#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 3.47 -0.26 1.61 -0.08 -1.26 -4.74 116.55 115.29 1f68 n ASP 731 Ca 0.00 -2.78 0.02 0.00 -1.51 0.00 0.00 54.79 50.52 1f68 n ASP 731 Cb 0.00 -1.49 0.15 0.00 2.34 0.00 0.00 41.12 42.12 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 7.25 0.65 0.24 -0.67 1.08 -2.05 -0.41 115.11 121.21 1f68 h GLN 732 Ca 0.47 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1f68 h GLN 732 Cb 0.71 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 1f68 h GLN 732 CO 1.79 0.43 -0.40 1.25 -0.95 0.00 0.00 178.83 180.95 1f68 h LEU 733 N 0.67 -1.16 -0.66 1.46 5.85 -1.99 0.19 115.31 119.67 1f68 h LEU 733 Ca 0.37 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.24 1f68 h LEU 733 Cb 0.38 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1f68 h LEU 733 CO -0.27 -0.47 0.40 0.22 -0.34 0.00 0.00 178.44 177.97 1f68 h TYR 734 N -0.68 0.74 -0.47 1.25 3.20 -1.84 0.11 116.97 119.27 1f68 h TYR 734 Ca -0.03 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1f68 h TYR 734 Cb 0.63 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1f68 h TYR 734 CO -0.32 0.40 0.20 1.15 -1.64 0.00 0.00 178.16 177.96 1f68 h THR 735 N 0.76 0.90 -0.29 1.81 2.02 -0.88 0.92 112.91 118.17 1f68 h THR 735 Ca 0.27 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1f68 h THR 735 Cb 0.07 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1f68 h THR 735 CO -0.13 0.07 0.15 0.74 0.37 0.00 0.00 175.52 176.72 1f68 h THR 736 N 0.41 1.14 -0.49 3.16 2.02 0.46 -0.06 112.91 119.54 1f68 h THR 736 Ca 0.22 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.06 1f68 h THR 736 Cb 0.17 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1f68 h THR 736 CO -0.19 0.14 0.22 -0.07 0.37 0.00 0.00 175.52 176.00 1f68 h LEU 737 N 0.33 0.29 -0.23 2.58 3.38 -0.29 0.30 115.31 121.67 1f68 h LEU 737 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1f68 h LEU 737 Cb 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1f68 h LEU 737 CO -0.01 0.20 0.14 0.50 0.09 0.00 0.00 178.44 179.36 1f68 h LYS 738 N 0.43 0.32 -0.91 1.13 3.64 -0.52 0.95 116.57 121.61 1f68 h LYS 738 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1f68 h LYS 738 Cb 0.17 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1f68 h LYS 738 CO -0.18 0.27 0.54 -0.91 -2.27 0.00 0.00 179.45 176.90 1f68 h ASN 739 N 0.28 1.10 0.12 4.20 2.35 -0.60 0.81 115.58 123.85 1f68 h ASN 739 Ca 0.08 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1f68 h ASN 739 Cb 0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1f68 h ASN 739 CO -0.01 0.85 -0.06 0.25 -1.65 0.00 0.00 177.43 176.81 1f68 h LEU 740 N 1.26 -0.13 -0.41 1.61 5.85 0.06 0.56 115.31 124.11 1f68 h LEU 740 Ca 0.33 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1f68 h LEU 740 Cb -0.04 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1f68 h LEU 740 CO -0.06 -0.02 0.14 0.25 -0.34 0.00 0.00 178.44 178.42 1f68 h LEU 741 N -0.24 0.15 -0.11 2.25 5.85 -0.56 0.12 115.31 122.77 1f68 h LEU 741 Ca -0.02 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1f68 h LEU 741 Cb 0.20 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1f68 h LEU 741 CO 0.03 0.12 -0.04 0.00 -0.34 0.00 0.00 178.44 178.21 1f68 h ALA 742 N 1.27 0.06 -0.63 1.25 0.00 -0.64 0.82 119.26 121.39 1f68 h ALA 742 Ca 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1f68 h ALA 742 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1f68 h ALA 742 CO -0.20 -0.50 0.39 1.96 0.00 0.00 0.00 179.25 180.90 1f68 h GLN 743 N -0.02 0.85 0.10 0.00 4.20 -0.51 0.16 115.11 119.89 1f68 h GLN 743 Ca 0.06 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1f68 h GLN 743 Cb 0.10 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1f68 h GLN 743 CO -0.12 0.60 -0.31 0.82 -0.67 0.00 0.00 178.83 179.14 1f68 h ILE 744 N 0.85 0.32 -0.98 2.54 2.04 -0.42 0.15 117.51 122.02 1f68 h ILE 744 Ca 0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 1f68 h ILE 744 Cb -0.04 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1f68 h ILE 744 CO -0.04 0.00 0.62 0.11 0.00 0.00 0.00 178.15 178.84 1f68 h LYS 745 N -0.52 1.07 -0.68 2.37 1.57 -0.38 -1.73 116.57 118.26 1f68 h LYS 745 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1f68 h LYS 745 Cb 0.56 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1f68 h LYS 745 CO -0.20 0.71 0.33 0.77 -0.57 0.00 0.00 179.45 180.49 1f68 h SER 746 N 1.10 0.89 -1.85 0.86 0.02 -0.15 -3.42 113.55 111.00 1f68 h SER 746 Ca 0.44 -0.13 -0.60 0.00 -0.84 0.00 0.00 61.79 60.66 1f68 h SER 746 Cb 0.24 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1f68 h SER 746 CO -0.20 0.76 1.47 1.57 -1.14 0.00 0.00 176.83 179.30 1f68 n HIS 747 N -4.46 1.93 -0.30 3.45 -0.00 0.49 -4.86 115.22 111.46 1f68 n HIS 747 Ca 0.05 -0.07 0.13 0.00 -0.00 0.00 0.00 57.72 57.83 1f68 n HIS 747 Cb 0.12 -2.70 0.29 0.00 -0.00 0.00 0.00 29.99 27.70 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 14.44 0.14 -0.56 1.57 0.11 -1.83 -0.13 132.00 145.75 1f68 h PRO 748 Ca -0.39 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.87 1f68 h PRO 748 Cb 1.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1f68 h PRO 748 CO 0.97 0.09 0.73 0.77 -0.21 0.00 0.00 178.00 180.35 1f68 h SER 749 N 0.15 0.00 -0.03 -2.05 0.02 -1.89 -0.15 113.55 109.60 1f68 h SER 749 Ca 0.56 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.52 1f68 h SER 749 Cb 1.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1f68 h SER 749 CO -0.71 0.00 0.04 0.00 -1.14 0.00 0.00 176.83 175.01 1f68 h ALA 750 N 1.07 1.50 -0.98 3.77 0.00 -1.23 -3.37 119.26 120.02 1f68 h ALA 750 Ca 0.26 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.38 1f68 h ALA 750 Cb 1.72 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 19.32 1f68 h ALA 750 CO -0.00 -0.05 -0.20 0.11 0.00 0.00 0.00 179.25 179.11 1f68 h TRP 751 N 0.00 -0.44 -0.36 0.00 5.08 -1.24 -0.77 115.95 118.22 1f68 h TRP 751 Ca 0.01 0.08 0.02 0.00 1.08 0.00 0.00 58.89 60.09 1f68 h TRP 751 Cb 0.09 0.35 -0.02 0.00 -3.00 0.00 0.00 29.16 26.58 1f68 h TRP 751 CO 0.00 -0.42 0.24 -1.35 -1.28 0.00 0.00 178.44 175.63 1f68 h PRO 752 N 0.00 0.41 -0.52 0.12 0.11 -1.87 -2.67 132.00 127.59 1f68 h PRO 752 Ca 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1f68 h PRO 752 Cb 0.80 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1f68 h PRO 752 CO -0.99 0.27 0.00 1.19 -0.21 0.00 0.00 178.00 178.26 1f68 n PHE 753 N -4.48 0.69 -0.28 0.65 3.72 -0.30 -4.42 117.46 113.03 1f68 n PHE 753 Ca 0.03 -0.34 -0.04 0.00 -0.05 0.00 0.00 57.45 57.05 1f68 n PHE 753 Cb 0.12 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.73 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 3.48 1.01 -6.52 -1.08 2.86 -1.49 0.11 114.93 113.30 1f68 h MET 754 Ca 0.00 -0.06 -0.64 0.00 -2.06 0.00 0.00 59.70 56.94 1f68 h MET 754 Cb 0.79 -0.23 -0.19 0.00 0.06 0.00 0.00 31.60 32.03 1f68 h MET 754 CO 0.00 0.67 -0.82 -1.21 1.06 0.00 0.00 176.91 176.61 1f68 s GLU 755 N -6.13 1.47 0.70 1.72 0.41 -1.26 -2.33 118.70 113.28 1f68 s GLU 755 Ca -0.13 -1.50 -0.14 0.00 -0.41 0.00 0.00 54.97 52.79 1f68 s GLU 755 Cb 0.15 -1.77 0.02 0.00 -1.78 0.00 0.00 34.13 30.76 1f68 s GLU 755 CO 0.78 0.38 1.13 -1.25 -0.49 0.00 0.00 175.26 175.81 1f68 s PRO 756 N -2.65 2.50 0.48 0.39 0.04 -1.26 -4.85 135.00 129.65 1f68 s PRO 756 Ca 0.20 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 1f68 s PRO 756 Cb -0.08 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1f68 s PRO 756 CO 0.09 -1.49 1.28 0.08 0.04 0.00 0.00 177.00 176.99 1f68 s VAL 757 N -2.36 2.58 -0.91 -0.36 1.01 -1.26 -4.87 120.40 114.23 1f68 s VAL 757 Ca 0.68 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 1f68 s VAL 757 Cb -0.22 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1f68 s VAL 757 CO 0.45 0.01 1.65 -0.54 0.00 0.00 0.00 175.10 176.67 1f68 s LYS 758 N -2.67 3.08 0.29 2.72 1.02 -1.26 -4.82 119.74 118.10 1f68 s LYS 758 Ca 0.65 -0.56 0.08 0.00 0.02 0.00 0.00 55.97 56.16 1f68 s LYS 758 Cb -0.36 -5.03 0.85 0.00 -0.52 0.00 0.00 37.83 32.78 1f68 s LYS 758 CO 0.43 -2.67 1.34 1.63 -0.92 0.00 0.00 175.35 175.16 1f68 n LYS 759 N 8.96 -0.06 -0.33 1.68 5.02 -1.26 -0.16 118.16 132.01 1f68 n LYS 759 Ca 0.31 1.24 -0.01 0.00 -2.02 0.00 0.00 58.31 57.83 1f68 n LYS 759 Cb 0.49 -2.07 0.12 0.00 -0.02 0.00 0.00 35.03 33.56 1f68 n LYS 759 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f68 h SER 760 N 0.00 0.95 0.09 4.39 4.64 -1.99 -2.05 113.55 119.59 1f68 h SER 760 Ca 0.60 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.70 1f68 h SER 760 Cb 1.40 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1f68 h SER 760 CO -0.75 0.65 -1.12 -0.33 -0.87 0.00 0.00 176.83 174.41 1f68 h GLU 761 N 1.11 0.19 -2.16 4.77 5.08 -0.95 -3.42 114.58 119.19 1f68 h GLU 761 Ca 0.36 -0.32 -0.58 0.00 -1.00 0.00 0.00 59.36 57.82 1f68 h GLU 761 Cb 0.03 0.12 -0.41 0.00 0.50 0.00 0.00 28.75 28.99 1f68 h GLU 761 CO -0.13 1.15 -0.83 0.00 -1.00 0.00 0.00 179.01 178.21 1f68 n ALA 762 N -2.94 3.28 -0.25 3.43 0.00 -0.02 -4.94 120.51 119.07 1f68 n ALA 762 Ca -0.22 -4.10 0.05 0.00 0.00 0.00 0.00 53.44 49.17 1f68 n ALA 762 Cb 0.80 -0.86 0.17 0.00 0.00 0.00 0.00 19.45 19.57 1f68 n ALA 762 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f68 h PRO 763 N 4.23 0.20 -1.17 0.00 0.11 -1.60 -0.55 132.00 133.21 1f68 h PRO 763 Ca 0.15 -0.01 0.35 0.00 0.11 0.00 0.00 66.00 66.59 1f68 h PRO 763 Cb 0.77 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 31.73 1f68 h PRO 763 CO 0.65 0.14 0.76 0.38 -0.21 0.00 0.00 178.00 179.71 1f68 h ASP 764 N 0.21 0.33 -0.81 -2.05 2.03 -1.92 0.12 116.42 114.34 1f68 h ASP 764 Ca 0.41 0.10 0.14 0.00 -0.73 0.00 0.00 57.03 56.96 1f68 h ASP 764 Cb 0.72 0.06 -0.09 0.00 -0.83 0.00 0.00 39.33 39.19 1f68 h ASP 764 CO -0.55 -0.04 0.39 0.22 -1.03 0.00 0.00 179.24 178.22 1f68 h TYR 765 N 0.23 0.68 -0.00 4.15 3.20 -1.49 0.49 116.97 124.24 1f68 h TYR 765 Ca 0.70 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.60 1f68 h TYR 765 Cb 2.03 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.12 1f68 h TYR 765 CO -0.00 0.15 -0.13 0.66 -1.64 0.00 0.00 178.16 177.19 1f68 n TYR 766 N -4.91 0.00 0.13 -3.82 4.02 0.42 -0.23 117.16 112.77 1f68 n TYR 766 Ca 0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.83 1f68 n TYR 766 Cb 0.42 -0.35 -0.15 0.00 -0.02 0.00 0.00 39.34 39.24 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 0.13 0.48 0.02 -0.72 5.08 -0.80 -3.37 114.58 115.41 1f68 h GLU 767 Ca 0.00 -0.78 -0.00 0.00 -1.00 0.00 0.00 59.36 57.58 1f68 h GLU 767 Cb 0.44 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1f68 h GLU 767 CO 0.00 1.37 -0.01 0.28 -1.00 0.00 0.00 179.01 179.65 1f68 h VAL 768 N 0.15 1.06 -1.04 3.13 2.07 -1.11 -3.39 116.25 117.12 1f68 h VAL 768 Ca -0.21 -1.72 -0.62 0.00 0.82 0.00 0.00 66.70 64.97 1f68 h VAL 768 Cb 2.07 1.98 -0.09 0.00 -1.52 0.00 0.00 31.29 33.72 1f68 h VAL 768 CO 0.25 0.35 1.67 -0.63 0.02 0.00 0.00 177.57 179.23 1f68 s ILE 769 N -2.15 3.97 0.26 4.57 1.09 0.68 -4.81 121.20 124.80 1f68 s ILE 769 Ca -0.12 -1.05 -0.04 0.00 -1.10 0.00 0.00 60.65 58.35 1f68 s ILE 769 Cb -0.02 -5.08 0.17 0.00 -1.06 0.00 0.00 42.46 36.47 1f68 s ILE 769 CO 0.43 -1.95 1.83 0.03 -0.10 0.00 0.00 174.94 175.17 1f68 h ARG 770 N 9.25 1.01 -3.19 2.79 -0.00 -1.77 -3.36 114.38 119.12 1f68 h ARG 770 Ca 0.26 -0.18 -0.66 0.00 -0.50 0.00 0.00 59.98 58.91 1f68 h ARG 770 Cb 0.97 -0.17 -0.39 0.00 0.00 0.00 0.00 29.97 30.38 1f68 h ARG 770 CO 1.44 0.83 -0.38 -0.06 0.00 0.00 0.00 179.97 181.80 1f68 s PHE 771 N -5.44 3.70 0.71 3.04 0.08 -1.26 -5.06 117.98 113.75 1f68 s PHE 771 Ca -0.11 -3.21 -0.13 0.00 0.12 0.00 0.00 56.93 53.60 1f68 s PHE 771 Cb 0.16 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.70 1f68 s PHE 771 CO 0.82 -0.63 1.10 -1.25 -0.10 0.00 0.00 175.22 175.15 1f68 s PRO 772 N -1.39 2.57 -0.14 0.24 0.04 -1.26 -5.02 135.00 130.05 1f68 s PRO 772 Ca 0.26 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1f68 s PRO 772 Cb -0.06 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1f68 s PRO 772 CO -0.15 -1.41 0.99 -1.50 0.04 0.00 0.00 177.00 174.97 1f68 s ILE 773 N -2.66 0.00 0.27 0.56 1.10 -1.26 -5.10 121.20 114.11 1f68 s ILE 773 Ca 0.63 0.00 -0.21 0.00 -0.51 0.00 0.00 60.65 60.57 1f68 s ILE 773 Cb -0.18 -1.00 0.04 0.00 0.15 0.00 0.00 42.46 41.47 1f68 s ILE 773 CO 0.49 0.00 0.82 1.51 -2.11 0.00 0.00 174.94 175.65 1f68 s ASP 774 N -1.34 -0.15 0.26 4.50 -4.77 -1.26 -4.80 116.67 109.12 1f68 s ASP 774 Ca -0.01 -0.71 -0.02 0.00 -3.30 0.00 0.00 52.55 48.51 1f68 s ASP 774 Cb -0.01 0.69 0.35 0.00 -1.09 0.00 0.00 42.92 42.86 1f68 s ASP 774 CO -0.00 -1.31 1.79 -0.07 0.70 0.00 0.00 175.17 176.28 1f68 h LEU 775 N 2.00 0.79 0.36 2.11 3.38 -0.97 0.88 115.31 123.86 1f68 h LEU 775 Ca -0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1f68 h LEU 775 Cb 1.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1f68 h LEU 775 CO 0.29 0.81 -0.41 0.50 0.09 0.00 0.00 178.44 179.73 1f68 h LYS 776 N 0.80 -0.77 -0.47 1.13 1.63 -1.63 0.11 116.57 117.36 1f68 h LYS 776 Ca 0.17 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.11 1f68 h LYS 776 Cb 0.37 0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 32.10 1f68 h LYS 776 CO 0.01 -0.51 0.02 1.15 -3.45 0.00 0.00 179.45 176.66 1f68 h THR 777 N -0.80 0.65 -0.83 1.00 2.02 -1.78 0.20 112.91 113.37 1f68 h THR 777 Ca -0.03 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.22 1f68 h THR 777 Cb 0.73 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.57 1f68 h THR 777 CO -0.09 0.02 0.46 0.24 0.37 0.00 0.00 175.52 176.52 1f68 h MET 778 N 0.13 0.72 0.33 6.66 2.86 -0.44 0.93 114.93 126.12 1f68 h MET 778 Ca 0.24 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1f68 h MET 778 Cb 0.35 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1f68 h MET 778 CO -0.38 0.48 -0.16 1.15 1.06 0.00 0.00 176.91 179.06 1f68 h THR 779 N 0.74 0.69 -0.62 2.22 2.02 0.84 0.58 112.91 119.38 1f68 h THR 779 Ca 0.41 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.56 1f68 h THR 779 Cb 0.44 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1f68 h THR 779 CO -0.28 0.02 0.33 -0.33 0.37 0.00 0.00 175.52 175.64 1f68 h GLU 780 N -0.49 0.61 -0.90 6.66 4.39 -0.29 0.33 114.58 124.89 1f68 h GLU 780 Ca -0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1f68 h GLU 780 Cb 0.37 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1f68 h GLU 780 CO 0.07 0.40 0.55 0.00 -1.16 0.00 0.00 179.01 178.87 1f68 h ARG 781 N 0.63 1.21 0.06 2.33 3.08 -0.73 0.14 114.38 121.10 1f68 h ARG 781 Ca 0.28 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1f68 h ARG 781 Cb 0.17 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1f68 h ARG 781 CO -0.18 0.84 -0.04 1.25 -1.07 0.00 0.00 179.97 180.77 1f68 h LEU 782 N 1.23 -0.11 -1.05 3.04 5.85 0.44 -0.22 115.31 124.49 1f68 h LEU 782 Ca 0.32 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1f68 h LEU 782 Cb -0.06 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1f68 h LEU 782 CO -0.06 -0.07 0.63 0.03 -0.34 0.00 0.00 178.44 178.62 1f68 h ARG 783 N -0.10 0.97 -0.21 1.25 2.47 -0.62 0.21 114.38 118.34 1f68 h ARG 783 Ca -0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1f68 h ARG 783 Cb 0.10 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1f68 h ARG 783 CO -0.01 0.64 0.00 0.43 0.56 0.00 0.00 179.97 181.60 1f68 n SER 784 N -4.58 0.21 -3.25 7.04 7.64 0.47 -4.89 113.62 116.26 1f68 n SER 784 Ca 0.18 -1.98 -0.24 0.00 1.01 0.00 0.00 58.87 57.84 1f68 n SER 784 Cb 0.33 -0.11 0.03 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.39 -4.94 -0.12 1.43 5.12 0.06 -4.90 116.66 112.91 1f68 n ARG 785 Ca 0.00 0.76 -0.11 0.00 -1.93 0.00 0.00 57.85 56.57 1f68 n ARG 785 Cb 0.05 -5.62 -0.02 0.00 -1.16 0.00 0.00 32.46 25.71 1f68 n ARG 785 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1f68 h TYR 786 N -1.50 0.74 0.00 -1.55 3.20 -1.28 -3.39 116.97 113.19 1f68 h TYR 786 Ca -0.52 -0.15 -0.65 0.00 3.14 0.00 0.00 58.73 60.55 1f68 h TYR 786 Cb 1.35 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 39.45 1f68 h TYR 786 CO 0.57 0.80 2.73 0.66 -1.64 0.00 0.00 178.16 181.28 1f68 n TYR 787 N -4.44 2.50 0.28 -3.82 4.01 -1.26 -4.68 117.16 109.75 1f68 n TYR 787 Ca -0.02 -2.34 0.12 0.00 -0.16 0.00 0.00 57.90 55.50 1f68 n TYR 787 Cb 0.32 -2.07 0.78 0.00 -0.31 0.00 0.00 39.34 38.06 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 4.13 0.75 -3.84 -0.72 -1.51 -2.00 -3.42 116.25 109.64 1f68 h VAL 788 Ca 0.51 -0.01 -0.26 0.00 -1.23 0.00 0.00 66.70 65.71 1f68 h VAL 788 Cb 0.60 1.01 -0.27 0.00 -2.13 0.00 0.00 31.29 30.50 1f68 h VAL 788 CO 1.89 0.00 -0.73 0.42 -1.23 0.00 0.00 177.57 177.92 1f68 s THR 789 N -4.83 0.20 0.32 7.19 -4.23 -1.26 -5.04 115.64 107.98 1f68 s THR 789 Ca -0.05 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.25 1f68 s THR 789 Cb 0.16 -0.21 0.33 0.00 1.34 0.00 0.00 72.50 74.12 1f68 s THR 789 CO 0.61 -0.07 1.64 -0.09 -0.54 0.00 0.00 174.62 176.17 1f68 h ARG 790 N 5.75 0.21 -0.95 3.99 9.65 -2.00 -0.86 114.38 130.18 1f68 h ARG 790 Ca -0.27 -0.01 0.29 0.00 -1.10 0.00 0.00 59.98 58.88 1f68 h ARG 790 Cb 1.20 -0.05 -0.17 0.00 -1.39 0.00 0.00 29.97 29.57 1f68 h ARG 790 CO 0.48 0.14 0.22 0.87 2.80 0.00 0.00 179.97 184.49 1f68 h LYS 791 N 0.22 0.08 -0.72 0.20 1.79 -1.97 0.23 116.57 116.40 1f68 h LYS 791 Ca 0.65 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 59.09 1f68 h LYS 791 Cb 1.44 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.04 1f68 h LYS 791 CO -0.67 0.06 0.33 -0.07 -1.08 0.00 0.00 179.45 178.02 1f68 h LEU 792 N 0.09 0.96 -0.06 2.94 3.38 -1.55 0.89 115.31 121.96 1f68 h LEU 792 Ca 0.64 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1f68 h LEU 792 Cb 1.41 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1f68 h LEU 792 CO -0.79 0.84 0.00 0.15 0.09 0.00 0.00 178.44 178.73 1f68 h PHE 793 N 1.02 0.11 -0.35 1.13 3.04 -0.75 0.59 116.94 121.73 1f68 h PHE 793 Ca 0.25 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.25 1f68 h PHE 793 Cb 0.15 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.56 1f68 h PHE 793 CO 0.01 0.36 -0.08 0.28 -2.02 0.00 0.00 178.31 176.87 1f68 h VAL 794 N -0.18 0.66 0.65 1.41 2.07 -0.84 0.50 116.25 120.52 1f68 h VAL 794 Ca 0.02 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1f68 h VAL 794 Cb 0.32 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1f68 h VAL 794 CO 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.28 1f68 h ALA 795 N 1.34 -0.87 -0.56 1.67 0.00 -0.76 -2.92 119.26 117.17 1f68 h ALA 795 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1f68 h ALA 795 Cb 0.25 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1f68 h ALA 795 CO -0.35 -0.96 0.01 -0.44 0.00 0.00 0.00 179.25 177.50 1f68 h ASP 796 N -0.92 0.96 -0.19 0.00 3.32 -0.55 0.28 116.42 119.32 1f68 h ASP 796 Ca -0.09 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.68 1f68 h ASP 796 Cb 0.68 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1f68 h ASP 796 CO 0.15 1.03 0.04 0.25 -1.72 0.00 0.00 179.24 178.98 1f68 h LEU 797 N 0.87 0.01 -1.58 1.55 7.12 -1.01 0.14 115.31 122.40 1f68 h LEU 797 Ca 0.16 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1f68 h LEU 797 Cb 0.53 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 1f68 h LEU 797 CO 0.03 0.03 0.26 1.56 -0.13 0.00 0.00 178.44 180.19 1f68 h GLN 798 N 0.11 0.55 -0.78 1.25 4.20 -1.24 -1.44 115.11 117.76 1f68 h GLN 798 Ca 0.09 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1f68 h GLN 798 Cb 0.08 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1f68 h GLN 798 CO -0.12 0.37 0.32 -0.09 -0.67 0.00 0.00 178.83 178.64 1f68 h ARG 799 N 0.56 1.16 0.03 1.46 2.43 0.98 0.14 114.38 121.14 1f68 h ARG 799 Ca 0.15 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1f68 h ARG 799 Cb -0.05 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.27 1f68 h ARG 799 CO -0.03 0.94 -0.24 0.28 -1.51 0.00 0.00 179.97 179.41 1f68 h VAL 800 N 1.14 0.45 -0.00 0.20 2.07 0.26 0.18 116.25 120.54 1f68 h VAL 800 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1f68 h VAL 800 Cb 0.21 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1f68 h VAL 800 CO -0.02 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.72 1f68 h ILE 801 N -0.39 0.44 -0.03 4.57 2.04 -0.98 0.38 117.51 123.53 1f68 h ILE 801 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1f68 h ILE 801 Cb 0.46 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1f68 h ILE 801 CO -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.68 1f68 h ALA 802 N 0.46 -0.36 -0.56 1.87 0.00 -0.51 0.00 119.26 120.16 1f68 h ALA 802 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1f68 h ALA 802 Cb 0.47 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1f68 h ALA 802 CO -0.22 -0.77 0.38 -0.91 0.00 0.00 0.00 179.25 177.72 1f68 h ASN 803 N -0.40 0.35 0.68 0.00 2.35 -0.32 0.20 115.58 118.44 1f68 h ASN 803 Ca 0.07 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1f68 h ASN 803 Cb 0.50 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.81 1f68 h ASN 803 CO -0.26 0.22 -0.33 0.00 -1.65 0.00 0.00 177.43 175.41 1f68 h ARG 805 N -1.11 0.87 -0.99 0.00 3.08 0.20 0.17 114.38 116.60 1f68 h ARG 805 Ca -0.09 -0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.13 1f68 h ARG 805 Cb 0.70 -0.20 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 1f68 h ARG 805 CO 0.15 0.57 0.63 0.93 -1.07 0.00 0.00 179.97 181.18 1f68 h GLU 806 N 0.89 0.53 0.00 0.04 5.08 -0.78 -3.15 114.58 117.19 1f68 h GLU 806 Ca 0.40 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 58.39 1f68 h GLU 806 Cb 0.36 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1f68 h GLU 806 CO -0.16 0.35 -2.27 0.98 -1.00 0.00 0.00 179.01 176.90 1f68 n TYR 807 N -4.66 0.00 -3.55 4.33 9.36 -0.30 -4.97 117.16 117.37 1f68 n TYR 807 Ca 0.23 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 61.08 1f68 n TYR 807 Cb 0.71 -0.86 -0.08 0.00 -0.63 0.00 0.00 39.34 38.48 1f68 n TYR 807 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1f68 s ASN 808 N -6.14 6.27 0.23 2.98 0.01 0.45 -5.06 114.94 113.68 1f68 s ASN 808 Ca -0.30 0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.85 1f68 s ASN 808 Cb 0.08 -2.16 -0.15 0.00 0.41 0.00 0.00 41.25 39.43 1f68 s ASN 808 CO 0.52 0.01 1.07 -2.65 -1.51 0.00 0.00 177.10 174.55 1f68 n PRO 809 N 4.30 1.24 -0.37 -0.60 -0.02 -1.26 -4.45 135.00 133.83 1f68 n PRO 809 Ca -0.12 0.44 0.29 0.00 -2.02 0.00 0.00 63.50 62.08 1f68 n PRO 809 Cb 0.52 -1.86 0.56 0.00 -0.02 0.00 0.00 33.50 32.69 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 2.66 0.24 0.00 0.52 0.11 -1.96 0.82 132.00 134.39 1f68 h PRO 810 Ca -0.41 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1f68 h PRO 810 Cb 1.34 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1f68 h PRO 810 CO 0.65 0.16 -0.01 0.22 -0.21 0.00 0.00 178.00 178.82 1f68 h ASP 811 N 0.25 0.00 -4.19 -2.05 3.58 -1.94 -3.37 116.42 108.70 1f68 h ASP 811 Ca 0.72 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.63 1f68 h ASP 811 Cb 1.98 0.00 0.17 0.00 1.72 0.00 0.00 39.33 43.20 1f68 h ASP 811 CO -0.42 0.01 0.38 -0.94 -2.88 0.00 0.00 179.24 175.39 1f68 s SER 812 N -5.85 3.99 0.23 2.28 1.04 0.28 -4.67 113.70 111.00 1f68 s SER 812 Ca 0.03 2.37 -0.09 0.00 0.48 0.00 0.00 55.95 58.73 1f68 s SER 812 Cb 0.08 -2.59 0.36 0.00 0.10 0.00 0.00 66.02 63.97 1f68 s SER 812 CO 0.58 -2.40 1.65 -0.33 0.98 0.00 0.00 173.24 173.72 1f68 h GLU 813 N -0.50 0.11 -0.46 4.02 3.07 -1.91 0.19 114.58 119.10 1f68 h GLU 813 Ca -0.47 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.45 1f68 h GLU 813 Cb 1.30 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.12 1f68 h GLU 813 CO 0.49 0.07 0.13 1.88 -1.40 0.00 0.00 179.01 180.18 1f68 h TYR 814 N 0.11 0.22 -0.02 4.33 0.05 -1.92 0.11 116.97 119.86 1f68 h TYR 814 Ca 0.37 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 59.02 1f68 h TYR 814 Cb 0.62 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1f68 h TYR 814 CO -0.40 0.05 -0.70 0.00 -1.05 0.00 0.00 178.16 176.06 1f68 h ARG 816 N 0.07 0.39 -0.44 0.00 2.47 -0.25 0.87 114.38 117.49 1f68 h ARG 816 Ca -0.01 -0.13 0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1f68 h ARG 816 Cb 1.24 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.47 1f68 h ARG 816 CO 0.10 0.60 0.03 0.00 0.56 0.00 0.00 179.97 181.26 1f68 h ALA 818 N 1.37 1.05 -0.09 0.00 0.00 -0.43 0.15 119.26 121.32 1f68 h ALA 818 Ca 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1f68 h ALA 818 Cb 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f68 h ALA 818 CO -0.34 0.21 0.04 0.77 0.00 0.00 0.00 179.25 179.93 1f68 h SER 819 N 0.88 0.12 -0.38 0.00 0.02 0.10 0.25 113.55 114.54 1f68 h SER 819 Ca 0.34 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1f68 h SER 819 Cb 0.14 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1f68 h SER 819 CO -0.16 0.25 0.16 0.00 -1.14 0.00 0.00 176.83 175.93 1f68 h ALA 820 N 0.88 0.45 -0.39 3.77 0.00 -0.42 0.11 119.26 123.67 1f68 h ALA 820 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1f68 h ALA 820 Cb 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1f68 h ALA 820 CO -0.00 -0.22 0.17 1.25 0.00 0.00 0.00 179.25 180.44 1f68 h LEU 821 N 0.33 0.23 0.21 0.00 5.85 -0.56 0.80 115.31 122.17 1f68 h LEU 821 Ca 0.17 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1f68 h LEU 821 Cb 0.12 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1f68 h LEU 821 CO -0.15 0.17 -0.28 -0.08 -0.34 0.00 0.00 178.44 177.76 1f68 h GLU 822 N 0.35 -0.53 0.17 1.25 4.81 0.09 0.28 114.58 121.00 1f68 h GLU 822 Ca 0.17 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1f68 h GLU 822 Cb 0.11 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1f68 h GLU 822 CO -0.14 -0.35 -0.15 0.87 -0.73 0.00 0.00 179.01 178.51 1f68 h LYS 823 N -0.55 -0.32 -0.20 1.92 1.57 -0.81 0.33 116.57 118.51 1f68 h LYS 823 Ca 0.01 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1f68 h LYS 823 Cb 0.53 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1f68 h LYS 823 CO -0.10 -0.21 -0.18 0.35 -0.57 0.00 0.00 179.45 178.74 1f68 h PHE 824 N -0.33 -0.45 -0.06 -1.35 3.57 -0.70 0.44 116.94 118.06 1f68 h PHE 824 Ca -0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1f68 h PHE 824 Cb 0.31 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1f68 h PHE 824 CO -0.12 -0.25 -0.09 0.35 -2.23 0.00 0.00 178.31 175.96 1f68 h PHE 825 N -0.19 -0.23 -0.46 0.41 3.57 -0.19 0.15 116.94 119.99 1f68 h PHE 825 Ca 0.12 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1f68 h PHE 825 Cb 0.37 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1f68 h PHE 825 CO -0.32 -0.14 0.17 1.88 -2.23 0.00 0.00 178.31 177.67 1f68 h TYR 826 N -0.14 0.31 -0.22 0.41 0.05 -0.60 0.12 116.97 116.90 1f68 h TYR 826 Ca 0.06 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.92 1f68 h TYR 826 Cb 0.21 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 37.82 1f68 h TYR 826 CO -0.19 0.12 -0.22 0.35 -1.05 0.00 0.00 178.16 177.17 1f68 h PHE 827 N 0.35 -0.59 -0.51 4.88 3.57 -0.22 0.10 116.94 124.52 1f68 h PHE 827 Ca 0.22 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1f68 h PHE 827 Cb 0.20 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1f68 h PHE 827 CO -0.15 -0.30 0.22 0.87 -2.23 0.00 0.00 178.31 176.72 1f68 h LYS 828 N -0.24 0.42 -0.53 1.11 1.79 0.13 0.55 116.57 119.81 1f68 h LYS 828 Ca 0.13 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1f68 h LYS 828 Cb 0.44 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1f68 h LYS 828 CO -0.36 0.28 0.30 -0.07 -1.08 0.00 0.00 179.45 178.53 1f68 h LEU 829 N 0.44 0.48 -0.74 2.94 3.38 -0.28 0.15 115.31 121.68 1f68 h LEU 829 Ca 0.24 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1f68 h LEU 829 Cb 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1f68 h LEU 829 CO -0.20 0.34 0.48 0.11 0.09 0.00 0.00 178.44 179.25 1f68 h LYS 830 N 0.60 0.99 -0.34 1.13 1.79 0.05 -1.86 116.57 118.93 1f68 h LYS 830 Ca 0.22 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1f68 h LYS 830 Cb 0.05 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1f68 h LYS 830 CO -0.11 0.67 0.20 0.93 -1.08 0.00 0.00 179.45 180.06 1f68 h GLU 831 N 1.01 0.40 0.00 3.15 5.08 -0.45 -3.51 114.58 120.26 1f68 h GLU 831 Ca 0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1f68 h GLU 831 Cb -0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1f68 h GLU 831 CO -0.06 0.27 0.00 0.41 -1.00 0.00 0.00 179.01 178.63