#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 5.47 -0.01 1.61 -0.08 -1.26 -4.64 116.55 117.64 1f68 n ASP 731 Ca 0.00 -2.63 0.03 0.00 -1.51 0.00 0.00 54.79 50.67 1f68 n ASP 731 Cb 0.00 -1.44 0.38 0.00 2.34 0.00 0.00 41.12 42.40 1f68 n ASP 731 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1f68 h GLN 732 N 6.02 0.55 0.25 -0.67 1.08 -2.05 -0.83 115.11 119.47 1f68 h GLN 732 Ca 0.64 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.78 1f68 h GLN 732 Cb 0.44 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1f68 h GLN 732 CO 1.79 0.42 -0.39 1.25 -0.95 0.00 0.00 178.83 180.96 1f68 h LEU 733 N 0.56 -1.11 -0.82 1.46 5.85 -1.99 0.23 115.31 119.48 1f68 h LEU 733 Ca 0.14 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1f68 h LEU 733 Cb 0.05 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1f68 h LEU 733 CO -0.02 -0.46 0.51 0.22 -0.34 0.00 0.00 178.44 178.35 1f68 h TYR 734 N -0.67 0.96 -0.67 1.25 3.20 -1.85 -0.04 116.97 119.15 1f68 h TYR 734 Ca -0.03 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1f68 h TYR 734 Cb 0.62 -0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1f68 h TYR 734 CO -0.30 0.52 0.33 1.15 -1.64 0.00 0.00 178.16 178.21 1f68 h THR 735 N 0.97 0.86 0.02 1.81 2.02 -0.88 0.20 112.91 117.91 1f68 h THR 735 Ca 0.34 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1f68 h THR 735 Cb 0.09 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1f68 h THR 735 CO -0.15 0.11 -0.01 0.74 0.37 0.00 0.00 175.52 176.58 1f68 h THR 736 N 0.58 1.00 -0.92 3.16 2.02 0.94 -0.09 112.91 119.60 1f68 h THR 736 Ca 0.32 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.53 1f68 h THR 736 Cb 0.32 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1f68 h THR 736 CO -0.25 0.02 0.57 -0.07 0.37 0.00 0.00 175.52 176.15 1f68 h LEU 737 N -0.06 0.86 0.44 2.58 3.38 -0.26 0.22 115.31 122.46 1f68 h LEU 737 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1f68 h LEU 737 Cb 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1f68 h LEU 737 CO 0.01 0.50 -0.21 0.50 0.09 0.00 0.00 178.44 179.33 1f68 h LYS 738 N 0.96 -0.57 -0.83 1.13 3.11 -0.29 0.54 116.57 120.62 1f68 h LYS 738 Ca 0.43 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 58.32 1f68 h LYS 738 Cb 0.33 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.65 1f68 h LYS 738 CO -0.23 -0.33 0.54 -0.91 -2.81 0.00 0.00 179.45 175.71 1f68 h ASN 739 N -0.67 0.96 0.44 4.20 2.35 -0.51 0.13 115.58 122.49 1f68 h ASN 739 Ca -0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1f68 h ASN 739 Cb 0.49 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1f68 h ASN 739 CO 0.10 0.71 -0.41 0.25 -1.65 0.00 0.00 177.43 176.43 1f68 h LEU 740 N 1.13 -1.10 -0.28 1.61 5.85 -0.51 -0.22 115.31 121.79 1f68 h LEU 740 Ca 0.30 0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.17 1f68 h LEU 740 Cb -0.11 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1f68 h LEU 740 CO -0.06 -0.57 -0.09 0.25 -0.34 0.00 0.00 178.44 177.63 1f68 h LEU 741 N -0.86 -0.31 -0.09 2.25 5.85 -0.53 -0.93 115.31 120.70 1f68 h LEU 741 Ca -0.04 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1f68 h LEU 741 Cb 0.75 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1f68 h LEU 741 CO -0.05 -0.11 -0.19 0.00 -0.34 0.00 0.00 178.44 177.76 1f68 h ALA 742 N 1.25 -0.16 -0.09 1.25 0.00 -0.56 0.13 119.26 121.07 1f68 h ALA 742 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1f68 h ALA 742 Cb 0.24 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1f68 h ALA 742 CO -0.31 -0.65 -0.12 1.96 0.00 0.00 0.00 179.25 180.13 1f68 h GLN 743 N -0.26 -0.15 -0.17 0.00 4.20 -0.73 0.12 115.11 118.13 1f68 h GLN 743 Ca 0.08 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1f68 h GLN 743 Cb 0.38 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1f68 h GLN 743 CO -0.24 -0.10 -0.04 0.82 -0.67 0.00 0.00 178.83 178.60 1f68 h ILE 744 N -0.15 0.83 -0.91 2.54 2.04 -0.63 0.77 117.51 121.99 1f68 h ILE 744 Ca 0.07 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1f68 h ILE 744 Cb 0.26 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1f68 h ILE 744 CO -0.19 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.67 1f68 h LYS 745 N 0.00 1.16 -0.68 2.37 1.57 -0.54 -2.30 116.57 118.16 1f68 h LYS 745 Ca 0.08 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1f68 h LYS 745 Cb 0.12 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1f68 h LYS 745 CO -0.18 0.77 0.27 0.77 -0.57 0.00 0.00 179.45 180.51 1f68 h SER 746 N 1.20 0.92 -2.47 0.86 0.02 0.05 -3.43 113.55 110.70 1f68 h SER 746 Ca 0.34 -0.13 -0.53 0.00 -0.84 0.00 0.00 61.79 60.63 1f68 h SER 746 Cb -0.08 -0.24 0.04 0.00 0.14 0.00 0.00 62.40 62.26 1f68 h SER 746 CO -0.09 0.83 1.11 1.57 -1.14 0.00 0.00 176.83 179.10 1f68 n HIS 747 N -4.30 2.61 -0.33 3.45 -0.00 0.19 -4.87 115.22 111.98 1f68 n HIS 747 Ca 0.06 -0.14 0.19 0.00 -0.00 0.00 0.00 57.72 57.83 1f68 n HIS 747 Cb 0.18 -2.73 0.37 0.00 -0.00 0.00 0.00 29.99 27.81 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 8.58 0.06 -1.69 1.57 0.11 -1.85 0.38 132.00 139.15 1f68 h PRO 748 Ca -0.46 -0.00 0.49 0.00 0.11 0.00 0.00 66.00 66.13 1f68 h PRO 748 Cb 1.22 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1f68 h PRO 748 CO 0.95 0.04 1.28 0.77 -0.21 0.00 0.00 178.00 180.82 1f68 h SER 749 N 0.06 0.00 -0.20 -2.05 0.02 -1.89 0.08 113.55 109.57 1f68 h SER 749 Ca 0.66 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.64 1f68 h SER 749 Cb 1.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 1f68 h SER 749 CO -0.81 0.00 0.13 0.00 -1.14 0.00 0.00 176.83 175.01 1f68 h ALA 750 N 1.04 2.02 -0.90 3.77 0.00 -1.12 -3.38 119.26 120.69 1f68 h ALA 750 Ca 0.80 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.88 1f68 h ALA 750 Cb 3.35 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 20.94 1f68 h ALA 750 CO -0.01 -0.05 -0.25 -2.67 0.00 0.00 0.00 179.25 176.27 1f68 n TRP 751 N -4.50 0.26 0.27 0.00 4.27 0.01 -0.21 117.44 117.54 1f68 n TRP 751 Ca 0.01 1.10 0.17 0.00 -3.89 0.00 0.00 57.50 54.88 1f68 n TRP 751 Cb 0.18 -0.98 0.63 0.00 -1.36 0.00 0.00 31.31 29.78 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 -0.01 -2.67 0.11 -1.86 -3.22 132.00 124.35 1f68 h PRO 752 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1f68 h PRO 752 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1f68 h PRO 752 CO -0.92 0.00 -0.29 1.19 -0.21 0.00 0.00 178.00 177.78 1f68 n PHE 753 N -3.10 0.00 -0.16 0.65 3.72 0.71 -4.64 117.46 114.65 1f68 n PHE 753 Ca 0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1f68 n PHE 753 Cb 0.33 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.84 -0.13 -6.05 -1.08 2.86 -1.22 -0.70 114.93 109.46 1f68 h MET 754 Ca 0.00 0.01 -0.60 0.00 -2.06 0.00 0.00 59.70 57.05 1f68 h MET 754 Cb 0.32 0.03 -0.29 0.00 0.06 0.00 0.00 31.60 31.73 1f68 h MET 754 CO 0.00 -0.09 -0.85 -2.00 1.06 0.00 0.00 176.91 175.03 1f68 s GLU 755 N -6.11 1.61 0.39 1.72 2.56 -1.26 -0.70 118.70 116.91 1f68 s GLU 755 Ca -0.14 -0.79 -0.24 0.00 0.00 0.00 0.00 54.97 53.79 1f68 s GLU 755 Cb 0.16 -1.60 -0.09 0.00 2.00 0.00 0.00 34.13 34.60 1f68 s GLU 755 CO 0.70 0.43 1.04 -1.25 -0.56 0.00 0.00 175.26 175.63 1f68 s PRO 756 N -0.66 4.19 -0.30 4.30 0.04 -1.26 -4.95 135.00 136.36 1f68 s PRO 756 Ca 0.08 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1f68 s PRO 756 Cb -0.08 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1f68 s PRO 756 CO -0.00 -0.11 1.62 0.08 0.04 0.00 0.00 177.00 178.62 1f68 s VAL 757 N -1.66 3.69 0.71 -0.36 1.01 -1.26 -4.98 120.40 117.55 1f68 s VAL 757 Ca 0.57 0.74 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 1f68 s VAL 757 Cb -0.22 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1f68 s VAL 757 CO 0.27 -0.44 1.10 -0.54 0.00 0.00 0.00 175.10 175.50 1f68 s LYS 758 N 5.02 2.81 0.29 2.72 1.02 -1.26 -4.73 119.74 125.62 1f68 s LYS 758 Ca 0.71 0.46 0.04 0.00 0.02 0.00 0.00 55.97 57.20 1f68 s LYS 758 Cb -0.21 -2.02 0.67 0.00 -0.52 0.00 0.00 37.83 35.75 1f68 s LYS 758 CO 0.31 -1.07 1.78 0.87 -0.92 0.00 0.00 175.35 176.32 1f68 h LYS 759 N -0.68 0.73 -0.20 1.68 1.57 -1.93 0.19 116.57 117.93 1f68 h LYS 759 Ca -0.45 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1f68 h LYS 759 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1f68 h LYS 759 CO 0.64 0.48 0.04 0.66 -0.57 0.00 0.00 179.45 180.70 1f68 h SER 760 N 0.75 0.25 0.01 0.86 4.64 -1.98 -2.23 113.55 115.85 1f68 h SER 760 Ca 0.55 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.68 1f68 h SER 760 Cb 0.81 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1f68 h SER 760 CO -0.37 0.26 -0.90 -0.33 -0.87 0.00 0.00 176.83 174.63 1f68 h GLU 761 N 0.28 0.01 -2.20 4.77 5.08 -1.08 -3.44 114.58 118.00 1f68 h GLU 761 Ca 0.07 -0.03 -0.51 0.00 -1.00 0.00 0.00 59.36 57.89 1f68 h GLU 761 Cb 0.12 0.01 -0.35 0.00 0.50 0.00 0.00 28.75 29.03 1f68 h GLU 761 CO -0.00 1.01 -0.86 0.00 -1.00 0.00 0.00 179.01 178.16 1f68 s ALA 762 N -2.33 0.67 0.24 3.43 0.00 0.05 -4.99 121.76 118.82 1f68 s ALA 762 Ca -0.25 -1.91 -0.06 0.00 0.00 0.00 0.00 51.96 49.74 1f68 s ALA 762 Cb 0.03 -1.78 0.33 0.00 0.00 0.00 0.00 23.12 21.70 1f68 s ALA 762 CO 0.63 -2.05 1.85 -1.00 0.00 0.00 0.00 175.76 175.19 1f68 h PRO 763 N 6.03 0.92 -1.22 0.00 0.13 -1.60 -0.51 132.00 135.75 1f68 h PRO 763 Ca 0.18 -0.06 0.35 0.00 -0.87 0.00 0.00 66.00 65.60 1f68 h PRO 763 Cb 0.96 -0.21 -0.09 0.00 0.13 0.00 0.00 31.00 31.80 1f68 h PRO 763 CO 0.29 0.61 0.83 0.38 -0.23 0.00 0.00 178.00 179.87 1f68 h ASP 764 N 0.95 0.23 -0.82 1.44 2.03 -1.95 0.13 116.42 118.43 1f68 h ASP 764 Ca 0.37 0.06 0.13 0.00 -0.73 0.00 0.00 57.03 56.86 1f68 h ASP 764 Cb 0.17 0.03 -0.09 0.00 -0.83 0.00 0.00 39.33 38.62 1f68 h ASP 764 CO -0.17 -0.01 0.42 0.22 -1.03 0.00 0.00 179.24 178.67 1f68 h TYR 765 N 0.17 0.74 0.00 4.15 5.03 -1.47 0.10 116.97 125.70 1f68 h TYR 765 Ca 0.66 0.03 0.00 0.00 2.58 0.00 0.00 58.73 62.01 1f68 h TYR 765 Cb 2.16 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 40.23 1f68 h TYR 765 CO -0.00 0.21 0.00 0.66 -1.32 0.00 0.00 178.16 177.71 1f68 n TYR 766 N -4.86 0.00 -0.11 -3.82 4.02 0.44 0.04 117.16 112.88 1f68 n TYR 766 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.83 1f68 n TYR 766 Cb 0.38 -0.15 -0.09 0.00 -0.02 0.00 0.00 39.34 39.46 1f68 n TYR 766 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1f68 n GLU 767 N -1.15 0.56 -0.04 -0.72 1.02 -0.06 -4.79 120.64 115.47 1f68 n GLU 767 Ca 0.19 0.46 -0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1f68 n GLU 767 Cb 0.18 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1f68 n GLU 767 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1f68 h VAL 768 N -1.00 0.00 -1.44 2.62 2.07 -0.75 -3.41 116.25 114.34 1f68 h VAL 768 Ca -0.39 -0.95 -0.66 0.00 0.82 0.00 0.00 66.70 65.52 1f68 h VAL 768 Cb 1.29 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.94 1f68 h VAL 768 CO -0.24 0.00 1.53 -0.63 0.02 0.00 0.00 177.57 178.25 1f68 s ILE 769 N -1.63 4.27 -0.03 4.57 -1.09 0.11 -4.82 121.20 122.58 1f68 s ILE 769 Ca -0.00 -1.46 0.21 0.00 -2.23 0.00 0.00 60.65 57.17 1f68 s ILE 769 Cb 0.00 -5.02 0.21 0.00 -1.58 0.00 0.00 42.46 36.07 1f68 s ILE 769 CO 0.01 -1.84 1.63 0.03 -1.23 0.00 0.00 174.94 173.54 1f68 h ARG 770 N 8.70 0.00 -3.37 2.79 2.47 -1.81 -3.35 114.38 119.81 1f68 h ARG 770 Ca 0.27 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 58.28 1f68 h ARG 770 Cb 0.96 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.93 1f68 h ARG 770 CO 1.35 0.00 -0.09 -0.06 0.56 0.00 0.00 179.97 181.73 1f68 s PHE 771 N -3.56 3.86 -1.14 3.04 0.08 -1.26 -5.02 117.98 113.99 1f68 s PHE 771 Ca -0.02 -2.95 -0.23 0.00 0.12 0.00 0.00 56.93 53.85 1f68 s PHE 771 Cb 0.06 -3.29 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 1f68 s PHE 771 CO 0.19 -0.77 1.91 -1.25 -0.10 0.00 0.00 175.22 175.21 1f68 s PRO 772 N -1.17 2.66 -0.00 0.24 0.04 -1.26 -4.88 135.00 130.64 1f68 s PRO 772 Ca 0.26 -1.07 0.03 0.00 0.04 0.00 0.00 61.00 60.27 1f68 s PRO 772 Cb -0.09 -5.24 -0.01 0.00 0.04 0.00 0.00 34.50 29.20 1f68 s PRO 772 CO -0.11 -3.68 -0.10 -1.50 0.04 0.00 0.00 177.00 171.64 1f68 s ILE 773 N 10.12 0.82 0.32 0.56 1.10 -1.26 -5.00 121.20 127.86 1f68 s ILE 773 Ca 0.67 -0.52 -0.10 0.00 -0.51 0.00 0.00 60.65 60.18 1f68 s ILE 773 Cb -0.01 -0.71 0.04 0.00 0.15 0.00 0.00 42.46 41.93 1f68 s ILE 773 CO 0.10 0.18 0.60 -0.90 -2.11 0.00 0.00 174.94 172.81 1f68 n ASP 774 N 2.67 -1.75 -0.21 4.50 5.75 -1.26 -4.67 116.55 121.59 1f68 n ASP 774 Ca -0.14 -2.34 -0.09 0.00 -0.01 0.00 0.00 54.79 52.21 1f68 n ASP 774 Cb 0.56 2.95 0.02 0.00 -1.03 0.00 0.00 41.12 43.63 1f68 n ASP 774 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1f68 h LEU 775 N 0.00 0.96 -0.02 -2.12 4.07 -1.25 0.75 115.31 117.69 1f68 h LEU 775 Ca -0.27 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.46 1f68 h LEU 775 Cb 1.00 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 42.44 1f68 h LEU 775 CO 0.34 0.98 -0.30 0.50 -1.08 0.00 0.00 178.44 178.88 1f68 h LYS 776 N 0.89 -0.42 -0.50 1.13 1.63 -1.09 0.10 116.57 118.31 1f68 h LYS 776 Ca 0.18 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1f68 h LYS 776 Cb 0.45 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1f68 h LYS 776 CO 0.01 -0.28 0.29 1.15 -3.45 0.00 0.00 179.45 177.18 1f68 h THR 777 N -0.44 1.05 -0.66 1.00 2.02 -1.76 0.38 112.91 114.49 1f68 h THR 777 Ca 0.07 -0.20 0.13 0.00 0.77 0.00 0.00 66.41 67.18 1f68 h THR 777 Cb 0.53 0.41 -0.10 0.00 -1.74 0.00 0.00 68.15 67.25 1f68 h THR 777 CO -0.27 0.11 0.15 0.24 0.37 0.00 0.00 175.52 176.12 1f68 h MET 778 N 0.59 0.26 0.29 6.66 2.86 -0.49 0.15 114.93 125.24 1f68 h MET 778 Ca 0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1f68 h MET 778 Cb 0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1f68 h MET 778 CO -0.09 0.17 -0.21 1.15 1.06 0.00 0.00 176.91 178.99 1f68 h THR 779 N 0.27 0.56 -0.53 2.22 2.02 0.80 0.14 112.91 118.38 1f68 h THR 779 Ca 0.35 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.61 1f68 h THR 779 Cb 0.55 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1f68 h THR 779 CO -0.45 0.00 0.19 -0.33 0.37 0.00 0.00 175.52 175.30 1f68 h GLU 780 N -0.50 0.36 -0.54 6.66 4.39 -0.26 0.61 114.58 125.31 1f68 h GLU 780 Ca -0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1f68 h GLU 780 Cb 0.43 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1f68 h GLU 780 CO 0.00 0.24 0.25 0.00 -1.16 0.00 0.00 179.01 178.35 1f68 h ARG 781 N 0.37 0.78 -0.22 2.33 2.47 -0.49 0.27 114.38 119.89 1f68 h ARG 781 Ca 0.26 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1f68 h ARG 781 Cb 0.29 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1f68 h ARG 781 CO -0.27 0.65 0.13 1.25 0.56 0.00 0.00 179.97 182.30 1f68 h LEU 782 N 0.73 0.22 -1.72 3.04 5.85 -0.11 0.50 115.31 123.82 1f68 h LEU 782 Ca 0.19 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1f68 h LEU 782 Cb 0.13 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1f68 h LEU 782 CO -0.02 0.16 0.26 0.03 -0.34 0.00 0.00 178.44 178.53 1f68 h ARG 783 N 0.27 0.36 0.00 1.25 2.47 -0.47 0.15 114.38 118.40 1f68 h ARG 783 Ca 0.08 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1f68 h ARG 783 Cb -0.01 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1f68 h ARG 783 CO -0.04 0.24 0.00 0.43 0.56 0.00 0.00 179.97 181.16 1f68 n SER 784 N -4.48 0.00 -2.17 7.04 7.64 0.92 -4.87 113.62 117.70 1f68 n SER 784 Ca 0.04 -1.31 -0.19 0.00 1.01 0.00 0.00 58.87 58.42 1f68 n SER 784 Cb 0.18 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.78 -1.70 -0.10 1.43 5.12 0.04 -4.88 116.66 115.78 1f68 n ARG 785 Ca 0.12 0.97 -0.13 0.00 -1.93 0.00 0.00 57.85 56.89 1f68 n ARG 785 Cb 0.06 -5.54 -0.04 0.00 -1.16 0.00 0.00 32.46 25.78 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 0.00 0.87 0.00 -1.55 3.20 -1.13 -3.32 116.97 115.04 1f68 h TYR 786 Ca -0.43 -0.25 -0.62 0.00 3.14 0.00 0.00 58.73 60.57 1f68 h TYR 786 Cb 1.30 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 39.40 1f68 h TYR 786 CO 0.58 1.00 2.91 0.66 -1.64 0.00 0.00 178.16 181.67 1f68 n TYR 787 N -4.26 2.39 0.25 -3.82 4.01 -1.26 -4.64 117.16 109.83 1f68 n TYR 787 Ca -0.03 -2.44 0.10 0.00 -0.16 0.00 0.00 57.90 55.36 1f68 n TYR 787 Cb 0.46 -2.11 0.67 0.00 -0.31 0.00 0.00 39.34 38.05 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 3.85 0.81 -4.02 -0.72 -1.51 -1.97 -3.42 116.25 109.26 1f68 h VAL 788 Ca 0.57 -0.44 -0.38 0.00 -1.23 0.00 0.00 66.70 65.21 1f68 h VAL 788 Cb 0.49 1.26 -0.28 0.00 -2.13 0.00 0.00 31.29 30.62 1f68 h VAL 788 CO 1.80 0.11 -0.78 0.42 -1.23 0.00 0.00 177.57 177.90 1f68 s THR 789 N -4.51 0.71 0.31 7.19 -4.23 -1.26 -5.03 115.64 108.83 1f68 s THR 789 Ca -0.04 -0.47 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1f68 s THR 789 Cb 0.15 -0.61 0.30 0.00 1.34 0.00 0.00 72.50 73.68 1f68 s THR 789 CO 0.63 0.14 1.71 -0.09 -0.54 0.00 0.00 174.62 176.47 1f68 h ARG 790 N 5.75 0.49 -0.98 3.99 2.43 -1.98 -0.59 114.38 123.49 1f68 h ARG 790 Ca -0.31 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1f68 h ARG 790 Cb 1.18 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 1f68 h ARG 790 CO 0.49 0.32 0.62 0.87 -1.51 0.00 0.00 179.97 180.76 1f68 h LYS 791 N 0.51 0.90 -0.42 0.20 1.79 -1.97 0.94 116.57 118.52 1f68 h LYS 791 Ca 0.62 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.99 1f68 h LYS 791 Cb 1.18 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1f68 h LYS 791 CO -0.50 0.60 0.11 -0.07 -1.08 0.00 0.00 179.45 178.51 1f68 h LEU 792 N 0.93 0.64 0.18 2.94 3.38 -1.50 0.96 115.31 122.84 1f68 h LEU 792 Ca 0.49 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1f68 h LEU 792 Cb 0.55 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1f68 h LEU 792 CO -0.26 0.70 -0.19 0.15 0.09 0.00 0.00 178.44 178.93 1f68 h PHE 793 N 0.54 -0.51 0.26 1.13 3.04 -1.16 0.08 116.94 120.32 1f68 h PHE 793 Ca 0.13 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1f68 h PHE 793 Cb 0.31 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1f68 h PHE 793 CO 0.02 -0.29 -0.44 0.28 -2.02 0.00 0.00 178.31 175.86 1f68 h VAL 794 N -0.41 0.12 -0.30 1.41 2.07 -0.75 -0.07 116.25 118.33 1f68 h VAL 794 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1f68 h VAL 794 Cb 0.39 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1f68 h VAL 794 CO -0.06 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.24 1f68 h ALA 795 N -0.40 -0.19 -0.32 1.67 0.00 -0.63 0.14 119.26 119.52 1f68 h ALA 795 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1f68 h ALA 795 Cb 0.74 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1f68 h ALA 795 CO -0.17 -0.71 0.19 -0.44 0.00 0.00 0.00 179.25 178.11 1f68 h ASP 796 N -0.27 0.30 -0.43 0.00 5.19 -0.80 0.11 116.42 120.52 1f68 h ASP 796 Ca 0.15 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1f68 h ASP 796 Cb 0.51 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1f68 h ASP 796 CO -0.45 0.22 0.10 0.25 -3.12 0.00 0.00 179.24 176.24 1f68 h LEU 797 N 0.38 0.66 -1.07 1.55 6.46 -0.29 0.18 115.31 123.18 1f68 h LEU 797 Ca 0.13 -0.24 0.12 0.00 -0.12 0.00 0.00 57.88 57.77 1f68 h LEU 797 Cb 0.00 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 39.68 1f68 h LEU 797 CO -0.06 0.72 0.62 1.56 -0.62 0.00 0.00 178.44 180.66 1f68 h GLN 798 N 0.56 0.91 -0.28 1.25 1.08 -0.52 -0.11 115.11 118.00 1f68 h GLN 798 Ca 0.13 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 1f68 h GLN 798 Cb 0.33 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1f68 h GLN 798 CO 0.00 0.60 -0.17 -0.09 -0.95 0.00 0.00 178.83 178.23 1f68 h ARG 799 N 0.94 0.50 -0.02 1.46 9.65 0.72 0.21 114.38 127.83 1f68 h ARG 799 Ca 0.48 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1f68 h ARG 799 Cb 0.52 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1f68 h ARG 799 CO -0.25 0.65 0.01 0.28 2.80 0.00 0.00 179.97 183.47 1f68 h VAL 800 N 0.45 1.00 -0.38 0.20 2.07 0.71 0.22 116.25 120.53 1f68 h VAL 800 Ca 0.08 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1f68 h VAL 800 Cb 0.56 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1f68 h VAL 800 CO 0.04 0.01 0.24 0.40 0.02 0.00 0.00 177.57 178.28 1f68 h ILE 801 N 0.03 1.11 -0.86 4.57 2.04 -0.62 -0.87 117.51 122.91 1f68 h ILE 801 Ca 0.01 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1f68 h ILE 801 Cb -0.00 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1f68 h ILE 801 CO -0.00 0.11 0.52 0.00 0.00 0.00 0.00 178.15 178.77 1f68 h ALA 802 N 1.12 1.20 -0.33 1.87 0.00 -0.45 0.53 119.26 123.20 1f68 h ALA 802 Ca 0.14 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1f68 h ALA 802 Cb -0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 1f68 h ALA 802 CO -0.03 0.20 -0.14 -0.91 0.00 0.00 0.00 179.25 178.37 1f68 h ASN 803 N 0.90 -0.49 0.11 0.00 2.35 0.31 0.13 115.58 118.89 1f68 h ASN 803 Ca 0.39 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 56.28 1f68 h ASN 803 Cb 0.27 0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1f68 h ASN 803 CO -0.21 -0.18 -0.25 0.00 -1.65 0.00 0.00 177.43 175.15 1f68 h ARG 805 N -0.45 1.24 -0.10 0.00 2.47 -0.45 0.66 114.38 117.76 1f68 h ARG 805 Ca 0.03 -0.17 -0.09 0.00 -1.26 0.00 0.00 59.98 58.48 1f68 h ARG 805 Cb 0.47 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1f68 h ARG 805 CO -0.15 0.94 -0.30 0.93 0.56 0.00 0.00 179.97 181.95 1f68 h GLU 806 N 1.23 0.38 -0.13 0.04 5.08 -0.66 -3.36 114.58 117.16 1f68 h GLU 806 Ca 0.30 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1f68 h GLU 806 Cb 0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1f68 h GLU 806 CO -0.04 0.89 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.70 1f68 h TYR 807 N -0.07 0.50 -2.85 4.33 3.20 -0.63 -3.45 116.97 118.00 1f68 h TYR 807 Ca -0.01 -0.18 -0.64 0.00 3.14 0.00 0.00 58.73 61.04 1f68 h TYR 807 Cb 0.92 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1f68 h TYR 807 CO 0.12 0.87 -0.51 -0.80 -1.64 0.00 0.00 178.16 176.20 1f68 s ASN 808 N -6.31 6.26 0.17 -2.11 0.01 0.21 -5.06 114.94 108.10 1f68 s ASN 808 Ca -0.14 0.32 -0.33 0.00 -0.71 0.00 0.00 52.86 52.00 1f68 s ASN 808 Cb 0.05 -1.94 -0.15 0.00 0.41 0.00 0.00 41.25 39.61 1f68 s ASN 808 CO 0.77 0.27 1.24 -2.65 -1.51 0.00 0.00 177.10 175.23 1f68 n PRO 809 N 1.02 1.31 -0.34 -0.60 -0.02 -1.26 -4.64 135.00 130.47 1f68 n PRO 809 Ca -0.12 0.47 0.29 0.00 -2.02 0.00 0.00 63.50 62.12 1f68 n PRO 809 Cb 0.53 -2.02 0.55 0.00 -0.02 0.00 0.00 33.50 32.53 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 3.79 0.16 -4.79 0.52 0.11 -1.93 -2.96 132.00 126.89 1f68 h PRO 810 Ca -0.44 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 64.96 1f68 h PRO 810 Cb 1.33 -0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.21 1f68 h PRO 810 CO 0.73 0.10 0.36 0.34 -0.21 0.00 0.00 178.00 179.32 1f68 s ASP 811 N -4.69 6.36 0.11 -2.05 2.15 -1.26 -4.65 116.67 112.63 1f68 s ASP 811 Ca -0.09 -1.66 -0.24 0.00 0.43 0.00 0.00 52.55 50.99 1f68 s ASP 811 Cb 0.32 -2.33 0.07 0.00 -0.30 0.00 0.00 42.92 40.67 1f68 s ASP 811 CO 0.79 -1.09 0.59 -0.94 -0.17 0.00 0.00 175.17 174.35 1f68 s SER 812 N 3.46 -0.55 0.26 -0.34 1.04 -1.12 -4.97 113.70 111.48 1f68 s SER 812 Ca 0.19 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 1f68 s SER 812 Cb -0.17 0.57 0.45 0.00 0.10 0.00 0.00 66.02 66.98 1f68 s SER 812 CO 0.01 -0.87 1.82 -0.33 0.98 0.00 0.00 173.24 174.85 1f68 h GLU 813 N 2.28 0.86 0.13 4.02 4.39 -1.94 0.80 114.58 125.12 1f68 h GLU 813 Ca -0.32 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.34 1f68 h GLU 813 Cb 1.27 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.67 1f68 h GLU 813 CO 0.39 0.57 -0.53 1.88 -1.16 0.00 0.00 179.01 180.16 1f68 h TYR 814 N 0.89 -1.54 -0.88 4.33 -1.99 -1.95 0.15 116.97 115.98 1f68 h TYR 814 Ca 0.44 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 61.21 1f68 h TYR 814 Cb 0.40 0.65 -0.04 0.00 2.00 0.00 0.00 36.73 39.74 1f68 h TYR 814 CO -0.04 -0.60 0.55 0.00 -0.00 0.00 0.00 178.16 178.07 1f68 h ARG 816 N 1.20 0.56 -0.37 0.00 2.47 -0.69 0.25 114.38 117.79 1f68 h ARG 816 Ca 0.32 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 59.04 1f68 h ARG 816 Cb -0.08 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.08 1f68 h ARG 816 CO -0.06 0.40 0.12 0.00 0.56 0.00 0.00 179.97 180.99 1f68 h ALA 818 N 1.25 1.28 0.05 0.00 0.00 -0.24 0.20 119.26 121.79 1f68 h ALA 818 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1f68 h ALA 818 Cb 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1f68 h ALA 818 CO -0.18 0.56 -0.02 0.77 0.00 0.00 0.00 179.25 180.37 1f68 h SER 819 N 1.26 -0.05 -0.57 0.00 0.02 0.44 0.24 113.55 114.90 1f68 h SER 819 Ca 0.38 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 1f68 h SER 819 Cb -0.05 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1f68 h SER 819 CO -0.11 -0.02 0.33 0.00 -1.14 0.00 0.00 176.83 175.89 1f68 h ALA 820 N 0.87 0.74 -0.50 3.77 0.00 -0.55 -0.48 119.26 123.11 1f68 h ALA 820 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1f68 h ALA 820 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1f68 h ALA 820 CO 0.01 0.03 0.29 1.25 0.00 0.00 0.00 179.25 180.83 1f68 h LEU 821 N 0.65 0.46 0.40 0.00 5.85 -0.31 0.50 115.31 122.87 1f68 h LEU 821 Ca 0.24 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1f68 h LEU 821 Cb 0.07 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1f68 h LEU 821 CO -0.12 0.32 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.02 1f68 h GLU 822 N 0.57 -0.54 0.17 1.25 4.57 0.08 0.25 114.58 120.94 1f68 h GLU 822 Ca 0.20 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1f68 h GLU 822 Cb 0.04 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1f68 h GLU 822 CO -0.10 -0.36 -0.27 -0.22 -1.18 0.00 0.00 179.01 176.89 1f68 h LYS 823 N -0.56 -0.49 -0.36 1.92 3.64 -0.93 0.69 116.57 120.49 1f68 h LYS 823 Ca -0.05 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1f68 h LYS 823 Cb 0.43 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1f68 h LYS 823 CO 0.08 -0.33 -0.02 0.35 -2.27 0.00 0.00 179.45 177.27 1f68 h PHE 824 N -0.51 -0.05 -0.16 1.91 3.57 -0.81 0.26 116.94 121.16 1f68 h PHE 824 Ca 0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1f68 h PHE 824 Cb 0.51 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1f68 h PHE 824 CO -0.22 -0.08 -0.06 0.35 -2.23 0.00 0.00 178.31 176.07 1f68 h PHE 825 N 0.08 -0.15 -0.53 0.41 3.57 -0.12 0.89 116.94 121.10 1f68 h PHE 825 Ca 0.17 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1f68 h PHE 825 Cb 0.24 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 1f68 h PHE 825 CO -0.26 -0.10 0.27 1.88 -2.23 0.00 0.00 178.31 177.87 1f68 h TYR 826 N -0.04 0.50 -0.14 0.41 0.05 -0.29 0.15 116.97 117.60 1f68 h TYR 826 Ca 0.08 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.93 1f68 h TYR 826 Cb 0.17 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 1f68 h TYR 826 CO -0.21 0.24 -0.19 0.74 -1.05 0.00 0.00 178.16 177.70 1f68 h PHE 827 N 0.53 -0.50 -0.33 4.88 0.04 -0.24 -0.14 116.94 121.18 1f68 h PHE 827 Ca 0.23 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.07 1f68 h PHE 827 Cb 0.13 0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 1f68 h PHE 827 CO -0.10 -0.27 0.10 0.87 -0.60 0.00 0.00 178.31 178.32 1f68 h LYS 828 N -0.24 0.23 -0.40 1.51 1.79 0.03 0.70 116.57 120.19 1f68 h LYS 828 Ca 0.10 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.62 1f68 h LYS 828 Cb 0.39 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1f68 h LYS 828 CO -0.28 0.15 0.09 -0.07 -1.08 0.00 0.00 179.45 178.26 1f68 h LEU 829 N 0.24 0.03 -0.41 2.94 3.38 -0.38 0.12 115.31 121.22 1f68 h LEU 829 Ca 0.15 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1f68 h LEU 829 Cb 0.13 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1f68 h LEU 829 CO -0.16 0.05 0.13 0.11 0.09 0.00 0.00 178.44 178.66 1f68 h LYS 830 N 0.22 0.63 -0.29 1.13 1.79 -0.54 -3.05 116.57 116.46 1f68 h LYS 830 Ca 0.19 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1f68 h LYS 830 Cb 0.22 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1f68 h LYS 830 CO -0.24 0.63 0.18 0.93 -1.08 0.00 0.00 179.45 179.86 1f68 h GLU 831 N 0.52 0.35 0.00 3.15 5.08 -0.45 -3.51 114.58 119.72 1f68 h GLU 831 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1f68 h GLU 831 Cb 0.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1f68 h GLU 831 CO -0.00 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.65