16 109.27 1f68 n TYR 787 Ca -0.11 -2.99 -0.11 0.00 -0.16 0.00 0.00 57.90 54.52 1f68 n TYR 787 Cb 0.33 -2.42 -0.08 0.00 -0.31 0.00 0.00 39.34 36.86 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 3.52 1.00 -3.46 -0.72 -1.51 -1.96 -3.44 116.25 109.68 1f68 h VAL 788 Ca 0.67 -1.19 -0.61 0.00 -1.23 0.00 0.00 66.70 64.34 1f68 h VAL 788 Cb 0.49 1.66 -0.11 0.00 -2.13 0.00 0.00 31.29 31.20 1f68 h VAL 788 CO 1.80 0.25 0.23 0.42 -1.23 0.00 0.00 177.57 179.04 1f68 s THR 789 N -3.54 4.93 0.38 7.19 -4.23 -1.26 -4.76 115.64 114.35 1f68 s THR 789 Ca -0.14 1.12 0.21 0.00 -1.18 0.00 0.00 61.69 61.70 1f68 s THR 789 Cb 0.00 -4.00 0.39 0.00 1.34 0.00 0.00 72.50 70.23 1f68 s THR 789 CO 0.53 -0.06 1.64 -0.09 -0.54 0.00 0.00 174.62 176.10 1f68 h ARG 790 N 7.97 0.19 -0.87 3.99 2.43 -1.98 -0.02 114.38 126.10 1f68 h ARG 790 Ca -0.26 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1f68 h ARG 790 Cb 1.11 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.53 1f68 h ARG 790 CO 0.81 0.13 0.47 0.87 -1.51 0.00 0.00 179.97 180.73 1f68 h LYS 791 N 0.20 0.65 -0.37 0.20 1.79 -1.98 0.16 116.57 117.22 1f68 h LYS 791 Ca 0.77 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 59.20 1f68 h LYS 791 Cb 2.04 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 32.53 1f68 h LYS 791 CO -0.55 0.43 0.21 -0.07 -1.08 0.00 0.00 179.45 178.39 1f68 h LEU 792 N 0.67 0.46 0.21 2.94 3.38 -1.40 0.30 115.31 121.87 1f68 h LEU 792 Ca 0.47 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.37 1f68 h LEU 792 Cb 0.64 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1f68 h LEU 792 CO -0.35 0.40 -0.28 0.15 0.09 0.00 0.00 178.44 178.45 1f68 h PHE 793 N 0.48 -0.75 -0.58 1.13 3.04 -1.09 0.63 116.94 119.80 1f68 h PHE 793 Ca 0.13 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.16 1f68 h PHE 793 Cb 0.04 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.79 1f68 h PHE 793 CO -0.03 -0.40 0.26 0.28 -2.02 0.00 0.00 178.31 176.40 1f68 h VAL 794 N -0.55 0.86 0.73 1.41 2.07 -0.57 0.20 116.25 120.39 1f68 h VAL 794 Ca 0.01 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1f68 h VAL 794 Cb 0.54 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1f68 h VAL 794 CO -0.10 0.09 -0.35 0.00 0.02 0.00 0.00 177.57 177.22 1f68 h ALA 795 N 1.36 -1.11 -0.75 1.67 0.00 -0.68 -1.92 119.26 117.83 1f68 h ALA 795 Ca 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f68 h ALA 795 Cb 0.27 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1f68 h ALA 795 CO -0.24 -1.04 0.46 -0.44 0.00 0.00 0.00 179.25 178.00 1f68 h ASP 796 N -1.11 0.90 0.28 0.00 3.32 -0.73 0.90 116.42 119.97 1f68 h ASP 796 Ca -0.10 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1f68 h ASP 796 Cb 0.75 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1f68 h ASP 796 CO 0.16 0.69 -0.34 0.25 -1.72 0.00 0.00 179.24 178.29 1f68 h LEU 797 N 1.03 -0.92 -1.74 1.55 7.12 -0.69 -1.87 115.31 119.78 1f68 h LEU 797 Ca 0.27 0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.40 1f68 h LEU 797 Cb -0.05 0.32 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 1f68 h LEU 797 CO -0.05 -0.46 0.23 1.56 -0.13 0.00 0.00 178.44 179.59 1f68 h GLN 798 N -0.66 0.32 0.00 1.25 4.20 -0.80 0.12 115.11 119.54 1f68 h GLN 798 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1f68 h GLN 798 Cb 0.62 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1f68 h GLN 798 CO -0.10 0.21 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.19 1f68 h ARG 799 N 0.33 0.00 -0.42 1.46 2.43 0.00 0.23 114.38 118.41 1f68 h ARG 799 Ca 0.14 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1f68 h ARG 799 Cb 0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1f68 h ARG 799 CO -0.03 0.00 0.03 0.28 -1.51 0.00 0.00 179.97 178.74 1f68 h VAL 800 N 0.00 1.25 -0.42 0.20 2.07 -0.48 0.21 116.25 119.09 1f68 h VAL 800 Ca -0.00 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1f68 h VAL 800 Cb 0.02 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1f68 h VAL 800 CO 0.00 0.33 0.12 0.40 0.02 0.00 0.00 177.57 178.44 1f68 h ILE 801 N 0.57 1.23 0.24 4.57 2.04 -0.69 0.43 117.51 125.90 1f68 h ILE 801 Ca 0.12 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1f68 h ILE 801 Cb 0.44 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1f68 h ILE 801 CO 0.02 0.27 -0.25 0.00 0.00 0.00 0.00 178.15 178.19 1f68 h ALA 802 N 0.97 -0.51 -0.61 1.87 0.00 -0.84 0.33 119.26 120.46 1f68 h ALA 802 Ca 0.13 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1f68 h ALA 802 Cb 0.29 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 1f68 h ALA 802 CO -0.00 -0.82 -0.45 -0.91 0.00 0.00 0.00 179.25 177.07 1f68 h ASN 803 N -0.53 -1.55 0.09 0.00 -0.26 -0.37 0.18 115.58 113.14 1f68 h ASN 803 Ca -0.00 0.25 0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1f68 h ASN 803 Cb 0.50 0.70 -0.04 0.00 -1.06 0.00 0.00 38.32 38.41 1f68 h ASN 803 CO -0.06 -0.33 -0.32 0.00 -1.06 0.00 0.00 177.43 175.66 1f68 h ARG 805 N -0.52 0.66 -0.34 0.00 2.47 -0.32 0.24 114.38 116.56 1f68 h ARG 805 Ca 0.04 -0.08 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 1f68 h ARG 805 Cb 0.57 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.70 1f68 h ARG 805 CO -0.21 0.53 -0.11 0.93 0.56 0.00 0.00 179.97 181.68 1f68 h GLU 806 N 0.61 -0.03 0.16 0.04 5.08 -0.49 -3.26 114.58 116.68 1f68 h GLU 806 Ca 0.16 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.20 1f68 h GLU 806 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1f68 h GLU 806 CO -0.02 -0.02 -1.60 -0.92 -1.00 0.00 0.00 179.01 175.44 1f68 h TYR 807 N -0.04 0.60 -3.29 4.33 3.20 -0.78 -3.47 116.97 117.51 1f68 h TYR 807 Ca 0.17 -0.44 -0.67 0.00 3.14 0.00 0.00 58.73 60.93 1f68 h TYR 807 Cb 0.29 -0.02 -0.15 0.00 1.54 0.00 0.00 36.73 38.38 1f68 h TYR 807 CO -0.33 1.50 -0.62 -0.80 -1.64 0.00 0.00 178.16 176.27 1f68 s ASN 808 N -7.15 5.27 0.47 -2.11 0.01 0.80 -5.10 114.94 107.13 1f68 s ASN 808 Ca -0.11 0.13 -0.22 0.00 -0.71 0.00 0.00 52.86 51.95 1f68 s ASN 808 Cb 0.06 -1.55 -0.10 0.00 0.41 0.00 0.00 41.25 40.08 1f68 s ASN 808 CO 0.86 0.35 0.85 -2.65 -1.51 0.00 0.00 177.10 175.00 1f68 n PRO 809 N 2.32 1.01 -0.29 -0.60 -0.02 -1.26 -4.60 135.00 131.57 1f68 n PRO 809 Ca -0.18 0.37 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1f68 n PRO 809 Cb 0.53 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.06 0.12 -0.83 0.52 0.11 -1.97 -0.46 132.00 130.55 1f68 h PRO 810 Ca -0.44 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1f68 h PRO 810 Cb 1.36 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.34 1f68 h PRO 810 CO 0.54 0.08 0.22 -3.47 -0.21 0.00 0.00 178.00 175.15 1f68 n ASP 811 N -5.33 4.07 -4.83 -2.05 2.03 -1.26 -4.25 116.55 104.93 1f68 n ASP 811 Ca 0.18 -2.91 -0.32 0.00 0.52 0.00 0.00 54.79 52.27 1f68 n ASP 811 Cb 0.60 -0.69 0.01 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.62 6.03 0.17 1.67 1.04 -0.18 -4.89 113.70 116.92 1f68 s SER 812 Ca 0.41 1.60 -0.15 0.00 0.48 0.00 0.00 55.95 58.29 1f68 s SER 812 Cb 0.33 -2.50 0.13 0.00 0.10 0.00 0.00 66.02 64.08 1f68 s SER 812 CO 0.10 -1.00 1.70 -0.33 0.98 0.00 0.00 173.24 174.69 1f68 h GLU 813 N 0.11 0.12 -0.37 4.02 4.39 -1.92 -0.04 114.58 120.90 1f68 h GLU 813 Ca -0.45 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.28 1f68 h GLU 813 Cb 1.20 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1f68 h GLU 813 CO 0.59 0.08 -0.34 1.88 -1.16 0.00 0.00 179.01 180.07 1f68 h TYR 814 N 0.13 -1.06 -0.57 4.33 -1.99 -1.93 0.14 116.97 116.02 1f68 h TYR 814 Ca 0.21 0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.99 1f68 h TYR 814 Cb 0.30 0.51 -0.03 0.00 2.00 0.00 0.00 36.73 39.51 1f68 h TYR 814 CO -0.27 -0.27 0.30 0.00 -0.00 0.00 0.00 178.16 177.93 1f68 h ARG 816 N 0.77 0.86 -0.43 0.00 3.08 -0.88 0.17 114.38 117.94 1f68 h ARG 816 Ca 0.20 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1f68 h ARG 816 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1f68 h ARG 816 CO -0.03 0.66 0.28 0.00 -1.07 0.00 0.00 179.97 179.80 1f68 h ALA 818 N 1.17 1.05 0.12 0.00 0.00 -0.14 0.14 119.26 121.61 1f68 h ALA 818 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1f68 h ALA 818 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1f68 h ALA 818 CO -0.05 0.38 -0.06 0.77 0.00 0.00 0.00 179.25 180.29 1f68 h SER 819 N 1.05 -0.14 -0.49 0.00 0.02 -0.17 0.21 113.55 114.02 1f68 h SER 819 Ca 0.31 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 1f68 h SER 819 Cb -0.04 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 1f68 h SER 819 CO -0.10 -0.09 0.14 0.00 -1.14 0.00 0.00 176.83 175.64 1f68 h ALA 820 N 0.69 0.58 -0.37 3.77 0.00 -0.51 -0.39 119.26 123.02 1f68 h ALA 820 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1f68 h ALA 820 Cb 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1f68 h ALA 820 CO 0.03 -0.27 0.12 1.25 0.00 0.00 0.00 179.25 180.39 1f68 h LEU 821 N 0.29 0.13 0.28 0.00 5.85 -0.42 0.20 115.31 121.64 1f68 h LEU 821 Ca 0.24 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1f68 h LEU 821 Cb 0.29 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1f68 h LEU 821 CO -0.28 0.11 -0.43 -0.08 -0.34 0.00 0.00 178.44 177.42 1f68 h GLU 822 N 0.28 -0.74 -0.17 1.25 4.81 0.23 0.11 114.58 120.34 1f68 h GLU 822 Ca 0.17 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1f68 h GLU 822 Cb 0.15 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1f68 h GLU 822 CO -0.18 -0.50 0.09 0.87 -0.73 0.00 0.00 179.01 178.56 1f68 h LYS 823 N -0.77 0.25 -0.24 1.92 1.79 -0.87 0.98 116.57 119.62 1f68 h LYS 823 Ca -0.01 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1f68 h LYS 823 Cb 0.73 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.26 1f68 h LYS 823 CO -0.16 0.27 -0.36 0.35 -1.08 0.00 0.00 179.45 178.47 1f68 h PHE 824 N 0.16 -1.01 -0.21 -1.35 3.57 -0.85 0.14 116.94 117.38 1f68 h PHE 824 Ca 0.06 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1f68 h PHE 824 Cb 0.10 0.48 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1f68 h PHE 824 CO -0.03 -0.42 -0.14 0.35 -2.23 0.00 0.00 178.31 175.84 1f68 h PHE 825 N -0.37 -0.35 -0.05 0.41 3.57 -0.47 -0.47 116.94 119.21 1f68 h PHE 825 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1f68 h PHE 825 Cb 0.57 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1f68 h PHE 825 CO -0.49 -0.21 0.02 1.88 -2.23 0.00 0.00 178.31 177.28 1f68 h TYR 826 N -0.13 0.03 -0.56 0.41 0.05 -0.25 0.76 116.97 117.28 1f68 h TYR 826 Ca 0.12 0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.00 1f68 h TYR 826 Cb 0.31 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 1f68 h TYR 826 CO -0.30 0.02 0.15 0.74 -1.05 0.00 0.00 178.16 177.73 1f68 h PHE 827 N 0.05 0.25 -0.03 4.88 0.04 -0.47 0.97 116.94 122.63 1f68 h PHE 827 Ca 0.02 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1f68 h PHE 827 Cb 0.01 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1f68 h PHE 827 CO -0.09 0.03 0.02 0.87 -0.60 0.00 0.00 178.31 178.54 1f68 h LYS 828 N 0.30 0.04 -0.81 1.51 1.57 -0.56 0.19 116.57 118.81 1f68 h LYS 828 Ca 0.28 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 1f68 h LYS 828 Cb 0.37 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1f68 h LYS 828 CO -0.33 0.06 0.45 -0.07 -0.57 0.00 0.00 179.45 178.99 1f68 h LEU 829 N 0.00 0.63 0.00 2.94 3.38 -0.29 0.94 115.31 122.91 1f68 h LEU 829 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f68 h LEU 829 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1f68 h LEU 829 CO -0.00 0.35 0.00 0.29 0.09 0.00 0.00 178.44 179.17 1f68 n LYS 830 N -4.77 0.26 0.00 1.13 5.02 0.28 -4.93 118.16 115.15 1f68 n LYS 830 Ca 0.13 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1f68 n LYS 830 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1f68 n LYS 830 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1f68 n GLU 831 N -1.34 0.00 0.00 1.97 1.02 0.63 -5.04 120.64 117.88 1f68 n GLU 831 Ca 0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1f68 n GLU 831 Cb 0.22 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 32.11 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72