#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 -0.41 -0.22 1.61 3.58 -2.04 0.11 116.42 119.05 1f68 h ASP 731 Ca 0.00 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1f68 h ASP 731 Cb 0.00 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1f68 h ASP 731 CO 0.00 -0.17 0.01 1.56 -2.88 0.00 0.00 179.24 177.76 1f68 h GLN 732 N -0.15 0.38 -0.05 0.28 4.20 -2.05 0.28 115.11 118.00 1f68 h GLN 732 Ca 0.09 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1f68 h GLN 732 Cb 0.29 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1f68 h GLN 732 CO -0.23 0.56 -0.33 1.25 -0.67 0.00 0.00 178.83 179.41 1f68 h LEU 733 N 0.16 -0.99 -0.36 1.46 5.85 -1.96 0.16 115.31 119.63 1f68 h LEU 733 Ca 0.06 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1f68 h LEU 733 Cb 0.38 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1f68 h LEU 733 CO 0.01 -0.38 0.10 0.22 -0.34 0.00 0.00 178.44 178.06 1f68 h TYR 734 N -0.45 0.18 -0.76 1.25 3.20 -0.57 0.14 116.97 119.96 1f68 h TYR 734 Ca 0.07 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1f68 h TYR 734 Cb 0.56 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1f68 h TYR 734 CO -0.37 0.06 0.46 1.15 -1.64 0.00 0.00 178.16 177.82 1f68 h THR 735 N 0.24 1.05 -0.17 1.81 2.02 -0.55 0.14 112.91 117.45 1f68 h THR 735 Ca 0.17 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1f68 h THR 735 Cb 0.17 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1f68 h THR 735 CO -0.19 0.16 0.10 0.74 0.37 0.00 0.00 175.52 176.70 1f68 h THR 736 N 0.87 1.08 -0.87 3.16 2.02 0.41 0.06 112.91 119.65 1f68 h THR 736 Ca 0.32 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.34 1f68 h THR 736 Cb 0.11 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1f68 h THR 736 CO -0.15 0.08 0.55 -0.07 0.37 0.00 0.00 175.52 176.30 1f68 h LEU 737 N 0.19 0.89 0.03 2.58 3.38 -0.15 0.19 115.31 122.43 1f68 h LEU 737 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f68 h LEU 737 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1f68 h LEU 737 CO -0.01 0.59 -0.02 0.50 0.09 0.00 0.00 178.44 179.60 1f68 h LYS 738 N 1.04 -0.04 -0.54 1.13 3.64 -0.36 0.57 116.57 122.00 1f68 h LYS 738 Ca 0.36 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1f68 h LYS 738 Cb 0.09 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1f68 h LYS 738 CO -0.14 0.02 0.30 -0.91 -2.27 0.00 0.00 179.45 176.45 1f68 h ASN 739 N -0.10 0.68 0.30 4.20 2.35 -0.50 0.12 115.58 122.63 1f68 h ASN 739 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1f68 h ASN 739 Cb 0.09 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1f68 h ASN 739 CO 0.01 0.58 -0.51 0.25 -1.65 0.00 0.00 177.43 176.11 1f68 h LEU 740 N 0.73 -1.46 -0.33 1.61 5.85 -0.53 -0.38 115.31 120.80 1f68 h LEU 740 Ca 0.19 0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.10 1f68 h LEU 740 Cb 0.05 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1f68 h LEU 740 CO -0.03 -0.60 0.06 0.25 -0.34 0.00 0.00 178.44 177.78 1f68 h LEU 741 N -0.86 0.00 -0.09 2.25 5.85 -0.68 -0.76 115.31 121.02 1f68 h LEU 741 Ca -0.03 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1f68 h LEU 741 Cb 0.80 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1f68 h LEU 741 CO -0.18 0.04 -0.19 0.00 -0.34 0.00 0.00 178.44 177.77 1f68 h ALA 742 N 1.25 -0.16 -0.09 1.25 0.00 -0.57 0.13 119.26 121.07 1f68 h ALA 742 Ca 0.15 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1f68 h ALA 742 Cb 0.17 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1f68 h ALA 742 CO -0.21 -0.66 -0.07 1.96 0.00 0.00 0.00 179.25 180.28 1f68 h GLN 743 N -0.26 -0.07 -0.10 0.00 4.20 -0.76 0.11 115.11 118.23 1f68 h GLN 743 Ca 0.09 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1f68 h GLN 743 Cb 0.38 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1f68 h GLN 743 CO -0.24 -0.05 -0.20 0.82 -0.67 0.00 0.00 178.83 178.49 1f68 h ILE 744 N -0.07 0.50 -0.98 2.54 2.04 -0.63 0.62 117.51 121.52 1f68 h ILE 744 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1f68 h ILE 744 Cb 0.16 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1f68 h ILE 744 CO -0.13 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.77 1f68 h LYS 745 N -0.27 1.24 -0.83 2.37 1.57 -0.53 -1.70 116.57 118.41 1f68 h LYS 745 Ca 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1f68 h LYS 745 Cb 0.40 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1f68 h LYS 745 CO -0.26 0.82 0.49 0.77 -0.57 0.00 0.00 179.45 180.71 1f68 h SER 746 N 1.28 1.01 -2.30 0.86 0.02 0.04 -3.43 113.55 111.03 1f68 h SER 746 Ca 0.38 -0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.72 1f68 h SER 746 Cb -0.06 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.25 1f68 h SER 746 CO -0.11 0.78 1.24 1.57 -1.14 0.00 0.00 176.83 179.17 1f68 n HIS 747 N -4.37 2.46 -0.33 3.45 -0.00 0.13 -4.86 115.22 111.71 1f68 n HIS 747 Ca 0.09 -0.33 0.19 0.00 -0.00 0.00 0.00 57.72 57.67 1f68 n HIS 747 Cb 0.07 -2.79 0.38 0.00 -0.00 0.00 0.00 29.99 27.65 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 10.75 0.06 -1.67 1.57 0.11 -1.84 0.09 132.00 141.06 1f68 h PRO 748 Ca -0.49 -0.00 0.53 0.00 0.11 0.00 0.00 66.00 66.14 1f68 h PRO 748 Cb 1.24 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.23 1f68 h PRO 748 CO 0.94 0.04 1.14 0.77 -0.21 0.00 0.00 178.00 180.68 1f68 h SER 749 N 0.06 0.11 0.28 -2.05 0.02 -1.89 0.03 113.55 110.11 1f68 h SER 749 Ca 0.66 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.69 1f68 h SER 749 Cb 1.49 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 64.12 1f68 h SER 749 CO -0.81 -0.14 -0.04 0.00 -1.14 0.00 0.00 176.83 174.70 1f68 h ALA 750 N 1.33 1.17 -0.94 3.77 0.00 -1.19 -3.38 119.26 120.02 1f68 h ALA 750 Ca 0.92 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.98 1f68 h ALA 750 Cb 3.29 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 20.90 1f68 h ALA 750 CO -0.26 0.05 -0.25 0.11 0.00 0.00 0.00 179.25 178.90 1f68 h TRP 751 N 0.00 -0.55 -0.33 0.00 5.08 -1.20 0.49 115.95 119.44 1f68 h TRP 751 Ca -0.00 0.09 -0.04 0.00 1.08 0.00 0.00 58.89 60.01 1f68 h TRP 751 Cb 0.19 0.39 -0.01 0.00 -3.00 0.00 0.00 29.16 26.72 1f68 h TRP 751 CO 0.00 -0.41 0.04 -1.35 -1.28 0.00 0.00 178.44 175.44 1f68 h PRO 752 N -0.00 0.56 0.00 0.12 0.11 -1.86 -3.15 132.00 127.78 1f68 h PRO 752 Ca 0.44 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1f68 h PRO 752 Cb 0.68 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1f68 h PRO 752 CO -0.97 0.66 0.00 0.74 -0.21 0.00 0.00 178.00 178.22 1f68 h PHE 753 N 0.38 0.00 0.00 0.65 0.04 -1.28 -1.43 116.94 115.30 1f68 h PHE 753 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1f68 h PHE 753 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1f68 h PHE 753 CO 0.03 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.41 1f68 n MET 754 N -2.44 0.05 -2.65 1.51 2.81 -0.05 -0.05 117.12 116.30 1f68 n MET 754 Ca 0.05 0.21 -0.42 0.00 -1.81 0.00 0.00 57.70 55.73 1f68 n MET 754 Cb 0.43 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 1f68 n MET 754 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1f68 s GLU 755 N -3.06 4.46 -0.38 0.03 2.02 -0.54 -4.34 118.70 116.90 1f68 s GLU 755 Ca 0.09 1.45 -0.28 0.00 0.02 0.00 0.00 54.97 56.25 1f68 s GLU 755 Cb 0.12 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 1f68 s GLU 755 CO 0.38 -0.24 1.73 -1.25 0.02 0.00 0.00 175.26 175.90 1f68 s PRO 756 N 1.65 3.30 -1.10 0.39 0.04 -1.26 -4.73 135.00 133.28 1f68 s PRO 756 Ca 0.51 1.25 -0.22 0.00 0.04 0.00 0.00 61.00 62.58 1f68 s PRO 756 Cb -0.21 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.17 1f68 s PRO 756 CO 0.22 -1.90 1.69 0.08 0.04 0.00 0.00 177.00 177.13 1f68 s VAL 757 N 6.85 3.85 0.42 -0.36 1.01 -1.26 -4.96 120.40 125.95 1f68 s VAL 757 Ca 0.75 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 1f68 s VAL 757 Cb -0.20 -4.85 -0.11 0.00 0.00 0.00 0.00 36.38 31.22 1f68 s VAL 757 CO 0.32 -1.67 0.96 -0.54 0.00 0.00 0.00 175.10 174.17 1f68 s LYS 758 N 5.31 4.22 0.29 2.72 1.02 -1.26 -4.85 119.74 127.19 1f68 s LYS 758 Ca 0.55 1.18 0.04 0.00 0.02 0.00 0.00 55.97 57.77 1f68 s LYS 758 Cb -0.00 -2.25 0.71 0.00 -0.52 0.00 0.00 37.83 35.77 1f68 s LYS 758 CO -0.00 -0.04 1.74 0.87 -0.92 0.00 0.00 175.35 177.00 1f68 h LYS 759 N 2.04 0.59 0.00 1.68 1.57 -1.93 0.80 116.57 121.32 1f68 h LYS 759 Ca -0.49 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1f68 h LYS 759 Cb 1.19 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1f68 h LYS 759 CO 0.61 0.39 -0.16 0.66 -0.57 0.00 0.00 179.45 180.38 1f68 h SER 760 N 0.61 0.00 0.00 0.86 4.64 -1.98 -2.24 113.55 115.45 1f68 h SER 760 Ca 0.56 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.74 1f68 h SER 760 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1f68 h SER 760 CO -0.43 0.16 -0.91 -0.33 -0.87 0.00 0.00 176.83 174.46 1f68 h GLU 761 N 0.00 0.00 -2.13 4.77 5.08 -1.32 -3.44 114.58 117.54 1f68 h GLU 761 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1f68 h GLU 761 Cb 0.30 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.15 1f68 h GLU 761 CO 0.02 0.61 -0.93 0.00 -1.00 0.00 0.00 179.01 177.71 1f68 n ALA 762 N -3.45 2.99 -0.23 3.43 0.00 -0.02 -4.97 120.51 118.26 1f68 n ALA 762 Ca -0.21 -3.82 -0.03 0.00 0.00 0.00 0.00 53.44 49.37 1f68 n ALA 762 Cb 0.50 -0.84 0.08 0.00 0.00 0.00 0.00 19.45 19.19 1f68 n ALA 762 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1f68 h PRO 763 N 4.24 0.73 -1.14 0.00 0.13 -1.59 -1.15 132.00 133.22 1f68 h PRO 763 Ca 0.13 -0.04 0.36 0.00 -0.87 0.00 0.00 66.00 65.58 1f68 h PRO 763 Cb 0.81 -0.16 -0.13 0.00 0.13 0.00 0.00 31.00 31.65 1f68 h PRO 763 CO 0.57 0.48 0.71 0.38 -0.23 0.00 0.00 178.00 179.92 1f68 h ASP 764 N 0.75 0.38 -0.88 1.44 2.03 -1.93 0.10 116.42 118.31 1f68 h ASP 764 Ca 0.28 0.15 0.17 0.00 -0.73 0.00 0.00 57.03 56.90 1f68 h ASP 764 Cb 0.09 0.11 -0.10 0.00 -0.83 0.00 0.00 39.33 38.60 1f68 h ASP 764 CO -0.14 -0.12 0.45 0.22 -1.03 0.00 0.00 179.24 178.62 1f68 h TYR 765 N 0.22 0.78 0.00 4.15 3.20 -1.58 0.77 116.97 124.51 1f68 h TYR 765 Ca 0.75 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.65 1f68 h TYR 765 Cb 2.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 40.11 1f68 h TYR 765 CO -0.01 0.13 0.00 0.66 -1.64 0.00 0.00 178.16 177.30 1f68 n TYR 766 N -4.90 0.85 -0.04 -3.82 4.02 0.35 -0.45 117.16 113.16 1f68 n TYR 766 Ca 0.19 0.26 -0.21 0.00 -0.01 0.00 0.00 57.90 58.13 1f68 n TYR 766 Cb 0.51 -0.92 -0.13 0.00 -0.02 0.00 0.00 39.34 38.78 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 0.14 0.02 -0.72 4.39 -0.98 -3.42 114.58 114.02 1f68 h GLU 767 Ca 0.00 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1f68 h GLU 767 Cb 0.66 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1f68 h GLU 767 CO 0.00 1.12 -0.13 0.28 -1.16 0.00 0.00 179.01 179.12 1f68 h VAL 768 N -0.51 1.72 -3.59 3.13 2.07 -0.88 -3.42 116.25 114.77 1f68 h VAL 768 Ca -0.35 -2.30 -0.63 0.00 0.82 0.00 0.00 66.70 64.25 1f68 h VAL 768 Cb 1.63 3.28 -0.14 0.00 -1.52 0.00 0.00 31.29 34.54 1f68 h VAL 768 CO -0.04 0.61 -0.01 -0.63 0.02 0.00 0.00 177.57 177.51 1f68 s ILE 769 N -2.40 5.03 -0.53 4.57 1.09 0.40 -4.95 121.20 124.42 1f68 s ILE 769 Ca -0.18 0.68 0.25 0.00 -1.10 0.00 0.00 60.65 60.30 1f68 s ILE 769 Cb -0.02 -3.90 0.28 0.00 -1.06 0.00 0.00 42.46 37.76 1f68 s ILE 769 CO 0.71 -0.05 1.76 0.03 -0.10 0.00 0.00 174.94 177.28 1f68 h ARG 770 N 8.21 0.00 -3.04 2.79 -0.00 -1.81 -3.38 114.38 117.15 1f68 h ARG 770 Ca -0.28 0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 58.58 1f68 h ARG 770 Cb 1.13 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.69 1f68 h ARG 770 CO 0.75 0.00 -0.62 -0.06 0.00 0.00 0.00 179.97 180.04 1f68 s PHE 771 N -3.25 3.27 -0.10 3.04 0.08 -1.26 -5.09 117.98 114.67 1f68 s PHE 771 Ca 0.07 -3.21 -0.34 0.00 0.12 0.00 0.00 56.93 53.56 1f68 s PHE 771 Cb 0.10 -2.53 -0.11 0.00 -0.57 0.00 0.00 43.02 39.91 1f68 s PHE 771 CO 0.50 -0.59 1.91 -2.30 -0.10 0.00 0.00 175.22 174.64 1f68 n PRO 772 N 2.18 2.14 -3.53 0.24 -0.02 -1.26 -4.96 135.00 129.79 1f68 n PRO 772 Ca 0.19 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.31 1f68 n PRO 772 Cb 0.36 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 1f68 n PRO 772 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1f68 s ILE 773 N 4.34 0.02 0.11 4.25 1.10 -1.26 -5.12 121.20 124.65 1f68 s ILE 773 Ca 0.94 -0.14 -0.26 0.00 -0.51 0.00 0.00 60.65 60.68 1f68 s ILE 773 Cb -0.69 -0.99 0.08 0.00 0.15 0.00 0.00 42.46 41.01 1f68 s ILE 773 CO 0.51 -0.08 1.01 1.51 -2.11 0.00 0.00 174.94 175.78 1f68 s ASP 774 N -2.02 -0.17 0.31 4.50 1.47 -1.26 -4.82 116.67 114.68 1f68 s ASP 774 Ca -0.05 -0.33 0.05 0.00 1.18 0.00 0.00 52.55 53.40 1f68 s ASP 774 Cb -0.01 0.43 0.50 0.00 -0.34 0.00 0.00 42.92 43.50 1f68 s ASP 774 CO -0.02 -0.78 1.77 -0.07 0.68 0.00 0.00 175.17 176.75 1f68 h LEU 775 N 2.00 0.40 -0.08 2.11 3.38 -0.77 0.84 115.31 123.19 1f68 h LEU 775 Ca -0.25 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1f68 h LEU 775 Cb 1.23 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1f68 h LEU 775 CO 0.26 0.64 0.05 0.50 0.09 0.00 0.00 178.44 179.97 1f68 h LYS 776 N 0.36 0.10 -0.53 1.13 1.63 -1.74 0.23 116.57 117.75 1f68 h LYS 776 Ca 0.06 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1f68 h LYS 776 Cb 0.60 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.16 1f68 h LYS 776 CO 0.04 0.11 0.24 1.15 -3.45 0.00 0.00 179.45 177.54 1f68 h THR 777 N 0.07 0.90 -0.94 1.00 2.02 -1.73 0.08 112.91 114.30 1f68 h THR 777 Ca 0.03 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 67.14 1f68 h THR 777 Cb 0.03 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 1f68 h THR 777 CO -0.01 0.09 0.59 0.24 0.37 0.00 0.00 175.52 176.80 1f68 h MET 778 N 0.47 0.96 -0.11 6.66 2.86 -0.40 0.11 114.93 125.49 1f68 h MET 778 Ca 0.24 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1f68 h MET 778 Cb 0.20 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1f68 h MET 778 CO -0.20 0.64 -0.02 1.15 1.06 0.00 0.00 176.91 179.54 1f68 h THR 779 N 0.99 0.90 -0.67 2.22 2.02 0.13 0.20 112.91 118.69 1f68 h THR 779 Ca 0.44 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.64 1f68 h THR 779 Cb 0.34 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1f68 h THR 779 CO -0.23 0.00 0.43 -0.33 0.37 0.00 0.00 175.52 175.76 1f68 h GLU 780 N 0.02 0.82 -0.68 6.66 4.39 -0.27 0.62 114.58 126.13 1f68 h GLU 780 Ca 0.05 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1f68 h GLU 780 Cb 0.07 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1f68 h GLU 780 CO -0.10 0.54 0.43 0.00 -1.16 0.00 0.00 179.01 178.72 1f68 h ARG 781 N 0.85 0.83 -0.32 2.33 3.08 -0.34 0.12 114.38 120.93 1f68 h ARG 781 Ca 0.26 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1f68 h ARG 781 Cb -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1f68 h ARG 781 CO -0.09 0.55 0.09 1.25 -1.07 0.00 0.00 179.97 180.70 1f68 h LEU 782 N 0.85 0.46 -1.00 3.04 5.85 0.09 0.73 115.31 125.34 1f68 h LEU 782 Ca 0.26 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1f68 h LEU 782 Cb -0.02 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 1f68 h LEU 782 CO -0.09 0.55 0.62 0.03 -0.34 0.00 0.00 178.44 179.21 1f68 h ARG 783 N 0.35 0.95 0.00 1.25 3.08 -0.56 0.10 114.38 119.56 1f68 h ARG 783 Ca 0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1f68 h ARG 783 Cb 0.26 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1f68 h ARG 783 CO -0.00 0.63 0.00 0.43 -1.07 0.00 0.00 179.97 179.96 1f68 n SER 784 N -4.63 0.00 -3.44 7.04 7.64 0.39 -4.90 113.62 115.72 1f68 n SER 784 Ca 0.19 -1.72 -0.25 0.00 1.01 0.00 0.00 58.87 58.10 1f68 n SER 784 Cb 0.36 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.63 -4.76 -0.18 1.43 1.74 0.35 -4.89 116.66 109.73 1f68 n ARG 785 Ca 0.06 0.66 -0.07 0.00 -0.77 0.00 0.00 57.85 57.73 1f68 n ARG 785 Cb 0.03 -5.49 0.02 0.00 -1.02 0.00 0.00 32.46 26.00 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 -1.54 0.68 0.00 -1.55 5.03 -1.12 -3.35 116.97 115.13 1f68 h TYR 786 Ca -0.51 -0.00 -0.64 0.00 2.58 0.00 0.00 58.73 60.16 1f68 h TYR 786 Cb 1.34 -0.22 0.01 0.00 1.55 0.00 0.00 36.73 39.40 1f68 h TYR 786 CO 0.59 0.47 3.18 0.66 -1.32 0.00 0.00 178.16 181.74 1f68 n TYR 787 N -4.68 2.57 0.27 -3.82 4.01 -1.26 -4.64 117.16 109.61 1f68 n TYR 787 Ca 0.03 -2.69 0.11 0.00 -0.16 0.00 0.00 57.90 55.19 1f68 n TYR 787 Cb 0.05 -2.27 0.76 0.00 -0.31 0.00 0.00 39.34 37.57 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 3.64 0.74 -3.94 -0.72 -1.51 -1.99 -3.41 116.25 109.06 1f68 h VAL 788 Ca 0.64 -0.16 -0.33 0.00 -1.23 0.00 0.00 66.70 65.62 1f68 h VAL 788 Cb 0.45 1.10 -0.27 0.00 -2.13 0.00 0.00 31.29 30.43 1f68 h VAL 788 CO 1.80 0.04 -0.76 0.42 -1.23 0.00 0.00 177.57 177.84 1f68 s THR 789 N -4.69 0.51 0.56 7.19 -4.23 -1.26 -5.04 115.64 108.68 1f68 s THR 789 Ca -0.05 -0.42 0.25 0.00 -1.18 0.00 0.00 61.69 60.29 1f68 s THR 789 Cb 0.15 -0.46 0.33 0.00 1.34 0.00 0.00 72.50 73.87 1f68 s THR 789 CO 0.61 0.04 2.17 -0.09 -0.54 0.00 0.00 174.62 176.80 1f68 h ARG 790 N 5.71 0.00 -0.89 3.99 2.43 -1.99 -0.89 114.38 122.73 1f68 h ARG 790 Ca -0.30 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.11 1f68 h ARG 790 Cb 1.19 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.60 1f68 h ARG 790 CO 0.48 0.00 0.22 -0.22 -1.51 0.00 0.00 179.97 178.94 1f68 h LYS 791 N 0.00 0.18 -0.53 0.20 1.63 -1.96 0.24 116.57 116.33 1f68 h LYS 791 Ca 0.04 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 1f68 h LYS 791 Cb 0.20 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1f68 h LYS 791 CO -0.00 0.12 0.07 -0.07 -3.45 0.00 0.00 179.45 176.12 1f68 h LEU 792 N 0.18 0.80 -0.09 5.20 3.38 -1.55 0.57 115.31 123.80 1f68 h LEU 792 Ca 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1f68 h LEU 792 Cb 1.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1f68 h LEU 792 CO -0.68 0.82 0.02 0.15 0.09 0.00 0.00 178.44 178.84 1f68 h PHE 793 N 0.80 0.16 0.07 1.13 3.04 -0.73 0.29 116.94 121.70 1f68 h PHE 793 Ca 0.17 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.12 1f68 h PHE 793 Cb 0.38 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.80 1f68 h PHE 793 CO 0.02 0.35 -0.36 0.28 -2.02 0.00 0.00 178.31 176.59 1f68 h VAL 794 N -0.08 0.25 -0.10 1.41 2.07 -0.66 0.55 116.25 119.69 1f68 h VAL 794 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1f68 h VAL 794 Cb 0.28 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 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 0.06 -0.29 0.16 1.67 0.00 -0.78 0.91 119.26 120.99 1f68 h ALA 795 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1f68 h ALA 795 Cb 0.61 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1f68 h ALA 795 CO -0.24 -0.74 -0.18 -0.44 0.00 0.00 0.00 179.25 177.65 1f68 h ASP 796 N -0.35 -0.49 -0.43 0.00 5.19 -0.72 0.17 116.42 119.80 1f68 h ASP 796 Ca 0.09 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1f68 h ASP 796 Cb 0.48 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1f68 h ASP 796 CO -0.30 -0.27 0.10 0.25 -3.12 0.00 0.00 179.24 175.90 1f68 h LEU 797 N -0.38 0.65 -1.45 1.55 6.46 -0.65 0.16 115.31 121.65 1f68 h LEU 797 Ca 0.01 -0.24 0.04 0.00 -0.12 0.00 0.00 57.88 57.57 1f68 h LEU 797 Cb 0.37 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1f68 h LEU 797 CO -0.06 0.72 0.41 1.56 -0.62 0.00 0.00 178.44 180.45 1f68 h GLN 798 N 0.55 0.69 -0.58 1.25 4.20 -0.70 0.21 115.11 120.74 1f68 h GLN 798 Ca 0.13 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1f68 h GLN 798 Cb 0.33 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1f68 h GLN 798 CO 0.00 0.45 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.51 1f68 h ARG 799 N 0.71 1.01 -0.26 1.46 9.65 0.68 0.16 114.38 127.78 1f68 h ARG 799 Ca 0.25 -0.32 0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1f68 h ARG 799 Cb 0.11 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 1f68 h ARG 799 CO -0.07 1.00 -0.01 0.28 2.80 0.00 0.00 179.97 183.97 1f68 h VAL 800 N 0.92 0.80 0.28 0.20 2.07 0.62 0.19 116.25 121.33 1f68 h VAL 800 Ca 0.16 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1f68 h VAL 800 Cb 0.55 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1f68 h VAL 800 CO 0.03 0.01 -0.15 0.40 0.02 0.00 0.00 177.57 177.89 1f68 h ILE 801 N 0.07 0.69 -0.13 4.57 2.04 -0.71 0.25 117.51 124.30 1f68 h ILE 801 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1f68 h ILE 801 Cb 0.17 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1f68 h ILE 801 CO -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.70 1f68 h ALA 802 N 0.32 -0.19 -0.49 1.87 0.00 -0.50 0.17 119.26 120.44 1f68 h ALA 802 Ca -0.03 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1f68 h ALA 802 Cb 0.32 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1f68 h ALA 802 CO 0.05 -0.69 -0.30 -0.91 0.00 0.00 0.00 179.25 177.40 1f68 h ASN 803 N -0.29 -1.03 -0.30 0.00 4.21 -0.49 0.21 115.58 117.89 1f68 h ASN 803 Ca 0.10 0.20 0.06 0.00 1.21 0.00 0.00 56.30 57.87 1f68 h ASN 803 Cb 0.44 0.51 -0.06 0.00 -1.12 0.00 0.00 38.32 38.09 1f68 h ASN 803 CO -0.30 -0.30 -0.10 0.00 -1.29 0.00 0.00 177.43 175.44 1f68 h ARG 805 N -0.04 0.23 -0.18 0.00 3.08 0.04 0.11 114.38 117.62 1f68 h ARG 805 Ca 0.15 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1f68 h ARG 805 Cb 0.26 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1f68 h ARG 805 CO -0.33 0.58 -0.12 0.93 -1.07 0.00 0.00 179.97 179.96 1f68 h GLU 806 N 0.20 0.41 0.00 0.04 5.08 -0.22 -3.37 114.58 116.71 1f68 h GLU 806 Ca 0.02 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1f68 h GLU 806 Cb 0.76 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1f68 h GLU 806 CO 0.06 0.73 -0.37 -0.92 -1.00 0.00 0.00 179.01 177.51 1f68 h TYR 807 N 0.08 0.37 -2.96 4.33 3.20 -0.51 -3.46 116.97 118.02 1f68 h TYR 807 Ca 0.04 -0.20 -0.61 0.00 3.14 0.00 0.00 58.73 61.10 1f68 h TYR 807 Cb 0.63 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1f68 h TYR 807 CO 0.07 1.02 -0.45 -0.80 -1.64 0.00 0.00 178.16 176.36 1f68 s ASN 808 N -6.47 6.39 0.22 -2.11 0.01 0.36 -5.06 114.94 108.28 1f68 s ASN 808 Ca -0.15 0.34 -0.31 0.00 -0.71 0.00 0.00 52.86 52.03 1f68 s ASN 808 Cb 0.02 -1.99 -0.15 0.00 0.41 0.00 0.00 41.25 39.54 1f68 s ASN 808 CO 0.77 0.14 1.14 -2.65 -1.51 0.00 0.00 177.10 174.99 1f68 n PRO 809 N 0.21 1.33 -0.35 -0.60 -0.02 -1.26 -4.62 135.00 129.69 1f68 n PRO 809 Ca -0.04 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1f68 n PRO 809 Cb 0.51 -1.95 0.24 0.00 -0.02 0.00 0.00 33.50 32.29 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 3.04 0.00 -4.96 0.52 0.11 -1.94 -3.00 132.00 125.77 1f68 h PRO 810 Ca -0.42 -0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.01 1f68 h PRO 810 Cb 1.33 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.26 1f68 h PRO 810 CO 0.68 0.00 0.15 0.34 -0.21 0.00 0.00 178.00 178.96 1f68 s ASP 811 N -5.09 6.21 0.17 -2.05 2.15 -1.26 -4.71 116.67 112.08 1f68 s ASP 811 Ca -0.14 -1.08 -0.20 0.00 0.43 0.00 0.00 52.55 51.57 1f68 s ASP 811 Cb 0.28 -2.32 0.05 0.00 -0.30 0.00 0.00 42.92 40.63 1f68 s ASP 811 CO 0.78 -1.05 0.53 -0.94 -0.17 0.00 0.00 175.17 174.32 1f68 s SER 812 N 3.15 -0.38 0.22 -0.34 1.04 -1.13 -4.98 113.70 111.27 1f68 s SER 812 Ca 0.15 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.24 1f68 s SER 812 Cb -0.20 0.57 0.31 0.00 0.10 0.00 0.00 66.02 66.79 1f68 s SER 812 CO 0.10 -0.98 1.66 -0.33 0.98 0.00 0.00 173.24 174.66 1f68 h GLU 813 N 2.15 0.10 0.20 4.02 3.07 -1.95 0.32 114.58 122.48 1f68 h GLU 813 Ca -0.32 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 1f68 h GLU 813 Cb 1.28 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1f68 h GLU 813 CO 0.39 0.07 -0.10 1.88 -1.40 0.00 0.00 179.01 179.85 1f68 h TYR 814 N 0.10 -0.25 -0.77 4.33 0.05 -1.95 0.17 116.97 118.65 1f68 h TYR 814 Ca 0.33 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 59.07 1f68 h TYR 814 Cb 0.54 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1f68 h TYR 814 CO -0.39 -0.15 0.33 0.00 -1.05 0.00 0.00 178.16 176.91 1f68 h ARG 816 N 1.11 0.91 -0.30 0.00 2.47 -0.80 0.79 114.38 118.56 1f68 h ARG 816 Ca 0.26 -0.47 0.04 0.00 -1.26 0.00 0.00 59.98 58.55 1f68 h ARG 816 Cb 0.17 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1f68 h ARG 816 CO -0.03 1.12 0.07 0.00 0.56 0.00 0.00 179.97 181.70 1f68 h ALA 818 N 1.22 1.05 0.10 0.00 0.00 -0.36 0.15 119.26 121.41 1f68 h ALA 818 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1f68 h ALA 818 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1f68 h ALA 818 CO -0.18 0.14 -0.05 0.77 0.00 0.00 0.00 179.25 179.93 1f68 h SER 819 N 0.80 -0.11 -0.45 0.00 0.02 -0.00 0.29 113.55 114.10 1f68 h SER 819 Ca 0.34 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.33 1f68 h SER 819 Cb 0.22 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1f68 h SER 819 CO -0.19 -0.07 0.21 0.00 -1.14 0.00 0.00 176.83 175.64 1f68 h ALA 820 N 0.77 0.56 -0.46 3.77 0.00 -0.40 0.10 119.26 123.60 1f68 h ALA 820 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1f68 h ALA 820 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1f68 h ALA 820 CO 0.02 -0.15 0.22 1.25 0.00 0.00 0.00 179.25 180.59 1f68 h LEU 821 N 0.42 0.32 0.53 0.00 5.85 -0.51 0.09 115.31 122.01 1f68 h LEU 821 Ca 0.20 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1f68 h LEU 821 Cb 0.13 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1f68 h LEU 821 CO -0.16 0.23 -0.25 -0.08 -0.34 0.00 0.00 178.44 177.84 1f68 h GLU 822 N 0.45 -0.68 -0.02 1.25 4.81 0.32 0.29 114.58 121.00 1f68 h GLU 822 Ca 0.20 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1f68 h GLU 822 Cb 0.11 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1f68 h GLU 822 CO -0.15 -0.45 0.01 0.87 -0.73 0.00 0.00 179.01 178.57 1f68 h LYS 823 N -0.72 0.02 -0.40 1.92 1.79 -0.91 0.71 116.57 118.97 1f68 h LYS 823 Ca -0.07 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1f68 h LYS 823 Cb 0.55 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.15 1f68 h LYS 823 CO 0.12 0.02 0.12 0.35 -1.08 0.00 0.00 179.45 178.98 1f68 h PHE 824 N 0.02 0.21 -0.03 -1.35 3.57 -0.89 -0.44 116.94 118.03 1f68 h PHE 824 Ca 0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1f68 h PHE 824 Cb 0.00 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1f68 h PHE 824 CO -0.08 0.07 -0.14 0.35 -2.23 0.00 0.00 178.31 176.28 1f68 h PHE 825 N 0.27 -0.36 -0.74 0.41 3.57 -0.12 0.14 116.94 120.11 1f68 h PHE 825 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1f68 h PHE 825 Cb 0.20 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1f68 h PHE 825 CO -0.17 -0.21 0.49 1.88 -2.23 0.00 0.00 178.31 178.07 1f68 h TYR 826 N -0.22 0.85 0.38 0.41 0.05 -0.29 0.27 116.97 118.42 1f68 h TYR 826 Ca 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1f68 h TYR 826 Cb 0.30 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1f68 h TYR 826 CO -0.21 0.49 -0.18 0.35 -1.05 0.00 0.00 178.16 177.56 1f68 h PHE 827 N 0.88 -0.47 -0.33 4.88 3.57 -0.58 -3.18 116.94 121.71 1f68 h PHE 827 Ca 0.30 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.87 1f68 h PHE 827 Cb 0.08 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1f68 h PHE 827 CO -0.00 -0.22 0.23 0.87 -2.23 0.00 0.00 178.31 176.96 1f68 h LYS 828 N -0.62 0.05 -0.72 1.11 1.79 0.67 0.14 116.57 118.98 1f68 h LYS 828 Ca -0.05 -0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.56 1f68 h LYS 828 Cb 0.46 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 1f68 h LYS 828 CO 0.09 0.03 0.48 -0.07 -1.08 0.00 0.00 179.45 178.90 1f68 h LEU 829 N 0.05 0.36 0.03 2.94 3.38 -0.50 0.24 115.31 121.81 1f68 h LEU 829 Ca 0.15 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1f68 h LEU 829 Cb 0.55 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1f68 h LEU 829 CO -0.01 0.19 -0.23 0.11 0.09 0.00 0.00 178.44 178.60 1f68 h LYS 830 N 0.39 0.10 -0.18 1.13 1.79 -0.84 -3.36 116.57 115.59 1f68 h LYS 830 Ca 0.35 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.57 1f68 h LYS 830 Cb 0.81 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1f68 h LYS 830 CO -0.10 1.02 -0.33 0.93 -1.08 0.00 0.00 179.45 179.88 1f68 h GLU 831 N -0.75 0.38 0.00 3.15 4.39 -0.88 -3.53 114.58 117.35 1f68 h GLU 831 Ca -0.04 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1f68 h GLU 831 Cb 1.12 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1f68 h GLU 831 CO 0.04 0.67 0.00 0.41 -1.16 0.00 0.00 179.01 178.97