#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 0.65 0.06 1.61 5.19 -2.03 0.23 116.42 122.13 1f68 h ASP 731 Ca 0.00 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1f68 h ASP 731 Cb 0.00 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1f68 h ASP 731 CO 0.00 0.19 -0.13 1.56 -3.12 0.00 0.00 179.24 177.74 1f68 h GLN 732 N 0.61 -0.24 0.16 3.56 7.50 -2.05 0.14 115.11 124.79 1f68 h GLN 732 Ca 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.74 1f68 h GLN 732 Cb 1.12 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.71 1f68 h GLN 732 CO -0.36 -0.16 -0.08 1.25 -1.50 0.00 0.00 178.83 177.99 1f68 h LEU 733 N -0.25 -0.18 -0.51 1.46 5.85 -1.08 -0.03 115.31 120.57 1f68 h LEU 733 Ca 0.03 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1f68 h LEU 733 Cb 0.27 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 1f68 h LEU 733 CO -0.08 -0.01 -0.25 0.22 -0.34 0.00 0.00 178.44 177.98 1f68 h TYR 734 N -0.35 -0.66 -0.28 1.25 3.20 -0.87 0.16 116.97 119.42 1f68 h TYR 734 Ca -0.02 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1f68 h TYR 734 Cb 0.27 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1f68 h TYR 734 CO -0.03 -0.33 0.10 1.15 -1.64 0.00 0.00 178.16 177.41 1f68 h THR 735 N -0.14 0.93 0.06 1.81 2.02 -0.56 0.13 112.91 117.16 1f68 h THR 735 Ca 0.23 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.35 1f68 h THR 735 Cb 0.50 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1f68 h THR 735 CO -0.59 0.04 -0.15 0.74 0.37 0.00 0.00 175.52 175.93 1f68 h THR 736 N 0.23 0.65 -0.63 3.16 2.02 0.41 0.77 112.91 119.52 1f68 h THR 736 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1f68 h THR 736 Cb 0.09 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1f68 h THR 736 CO -0.13 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.08 1f68 h LEU 737 N -0.28 0.75 -0.16 2.58 3.38 -0.51 0.96 115.31 122.03 1f68 h LEU 737 Ca 0.03 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1f68 h LEU 737 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1f68 h LEU 737 CO -0.10 0.58 0.06 0.50 0.09 0.00 0.00 178.44 179.57 1f68 h LYS 738 N 0.85 0.13 0.06 1.13 3.64 -0.46 0.16 116.57 122.09 1f68 h LYS 738 Ca 0.23 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1f68 h LYS 738 Cb -0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1f68 h LYS 738 CO -0.04 0.09 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.28 1f68 h ASN 739 N 0.14 -0.07 -0.23 4.20 2.35 -0.46 0.12 115.58 121.63 1f68 h ASN 739 Ca 0.07 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1f68 h ASN 739 Cb 0.04 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 1f68 h ASN 739 CO -0.07 0.07 -0.35 0.25 -1.65 0.00 0.00 177.43 175.67 1f68 h LEU 740 N -0.21 -1.13 -0.56 1.61 5.85 -0.70 0.35 115.31 120.51 1f68 h LEU 740 Ca -0.01 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1f68 h LEU 740 Cb 0.18 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1f68 h LEU 740 CO 0.01 -0.36 0.21 0.25 -0.34 0.00 0.00 178.44 178.21 1f68 h LEU 741 N -0.37 0.22 -0.55 2.25 5.85 -0.51 0.32 115.31 122.52 1f68 h LEU 741 Ca 0.12 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1f68 h LEU 741 Cb 0.57 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1f68 h LEU 741 CO -0.44 0.14 0.30 0.00 -0.34 0.00 0.00 178.44 178.11 1f68 h ALA 742 N 1.38 0.71 -0.09 1.25 0.00 0.14 0.23 119.26 122.88 1f68 h ALA 742 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1f68 h ALA 742 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f68 h ALA 742 CO -0.27 -0.02 0.06 1.96 0.00 0.00 0.00 179.25 180.97 1f68 h GLN 743 N 0.58 0.13 -0.67 0.00 1.08 0.14 0.91 115.11 117.28 1f68 h GLN 743 Ca 0.24 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.47 1f68 h GLN 743 Cb 0.11 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 1f68 h GLN 743 CO -0.14 0.10 0.39 0.82 -0.95 0.00 0.00 178.83 179.05 1f68 h ILE 744 N 0.11 1.03 -0.54 2.54 2.04 -0.50 0.67 117.51 122.86 1f68 h ILE 744 Ca 0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1f68 h ILE 744 Cb 0.01 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1f68 h ILE 744 CO -0.01 0.14 0.28 0.11 0.00 0.00 0.00 178.15 178.67 1f68 h LYS 745 N 0.75 0.76 -0.96 2.37 1.57 -0.27 -2.90 116.57 117.88 1f68 h LYS 745 Ca 0.28 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1f68 h LYS 745 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1f68 h LYS 745 CO -0.14 0.61 0.62 0.77 -0.57 0.00 0.00 179.45 180.73 1f68 h SER 746 N 0.72 1.13 -1.87 0.86 0.02 0.14 -3.41 113.55 111.13 1f68 h SER 746 Ca 0.19 -0.04 -0.61 0.00 -0.84 0.00 0.00 61.79 60.49 1f68 h SER 746 Cb 0.09 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1f68 h SER 746 CO -0.03 0.83 1.33 1.57 -1.14 0.00 0.00 176.83 179.40 1f68 n HIS 747 N -4.37 2.08 -0.32 3.45 -0.00 0.14 -4.86 115.22 111.33 1f68 n HIS 747 Ca 0.11 -0.05 0.15 0.00 -0.00 0.00 0.00 57.72 57.93 1f68 n HIS 747 Cb 0.03 -2.68 0.30 0.00 -0.00 0.00 0.00 29.99 27.64 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 12.22 0.05 0.00 1.57 0.11 -1.85 -0.55 132.00 143.56 1f68 h PRO 748 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1f68 h PRO 748 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1f68 h PRO 748 CO 0.97 0.03 0.28 0.43 -0.21 0.00 0.00 178.00 179.50 1f68 n SER 749 N -5.41 0.27 0.00 -2.05 7.64 -1.26 -0.87 113.62 111.94 1f68 n SER 749 Ca 0.23 0.50 0.10 0.00 1.01 0.00 0.00 58.87 60.71 1f68 n SER 749 Cb 0.76 -0.46 0.52 0.00 -1.01 0.00 0.00 64.21 64.03 1f68 n SER 749 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f68 h ALA 750 N 1.20 1.98 -0.96 -0.43 0.00 -1.30 -3.37 119.26 116.39 1f68 h ALA 750 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.10 1f68 h ALA 750 Cb 0.55 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.08 1f68 h ALA 750 CO 0.00 -0.07 -0.18 -2.67 0.00 0.00 0.00 179.25 176.33 1f68 n TRP 751 N -4.47 0.40 0.29 0.00 4.27 -0.05 -0.73 117.44 117.16 1f68 n TRP 751 Ca 0.06 1.16 0.18 0.00 -3.89 0.00 0.00 57.50 55.01 1f68 n TRP 751 Cb 0.27 -1.09 0.78 0.00 -1.36 0.00 0.00 31.31 29.91 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 -0.13 -2.67 0.11 -1.86 -3.19 132.00 124.26 1f68 h PRO 752 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1f68 h PRO 752 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1f68 h PRO 752 CO -0.97 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.01 1f68 n PHE 753 N -3.03 0.31 0.00 0.65 3.72 0.09 -4.80 117.46 114.40 1f68 n PHE 753 Ca -0.00 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 1f68 n PHE 753 Cb 0.26 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1f68 n PHE 753 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1f68 n MET 754 N -0.59 0.00 -2.64 -1.08 2.81 -1.15 -0.52 117.12 113.95 1f68 n MET 754 Ca 0.12 0.43 -0.27 0.00 -1.81 0.00 0.00 57.70 56.18 1f68 n MET 754 Cb 0.55 -1.36 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.46 3.32 0.61 0.03 2.02 -1.26 -0.38 118.70 120.58 1f68 s GLU 755 Ca 0.00 0.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.84 1f68 s GLU 755 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1f68 s GLU 755 CO 0.00 -0.33 1.33 -2.14 0.02 0.00 0.00 175.26 174.13 1f68 s PRO 756 N -4.77 2.79 -0.27 0.39 0.02 -1.26 -4.81 135.00 127.09 1f68 s PRO 756 Ca 0.49 2.15 -0.28 0.00 0.02 0.00 0.00 61.00 63.37 1f68 s PRO 756 Cb -0.10 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 1f68 s PRO 756 CO 0.44 -1.44 1.87 0.08 -0.33 0.00 0.00 177.00 177.63 1f68 s VAL 757 N -1.35 3.38 0.51 3.83 1.01 -1.26 -4.94 120.40 121.58 1f68 s VAL 757 Ca 0.78 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 1f68 s VAL 757 Cb -0.39 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1f68 s VAL 757 CO 0.43 -0.28 0.99 -0.54 0.00 0.00 0.00 175.10 175.70 1f68 s LYS 758 N 5.60 3.94 0.48 2.72 1.02 -1.26 -4.84 119.74 127.40 1f68 s LYS 758 Ca 0.84 1.01 0.14 0.00 0.02 0.00 0.00 55.97 57.98 1f68 s LYS 758 Cb -0.26 -2.13 1.14 0.00 -0.52 0.00 0.00 37.83 36.06 1f68 s LYS 758 CO 0.34 -0.28 2.10 0.87 -0.92 0.00 0.00 175.35 177.46 1f68 h LYS 759 N 1.06 0.18 -0.08 1.68 1.57 -1.92 0.18 116.57 119.23 1f68 h LYS 759 Ca -0.47 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1f68 h LYS 759 Cb 1.19 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1f68 h LYS 759 CO 0.61 0.12 0.05 0.66 -0.57 0.00 0.00 179.45 180.32 1f68 h SER 760 N 0.19 0.10 0.00 0.86 4.64 -2.00 -2.98 113.55 114.36 1f68 h SER 760 Ca 0.08 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1f68 h SER 760 Cb 0.10 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1f68 h SER 760 CO -0.02 0.08 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.27 1f68 h GLU 761 N 0.12 0.00 -1.26 4.77 5.08 -1.12 -3.47 114.58 118.70 1f68 h GLU 761 Ca 0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1f68 h GLU 761 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.04 1f68 h GLU 761 CO -0.01 0.61 -0.53 0.00 -1.00 0.00 0.00 179.01 178.09 1f68 s ALA 762 N -2.42 -1.75 0.26 3.43 0.00 0.08 -5.01 121.76 116.34 1f68 s ALA 762 Ca -0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1f68 s ALA 762 Cb 0.01 -2.54 0.53 0.00 0.00 0.00 0.00 23.12 21.12 1f68 s ALA 762 CO 0.43 -2.20 1.71 -1.35 0.00 0.00 0.00 175.76 174.36 1f68 h PRO 763 N 6.60 0.39 -0.69 0.00 0.11 -1.72 -0.74 132.00 135.95 1f68 h PRO 763 Ca 0.06 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.35 1f68 h PRO 763 Cb 1.13 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1f68 h PRO 763 CO 0.12 0.26 0.63 0.38 -0.21 0.00 0.00 178.00 179.17 1f68 h ASP 764 N 0.40 0.00 -0.81 -2.05 2.03 -1.95 0.57 116.42 114.62 1f68 h ASP 764 Ca 0.45 0.00 0.15 0.00 -0.73 0.00 0.00 57.03 56.91 1f68 h ASP 764 Cb 0.76 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.16 1f68 h ASP 764 CO -0.46 0.00 0.36 0.22 -1.03 0.00 0.00 179.24 178.33 1f68 h TYR 765 N 0.00 0.62 0.00 4.15 3.20 -1.51 0.10 116.97 123.54 1f68 h TYR 765 Ca 0.33 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1f68 h TYR 765 Cb 1.58 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1f68 h TYR 765 CO 0.00 0.09 0.00 1.88 -1.64 0.00 0.00 178.16 178.49 1f68 h TYR 766 N 0.50 0.00 0.05 -3.82 0.05 -1.06 0.28 116.97 112.97 1f68 h TYR 766 Ca 0.45 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.15 1f68 h TYR 766 Cb 0.69 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.44 1f68 h TYR 766 CO -0.14 0.00 -0.33 0.93 -1.05 0.00 0.00 178.16 177.57 1f68 h GLU 767 N 0.00 0.13 0.11 4.88 5.08 -1.19 -3.26 114.58 120.34 1f68 h GLU 767 Ca 0.00 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 1f68 h GLU 767 Cb 0.89 0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1f68 h GLU 767 CO 0.00 1.09 -0.73 0.28 -1.00 0.00 0.00 179.01 178.65 1f68 h VAL 768 N -0.72 1.52 -3.06 3.13 2.07 -0.85 -3.38 116.25 114.95 1f68 h VAL 768 Ca -0.06 -2.45 -0.68 0.00 0.82 0.00 0.00 66.70 64.34 1f68 h VAL 768 Cb 1.24 3.12 -0.38 0.00 -1.52 0.00 0.00 31.29 33.76 1f68 h VAL 768 CO 0.06 0.69 -0.22 -0.38 0.02 0.00 0.00 177.57 177.74 1f68 n ILE 769 N -4.17 2.74 0.78 4.57 2.08 0.97 -4.92 119.36 121.40 1f68 n ILE 769 Ca -0.13 -5.13 0.06 0.00 0.56 0.00 0.00 62.75 58.11 1f68 n ILE 769 Cb 0.78 -2.27 0.35 0.00 -0.75 0.00 0.00 39.64 37.74 1f68 n ILE 769 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1f68 n ARG 770 N 1.93 0.39 -3.53 0.38 1.74 -1.23 -3.94 116.66 112.40 1f68 n ARG 770 Ca 0.23 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.01 1f68 n ARG 770 Cb 0.37 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 1f68 n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1f68 n PHE 771 N -0.97 3.50 -2.25 -1.55 3.72 -1.26 -5.07 117.46 113.58 1f68 n PHE 771 Ca 0.09 -4.06 -0.39 0.00 -0.05 0.00 0.00 57.45 53.04 1f68 n PHE 771 Cb 0.04 -0.70 -0.02 0.00 -0.94 0.00 0.00 39.48 37.86 1f68 n PHE 771 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1f68 s PRO 772 N -2.15 4.17 0.03 -1.08 0.04 -1.25 -5.00 135.00 129.76 1f68 s PRO 772 Ca 0.34 1.95 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 1f68 s PRO 772 Cb 0.07 -2.83 0.09 0.00 0.04 0.00 0.00 34.50 31.87 1f68 s PRO 772 CO -0.05 -0.25 0.79 -1.50 0.04 0.00 0.00 177.00 176.02 1f68 s ILE 773 N -1.31 0.00 0.00 0.56 1.10 -1.26 -5.09 121.20 115.20 1f68 s ILE 773 Ca 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.68 1f68 s ILE 773 Cb -0.34 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.27 1f68 s ILE 773 CO 0.43 0.00 0.00 -0.90 -2.11 0.00 0.00 174.94 172.36 1f68 n ASP 774 N -0.12 0.00 -0.24 4.50 5.68 -1.26 -4.83 116.55 120.28 1f68 n ASP 774 Ca -0.12 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.09 1f68 n ASP 774 Cb 0.62 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.64 1f68 n ASP 774 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1f68 h LEU 775 N 0.00 0.97 0.13 -2.12 3.38 -0.74 0.13 115.31 117.06 1f68 h LEU 775 Ca 0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1f68 h LEU 775 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1f68 h LEU 775 CO 0.00 0.92 -0.14 0.50 0.09 0.00 0.00 178.44 179.81 1f68 h LYS 776 N 0.97 -0.30 -0.69 1.13 3.64 -0.91 0.18 116.57 120.60 1f68 h LYS 776 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1f68 h LYS 776 Cb 0.30 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1f68 h LYS 776 CO -0.01 -0.20 0.36 1.15 -2.27 0.00 0.00 179.45 178.48 1f68 h THR 777 N -0.31 0.90 -0.68 1.00 2.02 -1.70 0.28 112.91 114.42 1f68 h THR 777 Ca 0.01 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1f68 h THR 777 Cb 0.30 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 1f68 h THR 777 CO -0.05 0.11 0.36 0.24 0.37 0.00 0.00 175.52 176.55 1f68 h MET 778 N 0.63 0.62 -0.33 6.66 2.86 -0.29 0.69 114.93 125.76 1f68 h MET 778 Ca 0.33 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 1f68 h MET 778 Cb 0.29 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1f68 h MET 778 CO -0.23 0.41 0.07 1.15 1.06 0.00 0.00 176.91 179.36 1f68 h THR 779 N 0.64 0.84 -0.28 2.22 2.02 0.12 0.23 112.91 118.70 1f68 h THR 779 Ca 0.32 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1f68 h THR 779 Cb 0.27 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1f68 h THR 779 CO -0.22 0.03 0.18 -0.33 0.37 0.00 0.00 175.52 175.55 1f68 h GLU 780 N 0.18 0.36 -1.00 6.66 3.07 -0.30 0.13 114.58 123.67 1f68 h GLU 780 Ca 0.16 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1f68 h GLU 780 Cb 0.17 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.95 1f68 h GLU 780 CO -0.20 0.23 0.66 0.00 -1.40 0.00 0.00 179.01 178.30 1f68 h ARG 781 N 0.37 1.31 0.13 2.33 3.08 -0.37 0.11 114.38 121.34 1f68 h ARG 781 Ca 0.10 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1f68 h ARG 781 Cb -0.03 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 29.72 1f68 h ARG 781 CO -0.03 0.87 -0.06 1.25 -1.07 0.00 0.00 179.97 180.93 1f68 h LEU 782 N 1.35 -0.14 -1.07 3.04 5.85 -0.19 0.03 115.31 124.18 1f68 h LEU 782 Ca 0.36 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 59.09 1f68 h LEU 782 Cb -0.16 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 1f68 h LEU 782 CO -0.08 0.05 0.62 0.03 -0.34 0.00 0.00 178.44 178.72 1f68 h ARG 783 N -0.33 0.87 0.00 1.25 3.08 -0.39 0.15 114.38 119.01 1f68 h ARG 783 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1f68 h ARG 783 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1f68 h ARG 783 CO 0.03 0.58 0.00 0.43 -1.07 0.00 0.00 179.97 179.94 1f68 n SER 784 N -4.63 0.00 -3.86 7.04 7.64 0.36 -4.90 113.62 115.28 1f68 n SER 784 Ca 0.19 -1.32 -0.30 0.00 1.01 0.00 0.00 58.87 58.45 1f68 n SER 784 Cb 0.41 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.81 -4.79 -0.22 1.43 5.12 0.51 -4.87 116.66 113.03 1f68 n ARG 785 Ca 0.14 0.55 -0.08 0.00 -1.93 0.00 0.00 57.85 56.53 1f68 n ARG 785 Cb 0.07 -5.39 0.03 0.00 -1.16 0.00 0.00 32.46 26.00 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 -1.80 1.11 -0.07 -1.55 3.20 -1.22 -3.33 116.97 113.31 1f68 h TYR 786 Ca -0.56 -0.16 -0.67 0.00 3.14 0.00 0.00 58.73 60.48 1f68 h TYR 786 Cb 1.36 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1f68 h TYR 786 CO 0.60 0.95 2.65 0.66 -1.64 0.00 0.00 178.16 181.37 1f68 n TYR 787 N -4.26 2.90 0.29 -3.82 4.01 -1.26 -4.61 117.16 110.41 1f68 n TYR 787 Ca 0.03 -2.43 0.17 0.00 -0.16 0.00 0.00 57.90 55.52 1f68 n TYR 787 Cb 0.29 -2.22 0.69 0.00 -0.31 0.00 0.00 39.34 37.79 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 4.39 0.00 -3.91 -0.72 -1.51 -1.97 -3.43 116.25 109.10 1f68 h VAL 788 Ca 0.49 -0.46 -0.22 0.00 -1.23 0.00 0.00 66.70 65.27 1f68 h VAL 788 Cb 0.68 1.44 -0.24 0.00 -2.13 0.00 0.00 31.29 31.04 1f68 h VAL 788 CO 1.86 0.00 -0.72 0.42 -1.23 0.00 0.00 177.57 177.91 1f68 s THR 789 N -3.66 0.20 0.53 7.19 -4.23 -1.26 -5.04 115.64 109.37 1f68 s THR 789 Ca 0.01 -0.65 0.23 0.00 -1.18 0.00 0.00 61.69 60.10 1f68 s THR 789 Cb 0.09 -0.28 0.35 0.00 1.34 0.00 0.00 72.50 74.00 1f68 s THR 789 CO 0.52 -0.29 2.06 -0.09 -0.54 0.00 0.00 174.62 176.28 1f68 h ARG 790 N 5.13 0.00 -0.88 3.99 2.43 -1.98 -1.02 114.38 122.06 1f68 h ARG 790 Ca -0.30 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.09 1f68 h ARG 790 Cb 1.21 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 1f68 h ARG 790 CO 0.44 0.00 0.34 0.87 -1.51 0.00 0.00 179.97 180.11 1f68 h LYS 791 N 0.00 0.33 -0.27 0.20 6.56 -1.97 0.14 116.57 121.55 1f68 h LYS 791 Ca 0.15 -0.02 -0.17 0.00 -1.06 0.00 0.00 60.65 59.55 1f68 h LYS 791 Cb 0.61 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1f68 h LYS 791 CO -0.00 0.22 -0.47 -0.07 -2.06 0.00 0.00 179.45 177.06 1f68 h LEU 792 N 0.34 0.89 -0.08 2.94 3.38 -1.57 0.11 115.31 121.32 1f68 h LEU 792 Ca 0.55 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1f68 h LEU 792 Cb 1.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1f68 h LEU 792 CO -0.56 1.25 -0.12 0.15 0.09 0.00 0.00 178.44 179.25 1f68 h PHE 793 N 0.57 -0.30 -0.06 1.13 3.04 -1.33 -0.02 116.94 119.97 1f68 h PHE 793 Ca 0.02 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.02 1f68 h PHE 793 Cb 1.08 0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.70 1f68 h PHE 793 CO 0.08 -0.18 -0.15 0.28 -2.02 0.00 0.00 178.31 176.32 1f68 h VAL 794 N -0.17 0.62 -0.22 1.41 2.07 -0.61 0.55 116.25 119.91 1f68 h VAL 794 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1f68 h VAL 794 Cb 0.26 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1f68 h VAL 794 CO -0.18 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.25 1f68 h ALA 795 N 0.77 0.00 -0.42 1.67 0.00 -0.54 0.11 119.26 120.85 1f68 h ALA 795 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1f68 h ALA 795 Cb 0.31 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1f68 h ALA 795 CO -0.18 -0.58 0.27 -0.44 0.00 0.00 0.00 179.25 178.32 1f68 h ASP 796 N -0.15 0.46 -0.33 0.00 5.19 -0.60 0.20 116.42 121.18 1f68 h ASP 796 Ca 0.13 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.48 1f68 h ASP 796 Cb 0.34 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1f68 h ASP 796 CO -0.31 0.33 0.03 0.25 -3.12 0.00 0.00 179.24 176.41 1f68 h LEU 797 N 0.55 0.55 -1.35 1.55 6.46 -0.45 0.24 115.31 122.85 1f68 h LEU 797 Ca 0.16 -0.28 0.10 0.00 -0.12 0.00 0.00 57.88 57.74 1f68 h LEU 797 Cb -0.04 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.69 1f68 h LEU 797 CO -0.05 0.70 0.52 1.56 -0.62 0.00 0.00 178.44 180.55 1f68 h GLN 798 N 0.39 0.69 -0.83 1.25 4.20 -0.58 0.16 115.11 120.38 1f68 h GLN 798 Ca 0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1f68 h GLN 798 Cb 0.40 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1f68 h GLN 798 CO 0.01 0.46 0.44 -0.09 -0.67 0.00 0.00 178.83 178.98 1f68 h ARG 799 N 0.71 1.16 -0.16 1.46 2.43 0.63 0.17 114.38 120.79 1f68 h ARG 799 Ca 0.38 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1f68 h ARG 799 Cb 0.50 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1f68 h ARG 799 CO -0.15 0.86 -0.08 0.28 -1.51 0.00 0.00 179.97 179.37 1f68 h VAL 800 N 1.16 0.74 -0.24 0.20 2.07 0.12 0.19 116.25 120.49 1f68 h VAL 800 Ca 0.29 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.85 1f68 h VAL 800 Cb 0.05 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1f68 h VAL 800 CO -0.04 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.93 1f68 h ILE 801 N -0.07 0.82 0.49 4.57 1.08 -0.58 0.23 117.51 124.04 1f68 h ILE 801 Ca 0.09 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1f68 h ILE 801 Cb 0.21 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1f68 h ILE 801 CO -0.21 0.01 -0.34 0.00 -0.69 0.00 0.00 178.15 176.93 1f68 h ALA 802 N 1.21 -0.82 -0.62 1.87 0.00 -0.37 0.16 119.26 120.69 1f68 h ALA 802 Ca 0.11 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1f68 h ALA 802 Cb 0.15 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1f68 h ALA 802 CO -0.20 -0.98 -0.31 -0.91 0.00 0.00 0.00 179.25 176.85 1f68 h ASN 803 N -0.81 -1.08 0.15 0.00 4.21 -0.47 0.20 115.58 117.78 1f68 h ASN 803 Ca -0.05 0.23 0.02 0.00 1.21 0.00 0.00 56.30 57.70 1f68 h ASN 803 Cb 0.67 0.56 -0.04 0.00 -1.12 0.00 0.00 38.32 38.39 1f68 h ASN 803 CO 0.03 -0.29 -0.34 0.00 -1.29 0.00 0.00 177.43 175.54 1f68 h ARG 805 N -0.58 0.05 -0.17 0.00 3.08 -0.13 0.18 114.38 116.80 1f68 h ARG 805 Ca 0.02 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1f68 h ARG 805 Cb 0.60 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1f68 h ARG 805 CO -0.18 0.49 -0.08 0.93 -1.07 0.00 0.00 179.97 180.06 1f68 h GLU 806 N 0.04 0.36 -0.01 0.04 4.39 -0.49 -3.36 114.58 115.55 1f68 h GLU 806 Ca -0.00 -0.16 -0.17 0.00 0.34 0.00 0.00 59.36 59.38 1f68 h GLU 806 Cb 0.81 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1f68 h GLU 806 CO 0.06 0.67 -0.64 -0.92 -1.16 0.00 0.00 179.01 177.02 1f68 h TYR 807 N 0.04 0.66 -3.01 4.33 3.20 -0.48 -3.46 116.97 118.25 1f68 h TYR 807 Ca 0.04 -0.35 -0.66 0.00 3.14 0.00 0.00 58.73 60.89 1f68 h TYR 807 Cb 0.56 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.66 1f68 h TYR 807 CO 0.06 1.17 -0.55 -0.80 -1.64 0.00 0.00 178.16 176.40 1f68 s ASN 808 N -6.80 5.83 0.80 -2.11 0.01 0.58 -5.09 114.94 108.16 1f68 s ASN 808 Ca -0.13 0.24 -0.12 0.00 -0.71 0.00 0.00 52.86 52.15 1f68 s ASN 808 Cb 0.04 -1.74 0.08 0.00 0.41 0.00 0.00 41.25 40.04 1f68 s ASN 808 CO 0.83 0.32 1.13 -2.16 -1.51 0.00 0.00 177.10 175.72 1f68 s PRO 809 N -1.44 1.85 0.12 -0.60 0.04 -1.26 -4.59 135.00 129.11 1f68 s PRO 809 Ca 0.20 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 1f68 s PRO 809 Cb -0.12 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1f68 s PRO 809 CO 0.10 -1.99 1.70 -1.00 0.04 0.00 0.00 177.00 175.86 1f68 h PRO 810 N -1.11 -0.07 -5.24 0.56 0.13 -1.97 -2.93 132.00 121.37 1f68 h PRO 810 Ca -0.44 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.01 1f68 h PRO 810 Cb 1.26 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1f68 h PRO 810 CO 0.48 -0.05 2.48 -3.47 -0.23 0.00 0.00 178.00 177.21 1f68 n ASP 811 N -5.20 4.52 -4.03 1.44 2.03 -1.26 -4.32 116.55 109.73 1f68 n ASP 811 Ca -0.04 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.26 1f68 n ASP 811 Cb 0.13 -1.71 -0.12 0.00 -0.72 0.00 0.00 41.12 38.70 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 3.97 0.71 0.24 1.67 1.04 -1.11 -5.02 113.70 115.20 1f68 s SER 812 Ca 0.52 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 1f68 s SER 812 Cb 0.07 0.03 0.47 0.00 0.10 0.00 0.00 66.02 66.69 1f68 s SER 812 CO 0.03 -0.17 1.69 -0.33 0.98 0.00 0.00 173.24 175.44 1f68 h GLU 813 N 4.80 0.28 -0.08 4.02 3.07 -1.91 0.61 114.58 125.37 1f68 h GLU 813 Ca -0.34 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.52 1f68 h GLU 813 Cb 1.20 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1f68 h GLU 813 CO 0.42 0.18 -0.15 1.88 -1.40 0.00 0.00 179.01 179.95 1f68 h TYR 814 N 0.29 -0.46 -0.64 4.33 -1.99 -1.95 0.17 116.97 116.72 1f68 h TYR 814 Ca 0.42 0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.18 1f68 h TYR 814 Cb 0.71 0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.61 1f68 h TYR 814 CO -0.25 -0.14 0.41 0.00 -0.00 0.00 0.00 178.16 178.18 1f68 h ARG 816 N 0.83 -0.12 -0.60 0.00 3.08 -0.89 0.91 114.38 117.59 1f68 h ARG 816 Ca 0.24 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1f68 h ARG 816 Cb -0.06 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1f68 h ARG 816 CO -0.07 -0.08 0.37 0.00 -1.07 0.00 0.00 179.97 179.12 1f68 h ALA 818 N 1.25 1.44 0.47 0.00 0.00 -0.08 0.23 119.26 122.58 1f68 h ALA 818 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1f68 h ALA 818 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1f68 h ALA 818 CO -0.09 0.47 -0.29 0.77 0.00 0.00 0.00 179.25 180.11 1f68 h SER 819 N 1.11 -0.72 -0.55 0.00 0.02 0.09 0.19 113.55 113.69 1f68 h SER 819 Ca 0.36 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.39 1f68 h SER 819 Cb 0.04 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1f68 h SER 819 CO -0.11 -0.46 0.30 0.00 -1.14 0.00 0.00 176.83 175.42 1f68 h ALA 820 N -0.24 0.71 0.01 3.77 0.00 -0.82 -0.32 119.26 122.37 1f68 h ALA 820 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1f68 h ALA 820 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1f68 h ALA 820 CO 0.06 -0.03 -0.09 1.25 0.00 0.00 0.00 179.25 180.44 1f68 h LEU 821 N 0.58 -0.26 -0.17 0.00 5.85 -0.42 0.30 115.31 121.19 1f68 h LEU 821 Ca 0.24 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1f68 h LEU 821 Cb 0.11 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1f68 h LEU 821 CO -0.15 -0.13 0.05 -0.08 -0.34 0.00 0.00 178.44 177.79 1f68 h GLU 822 N -0.16 0.12 0.02 1.25 4.81 -0.16 0.18 114.58 120.64 1f68 h GLU 822 Ca 0.03 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1f68 h GLU 822 Cb 0.20 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1f68 h GLU 822 CO -0.09 0.08 -0.16 -0.22 -0.73 0.00 0.00 179.01 177.90 1f68 h LYS 823 N 0.12 -0.26 -0.10 1.92 3.64 -0.86 0.12 116.57 121.15 1f68 h LYS 823 Ca 0.08 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1f68 h LYS 823 Cb 0.06 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1f68 h LYS 823 CO -0.09 -0.17 -0.08 0.35 -2.27 0.00 0.00 179.45 177.18 1f68 h PHE 824 N -0.27 -0.20 0.02 1.91 3.57 -0.57 0.03 116.94 121.44 1f68 h PHE 824 Ca 0.05 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1f68 h PHE 824 Cb 0.33 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1f68 h PHE 824 CO -0.20 -0.13 -0.52 0.35 -2.23 0.00 0.00 178.31 175.58 1f68 h PHE 825 N -0.09 -1.52 -0.64 0.41 3.57 -0.48 0.12 116.94 118.31 1f68 h PHE 825 Ca 0.07 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1f68 h PHE 825 Cb 0.19 0.66 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 1f68 h PHE 825 CO -0.20 -0.57 0.23 1.88 -2.23 0.00 0.00 178.31 177.42 1f68 h TYR 826 N -0.68 0.39 0.23 0.41 0.05 -0.46 0.23 116.97 117.15 1f68 h TYR 826 Ca 0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1f68 h TYR 826 Cb 0.72 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1f68 h TYR 826 CO -0.49 0.08 -0.34 0.35 -1.05 0.00 0.00 178.16 176.70 1f68 h PHE 827 N 0.40 -0.94 0.00 4.88 3.57 -0.61 -2.86 116.94 121.38 1f68 h PHE 827 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1f68 h PHE 827 Cb 0.44 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1f68 h PHE 827 CO -0.18 -0.47 -0.03 0.87 -2.23 0.00 0.00 178.31 176.27 1f68 h LYS 828 N -0.64 0.00 -0.30 1.11 1.79 0.85 0.20 116.57 119.58 1f68 h LYS 828 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1f68 h LYS 828 Cb 0.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1f68 h LYS 828 CO -0.13 0.03 0.19 -0.07 -1.08 0.00 0.00 179.45 178.39 1f68 h LEU 829 N 0.00 0.34 0.01 2.94 3.38 -0.39 -3.26 115.31 118.33 1f68 h LEU 829 Ca -0.00 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1f68 h LEU 829 Cb 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1f68 h LEU 829 CO 0.00 0.25 -1.65 0.29 0.09 0.00 0.00 178.44 177.42 1f68 n LYS 830 N -4.49 0.59 0.00 1.13 4.76 0.42 -4.98 118.16 115.58 1f68 n LYS 830 Ca 0.01 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 1f68 n LYS 830 Cb 0.07 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1f68 n LYS 830 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1f68 n GLU 831 N -4.30 0.00 0.00 1.97 1.02 0.35 -5.14 120.64 114.54 1f68 n GLU 831 Ca -0.38 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.77 1f68 n GLU 831 Cb 0.76 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.25 1f68 n GLU 831 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72