#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 0.71 -0.13 1.61 2.03 -2.05 0.90 116.42 119.49 1f68 h ASP 731 Ca 0.00 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 1f68 h ASP 731 Cb 0.00 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1f68 h ASP 731 CO 0.00 0.47 -0.05 1.56 -1.03 0.00 0.00 179.24 180.19 1f68 h GLN 732 N 0.84 0.27 0.08 4.15 4.20 -2.05 0.43 115.11 123.03 1f68 h GLN 732 Ca 0.31 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.94 1f68 h GLN 732 Cb 0.10 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1f68 h GLN 732 CO -0.14 0.58 -0.33 1.25 -0.67 0.00 0.00 178.83 179.52 1f68 h LEU 733 N -0.06 -0.95 -0.38 1.46 5.85 -1.95 0.12 115.31 119.41 1f68 h LEU 733 Ca 0.03 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1f68 h LEU 733 Cb 0.49 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 1f68 h LEU 733 CO 0.02 -0.40 -0.21 0.22 -0.34 0.00 0.00 178.44 177.72 1f68 h TYR 734 N -0.53 -0.54 -0.41 1.25 3.20 -0.75 0.13 116.97 119.32 1f68 h TYR 734 Ca 0.04 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1f68 h TYR 734 Cb 0.57 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1f68 h TYR 734 CO -0.31 -0.29 0.21 1.15 -1.64 0.00 0.00 178.16 177.28 1f68 h THR 735 N -0.15 0.98 0.05 1.81 2.02 -0.52 0.14 112.91 117.24 1f68 h THR 735 Ca 0.19 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1f68 h THR 735 Cb 0.44 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1f68 h THR 735 CO -0.47 0.08 -0.02 0.74 0.37 0.00 0.00 175.52 176.22 1f68 h THR 736 N 0.42 0.98 -0.59 3.16 2.02 -0.05 0.23 112.91 119.09 1f68 h THR 736 Ca 0.17 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.35 1f68 h THR 736 Cb 0.08 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1f68 h THR 736 CO -0.12 0.02 0.22 -0.07 0.37 0.00 0.00 175.52 175.94 1f68 h LEU 737 N -0.10 0.22 -0.14 2.58 3.38 -0.53 0.11 115.31 120.82 1f68 h LEU 737 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1f68 h LEU 737 Cb 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1f68 h LEU 737 CO 0.01 0.14 0.09 0.50 0.09 0.00 0.00 178.44 179.26 1f68 h LYS 738 N 0.40 0.17 -0.45 1.13 3.64 -0.24 0.14 116.57 121.36 1f68 h LYS 738 Ca 0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1f68 h LYS 738 Cb 0.35 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1f68 h LYS 738 CO -0.29 0.11 0.30 -0.91 -2.27 0.00 0.00 179.45 176.39 1f68 h ASN 739 N 0.18 0.52 0.37 4.20 2.35 -0.42 0.19 115.58 122.96 1f68 h ASN 739 Ca 0.05 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1f68 h ASN 739 Cb -0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1f68 h ASN 739 CO -0.02 0.38 -0.32 0.25 -1.65 0.00 0.00 177.43 176.07 1f68 h LEU 740 N 0.61 -0.85 -0.52 1.61 5.85 -0.49 -0.56 115.31 120.96 1f68 h LEU 740 Ca 0.17 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1f68 h LEU 740 Cb -0.07 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1f68 h LEU 740 CO -0.04 -0.47 0.28 0.25 -0.34 0.00 0.00 178.44 178.13 1f68 h LEU 741 N -0.70 0.43 0.00 2.25 5.85 -0.57 -0.40 115.31 122.17 1f68 h LEU 741 Ca -0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1f68 h LEU 741 Cb 0.62 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1f68 h LEU 741 CO -0.03 0.30 -0.13 0.00 -0.34 0.00 0.00 178.44 178.24 1f68 h ALA 742 N 1.26 -0.15 -0.19 1.25 0.00 -0.45 0.17 119.26 121.14 1f68 h ALA 742 Ca 0.22 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1f68 h ALA 742 Cb 0.09 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1f68 h ALA 742 CO -0.13 -0.62 -0.06 1.96 0.00 0.00 0.00 179.25 180.40 1f68 h GLN 743 N -0.22 -0.02 -0.13 0.00 4.20 -0.77 0.14 115.11 118.32 1f68 h GLN 743 Ca 0.04 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1f68 h GLN 743 Cb 0.27 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1f68 h GLN 743 CO -0.12 -0.01 -0.19 0.82 -0.67 0.00 0.00 178.83 178.66 1f68 h ILE 744 N -0.02 0.52 -0.96 2.54 2.04 -0.66 0.72 117.51 121.70 1f68 h ILE 744 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1f68 h ILE 744 Cb 0.16 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1f68 h ILE 744 CO -0.21 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.66 1f68 h LYS 745 N -0.24 1.28 -0.79 2.37 1.57 -0.36 -2.48 116.57 117.92 1f68 h LYS 745 Ca 0.10 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1f68 h LYS 745 Cb 0.38 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1f68 h LYS 745 CO -0.27 0.86 0.33 0.77 -0.57 0.00 0.00 179.45 180.58 1f68 h SER 746 N 1.31 1.08 -1.91 0.86 0.02 -0.01 -3.43 113.55 111.46 1f68 h SER 746 Ca 0.35 -0.17 -0.60 0.00 -0.84 0.00 0.00 61.79 60.53 1f68 h SER 746 Cb -0.11 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.15 1f68 h SER 746 CO -0.07 0.95 1.28 1.57 -1.14 0.00 0.00 176.83 179.41 1f68 n HIS 747 N -4.30 2.15 -0.32 3.45 -0.00 0.18 -4.86 115.22 111.52 1f68 n HIS 747 Ca 0.07 -0.05 0.20 0.00 -0.00 0.00 0.00 57.72 57.93 1f68 n HIS 747 Cb 0.18 -2.68 0.39 0.00 -0.00 0.00 0.00 29.99 27.87 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 11.47 0.13 -1.35 1.57 0.11 -1.85 0.25 132.00 142.33 1f68 h PRO 748 Ca -0.43 -0.01 0.39 0.00 0.11 0.00 0.00 66.00 66.06 1f68 h PRO 748 Cb 1.27 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1f68 h PRO 748 CO 0.96 0.08 1.14 0.77 -0.21 0.00 0.00 178.00 180.74 1f68 h SER 749 N 0.13 0.00 0.16 -2.05 0.02 -1.89 0.39 113.55 110.31 1f68 h SER 749 Ca 0.66 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.61 1f68 h SER 749 Cb 1.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1f68 h SER 749 CO -0.74 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 174.93 1f68 h ALA 750 N 0.99 1.20 -0.89 3.77 0.00 -1.15 -3.37 119.26 119.80 1f68 h ALA 750 Ca 0.64 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.76 1f68 h ALA 750 Cb 2.91 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 20.54 1f68 h ALA 750 CO -0.01 0.03 0.08 0.11 0.00 0.00 0.00 179.25 179.46 1f68 h TRP 751 N 0.00 0.06 0.00 0.00 5.08 -1.14 0.28 115.95 120.23 1f68 h TRP 751 Ca -0.00 0.06 0.00 0.00 1.08 0.00 0.00 58.89 60.03 1f68 h TRP 751 Cb 0.10 0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1f68 h TRP 751 CO 0.00 -0.32 0.00 -0.35 -1.28 0.00 0.00 178.44 176.49 1f68 n PRO 752 N -5.38 0.22 0.00 0.12 -0.05 -1.26 -3.69 135.00 124.96 1f68 n PRO 752 Ca 0.20 0.06 0.00 0.00 -0.05 0.00 0.00 63.50 63.71 1f68 n PRO 752 Cb 0.66 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.61 1f68 n PRO 752 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1f68 n PHE 753 N -1.37 0.00 -0.27 0.54 3.72 0.66 -4.73 117.46 116.01 1f68 n PHE 753 Ca 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.46 1f68 n PHE 753 Cb 0.23 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.10 -6.40 -1.08 2.86 -0.76 0.16 114.93 109.61 1f68 h MET 754 Ca 0.00 0.01 -0.62 0.00 -2.06 0.00 0.00 59.70 57.03 1f68 h MET 754 Cb 0.00 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.56 1f68 h MET 754 CO 0.00 -0.07 -0.69 -1.21 1.06 0.00 0.00 176.91 176.00 1f68 s GLU 755 N -5.98 2.25 0.60 1.72 0.41 -1.26 -0.77 118.70 115.66 1f68 s GLU 755 Ca -0.14 -1.15 -0.14 0.00 -0.41 0.00 0.00 54.97 53.12 1f68 s GLU 755 Cb 0.17 -2.28 -0.04 0.00 -1.78 0.00 0.00 34.13 30.21 1f68 s GLU 755 CO 0.70 0.46 1.04 -1.25 -0.49 0.00 0.00 175.26 175.72 1f68 s PRO 756 N -2.80 3.39 -0.55 0.39 0.04 -1.26 -4.85 135.00 129.36 1f68 s PRO 756 Ca 0.26 1.06 -0.27 0.00 0.04 0.00 0.00 61.00 62.09 1f68 s PRO 756 Cb -0.09 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1f68 s PRO 756 CO 0.17 -0.74 1.65 0.08 0.04 0.00 0.00 177.00 178.19 1f68 s VAL 757 N -2.67 3.56 0.58 -0.36 1.01 -1.26 -4.97 120.40 116.28 1f68 s VAL 757 Ca 0.61 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 1f68 s VAL 757 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1f68 s VAL 757 CO 0.41 -0.97 1.01 -0.54 0.00 0.00 0.00 175.10 175.02 1f68 s LYS 758 N 6.13 3.72 0.30 2.72 1.02 -1.26 -4.82 119.74 127.55 1f68 s LYS 758 Ca 0.62 0.84 0.04 0.00 0.02 0.00 0.00 55.97 57.49 1f68 s LYS 758 Cb -0.13 -2.10 0.66 0.00 -0.52 0.00 0.00 37.83 35.74 1f68 s LYS 758 CO 0.24 -0.47 1.81 0.87 -0.92 0.00 0.00 175.35 176.89 1f68 h LYS 759 N 0.17 0.84 -0.26 1.68 1.57 -1.93 0.17 116.57 118.81 1f68 h LYS 759 Ca -0.45 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1f68 h LYS 759 Cb 1.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1f68 h LYS 759 CO 0.62 0.56 0.14 0.66 -0.57 0.00 0.00 179.45 180.85 1f68 h SER 760 N 0.86 0.31 0.02 0.86 4.64 -1.98 -2.31 113.55 115.95 1f68 h SER 760 Ca 0.54 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.75 1f68 h SER 760 Cb 0.71 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1f68 h SER 760 CO -0.32 0.26 -0.47 -0.33 -0.87 0.00 0.00 176.83 175.11 1f68 h GLU 761 N 0.36 0.03 -1.61 4.77 5.08 -1.12 -3.45 114.58 118.65 1f68 h GLU 761 Ca 0.09 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 1f68 h GLU 761 Cb 0.02 0.02 -0.27 0.00 0.50 0.00 0.00 28.75 29.03 1f68 h GLU 761 CO -0.02 1.03 -0.62 0.00 -1.00 0.00 0.00 179.01 178.40 1f68 s ALA 762 N -2.29 -1.02 0.23 3.43 0.00 -0.12 -5.01 121.76 116.99 1f68 s ALA 762 Ca -0.21 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1f68 s ALA 762 Cb 0.00 -2.29 0.24 0.00 0.00 0.00 0.00 23.12 21.07 1f68 s ALA 762 CO 0.68 -2.17 1.90 -1.00 0.00 0.00 0.00 175.76 175.17 1f68 h PRO 763 N 6.72 1.14 -1.38 0.00 0.13 -1.63 -0.60 132.00 136.38 1f68 h PRO 763 Ca 0.07 -0.07 0.41 0.00 -0.87 0.00 0.00 66.00 65.54 1f68 h PRO 763 Cb 1.09 -0.26 -0.08 0.00 0.13 0.00 0.00 31.00 31.88 1f68 h PRO 763 CO 0.16 0.75 0.95 0.38 -0.23 0.00 0.00 178.00 180.02 1f68 h ASP 764 N 1.17 0.14 -0.74 1.44 2.03 -1.95 0.16 116.42 118.66 1f68 h ASP 764 Ca 0.34 0.05 0.15 0.00 -0.73 0.00 0.00 57.03 56.84 1f68 h ASP 764 Cb -0.08 0.04 -0.10 0.00 -0.83 0.00 0.00 39.33 38.36 1f68 h ASP 764 CO -0.09 -0.03 0.26 0.22 -1.03 0.00 0.00 179.24 178.56 1f68 h TYR 765 N 0.09 0.42 0.00 4.15 5.03 -1.49 0.55 116.97 125.72 1f68 h TYR 765 Ca 0.72 0.04 0.00 0.00 2.58 0.00 0.00 58.73 62.07 1f68 h TYR 765 Cb 2.57 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 40.77 1f68 h TYR 765 CO -0.00 0.01 0.00 0.66 -1.32 0.00 0.00 178.16 177.51 1f68 n TYR 766 N -5.06 0.00 -0.06 -3.82 4.02 0.55 0.00 117.16 112.80 1f68 n TYR 766 Ca 0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.83 1f68 n TYR 766 Cb 0.43 -0.34 -0.13 0.00 -0.02 0.00 0.00 39.34 39.28 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 0.09 0.00 -0.72 5.08 -0.94 -3.43 114.58 114.67 1f68 h GLU 767 Ca 0.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1f68 h GLU 767 Cb 0.34 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1f68 h GLU 767 CO 0.00 1.08 -0.00 0.28 -1.00 0.00 0.00 179.01 179.36 1f68 h VAL 768 N -0.71 0.00 -1.33 3.13 2.07 -0.96 -3.42 116.25 115.03 1f68 h VAL 768 Ca -0.29 -0.96 -0.65 0.00 0.82 0.00 0.00 66.70 65.62 1f68 h VAL 768 Cb 1.45 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 1f68 h VAL 768 CO -0.08 0.00 1.60 -0.63 0.02 0.00 0.00 177.57 178.48 1f68 s ILE 769 N -1.55 4.21 -0.64 4.57 -1.09 0.10 -4.84 121.20 121.95 1f68 s ILE 769 Ca -0.00 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.00 1f68 s ILE 769 Cb 0.00 -5.05 0.00 0.00 -1.58 0.00 0.00 42.46 35.83 1f68 s ILE 769 CO 0.00 -1.87 0.21 0.54 -1.23 0.00 0.00 174.94 172.59 1f68 n ARG 770 N 8.08 0.30 -2.91 2.79 5.12 -1.26 -3.75 116.66 125.04 1f68 n ARG 770 Ca 0.37 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.16 1f68 n ARG 770 Cb 0.48 -1.22 0.04 0.00 -1.16 0.00 0.00 32.46 30.60 1f68 n ARG 770 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1f68 n PHE 771 N 0.53 -1.14 -1.76 -1.55 3.72 -1.26 -5.11 117.46 110.89 1f68 n PHE 771 Ca 0.00 -2.87 -0.43 0.00 -0.05 0.00 0.00 57.45 54.10 1f68 n PHE 771 Cb 0.10 0.57 -0.03 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.22 3.64 -0.09 -1.08 0.04 -1.25 -4.94 135.00 130.11 1f68 s PRO 772 Ca 0.30 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 63.22 1f68 s PRO 772 Cb 0.35 -4.21 0.05 0.00 0.04 0.00 0.00 34.50 30.73 1f68 s PRO 772 CO -0.06 -1.51 0.56 -1.50 0.04 0.00 0.00 177.00 174.53 1f68 s ILE 773 N 6.21 0.01 0.37 0.56 -1.16 -1.26 -5.10 121.20 120.83 1f68 s ILE 773 Ca 0.89 -0.12 -0.16 0.00 -0.51 0.00 0.00 60.65 60.75 1f68 s ILE 773 Cb -0.34 -0.85 0.05 0.00 0.61 0.00 0.00 42.46 41.93 1f68 s ILE 773 CO 0.36 -0.07 0.76 1.51 -2.81 0.00 0.00 174.94 174.69 1f68 s ASP 774 N -0.83 0.01 0.30 4.50 -4.77 -1.26 -4.80 116.67 109.81 1f68 s ASP 774 Ca -0.09 -1.09 0.01 0.00 -3.30 0.00 0.00 52.55 48.09 1f68 s ASP 774 Cb -0.02 0.83 0.46 0.00 -1.09 0.00 0.00 42.92 43.09 1f68 s ASP 774 CO 0.06 -1.62 1.81 -0.07 0.70 0.00 0.00 175.17 176.04 1f68 h LEU 775 N 2.01 0.61 0.08 2.11 4.07 -1.08 0.75 115.31 123.85 1f68 h LEU 775 Ca -0.30 -0.14 0.02 0.00 0.08 0.00 0.00 57.88 57.54 1f68 h LEU 775 Cb 1.25 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.79 1f68 h LEU 775 CO 0.38 0.70 -0.25 0.50 -1.08 0.00 0.00 178.44 178.69 1f68 h LYS 776 N 0.60 -0.42 -0.60 1.13 3.64 -1.12 0.22 116.57 120.02 1f68 h LYS 776 Ca 0.12 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1f68 h LYS 776 Cb 0.42 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1f68 h LYS 776 CO 0.02 -0.28 0.23 1.15 -2.27 0.00 0.00 179.45 178.30 1f68 h THR 777 N -0.43 0.78 -1.00 1.00 2.02 -1.63 0.71 112.91 114.36 1f68 h THR 777 Ca 0.04 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1f68 h THR 777 Cb 0.47 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1f68 h THR 777 CO -0.16 0.07 0.64 0.24 0.37 0.00 0.00 175.52 176.68 1f68 h MET 778 N 0.41 1.08 -0.17 6.66 2.86 -0.35 0.88 114.93 126.31 1f68 h MET 778 Ca 0.30 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1f68 h MET 778 Cb 0.37 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1f68 h MET 778 CO -0.30 0.72 0.11 1.15 1.06 0.00 0.00 176.91 179.64 1f68 h THR 779 N 1.11 1.06 -0.25 2.22 2.02 0.16 0.22 112.91 119.45 1f68 h THR 779 Ca 0.45 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.52 1f68 h THR 779 Cb 0.26 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1f68 h THR 779 CO -0.19 0.05 0.11 -0.33 0.37 0.00 0.00 175.52 175.53 1f68 h GLU 780 N 0.21 0.23 -0.59 6.66 4.39 -0.34 -0.18 114.58 124.98 1f68 h GLU 780 Ca 0.06 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.79 1f68 h GLU 780 Cb -0.00 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 1f68 h GLU 780 CO -0.01 0.15 0.33 0.00 -1.16 0.00 0.00 179.01 178.33 1f68 h ARG 781 N 0.24 0.63 0.10 2.33 3.08 -0.59 0.15 114.38 120.32 1f68 h ARG 781 Ca 0.11 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1f68 h ARG 781 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1f68 h ARG 781 CO -0.09 0.42 -0.12 1.25 -1.07 0.00 0.00 179.97 180.36 1f68 h LEU 782 N 0.65 -0.32 -1.63 3.04 6.46 -0.16 0.58 115.31 123.93 1f68 h LEU 782 Ca 0.25 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.10 1f68 h LEU 782 Cb 0.09 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1f68 h LEU 782 CO -0.13 -0.18 0.35 0.03 -0.62 0.00 0.00 178.44 177.88 1f68 h ARG 783 N -0.25 0.44 0.00 1.25 2.47 -0.59 0.81 114.38 118.50 1f68 h ARG 783 Ca 0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1f68 h ARG 783 Cb 0.25 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1f68 h ARG 783 CO -0.05 0.29 0.00 0.43 0.56 0.00 0.00 179.97 181.20 1f68 n SER 784 N -4.47 0.00 -3.72 7.04 7.64 0.50 -4.89 113.62 115.71 1f68 n SER 784 Ca 0.07 -1.31 -0.28 0.00 1.01 0.00 0.00 58.87 58.36 1f68 n SER 784 Cb 0.25 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.83 -5.29 -0.20 1.43 3.00 0.28 -4.89 116.66 110.16 1f68 n ARG 785 Ca 0.15 0.62 -0.07 0.00 -0.01 0.00 0.00 57.85 58.55 1f68 n ARG 785 Cb 0.07 -5.50 0.03 0.00 0.00 0.00 0.00 32.46 27.06 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1f68 h TYR 786 N -1.89 0.76 0.00 -1.55 5.03 -1.12 -3.34 116.97 114.87 1f68 h TYR 786 Ca -0.55 -0.01 -0.62 0.00 2.58 0.00 0.00 58.73 60.12 1f68 h TYR 786 Cb 1.36 -0.25 0.02 0.00 1.55 0.00 0.00 36.73 39.41 1f68 h TYR 786 CO 0.58 0.54 3.43 0.66 -1.32 0.00 0.00 178.16 182.04 1f68 n TYR 787 N -4.62 2.41 0.28 -3.82 4.01 -1.26 -4.64 117.16 109.52 1f68 n TYR 787 Ca 0.03 -2.81 0.11 0.00 -0.16 0.00 0.00 57.90 55.08 1f68 n TYR 787 Cb 0.07 -2.32 0.77 0.00 -0.31 0.00 0.00 39.34 37.55 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 3.34 0.76 -3.98 -0.72 -1.51 -1.98 -3.39 116.25 108.77 1f68 h VAL 788 Ca 0.73 -0.03 -0.43 0.00 -1.23 0.00 0.00 66.70 65.74 1f68 h VAL 788 Cb 0.35 1.02 -0.30 0.00 -2.13 0.00 0.00 31.29 30.23 1f68 h VAL 788 CO 1.76 0.01 -0.79 0.42 -1.23 0.00 0.00 177.57 177.73 1f68 s THR 789 N -4.82 0.84 0.55 7.19 -4.23 -1.26 -5.04 115.64 108.87 1f68 s THR 789 Ca -0.05 -0.43 0.24 0.00 -1.18 0.00 0.00 61.69 60.27 1f68 s THR 789 Cb 0.16 -0.72 0.33 0.00 1.34 0.00 0.00 72.50 73.61 1f68 s THR 789 CO 0.61 0.25 2.13 -0.09 -0.54 0.00 0.00 174.62 176.97 1f68 h ARG 790 N 6.08 0.00 -0.99 3.99 2.43 -1.99 -0.17 114.38 123.73 1f68 h ARG 790 Ca -0.32 0.00 0.29 0.00 -0.81 0.00 0.00 59.98 59.13 1f68 h ARG 790 Cb 1.17 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1f68 h ARG 790 CO 0.49 0.00 0.54 -0.22 -1.51 0.00 0.00 179.97 179.28 1f68 h LYS 791 N 0.00 0.39 -0.46 0.20 1.63 -1.96 0.28 116.57 116.65 1f68 h LYS 791 Ca 0.07 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.76 1f68 h LYS 791 Cb 0.32 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1f68 h LYS 791 CO -0.00 0.26 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.13 1f68 h LEU 792 N 0.40 0.78 -0.14 5.20 3.38 -1.40 0.12 115.31 123.65 1f68 h LEU 792 Ca 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1f68 h LEU 792 Cb 1.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1f68 h LEU 792 CO -0.56 0.88 0.04 0.15 0.09 0.00 0.00 178.44 179.04 1f68 h PHE 793 N 0.74 0.23 -0.18 1.13 3.04 -0.66 0.09 116.94 121.32 1f68 h PHE 793 Ca 0.13 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.11 1f68 h PHE 793 Cb 0.53 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 1f68 h PHE 793 CO 0.03 0.35 -0.18 0.28 -2.02 0.00 0.00 178.31 176.77 1f68 h VAL 794 N 0.03 0.52 -0.07 1.41 2.07 -0.66 0.13 116.25 119.69 1f68 h VAL 794 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1f68 h VAL 794 Cb 0.24 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1f68 h VAL 794 CO -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.33 1f68 h ALA 795 N 0.87 -0.31 0.01 1.67 0.00 -0.61 0.37 119.26 121.27 1f68 h ALA 795 Ca 0.11 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1f68 h ALA 795 Cb 0.37 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1f68 h ALA 795 CO -0.30 -0.75 -0.06 -0.44 0.00 0.00 0.00 179.25 177.71 1f68 h ASP 796 N -0.37 -0.16 -0.07 0.00 5.19 -0.57 0.27 116.42 120.71 1f68 h ASP 796 Ca 0.08 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1f68 h ASP 796 Cb 0.48 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1f68 h ASP 796 CO -0.27 -0.09 -0.04 0.25 -3.12 0.00 0.00 179.24 175.97 1f68 h LEU 797 N -0.11 -0.13 -1.45 1.55 7.12 -0.54 0.16 115.31 121.91 1f68 h LEU 797 Ca 0.02 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 1f68 h LEU 797 Cb 0.13 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1f68 h LEU 797 CO -0.05 -0.06 0.21 1.56 -0.13 0.00 0.00 178.44 179.97 1f68 h GLN 798 N -0.04 0.58 -0.65 1.25 4.20 -0.76 -1.09 115.11 118.59 1f68 h GLN 798 Ca 0.04 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1f68 h GLN 798 Cb 0.10 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1f68 h GLN 798 CO -0.10 0.45 0.10 -0.09 -0.67 0.00 0.00 178.83 178.51 1f68 h ARG 799 N 0.58 1.08 -0.14 1.46 2.43 0.72 0.19 114.38 120.70 1f68 h ARG 799 Ca 0.15 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1f68 h ARG 799 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1f68 h ARG 799 CO -0.02 1.00 0.03 0.28 -1.51 0.00 0.00 179.97 179.75 1f68 h VAL 800 N 1.00 0.94 -0.35 0.20 2.07 0.13 0.19 116.25 120.43 1f68 h VAL 800 Ca 0.20 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.74 1f68 h VAL 800 Cb 0.45 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1f68 h VAL 800 CO 0.01 0.02 0.02 0.40 0.02 0.00 0.00 177.57 178.05 1f68 h ILE 801 N 0.09 0.77 0.04 4.57 2.04 -0.95 -0.24 117.51 123.82 1f68 h ILE 801 Ca 0.06 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1f68 h ILE 801 Cb 0.05 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1f68 h ILE 801 CO -0.08 0.02 -0.16 0.00 0.00 0.00 0.00 178.15 177.93 1f68 h ALA 802 N 1.29 -0.23 -0.45 1.87 0.00 -0.20 0.09 119.26 121.63 1f68 h ALA 802 Ca 0.17 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1f68 h ALA 802 Cb 0.22 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 1f68 h ALA 802 CO -0.26 -0.67 -0.23 -0.91 0.00 0.00 0.00 179.25 177.18 1f68 h ASN 803 N -0.29 -0.78 0.14 0.00 4.21 -0.29 0.21 115.58 118.78 1f68 h ASN 803 Ca 0.04 0.17 0.02 0.00 1.21 0.00 0.00 56.30 57.74 1f68 h ASN 803 Cb 0.34 0.41 -0.04 0.00 -1.12 0.00 0.00 38.32 37.91 1f68 h ASN 803 CO -0.13 -0.25 -0.33 0.00 -1.29 0.00 0.00 177.43 175.43 1f68 h ARG 805 N -0.57 0.44 -0.10 0.00 3.08 -0.33 0.15 114.38 117.06 1f68 h ARG 805 Ca 0.02 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1f68 h ARG 805 Cb 0.59 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1f68 h ARG 805 CO -0.18 0.54 -0.04 0.93 -1.07 0.00 0.00 179.97 180.16 1f68 h GLU 806 N 0.42 0.21 -0.14 0.04 4.39 -0.42 -3.35 114.58 115.74 1f68 h GLU 806 Ca 0.08 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1f68 h GLU 806 Cb 0.41 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1f68 h GLU 806 CO 0.02 0.54 -0.46 -0.92 -1.16 0.00 0.00 179.01 177.04 1f68 h TYR 807 N -0.13 0.73 -3.01 4.33 3.20 -0.47 -3.45 116.97 118.16 1f68 h TYR 807 Ca 0.02 -0.30 -0.67 0.00 3.14 0.00 0.00 58.73 60.93 1f68 h TYR 807 Cb 0.47 -0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.51 1f68 h TYR 807 CO 0.06 1.06 -0.55 -0.80 -1.64 0.00 0.00 178.16 176.29 1f68 s ASN 808 N -6.64 5.80 0.77 -2.11 0.01 0.49 -5.09 114.94 108.17 1f68 s ASN 808 Ca -0.13 0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 52.19 1f68 s ASN 808 Cb 0.06 -1.80 0.06 0.00 0.41 0.00 0.00 41.25 39.99 1f68 s ASN 808 CO 0.83 0.37 1.11 -2.16 -1.51 0.00 0.00 177.10 175.74 1f68 s PRO 809 N -0.81 2.12 0.23 -0.60 0.04 -1.26 -4.59 135.00 130.13 1f68 s PRO 809 Ca 0.13 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 1f68 s PRO 809 Cb -0.12 -1.87 0.33 0.00 0.04 0.00 0.00 34.50 32.89 1f68 s PRO 809 CO 0.03 -1.77 1.61 -1.35 0.04 0.00 0.00 177.00 175.56 1f68 h PRO 810 N -1.00 0.02 -4.43 0.56 0.11 -1.98 -2.84 132.00 122.45 1f68 h PRO 810 Ca -0.44 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.01 1f68 h PRO 810 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1f68 h PRO 810 CO 0.50 0.01 2.59 -3.47 -0.21 0.00 0.00 178.00 177.42 1f68 n ASP 811 N -5.46 3.33 -3.89 -2.05 2.03 -1.26 -4.71 116.55 104.55 1f68 n ASP 811 Ca 0.11 -2.77 -0.10 0.00 0.52 0.00 0.00 54.79 52.54 1f68 n ASP 811 Cb 0.40 -1.44 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 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 4.23 0.08 0.20 1.67 1.04 -1.07 -5.03 113.70 114.82 1f68 s SER 812 Ca 0.53 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 1f68 s SER 812 Cb 0.13 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.65 1f68 s SER 812 CO 0.02 -0.45 1.84 -0.33 0.98 0.00 0.00 173.24 175.30 1f68 h GLU 813 N 3.94 0.77 -0.40 4.02 5.08 -1.90 -2.58 114.58 123.51 1f68 h GLU 813 Ca -0.32 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1f68 h GLU 813 Cb 1.19 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 30.18 1f68 h GLU 813 CO 0.45 0.51 -0.26 1.88 -1.00 0.00 0.00 179.01 180.59 1f68 h TYR 814 N 0.79 -0.70 -0.69 4.33 -1.99 -1.95 0.23 116.97 116.99 1f68 h TYR 814 Ca 0.27 0.05 -0.03 0.00 2.00 0.00 0.00 58.73 61.02 1f68 h TYR 814 Cb 0.04 0.37 -0.03 0.00 2.00 0.00 0.00 36.73 39.10 1f68 h TYR 814 CO -0.05 -0.33 0.32 0.00 -0.00 0.00 0.00 178.16 178.10 1f68 h ARG 816 N 0.97 0.35 -0.35 0.00 3.08 -1.00 0.39 114.38 117.82 1f68 h ARG 816 Ca 0.24 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1f68 h ARG 816 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1f68 h ARG 816 CO -0.03 0.26 0.09 0.00 -1.07 0.00 0.00 179.97 179.23 1f68 h ALA 818 N 1.25 0.91 -0.30 0.00 0.00 -0.46 0.15 119.26 120.80 1f68 h ALA 818 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1f68 h ALA 818 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1f68 h ALA 818 CO -0.20 0.13 0.18 0.77 0.00 0.00 0.00 179.25 180.13 1f68 h SER 819 N 0.77 0.36 -0.41 0.00 0.02 -0.02 0.19 113.55 114.46 1f68 h SER 819 Ca 0.29 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1f68 h SER 819 Cb 0.10 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1f68 h SER 819 CO -0.14 0.31 0.27 0.00 -1.14 0.00 0.00 176.83 176.12 1f68 h ALA 820 N 1.07 0.52 -0.20 3.77 0.00 -0.36 0.28 119.26 124.34 1f68 h ALA 820 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1f68 h ALA 820 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1f68 h ALA 820 CO -0.02 -0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.42 1f68 h LEU 821 N 0.55 -0.18 0.15 0.00 5.85 -0.43 0.85 115.31 122.12 1f68 h LEU 821 Ca 0.15 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1f68 h LEU 821 Cb -0.05 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1f68 h LEU 821 CO -0.03 -0.06 -0.29 -0.08 -0.34 0.00 0.00 178.44 177.64 1f68 h GLU 822 N 0.01 -0.51 0.14 1.25 4.81 -0.31 0.18 114.58 120.15 1f68 h GLU 822 Ca 0.10 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1f68 h GLU 822 Cb 0.14 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1f68 h GLU 822 CO -0.20 -0.34 -0.23 -0.22 -0.73 0.00 0.00 179.01 177.29 1f68 h LYS 823 N -0.53 -0.43 -0.20 1.92 3.11 -0.70 0.12 116.57 119.87 1f68 h LYS 823 Ca 0.02 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.94 1f68 h LYS 823 Cb 0.54 0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 31.81 1f68 h LYS 823 CO -0.15 -0.28 -0.14 0.35 -2.81 0.00 0.00 179.45 176.42 1f68 h PHE 824 N -0.44 -0.34 0.25 1.91 3.04 -0.66 0.62 116.94 121.32 1f68 h PHE 824 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1f68 h PHE 824 Cb 0.45 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 1f68 h PHE 824 CO -0.20 -0.20 -0.25 0.35 -2.02 0.00 0.00 178.31 175.99 1f68 h PHE 825 N -0.13 -0.66 -0.90 0.41 3.57 -0.40 0.16 116.94 118.99 1f68 h PHE 825 Ca 0.12 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1f68 h PHE 825 Cb 0.31 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 1f68 h PHE 825 CO -0.29 -0.36 0.54 1.88 -2.23 0.00 0.00 178.31 177.85 1f68 h TYR 826 N -0.53 1.00 0.09 0.41 0.05 -0.44 0.89 116.97 118.45 1f68 h TYR 826 Ca -0.01 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1f68 h TYR 826 Cb 0.49 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1f68 h TYR 826 CO -0.16 0.44 -0.05 0.35 -1.05 0.00 0.00 178.16 177.69 1f68 h PHE 827 N 0.93 -0.12 -0.36 4.88 3.57 -0.51 0.15 116.94 125.48 1f68 h PHE 827 Ca 0.42 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.01 1f68 h PHE 827 Cb 0.32 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1f68 h PHE 827 CO -0.03 -0.01 0.26 0.87 -2.23 0.00 0.00 178.31 177.17 1f68 h LYS 828 N -0.20 0.05 0.19 1.11 1.79 0.77 -1.39 116.57 118.89 1f68 h LYS 828 Ca -0.01 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1f68 h LYS 828 Cb 0.16 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1f68 h LYS 828 CO 0.02 0.03 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.26 1f68 h LEU 829 N 0.05 -0.22 -6.34 2.94 3.38 -0.71 -3.39 115.31 111.03 1f68 h LEU 829 Ca 0.17 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 57.40 1f68 h LEU 829 Cb 0.61 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 1f68 h LEU 829 CO -0.01 0.02 2.27 0.29 0.09 0.00 0.00 178.44 181.09 1f68 n LYS 830 N -3.64 3.47 -1.46 1.13 5.02 0.52 -4.92 118.16 118.27 1f68 n LYS 830 Ca -0.03 -3.33 -0.39 0.00 -2.02 0.00 0.00 58.31 52.53 1f68 n LYS 830 Cb 0.10 -3.00 -0.05 0.00 -0.02 0.00 0.00 35.03 32.06 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 4.31 1.66 0.00 1.97 1.02 -0.61 -4.62 120.64 124.36 1f68 n GLU 831 Ca 0.42 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 1f68 n GLU 831 Cb 0.37 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72