#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 0.00 -0.11 1.61 9.92 -1.26 -1.03 116.55 125.68 1f68 n ASP 731 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1f68 n ASP 731 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1f68 n ASP 731 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1f68 h GLN 732 N 0.00 0.58 -0.40 -1.24 1.08 -2.04 0.86 115.11 113.95 1f68 h GLN 732 Ca 0.00 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.00 1f68 h GLN 732 Cb 0.00 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1f68 h GLN 732 CO 0.00 0.75 0.24 1.25 -0.95 0.00 0.00 178.83 180.13 1f68 h LEU 733 N 0.36 0.40 -0.29 1.46 5.85 -1.52 -0.16 115.31 121.42 1f68 h LEU 733 Ca 0.08 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1f68 h LEU 733 Cb 0.53 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1f68 h LEU 733 CO 0.03 0.29 -0.07 0.22 -0.34 0.00 0.00 178.44 178.56 1f68 h TYR 734 N 0.49 -0.16 -0.36 1.25 3.20 -1.62 0.20 116.97 119.97 1f68 h TYR 734 Ca 0.15 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1f68 h TYR 734 Cb -0.02 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1f68 h TYR 734 CO -0.06 -0.13 0.06 1.15 -1.64 0.00 0.00 178.16 177.54 1f68 h THR 735 N -0.00 0.80 -0.10 1.81 2.02 -0.50 0.21 112.91 117.14 1f68 h THR 735 Ca 0.14 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1f68 h THR 735 Cb 0.22 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1f68 h THR 735 CO -0.30 0.03 -0.06 0.74 0.37 0.00 0.00 175.52 176.30 1f68 h THR 736 N 0.18 0.81 -0.62 3.16 2.02 -0.23 -0.37 112.91 117.86 1f68 h THR 736 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1f68 h THR 736 Cb 0.21 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1f68 h THR 736 CO -0.24 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 175.97 1f68 h LEU 737 N -0.06 0.63 -0.21 2.58 3.38 -0.17 0.15 115.31 121.61 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 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1f68 h LEU 737 CO -0.14 0.44 0.13 0.50 0.09 0.00 0.00 178.44 179.47 1f68 h LYS 738 N 0.76 0.28 -0.37 1.13 3.64 -0.19 0.19 116.57 122.01 1f68 h LYS 738 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1f68 h LYS 738 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1f68 h LYS 738 CO -0.10 0.21 0.23 -0.91 -2.27 0.00 0.00 179.45 176.61 1f68 h ASN 739 N 0.27 0.43 0.13 4.20 2.35 -0.72 0.73 115.58 122.97 1f68 h ASN 739 Ca 0.08 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1f68 h ASN 739 Cb -0.01 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1f68 h ASN 739 CO -0.02 0.33 -0.27 0.25 -1.65 0.00 0.00 177.43 176.08 1f68 h LEU 740 N 0.49 -0.75 -0.17 1.61 5.85 -0.29 -0.24 115.31 121.80 1f68 h LEU 740 Ca 0.13 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1f68 h LEU 740 Cb -0.03 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1f68 h LEU 740 CO -0.03 -0.36 -0.10 0.25 -0.34 0.00 0.00 178.44 177.86 1f68 h LEU 741 N -0.48 -0.33 -0.11 2.25 5.85 -0.48 0.92 115.31 122.92 1f68 h LEU 741 Ca 0.03 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1f68 h LEU 741 Cb 0.51 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1f68 h LEU 741 CO -0.15 -0.14 -0.22 0.00 -0.34 0.00 0.00 178.44 177.59 1f68 h ALA 742 N 1.05 -0.21 -0.08 1.25 0.00 -0.58 0.13 119.26 120.82 1f68 h ALA 742 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1f68 h ALA 742 Cb 0.24 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1f68 h ALA 742 CO -0.23 -0.69 0.01 1.96 0.00 0.00 0.00 179.25 180.30 1f68 h GLN 743 N -0.30 0.04 -0.30 0.00 4.20 -0.71 0.13 115.11 118.16 1f68 h GLN 743 Ca 0.09 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1f68 h GLN 743 Cb 0.43 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 1f68 h GLN 743 CO -0.28 0.03 -0.22 0.82 -0.67 0.00 0.00 178.83 178.51 1f68 h ILE 744 N 0.04 0.41 -0.58 2.54 1.08 -0.44 0.50 117.51 121.05 1f68 h ILE 744 Ca 0.03 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.42 1f68 h ILE 744 Cb 0.03 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 1f68 h ILE 744 CO -0.05 0.00 0.02 0.11 -0.69 0.00 0.00 178.15 177.54 1f68 h LYS 745 N -0.20 1.00 -0.92 2.37 1.57 -0.47 -2.88 116.57 117.04 1f68 h LYS 745 Ca 0.16 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1f68 h LYS 745 Cb 0.44 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1f68 h LYS 745 CO -0.42 0.97 0.52 0.77 -0.57 0.00 0.00 179.45 180.72 1f68 h SER 746 N 0.92 1.13 -1.85 0.86 0.02 -0.09 -3.43 113.55 111.11 1f68 h SER 746 Ca 0.17 -0.09 -0.63 0.00 -0.84 0.00 0.00 61.79 60.41 1f68 h SER 746 Cb 0.51 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1f68 h SER 746 CO 0.02 0.89 1.20 1.57 -1.14 0.00 0.00 176.83 179.37 1f68 n HIS 747 N -4.34 2.16 -0.32 3.45 -0.00 0.11 -4.85 115.22 111.43 1f68 n HIS 747 Ca 0.10 0.04 0.07 0.00 -0.00 0.00 0.00 57.72 57.93 1f68 n HIS 747 Cb 0.08 -2.65 0.23 0.00 -0.00 0.00 0.00 29.99 27.65 1f68 n HIS 747 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1f68 h PRO 748 N 10.40 0.74 0.00 1.57 0.13 -1.86 -0.14 132.00 142.84 1f68 h PRO 748 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1f68 h PRO 748 Cb 1.28 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1f68 h PRO 748 CO 0.96 0.49 0.23 0.77 -0.23 0.00 0.00 178.00 180.23 1f68 h SER 749 N 0.77 0.00 -0.16 1.44 0.02 -1.91 0.08 113.55 113.79 1f68 h SER 749 Ca 0.47 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.47 1f68 h SER 749 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1f68 h SER 749 CO -0.32 0.00 0.17 0.00 -1.14 0.00 0.00 176.83 175.54 1f68 h ALA 750 N 1.42 1.82 -0.84 3.77 0.00 -1.25 -3.38 119.26 120.80 1f68 h ALA 750 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1f68 h ALA 750 Cb 0.47 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.11 1f68 h ALA 750 CO 0.00 -0.26 -0.23 -2.67 0.00 0.00 0.00 179.25 176.10 1f68 n TRP 751 N -3.90 0.26 0.11 0.00 4.27 0.01 -0.73 117.44 117.47 1f68 n TRP 751 Ca 0.01 1.03 0.04 0.00 -3.89 0.00 0.00 57.50 54.69 1f68 n TRP 751 Cb 0.29 -0.96 0.45 0.00 -1.36 0.00 0.00 31.31 29.73 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 0.29 -0.44 -2.67 0.11 -1.87 -2.87 132.00 124.55 1f68 h PRO 752 Ca 0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1f68 h PRO 752 Cb 0.60 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1f68 h PRO 752 CO -0.86 0.30 0.00 1.19 -0.21 0.00 0.00 178.00 178.42 1f68 n PHE 753 N -4.39 0.58 -0.04 0.65 3.72 0.09 -4.45 117.46 113.62 1f68 n PHE 753 Ca -0.00 -0.29 -0.09 0.00 -0.05 0.00 0.00 57.45 57.02 1f68 n PHE 753 Cb 0.17 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 3.50 0.17 -6.25 -1.08 2.86 -1.47 0.12 114.93 112.78 1f68 h MET 754 Ca 0.00 -0.01 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 1f68 h MET 754 Cb 0.79 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.32 1f68 h MET 754 CO 0.00 0.11 -0.61 -1.21 1.06 0.00 0.00 176.91 176.26 1f68 s GLU 755 N -6.18 2.57 0.68 1.72 2.02 -1.26 -2.62 118.70 115.63 1f68 s GLU 755 Ca -0.13 -1.15 -0.16 0.00 0.02 0.00 0.00 54.97 53.55 1f68 s GLU 755 Cb 0.09 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1f68 s GLU 755 CO 0.69 0.42 1.21 -1.25 0.02 0.00 0.00 175.26 176.35 1f68 s PRO 756 N -3.38 2.45 0.28 0.39 0.04 -1.26 -4.78 135.00 128.73 1f68 s PRO 756 Ca 0.30 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1f68 s PRO 756 Cb -0.08 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1f68 s PRO 756 CO 0.21 -1.60 1.61 0.08 0.04 0.00 0.00 177.00 177.34 1f68 s VAL 757 N -1.83 2.08 -0.53 -0.36 1.01 -1.26 -4.87 120.40 114.63 1f68 s VAL 757 Ca 0.76 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.52 1f68 s VAL 757 Cb -0.30 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1f68 s VAL 757 CO 0.41 0.01 1.23 -0.54 0.00 0.00 0.00 175.10 176.21 1f68 s LYS 758 N -0.18 3.56 0.49 2.72 -0.14 -1.26 -4.87 119.74 120.04 1f68 s LYS 758 Ca 0.65 0.43 0.24 0.00 -1.36 0.00 0.00 55.97 55.94 1f68 s LYS 758 Cb -0.48 -4.00 1.29 0.00 -1.68 0.00 0.00 37.83 32.97 1f68 s LYS 758 CO 0.45 -1.62 1.90 0.87 -0.76 0.00 0.00 175.35 176.19 1f68 h LYS 759 N 9.75 0.17 -0.89 1.68 1.57 -1.90 0.25 116.57 127.21 1f68 h LYS 759 Ca -0.25 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1f68 h LYS 759 Cb 1.07 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1f68 h LYS 759 CO 1.16 0.11 0.52 0.66 -0.57 0.00 0.00 179.45 181.33 1f68 h SER 760 N 0.18 1.09 0.00 0.86 4.64 -1.99 -2.74 113.55 115.58 1f68 h SER 760 Ca 0.40 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1f68 h SER 760 Cb 1.31 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1f68 h SER 760 CO -0.07 0.85 -1.09 -0.33 -0.87 0.00 0.00 176.83 175.31 1f68 h GLU 761 N 1.24 0.00 -2.13 4.77 5.08 -1.02 -3.44 114.58 119.08 1f68 h GLU 761 Ca 0.32 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.11 1f68 h GLU 761 Cb -0.02 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.82 1f68 h GLU 761 CO -0.06 0.77 -0.85 0.00 -1.00 0.00 0.00 179.01 177.87 1f68 n ALA 762 N -3.47 3.40 -0.27 3.43 0.00 0.14 -4.92 120.51 118.81 1f68 n ALA 762 Ca -0.26 -4.14 -0.04 0.00 0.00 0.00 0.00 53.44 48.99 1f68 n ALA 762 Cb 0.58 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 19.27 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 3.63 0.94 -1.32 0.00 0.13 -1.67 -2.52 132.00 131.18 1f68 h PRO 763 Ca 0.13 -0.06 0.40 0.00 -0.87 0.00 0.00 66.00 65.60 1f68 h PRO 763 Cb 0.74 -0.21 -0.09 0.00 0.13 0.00 0.00 31.00 31.56 1f68 h PRO 763 CO 0.67 0.62 0.90 0.38 -0.23 0.00 0.00 178.00 180.34 1f68 h ASP 764 N 0.97 0.20 -0.78 1.44 2.03 -1.91 0.91 116.42 119.27 1f68 h ASP 764 Ca 0.28 0.07 0.17 0.00 -0.73 0.00 0.00 57.03 56.82 1f68 h ASP 764 Cb -0.05 0.05 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 1f68 h ASP 764 CO -0.08 -0.05 0.25 0.22 -1.03 0.00 0.00 179.24 178.55 1f68 h TYR 765 N 0.12 0.41 0.00 4.15 3.20 -1.84 0.13 116.97 123.15 1f68 h TYR 765 Ca 0.72 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.64 1f68 h TYR 765 Cb 2.44 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 40.65 1f68 h TYR 765 CO -0.00 -0.04 0.00 0.66 -1.64 0.00 0.00 178.16 177.14 1f68 n TYR 766 N -5.10 0.00 -0.05 -3.82 4.01 0.31 -0.02 117.16 112.49 1f68 n TYR 766 Ca 0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.71 1f68 n TYR 766 Cb 0.49 -0.46 -0.13 0.00 -0.31 0.00 0.00 39.34 38.92 1f68 n TYR 766 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1f68 n GLU 767 N -1.46 0.71 -0.03 -0.72 -0.58 0.04 -4.11 120.64 114.50 1f68 n GLU 767 Ca 0.08 0.21 -0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1f68 n GLU 767 Cb 0.31 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1f68 n GLU 767 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1f68 h VAL 768 N 0.04 0.00 -2.03 2.62 2.07 -0.81 -3.39 116.25 114.74 1f68 h VAL 768 Ca -0.48 -0.74 -0.75 0.00 0.82 0.00 0.00 66.70 65.55 1f68 h VAL 768 Cb 1.99 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.59 1f68 h VAL 768 CO 0.02 0.00 1.49 -0.38 0.02 0.00 0.00 177.57 178.72 1f68 n ILE 769 N -4.14 4.31 -0.23 4.57 2.08 0.97 -4.85 119.36 122.07 1f68 n ILE 769 Ca -0.00 -4.69 0.00 0.00 0.56 0.00 0.00 62.75 58.61 1f68 n ILE 769 Cb 0.01 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.47 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 4.99 0.68 -2.83 0.38 1.74 -1.26 -3.83 116.66 116.54 1f68 n ARG 770 Ca 0.37 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.34 1f68 n ARG 770 Cb 0.41 -1.16 0.04 0.00 -1.02 0.00 0.00 32.46 30.73 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 1.55 -0.51 -1.54 -1.55 3.72 -1.26 -5.11 117.46 112.75 1f68 n PHE 771 Ca 0.00 -2.80 -0.33 0.00 -0.05 0.00 0.00 57.45 54.26 1f68 n PHE 771 Cb 0.34 0.33 0.07 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.71 2.41 -0.23 -1.08 0.04 -1.25 -5.00 135.00 128.18 1f68 s PRO 772 Ca 0.29 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 1f68 s PRO 772 Cb 0.39 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 33.18 1f68 s PRO 772 CO -0.03 -1.57 1.10 -1.50 0.04 0.00 0.00 177.00 175.03 1f68 s ILE 773 N -2.26 0.00 0.28 0.56 1.10 -1.26 -5.08 121.20 114.54 1f68 s ILE 773 Ca 0.69 0.00 -0.14 0.00 -0.51 0.00 0.00 60.65 60.69 1f68 s ILE 773 Cb -0.24 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.38 1f68 s ILE 773 CO 0.45 0.00 0.57 1.51 -2.11 0.00 0.00 174.94 175.36 1f68 s ASP 774 N -0.59 -0.01 0.38 4.50 -4.77 -1.26 -4.85 116.67 110.07 1f68 s ASP 774 Ca 0.02 -0.94 0.09 0.00 -3.30 0.00 0.00 52.55 48.41 1f68 s ASP 774 Cb -0.02 0.66 0.76 0.00 -1.09 0.00 0.00 42.92 43.23 1f68 s ASP 774 CO -0.04 -1.27 1.92 -0.07 0.70 0.00 0.00 175.17 176.41 1f68 h LEU 775 N 2.15 0.28 -0.24 2.11 3.38 -0.92 0.33 115.31 122.40 1f68 h LEU 775 Ca -0.25 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1f68 h LEU 775 Cb 1.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1f68 h LEU 775 CO 0.33 0.41 0.12 0.50 0.09 0.00 0.00 178.44 179.88 1f68 h LYS 776 N 0.29 0.24 -0.35 1.13 3.64 -1.69 0.20 116.57 120.03 1f68 h LYS 776 Ca 0.06 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1f68 h LYS 776 Cb 0.34 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1f68 h LYS 776 CO 0.02 0.16 -0.03 1.15 -2.27 0.00 0.00 179.45 178.47 1f68 h THR 777 N 0.25 0.71 -0.74 1.00 2.02 -1.35 0.27 112.91 115.07 1f68 h THR 777 Ca 0.10 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1f68 h THR 777 Cb 0.03 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1f68 h THR 777 CO -0.07 0.01 0.47 0.24 0.37 0.00 0.00 175.52 176.54 1f68 h MET 778 N 0.06 0.90 0.03 6.66 2.86 -0.69 0.12 114.93 124.87 1f68 h MET 778 Ca 0.17 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1f68 h MET 778 Cb 0.25 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1f68 h MET 778 CO -0.31 0.59 -0.17 1.15 1.06 0.00 0.00 176.91 179.23 1f68 h THR 779 N 0.92 0.59 -0.55 2.22 2.02 0.44 0.15 112.91 118.71 1f68 h THR 779 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 1f68 h THR 779 Cb -0.01 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1f68 h THR 779 CO -0.10 0.00 0.28 -0.33 0.37 0.00 0.00 175.52 175.74 1f68 h GLU 780 N -0.30 0.78 -0.53 6.66 4.39 -0.43 0.27 114.58 125.42 1f68 h GLU 780 Ca 0.04 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1f68 h GLU 780 Cb 0.35 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1f68 h GLU 780 CO -0.14 0.63 0.27 0.00 -1.16 0.00 0.00 179.01 178.61 1f68 h ARG 781 N 0.74 0.51 0.14 2.33 3.08 -0.55 0.13 114.38 120.76 1f68 h ARG 781 Ca 0.19 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1f68 h ARG 781 Cb 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1f68 h ARG 781 CO -0.03 0.34 -0.07 1.25 -1.07 0.00 0.00 179.97 180.40 1f68 h LEU 782 N 0.53 -0.16 -0.80 3.04 6.46 -0.24 0.85 115.31 124.99 1f68 h LEU 782 Ca 0.24 -0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 1f68 h LEU 782 Cb 0.14 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.02 1f68 h LEU 782 CO -0.16 -0.03 0.36 0.03 -0.62 0.00 0.00 178.44 178.02 1f68 h ARG 783 N -0.28 0.50 0.00 1.25 3.08 -0.66 0.01 114.38 118.28 1f68 h ARG 783 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1f68 h ARG 783 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1f68 h ARG 783 CO 0.03 0.33 0.00 0.43 -1.07 0.00 0.00 179.97 179.69 1f68 n SER 784 N -4.95 0.00 -3.85 7.04 7.64 0.41 -4.90 113.62 115.01 1f68 n SER 784 Ca 0.16 -1.19 -0.30 0.00 1.01 0.00 0.00 58.87 58.55 1f68 n SER 784 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.89 -4.29 -0.22 1.43 5.12 -0.01 -4.87 116.66 112.92 1f68 n ARG 785 Ca 0.18 0.51 -0.05 0.00 -1.93 0.00 0.00 57.85 56.56 1f68 n ARG 785 Cb 0.08 -5.31 0.10 0.00 -1.16 0.00 0.00 32.46 26.17 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 -1.62 1.09 0.00 -1.55 5.03 -1.10 -3.29 116.97 115.53 1f68 h TYR 786 Ca -0.55 -0.11 -0.64 0.00 2.58 0.00 0.00 58.73 60.02 1f68 h TYR 786 Cb 1.36 -0.32 0.02 0.00 1.55 0.00 0.00 36.73 39.34 1f68 h TYR 786 CO 0.61 0.87 2.60 0.66 -1.32 0.00 0.00 178.16 181.58 1f68 n TYR 787 N -4.26 2.27 0.19 -3.82 4.01 -1.26 -4.60 117.16 109.70 1f68 n TYR 787 Ca 0.05 -2.17 0.04 0.00 -0.16 0.00 0.00 57.90 55.67 1f68 n TYR 787 Cb 0.23 -1.95 0.39 0.00 -0.31 0.00 0.00 39.34 37.70 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 4.20 1.09 -4.04 -0.72 -1.51 -1.96 -3.44 116.25 109.88 1f68 h VAL 788 Ca 0.48 -1.30 -0.40 0.00 -1.23 0.00 0.00 66.70 64.25 1f68 h VAL 788 Cb 0.60 1.73 -0.27 0.00 -2.13 0.00 0.00 31.29 31.23 1f68 h VAL 788 CO 1.89 0.35 -0.78 0.42 -1.23 0.00 0.00 177.57 178.22 1f68 s THR 789 N -4.01 0.85 0.36 7.19 -4.23 -1.26 -4.72 115.64 109.82 1f68 s THR 789 Ca -0.02 -0.66 0.10 0.00 -1.18 0.00 0.00 61.69 59.92 1f68 s THR 789 Cb 0.13 -0.75 0.33 0.00 1.34 0.00 0.00 72.50 73.55 1f68 s THR 789 CO 0.70 0.09 1.87 -0.09 -0.54 0.00 0.00 174.62 176.64 1f68 h ARG 790 N 5.46 0.65 -0.94 3.99 2.43 -1.97 -1.20 114.38 122.79 1f68 h ARG 790 Ca -0.34 -0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.07 1f68 h ARG 790 Cb 1.18 -0.15 -0.16 0.00 -0.42 0.00 0.00 29.97 30.42 1f68 h ARG 790 CO 0.47 0.43 0.20 0.87 -1.51 0.00 0.00 179.97 180.43 1f68 h LYS 791 N 0.66 0.09 -0.51 0.20 1.79 -1.98 0.10 116.57 116.94 1f68 h LYS 791 Ca 0.45 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.80 1f68 h LYS 791 Cb 0.76 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 1f68 h LYS 791 CO -0.21 0.06 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.01 1f68 h LEU 792 N 0.10 0.99 0.03 2.94 3.38 -1.61 0.16 115.31 121.29 1f68 h LEU 792 Ca 0.62 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1f68 h LEU 792 Cb 1.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1f68 h LEU 792 CO -0.78 1.12 -0.01 0.15 0.09 0.00 0.00 178.44 179.01 1f68 h PHE 793 N 0.86 -0.03 -0.49 1.13 3.04 -1.01 -0.60 116.94 119.84 1f68 h PHE 793 Ca 0.13 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.16 1f68 h PHE 793 Cb 0.71 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.16 1f68 h PHE 793 CO 0.05 0.16 0.08 0.28 -2.02 0.00 0.00 178.31 176.86 1f68 h VAL 794 N -0.22 0.71 0.28 1.41 2.07 -0.71 0.13 116.25 119.92 1f68 h VAL 794 Ca -0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1f68 h VAL 794 Cb 0.21 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1f68 h VAL 794 CO 0.01 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.44 1f68 h ALA 795 N 1.39 -0.46 -0.48 1.67 0.00 -0.57 -1.28 119.26 119.53 1f68 h ALA 795 Ca 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1f68 h ALA 795 Cb 0.33 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1f68 h ALA 795 CO -0.33 -0.77 0.31 -0.44 0.00 0.00 0.00 179.25 178.02 1f68 h ASP 796 N -0.47 0.54 -0.06 0.00 5.19 -0.54 0.16 116.42 121.23 1f68 h ASP 796 Ca -0.02 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1f68 h ASP 796 Cb 0.41 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1f68 h ASP 796 CO 0.01 0.39 0.04 0.25 -3.12 0.00 0.00 179.24 176.80 1f68 h LEU 797 N 0.64 0.07 -0.97 1.55 7.12 -0.70 0.13 115.31 123.14 1f68 h LEU 797 Ca 0.18 -0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.29 1f68 h LEU 797 Cb -0.06 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 39.97 1f68 h LEU 797 CO -0.05 0.06 0.60 1.56 -0.13 0.00 0.00 178.44 180.49 1f68 h GLN 798 N 0.06 0.94 -0.85 1.25 4.20 -0.97 -1.48 115.11 118.26 1f68 h GLN 798 Ca 0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1f68 h GLN 798 Cb 0.01 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1f68 h GLN 798 CO -0.00 0.62 0.41 -0.09 -0.67 0.00 0.00 178.83 179.10 1f68 h ARG 799 N 0.97 1.23 -0.11 1.46 2.43 0.78 0.16 114.38 121.30 1f68 h ARG 799 Ca 0.47 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1f68 h ARG 799 Cb 0.44 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1f68 h ARG 799 CO -0.26 0.94 -0.25 0.28 -1.51 0.00 0.00 179.97 179.17 1f68 h VAL 800 N 1.21 0.41 -0.00 0.20 2.07 0.21 0.19 116.25 120.54 1f68 h VAL 800 Ca 0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.82 1f68 h VAL 800 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1f68 h VAL 800 CO -0.04 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.91 1f68 h ILE 801 N -0.33 0.87 0.30 4.57 2.04 -0.91 0.17 117.51 124.22 1f68 h ILE 801 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1f68 h ILE 801 Cb 0.47 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1f68 h ILE 801 CO -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.55 1f68 h ALA 802 N 0.91 -0.64 -0.47 1.87 0.00 -0.47 -0.88 119.26 119.57 1f68 h ALA 802 Ca 0.02 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1f68 h ALA 802 Cb 0.11 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1f68 h ALA 802 CO -0.05 -0.90 -0.09 -0.91 0.00 0.00 0.00 179.25 177.30 1f68 h ASN 803 N -0.64 -0.39 -0.02 0.00 4.21 -0.49 0.21 115.58 118.46 1f68 h ASN 803 Ca -0.01 0.14 0.03 0.00 1.21 0.00 0.00 56.30 57.67 1f68 h ASN 803 Cb 0.58 0.27 -0.06 0.00 -1.12 0.00 0.00 38.32 38.00 1f68 h ASN 803 CO -0.06 -0.14 -0.37 0.00 -1.29 0.00 0.00 177.43 175.57 1f68 h ARG 805 N -0.52 1.09 -0.06 0.00 3.08 -0.36 0.96 114.38 118.58 1f68 h ARG 805 Ca 0.06 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1f68 h ARG 805 Cb 0.61 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1f68 h ARG 805 CO -0.31 0.90 0.03 0.93 -1.07 0.00 0.00 179.97 180.45 1f68 h GLU 806 N 1.06 0.09 0.01 0.04 4.39 -0.33 -3.36 114.58 116.48 1f68 h GLU 806 Ca 0.24 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 1f68 h GLU 806 Cb 0.24 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1f68 h GLU 806 CO -0.02 0.21 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.08 1f68 h TYR 807 N -0.05 0.03 -4.06 4.33 3.20 -0.76 -3.47 116.97 116.20 1f68 h TYR 807 Ca 0.02 -0.02 -0.48 0.00 3.14 0.00 0.00 58.73 61.39 1f68 h TYR 807 Cb 0.15 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.43 1f68 h TYR 807 CO -0.02 0.97 0.30 -0.80 -1.64 0.00 0.00 178.16 176.97 1f68 s ASN 808 N -6.22 6.61 0.11 -2.11 0.01 0.31 -4.99 114.94 108.66 1f68 s ASN 808 Ca -0.18 1.46 -0.36 0.00 -0.71 0.00 0.00 52.86 53.06 1f68 s ASN 808 Cb -0.02 -2.46 -0.16 0.00 0.41 0.00 0.00 41.25 39.02 1f68 s ASN 808 CO 0.70 -0.53 1.41 -2.65 -1.51 0.00 0.00 177.10 174.52 1f68 n PRO 809 N -1.47 1.47 -0.32 -0.60 -0.02 -1.26 -4.73 135.00 128.07 1f68 n PRO 809 Ca 0.05 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 62.05 1f68 n PRO 809 Cb 0.54 -2.21 0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.98 -0.05 -6.14 0.52 0.11 -1.94 -2.91 132.00 126.58 1f68 h PRO 810 Ca -0.47 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.09 1f68 h PRO 810 Cb 1.31 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 1f68 h PRO 810 CO 0.81 -0.03 1.31 0.34 -0.21 0.00 0.00 178.00 180.22 1f68 s ASP 811 N -5.29 6.25 0.20 -2.05 2.15 -1.26 -4.68 116.67 111.99 1f68 s ASP 811 Ca -0.14 -1.05 -0.14 0.00 0.43 0.00 0.00 52.55 51.64 1f68 s ASP 811 Cb 0.20 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 1f68 s ASP 811 CO 0.71 -1.73 0.44 -0.94 -0.17 0.00 0.00 175.17 173.48 1f68 s SER 812 N 5.02 -0.13 0.20 -0.34 1.04 -1.10 -5.01 113.70 113.38 1f68 s SER 812 Ca 0.46 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 1f68 s SER 812 Cb -0.03 0.54 0.19 0.00 0.10 0.00 0.00 66.02 66.82 1f68 s SER 812 CO -0.01 -1.02 1.84 -0.33 0.98 0.00 0.00 173.24 174.69 1f68 h GLU 813 N 2.32 0.78 -0.20 4.02 3.07 -1.92 -1.34 114.58 121.30 1f68 h GLU 813 Ca -0.29 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.53 1f68 h GLU 813 Cb 1.25 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1f68 h GLU 813 CO 0.40 0.52 0.12 1.88 -1.40 0.00 0.00 179.01 180.52 1f68 h TYR 814 N 0.80 0.22 -0.30 4.33 0.05 -1.95 0.18 116.97 120.30 1f68 h TYR 814 Ca 0.28 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 1f68 h TYR 814 Cb 0.05 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1f68 h TYR 814 CO -0.05 0.13 0.15 0.00 -1.05 0.00 0.00 178.16 177.34 1f68 h ARG 816 N 0.35 -0.02 -0.32 0.00 3.08 -0.89 0.90 114.38 117.49 1f68 h ARG 816 Ca 0.10 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.21 1f68 h ARG 816 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1f68 h ARG 816 CO -0.01 -0.01 -0.01 0.00 -1.07 0.00 0.00 179.97 178.86 1f68 h ALA 818 N 1.29 0.98 -0.17 0.00 0.00 -0.46 0.12 119.26 121.03 1f68 h ALA 818 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1f68 h ALA 818 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1f68 h ALA 818 CO -0.27 0.21 0.06 0.77 0.00 0.00 0.00 179.25 180.02 1f68 h SER 819 N 0.86 0.23 -0.32 0.00 0.02 0.07 0.22 113.55 114.64 1f68 h SER 819 Ca 0.31 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1f68 h SER 819 Cb 0.08 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1f68 h SER 819 CO -0.14 0.34 0.06 0.00 -1.14 0.00 0.00 176.83 175.95 1f68 h ALA 820 N 0.90 0.33 -0.56 3.77 0.00 -0.44 -1.22 119.26 122.04 1f68 h ALA 820 Ca 0.05 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1f68 h ALA 820 Cb 0.18 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1f68 h ALA 820 CO -0.00 -0.35 0.26 1.25 0.00 0.00 0.00 179.25 180.40 1f68 h LEU 821 N 0.17 0.33 0.23 0.00 5.85 -0.50 -0.13 115.31 121.26 1f68 h LEU 821 Ca 0.15 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1f68 h LEU 821 Cb 0.17 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1f68 h LEU 821 CO -0.20 0.22 -0.37 -0.08 -0.34 0.00 0.00 178.44 177.67 1f68 h GLU 822 N 0.48 -0.65 -0.17 1.25 4.81 0.08 0.23 114.58 120.62 1f68 h GLU 822 Ca 0.26 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1f68 h GLU 822 Cb 0.23 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1f68 h GLU 822 CO -0.21 -0.43 0.06 0.87 -0.73 0.00 0.00 179.01 178.57 1f68 h LYS 823 N -0.67 0.25 -0.15 1.92 1.79 -0.94 0.03 116.57 118.79 1f68 h LYS 823 Ca 0.00 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1f68 h LYS 823 Cb 0.65 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.20 1f68 h LYS 823 CO -0.15 0.34 -0.54 0.35 -1.08 0.00 0.00 179.45 178.37 1f68 h PHE 824 N 0.11 -1.62 -0.71 -1.35 3.57 -0.93 -2.19 116.94 113.82 1f68 h PHE 824 Ca 0.06 0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.74 1f68 h PHE 824 Cb 0.18 0.73 -0.13 0.00 2.79 0.00 0.00 35.95 39.52 1f68 h PHE 824 CO -0.01 -0.54 -0.33 0.35 -2.23 0.00 0.00 178.31 175.55 1f68 h PHE 825 N -0.57 -0.89 -0.63 0.41 3.57 -0.33 0.13 116.94 118.62 1f68 h PHE 825 Ca 0.04 0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1f68 h PHE 825 Cb 0.68 0.50 -0.09 0.00 2.79 0.00 0.00 35.95 39.82 1f68 h PHE 825 CO -0.60 -0.38 0.17 1.88 -2.23 0.00 0.00 178.31 177.15 1f68 h TYR 826 N -0.10 0.27 -0.15 0.41 0.05 -0.39 0.18 116.97 117.23 1f68 h TYR 826 Ca 0.28 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 1f68 h TYR 826 Cb 0.57 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1f68 h TYR 826 CO -0.69 -0.01 0.05 0.74 -1.05 0.00 0.00 178.16 177.20 1f68 h PHE 827 N 0.30 0.25 -0.47 4.88 0.04 -0.60 -3.12 116.94 118.23 1f68 h PHE 827 Ca 0.34 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.12 1f68 h PHE 827 Cb 0.50 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1f68 h PHE 827 CO -0.23 0.36 0.31 0.87 -0.60 0.00 0.00 178.31 179.03 1f68 h LYS 828 N 0.06 0.46 -0.98 1.51 1.79 0.54 0.10 116.57 120.06 1f68 h LYS 828 Ca 0.05 -0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 1f68 h LYS 828 Cb 0.23 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.71 1f68 h LYS 828 CO -0.00 0.31 0.63 -0.07 -1.08 0.00 0.00 179.45 179.23 1f68 h LEU 829 N 0.48 0.99 -0.06 2.94 3.38 -0.64 0.20 115.31 122.59 1f68 h LEU 829 Ca 0.19 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1f68 h LEU 829 Cb 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1f68 h LEU 829 CO -0.05 0.62 -0.10 0.11 0.09 0.00 0.00 178.44 179.11 1f68 h LYS 830 N 1.12 0.17 -0.29 1.13 1.57 -0.86 -3.32 116.57 116.09 1f68 h LYS 830 Ca 0.43 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1f68 h LYS 830 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1f68 h LYS 830 CO -0.19 0.67 0.09 0.93 -0.57 0.00 0.00 179.45 180.38 1f68 h GLU 831 N -0.31 0.45 0.00 3.15 5.08 -0.88 -3.52 114.58 118.55 1f68 h GLU 831 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1f68 h GLU 831 Cb 0.66 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1f68 h GLU 831 CO 0.02 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 178.94