#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8r h LEU 608 N 0.00 0.75 -0.42 0.99 5.85 -1.84 -1.51 115.31 119.12 3i8r h LEU 608 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i8r h LEU 608 Cb 0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3i8r h LEU 608 CO 0.00 0.51 0.27 0.00 -0.34 0.00 0.00 178.44 178.88 3i8r h ALA 609 N 1.58 0.53 -0.29 1.25 0.00 -1.84 0.52 119.26 121.02 3i8r h ALA 609 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i8r h ALA 609 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i8r h ALA 609 CO -0.08 0.00 0.14 0.28 0.00 0.00 0.00 179.25 179.59 3i8r h VAL 610 N 0.56 1.14 -0.73 0.00 2.07 -1.85 -1.68 116.25 115.76 3i8r h VAL 610 Ca 0.15 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3i8r h VAL 610 Cb -0.04 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3i8r h VAL 610 CO -0.03 0.14 0.41 -0.08 0.02 0.00 0.00 177.57 178.03 3i8r h GLU 611 N 0.33 1.01 -0.48 1.57 4.81 -0.73 0.14 114.58 121.24 3i8r h GLU 611 Ca 0.10 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3i8r h GLU 611 Cb 0.10 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3i8r h GLU 611 CO -0.01 0.75 0.24 -0.07 -0.73 0.00 0.00 179.01 179.18 3i8r h LEU 612 N 1.00 0.34 -0.06 1.64 3.38 0.09 0.53 115.31 122.24 3i8r h LEU 612 Ca 0.26 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3i8r h LEU 612 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i8r h LEU 612 CO -0.04 0.24 -0.03 0.50 0.09 0.00 0.00 178.44 179.20 3i8r h LYS 613 N 0.47 0.12 -0.55 1.13 3.64 -0.87 -2.21 116.57 118.30 3i8r h LYS 613 Ca 0.21 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3i8r h LYS 613 Cb 0.12 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 3i8r h LYS 613 CO -0.15 0.50 0.12 1.96 -2.27 0.00 0.00 179.45 179.62 3i8r h GLN 614 N -0.26 0.25 0.00 1.90 4.20 -0.59 -0.56 115.11 120.05 3i8r h GLN 614 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3i8r h GLN 614 Cb 0.47 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3i8r h GLN 614 CO 0.01 0.17 -0.11 1.03 -0.67 0.00 0.00 178.83 179.26 3i8r h SER 615 N 0.26 0.00 -0.25 1.46 0.87 0.20 -2.92 113.55 113.16 3i8r h SER 615 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3i8r h SER 615 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3i8r h SER 615 CO -0.35 0.11 0.00 0.35 -0.53 0.00 0.00 176.83 176.40 3i8r n THR 616 N -4.36 0.72 -0.15 2.23 -2.24 -0.84 -4.70 114.28 104.94 3i8r n THR 616 Ca -0.03 -0.86 -0.09 0.00 -2.27 0.00 0.00 64.05 60.80 3i8r n THR 616 Cb 0.18 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 3i8r n THR 616 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8r h ALA 617 N 2.04 0.56 -0.91 6.98 0.00 -0.90 -0.52 119.26 126.50 3i8r h ALA 617 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3i8r h ALA 617 Cb 0.65 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3i8r h ALA 617 CO 0.00 0.25 0.59 0.37 0.00 0.00 0.00 179.25 180.46 3i8r h GLN 618 N 0.55 1.13 -0.48 0.00 4.15 -1.84 -0.77 115.11 117.85 3i8r h GLN 618 Ca 0.13 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3i8r h GLN 618 Cb 0.33 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3i8r h GLN 618 CO 0.00 0.75 -0.07 0.00 -1.93 0.00 0.00 178.83 177.58 3i8r h ALA 619 N 1.36 0.97 -0.56 3.38 0.00 -1.80 -2.16 119.26 120.45 3i8r h ALA 619 Ca 0.35 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3i8r h ALA 619 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i8r h ALA 619 CO -0.11 0.61 0.06 1.25 0.00 0.00 0.00 179.25 181.06 3i8r h HIS 620 N 0.77 1.03 -0.68 0.00 -0.00 -0.66 -1.01 115.15 114.60 3i8r h HIS 620 Ca 0.14 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 3i8r h HIS 620 Cb 0.56 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 3i8r h HIS 620 CO 0.03 0.91 0.35 1.49 -0.00 0.00 0.00 177.93 180.72 3i8r h GLU 621 N 0.85 0.96 -0.92 5.26 4.81 -1.01 -1.29 114.58 123.23 3i8r h GLU 621 Ca 0.17 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3i8r h GLU 621 Cb 0.46 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 3i8r h GLU 621 CO 0.02 0.72 0.60 0.87 -0.73 0.00 0.00 179.01 180.49 3i8r h LYS 622 N 0.96 1.17 -0.31 1.92 1.57 -0.86 -2.23 116.57 118.78 3i8r h LYS 622 Ca 0.24 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3i8r h LYS 622 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3i8r h LYS 622 CO -0.04 0.77 0.01 0.00 -0.57 0.00 0.00 179.45 179.63 3i8r h ALA 623 N 1.36 0.41 -0.66 3.86 0.00 -0.86 -1.85 119.26 121.53 3i8r h ALA 623 Ca 0.35 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.18 3i8r h ALA 623 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3i8r h ALA 623 CO -0.10 0.15 0.45 0.93 0.00 0.00 0.00 179.25 180.68 3i8r h GLU 624 N 0.34 0.25 -0.35 0.00 5.08 -0.96 -0.19 114.58 118.75 3i8r h GLU 624 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i8r h GLU 624 Cb 0.41 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3i8r h GLU 624 CO 0.01 0.17 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 3i8r n HIS 625 N -4.44 0.45 -1.29 4.33 8.25 -0.87 -4.54 115.22 117.11 3i8r n HIS 625 Ca 0.12 -0.22 -0.50 0.00 -0.26 0.00 0.00 57.72 56.85 3i8r n HIS 625 Cb 0.54 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 3i8r n HIS 625 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i8r n SER 626 N 1.06 -0.10 0.20 0.41 2.88 -0.09 -4.83 113.62 113.15 3i8r n SER 626 Ca 0.18 1.00 -0.15 0.00 -1.33 0.00 0.00 58.87 58.58 3i8r n SER 626 Cb 0.50 -0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 63.08 3i8r n SER 626 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i8r h THR 627 N 2.44 0.68 -0.40 2.46 2.02 -1.91 -0.56 112.91 117.65 3i8r h THR 627 Ca -0.42 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 66.74 3i8r h THR 627 Cb 1.24 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 3i8r h THR 627 CO 0.56 0.02 -0.18 0.15 0.37 0.00 0.00 175.52 176.44 3i8r h PHE 628 N -0.51 -0.45 -0.27 3.16 3.57 -1.90 -0.02 116.94 120.52 3i8r h PHE 628 Ca -0.05 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 3i8r h PHE 628 Cb 0.38 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 3i8r h PHE 628 CO -0.04 -0.26 -0.53 0.52 -2.23 0.00 0.00 178.31 175.77 3i8r h MET 629 N -0.11 0.78 -0.29 1.11 2.86 -1.85 0.16 114.93 117.60 3i8r h MET 629 Ca 0.20 -0.48 -0.13 0.00 -2.06 0.00 0.00 59.70 57.23 3i8r h MET 629 Cb 0.41 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3i8r h MET 629 CO -0.47 1.11 -0.35 0.66 1.06 0.00 0.00 176.91 178.92 3i8r h SER 630 N 0.60 0.67 -0.48 1.22 4.64 -0.93 -0.47 113.55 118.80 3i8r h SER 630 Ca 0.02 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.94 3i8r h SER 630 Cb 1.11 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3i8r h SER 630 CO 0.11 0.96 -0.15 0.44 -0.87 0.00 0.00 176.83 177.33 3i8r h ASP 631 N 0.54 0.98 -0.07 4.97 5.19 -0.85 -1.10 116.42 126.09 3i8r h ASP 631 Ca 0.06 -0.34 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 3i8r h ASP 631 Cb 0.86 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 3i8r h ASP 631 CO 0.07 1.12 -0.00 0.25 -3.12 0.00 0.00 179.24 177.56 3i8r h LEU 632 N 0.86 -0.03 -0.70 1.55 5.85 -0.76 -0.86 115.31 121.23 3i8r h LEU 632 Ca 0.13 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3i8r h LEU 632 Cb 0.71 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3i8r h LEU 632 CO 0.05 -0.01 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.90 3i8r h LEU 633 N 0.02 0.00 -0.77 2.25 3.38 -0.97 -2.89 115.31 116.32 3i8r h LEU 633 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3i8r h LEU 633 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i8r h LEU 633 CO -0.05 0.18 -0.17 0.50 0.09 0.00 0.00 178.44 178.98 3i8r h LYS 634 N 0.00 0.00 0.00 1.13 3.64 -1.10 -3.47 116.57 116.77 3i8r h LYS 634 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i8r h LYS 634 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3i8r h LYS 634 CO 0.02 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 3i8r n GLY 635 N 0.50 0.86 0.20 5.01 0.00 -1.09 -4.99 105.19 105.67 3i8r n GLY 635 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3i8r n GLY 635 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i8r h ARG 636 N 3.43 0.00 0.00 1.61 3.08 -1.37 -3.45 114.38 117.68 3i8r h ARG 636 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8r h ARG 636 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i8r h ARG 636 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3i8r n LEU 637 N -2.99 0.00 0.00 3.04 4.77 -1.21 -5.00 117.00 115.61 3i8r n LEU 637 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 3i8r n LEU 637 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3i8r n LEU 637 CO 0.34 0.00 0.70 0.61 -1.33 0.00 0.00 177.39 177.71 3i8r n GLY 638 N 5.00 0.22 0.21 -0.72 0.00 -1.26 -4.99 105.19 103.64 3i8r n GLY 638 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.14 3i8r n GLY 638 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i8r h VAL 639 N 1.58 1.18 -0.24 1.61 2.07 -1.97 -2.63 116.25 117.84 3i8r h VAL 639 Ca -0.11 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3i8r h VAL 639 Cb 0.68 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3i8r h VAL 639 CO 0.17 0.27 0.06 0.00 0.02 0.00 0.00 177.57 178.09 3i8r h ALA 640 N 1.72 0.25 -0.50 1.67 0.00 -1.99 0.84 119.26 121.26 3i8r h ALA 640 Ca -0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3i8r h ALA 640 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i8r h ALA 640 CO 0.04 -0.36 -0.17 0.93 0.00 0.00 0.00 179.25 179.68 3i8r h GLU 641 N 0.16 0.99 -0.69 0.00 3.07 -1.90 -0.84 114.58 115.36 3i8r h GLU 641 Ca 0.11 -0.40 0.03 0.00 -0.50 0.00 0.00 59.36 58.60 3i8r h GLU 641 Cb 0.09 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 3i8r h GLU 641 CO -0.13 1.07 0.43 0.35 -1.40 0.00 0.00 179.01 179.33 3i8r h PHE 642 N 0.86 0.81 -0.57 4.33 3.57 -1.11 -1.77 116.94 123.06 3i8r h PHE 642 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3i8r h PHE 642 Cb 0.74 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3i8r h PHE 642 CO 0.05 0.46 0.15 1.15 -2.23 0.00 0.00 178.31 177.89 3i8r h THR 643 N 0.85 1.25 -0.80 4.41 2.02 -0.46 -0.68 112.91 119.49 3i8r h THR 643 Ca 0.28 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3i8r h THR 643 Cb 0.02 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 3i8r h THR 643 CO -0.11 0.32 0.49 0.03 0.37 0.00 0.00 175.52 176.62 3i8r h ARG 644 N 0.81 1.09 -0.16 6.66 3.08 -0.87 0.53 114.38 125.52 3i8r h ARG 644 Ca 0.18 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.18 3i8r h ARG 644 Cb 0.33 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3i8r h ARG 644 CO -0.00 0.77 -0.14 1.25 -1.07 0.00 0.00 179.97 180.78 3i8r h LEU 645 N 1.10 -0.44 -1.32 3.04 5.85 -0.88 -1.95 115.31 120.70 3i8r h LEU 645 Ca 0.29 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 3i8r h LEU 645 Cb -0.05 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3i8r h LEU 645 CO -0.05 -0.18 -0.30 1.56 -0.34 0.00 0.00 178.44 179.12 3i8r h GLN 646 N -0.15 0.00 -0.26 1.25 1.08 -0.44 -0.27 115.11 116.32 3i8r h GLN 646 Ca 0.10 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3i8r h GLN 646 Cb 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3i8r h GLN 646 CO -0.26 0.30 -0.09 0.93 -0.95 0.00 0.00 178.83 178.76 3i8r h GLU 647 N 0.00 0.52 -0.62 1.46 5.08 -0.66 0.38 114.58 120.74 3i8r h GLU 647 Ca -0.00 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3i8r h GLU 647 Cb 0.65 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3i8r h GLU 647 CO 0.04 0.76 0.26 1.96 -1.00 0.00 0.00 179.01 181.02 3i8r h GLN 648 N 0.26 0.92 -0.98 2.33 1.08 -0.82 -2.52 115.11 115.37 3i8r h GLN 648 Ca 0.06 -0.16 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3i8r h GLN 648 Cb 0.58 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 3i8r h GLN 648 CO 0.03 0.77 0.63 0.00 -0.95 0.00 0.00 178.83 179.31 3i8r h ALA 649 N 1.10 1.36 -0.77 3.87 0.00 -0.86 -1.74 119.26 122.22 3i8r h ALA 649 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3i8r h ALA 649 Cb 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3i8r h ALA 649 CO -0.02 0.43 0.51 2.35 0.00 0.00 0.00 179.25 182.52 3i8r h TRP 650 N 1.16 0.92 -0.04 0.00 7.01 -0.49 0.41 115.95 124.91 3i8r h TRP 650 Ca 0.42 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.44 3i8r h TRP 650 Cb 0.15 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3i8r h TRP 650 CO -0.01 0.54 0.01 -0.07 -2.79 0.00 0.00 178.44 176.12 3i8r h LEU 651 N 0.95 0.06 0.00 0.65 3.38 -1.13 -0.94 115.31 118.28 3i8r h LEU 651 Ca 0.31 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3i8r h LEU 651 Cb 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3i8r h LEU 651 CO -0.09 0.28 -0.95 2.19 0.09 0.00 0.00 178.44 179.96 3i8r h PHE 652 N -0.16 0.00 -0.44 1.13 -5.15 -1.00 -2.63 116.94 108.68 3i8r h PHE 652 Ca 0.01 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.75 3i8r h PHE 652 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.39 3i8r h PHE 652 CO 0.01 0.82 0.15 1.88 -2.00 0.00 0.00 178.31 179.16 3i8r h TYR 653 N 0.00 0.65 -0.22 6.09 0.05 -0.22 0.17 116.97 123.49 3i8r h TYR 653 Ca -0.05 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 3i8r h TYR 653 Cb 1.66 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 39.19 3i8r h TYR 653 CO 0.00 0.53 0.14 1.15 -1.05 0.00 0.00 178.16 178.93 3i8r h THR 654 N 0.64 1.08 -0.45 -2.88 2.02 -1.03 -0.12 112.91 112.16 3i8r h THR 654 Ca 0.15 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3i8r h THR 654 Cb 0.18 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3i8r h THR 654 CO -0.01 0.08 0.08 0.00 0.37 0.00 0.00 175.52 176.04 3i8r h ALA 655 N 1.05 0.59 -0.45 6.16 0.00 -1.19 -2.25 119.26 123.17 3i8r h ALA 655 Ca 0.08 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3i8r h ALA 655 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3i8r h ALA 655 CO -0.02 0.30 0.15 1.25 0.00 0.00 0.00 179.25 180.94 3i8r h LEU 656 N 0.60 0.15 -1.09 0.00 5.85 -0.45 -0.89 115.31 119.48 3i8r h LEU 656 Ca 0.14 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3i8r h LEU 656 Cb 0.37 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3i8r h LEU 656 CO 0.01 0.12 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.55 3i8r h GLU 657 N 0.32 0.21 -0.60 1.25 5.08 -0.88 0.37 114.58 120.32 3i8r h GLU 657 Ca 0.21 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3i8r h GLU 657 Cb 0.22 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3i8r h GLU 657 CO -0.23 0.53 0.32 1.96 -1.00 0.00 0.00 179.01 180.59 3i8r h GLN 658 N 0.18 0.83 -0.18 2.33 4.20 -0.76 -1.16 115.11 120.55 3i8r h GLN 658 Ca 0.02 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 3i8r h GLN 658 Cb 0.69 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3i8r h GLN 658 CO 0.05 0.61 -0.52 0.00 -0.67 0.00 0.00 178.83 178.31 3i8r h ALA 659 N 1.52 0.30 -0.91 3.87 0.00 -0.13 -2.38 119.26 121.53 3i8r h ALA 659 Ca 0.21 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.70 3i8r h ALA 659 Cb 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3i8r h ALA 659 CO -0.03 0.49 0.57 0.28 0.00 0.00 0.00 179.25 180.55 3i8r h VAL 660 N 0.35 1.00 -0.50 0.00 2.07 -0.84 -0.44 116.25 117.90 3i8r h VAL 660 Ca -0.01 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3i8r h VAL 660 Cb 1.14 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3i8r h VAL 660 CO 0.11 0.18 0.03 0.44 0.02 0.00 0.00 177.57 178.35 3i8r h ASP 661 N 0.99 0.84 -0.23 0.57 3.32 -1.13 0.03 116.42 120.80 3i8r h ASP 661 Ca 0.42 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i8r h ASP 661 Cb 0.27 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3i8r h ASP 661 CO -0.20 0.93 0.15 0.00 -1.72 0.00 0.00 179.24 178.40 3i8r h ALA 662 N 0.95 0.30 -0.13 3.45 0.00 -0.83 -2.04 119.26 120.95 3i8r h ALA 662 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3i8r h ALA 662 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3i8r h ALA 662 CO 0.02 -0.22 0.01 0.28 0.00 0.00 0.00 179.25 179.34 3i8r h VAL 663 N 0.31 1.23 -0.85 0.00 2.07 -0.64 -2.43 116.25 115.95 3i8r h VAL 663 Ca 0.09 -0.75 0.21 0.00 0.82 0.00 0.00 66.70 67.07 3i8r h VAL 663 Cb -0.03 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 31.10 3i8r h VAL 663 CO -0.02 0.22 0.28 -0.09 0.02 0.00 0.00 177.57 177.98 3i8r h ARG 664 N -0.03 0.29 0.00 1.57 2.43 -1.02 -1.56 114.38 116.06 3i8r h ARG 664 Ca 0.04 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3i8r h ARG 664 Cb 0.32 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i8r h ARG 664 CO 0.00 0.19 -0.11 0.00 -1.51 0.00 0.00 179.97 178.54 3i8r h ALA 665 N 1.71 1.74 0.00 2.80 0.00 -1.00 -0.25 119.26 124.26 3i8r h ALA 665 Ca 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3i8r h ALA 665 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i8r h ALA 665 CO -0.57 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.69 3i8r n SER 666 N -4.30 0.00 0.00 0.00 3.41 -0.60 -4.92 113.62 107.21 3i8r n SER 666 Ca -0.03 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3i8r n SER 666 Cb 0.19 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3i8r n SER 666 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8r n GLY 667 N 0.89 0.61 3.74 5.00 0.00 -0.11 -5.06 105.19 110.27 3i8r n GLY 667 Ca 0.07 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3i8r n GLY 667 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i8r s PHE 668 N -2.00 3.51 -1.42 1.61 5.36 -1.19 -4.36 117.98 119.48 3i8r s PHE 668 Ca 0.00 0.69 -0.07 0.00 -0.96 0.00 0.00 56.93 56.59 3i8r s PHE 668 Cb 0.00 -2.36 0.04 0.00 -0.34 0.00 0.00 43.02 40.36 3i8r s PHE 668 CO 0.00 0.29 0.57 0.00 -1.46 0.00 0.00 175.22 174.62 3i8r n ALA 669 N 3.33 -1.03 -0.07 11.12 0.00 -1.26 -4.27 120.51 128.33 3i8r n ALA 669 Ca -0.12 0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 3i8r n ALA 669 Cb 0.52 -3.42 -0.01 0.00 0.00 0.00 0.00 19.45 16.54 3i8r n ALA 669 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i8r h GLU 670 N -1.24 0.08 -0.12 0.00 5.08 -1.90 -1.89 114.58 114.59 3i8r h GLU 670 Ca -0.48 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3i8r h GLU 670 Cb 1.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3i8r h GLU 670 CO 0.55 0.05 -0.04 0.66 -1.00 0.00 0.00 179.01 179.24 3i8r h SER 671 N 0.08 0.16 0.08 1.42 4.64 -1.96 -2.28 113.55 115.69 3i8r h SER 671 Ca 0.13 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 3i8r h SER 671 Cb 0.17 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3i8r h SER 671 CO -0.22 0.24 -0.57 0.25 -0.87 0.00 0.00 176.83 175.65 3i8r h LEU 672 N 0.18 0.58 -5.68 5.97 5.85 -1.74 -3.35 115.31 117.10 3i8r h LEU 672 Ca 0.04 -0.32 -0.73 0.00 0.84 0.00 0.00 57.88 57.71 3i8r h LEU 672 Cb 0.20 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 40.96 3i8r h LEU 672 CO 0.01 1.03 2.60 0.18 -0.34 0.00 0.00 178.44 181.91 3i8r n LEU 673 N -3.94 7.91 -4.68 2.25 4.77 -0.86 -4.93 117.00 117.53 3i8r n LEU 673 Ca -0.03 -4.75 -0.42 0.00 -0.03 0.00 0.00 56.01 50.77 3i8r n LEU 673 Cb 0.62 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 3i8r n LEU 673 CO 0.47 1.93 1.28 -0.62 -1.33 0.00 0.00 177.39 179.12 3i8r s ASP 674 N 0.80 6.71 0.39 -1.43 -1.08 -1.26 -4.88 116.67 115.92 3i8r s ASP 674 Ca 0.54 2.26 0.28 0.00 -0.52 0.00 0.00 52.55 55.11 3i8r s ASP 674 Cb 0.17 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 40.35 3i8r s ASP 674 CO -0.07 -0.85 1.84 1.55 0.52 0.00 0.00 175.17 178.16 3i8r h PRO 675 N 8.64 0.00 0.00 4.34 0.13 -1.93 -2.35 132.00 140.84 3i8r h PRO 675 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3i8r h PRO 675 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i8r h PRO 675 CO 0.93 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.67 3i8r h ALA 676 N 2.12 1.50 0.00 -0.56 0.00 -1.96 -2.15 119.26 118.21 3i8r h ALA 676 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i8r h ALA 676 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i8r h ALA 676 CO 0.00 0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 3i8r h LEU 677 N 0.00 0.00 -9.60 0.00 3.38 -1.81 -3.45 115.31 103.83 3i8r h LEU 677 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3i8r h LEU 677 Cb 0.09 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.92 3i8r h LEU 677 CO 0.00 0.00 0.62 0.59 0.09 0.00 0.00 178.44 179.75 3i8r n ASN 678 N -2.84 2.80 -0.00 -0.43 5.03 -0.81 -4.89 115.26 114.12 3i8r n ASN 678 Ca -0.00 1.14 0.04 0.00 0.87 0.00 0.00 54.58 56.63 3i8r n ASN 678 Cb 0.22 -1.44 -0.05 0.00 -1.02 0.00 0.00 39.78 37.49 3i8r n ASN 678 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i8r n ARG 679 N 1.99 1.77 -0.12 3.52 5.12 -1.26 -4.75 116.66 122.93 3i8r n ARG 679 Ca 0.11 -0.05 -0.09 0.00 -1.93 0.00 0.00 57.85 55.89 3i8r n ARG 679 Cb 0.32 -1.07 -0.01 0.00 -1.16 0.00 0.00 32.46 30.54 3i8r n ARG 679 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8r h ALA 680 N 0.84 0.48 -0.42 7.54 0.00 -1.90 0.43 119.26 126.22 3i8r h ALA 680 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3i8r h ALA 680 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i8r h ALA 680 CO 0.00 0.10 -0.28 0.93 0.00 0.00 0.00 179.25 180.00 3i8r h GLU 681 N 0.44 0.91 -0.47 0.00 4.39 -1.97 -1.99 114.58 115.88 3i8r h GLU 681 Ca 0.12 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 3i8r h GLU 681 Cb 0.22 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3i8r h GLU 681 CO -0.01 1.07 0.28 0.28 -1.16 0.00 0.00 179.01 179.47 3i8r h VAL 682 N 0.77 1.15 -0.31 3.13 2.07 -1.77 -2.01 116.25 119.29 3i8r h VAL 682 Ca 0.09 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3i8r h VAL 682 Cb 0.85 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3i8r h VAL 682 CO 0.07 0.16 0.04 -0.07 0.02 0.00 0.00 177.57 177.79 3i8r h LEU 683 N 0.62 -0.03 -0.91 2.57 3.38 -0.71 0.44 115.31 120.68 3i8r h LEU 683 Ca 0.17 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.29 3i8r h LEU 683 Cb 0.01 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3i8r h LEU 683 CO -0.03 0.02 0.55 0.00 0.09 0.00 0.00 178.44 179.07 3i8r h ALA 684 N 1.24 1.31 -0.49 1.53 0.00 -1.17 -0.01 119.26 121.68 3i8r h ALA 684 Ca 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i8r h ALA 684 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i8r h ALA 684 CO -0.21 0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.40 3i8r h ARG 685 N 0.93 0.76 -0.74 0.00 3.08 -0.72 0.05 114.38 117.74 3i8r h ARG 685 Ca 0.43 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3i8r h ARG 685 Cb 0.36 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3i8r h ARG 685 CO -0.24 0.72 0.36 -0.44 -1.07 0.00 0.00 179.97 179.30 3i8r h ASP 686 N 0.66 0.94 -0.41 7.04 3.45 -0.38 -1.31 116.42 126.41 3i8r h ASP 686 Ca 0.16 -0.10 -0.11 0.00 0.43 0.00 0.00 57.03 57.41 3i8r h ASP 686 Cb 0.27 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 3i8r h ASP 686 CO -0.00 0.79 -0.14 -0.07 -1.57 0.00 0.00 179.24 178.25 3i8r h LEU 687 N 1.04 0.89 -0.70 1.55 3.38 -0.62 0.16 115.31 121.00 3i8r h LEU 687 Ca 0.26 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3i8r h LEU 687 Cb 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3i8r h LEU 687 CO -0.03 1.03 0.43 0.44 0.09 0.00 0.00 178.44 180.40 3i8r h ASP 688 N 0.79 0.71 -0.06 -0.43 3.32 -0.64 0.69 116.42 120.79 3i8r h ASP 688 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3i8r h ASP 688 Cb 0.66 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3i8r h ASP 688 CO 0.05 0.49 -0.05 0.11 -1.72 0.00 0.00 179.24 178.11 3i8r h LYS 689 N 0.84 0.15 -0.49 3.56 1.57 -0.52 0.94 116.57 122.62 3i8r h LYS 689 Ca 0.29 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 3i8r h LYS 689 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 3i8r h LYS 689 CO -0.12 0.58 0.24 -0.07 -0.57 0.00 0.00 179.45 179.51 3i8r h LEU 690 N -0.28 0.33 0.00 2.94 3.38 -0.52 -2.66 115.31 118.50 3i8r h LEU 690 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i8r h LEU 690 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3i8r h LEU 690 CO 0.01 0.23 -0.05 0.59 0.09 0.00 0.00 178.44 179.32 3i8r n ASN 691 N -4.91 0.67 -1.69 -0.43 4.13 0.22 -4.95 115.26 108.30 3i8r n ASN 691 Ca 0.04 0.52 -0.19 0.00 1.68 0.00 0.00 54.58 56.63 3i8r n ASN 691 Cb 0.14 -0.67 -0.06 0.00 -1.54 0.00 0.00 39.78 37.65 3i8r n ASN 691 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i8r n GLY 692 N 1.34 1.19 3.54 7.41 0.00 0.30 -4.95 105.19 114.02 3i8r n GLY 692 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3i8r n GLY 692 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8r s SER 693 N -2.60 -0.32 0.00 1.61 0.15 -1.03 -5.02 113.70 106.49 3i8r s SER 693 Ca 0.00 0.07 0.25 0.00 0.70 0.00 0.00 55.95 56.97 3i8r s SER 693 Cb 0.00 0.32 1.11 0.00 -1.71 0.00 0.00 66.02 65.74 3i8r s SER 693 CO 0.00 -0.49 1.81 -1.54 1.20 0.00 0.00 173.24 174.22 3i8r n SER 694 N -0.04 0.00 0.03 5.45 3.41 -1.26 -4.37 113.62 116.84 3i8r n SER 694 Ca -0.07 0.38 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 3i8r n SER 694 Cb 0.60 -0.46 0.38 0.00 -0.26 0.00 0.00 64.21 64.47 3i8r n SER 694 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3i8r n GLU 695 N -1.46 0.05 0.27 4.33 0.28 -1.26 -2.05 120.64 120.80 3i8r n GLU 695 Ca 0.07 0.27 0.18 0.00 -0.16 0.00 0.00 57.16 57.53 3i8r n GLU 695 Cb 0.27 -1.60 0.89 0.00 1.43 0.00 0.00 31.44 32.43 3i8r n GLU 695 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 177.13 177.08 3i8r h TRP 696 N 0.00 0.00 0.00 -1.84 5.08 -1.95 -0.80 115.95 116.43 3i8r h TRP 696 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 3i8r h TRP 696 Cb 0.31 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.47 3i8r h TRP 696 CO 0.00 0.00 -0.01 0.00 -1.28 0.00 0.00 178.44 177.15 3i8r h ARG 697 N 0.00 0.00 -0.02 0.12 3.08 -1.78 -1.57 114.38 114.21 3i8r h ARG 697 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i8r h ARG 697 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3i8r h ARG 697 CO -0.00 0.01 0.00 0.43 -1.07 0.00 0.00 179.97 179.34 3i8r n SER 698 N -3.14 1.85 0.00 7.04 7.64 -0.31 -4.23 113.62 122.47 3i8r n SER 698 Ca -0.02 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.24 3i8r n SER 698 Cb 0.17 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3i8r n SER 698 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i8r n ARG 699 N 0.45 1.09 -2.34 1.43 1.74 -0.68 -5.08 116.66 113.29 3i8r n ARG 699 Ca 0.18 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 3i8r n ARG 699 Cb 0.41 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 3i8r n ARG 699 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3i8r s ILE 700 N -1.64 3.21 -0.01 0.55 2.07 -0.71 -5.03 121.20 119.64 3i8r s ILE 700 Ca 0.00 1.13 -0.07 0.00 -1.41 0.00 0.00 60.65 60.30 3i8r s ILE 700 Cb 0.00 -3.68 0.00 0.00 0.13 0.00 0.00 42.46 38.91 3i8r s ILE 700 CO 0.00 0.20 0.14 0.42 -1.91 0.00 0.00 174.94 173.79 3i8r s THR 701 N -1.28 0.07 0.23 4.00 -4.23 -1.26 -5.05 115.64 108.12 3i8r s THR 701 Ca 0.51 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 3i8r s THR 701 Cb -0.33 -0.38 -0.09 0.00 1.34 0.00 0.00 72.50 73.04 3i8r s THR 701 CO 0.42 -0.30 1.11 0.00 -0.54 0.00 0.00 174.62 175.31 3i8r s ALA 702 N -1.07 3.40 0.78 3.99 0.00 -1.26 -4.95 121.76 122.64 3i8r s ALA 702 Ca -0.12 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3i8r s ALA 702 Cb -0.06 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.77 3i8r s ALA 702 CO 0.01 -0.20 1.09 -1.54 0.00 0.00 0.00 175.76 175.12 3i8r s SER 703 N -0.50 4.70 0.37 0.00 1.04 -1.26 -4.72 113.70 113.32 3i8r s SER 703 Ca 0.47 1.34 0.08 0.00 0.48 0.00 0.00 55.95 58.32 3i8r s SER 703 Cb -0.31 -2.10 0.81 0.00 0.10 0.00 0.00 66.02 64.52 3i8r s SER 703 CO 0.38 -1.84 1.92 -0.65 0.98 0.00 0.00 173.24 174.03 3i8r h PRO 704 N -1.00 0.67 -0.89 4.02 0.11 -1.97 -0.04 132.00 132.90 3i8r h PRO 704 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3i8r h PRO 704 Cb 1.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3i8r h PRO 704 CO 0.59 0.44 0.48 0.00 -0.21 0.00 0.00 178.00 179.30 3i8r h ALA 705 N 1.61 1.14 -0.25 -0.75 0.00 -1.92 -2.35 119.26 116.74 3i8r h ALA 705 Ca 0.37 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 3i8r h ALA 705 Cb 0.52 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i8r h ALA 705 CO -0.15 0.66 -0.60 0.28 0.00 0.00 0.00 179.25 179.45 3i8r h VAL 706 N 1.25 1.28 -0.57 0.00 2.07 -1.52 -0.70 116.25 118.07 3i8r h VAL 706 Ca 0.31 -1.79 0.11 0.00 0.82 0.00 0.00 66.70 66.15 3i8r h VAL 706 Cb 0.05 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 3i8r h VAL 706 CO -0.05 0.58 0.07 0.40 0.02 0.00 0.00 177.57 178.59 3i8r h ILE 707 N 0.63 0.60 -0.39 4.57 2.04 -0.89 0.18 117.51 124.24 3i8r h ILE 707 Ca -0.00 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3i8r h ILE 707 Cb 1.21 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3i8r h ILE 707 CO 0.13 0.03 -0.27 0.44 0.00 0.00 0.00 178.15 178.49 3i8r h ASP 708 N 0.19 0.86 -0.34 1.72 3.45 -1.25 -0.63 116.42 120.41 3i8r h ASP 708 Ca 0.30 -0.33 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 3i8r h ASP 708 Cb 0.45 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3i8r h ASP 708 CO -0.43 1.07 0.04 0.22 -1.57 0.00 0.00 179.24 178.58 3i8r h TYR 709 N 0.71 0.61 -0.74 4.55 3.20 -0.27 -2.12 116.97 122.92 3i8r h TYR 709 Ca 0.09 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3i8r h TYR 709 Cb 0.81 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 3i8r h TYR 709 CO 0.05 0.65 0.26 0.28 -1.64 0.00 0.00 178.16 177.75 3i8r h VAL 710 N 0.40 1.26 -0.71 1.81 2.07 -0.63 -1.36 116.25 119.09 3i8r h VAL 710 Ca 0.10 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3i8r h VAL 710 Cb 0.38 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3i8r h VAL 710 CO 0.01 0.34 0.33 0.78 0.02 0.00 0.00 177.57 179.05 3i8r h ASN 711 N 1.09 0.93 -0.51 0.57 2.35 -0.94 0.12 115.58 119.19 3i8r h ASN 711 Ca 0.24 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3i8r h ASN 711 Cb 0.26 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3i8r h ASN 711 CO -0.01 0.81 0.23 -0.09 -1.65 0.00 0.00 177.43 176.71 3i8r h ARG 712 N 0.99 0.75 -0.34 0.81 9.65 -1.10 -1.11 114.38 124.02 3i8r h ARG 712 Ca 0.24 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3i8r h ARG 712 Cb 0.13 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3i8r h ARG 712 CO -0.03 0.65 0.05 -0.07 2.80 0.00 0.00 179.97 183.36 3i8r h LEU 713 N 0.69 0.48 -0.93 3.80 3.38 -0.69 -0.68 115.31 121.35 3i8r h LEU 713 Ca 0.17 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3i8r h LEU 713 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3i8r h LEU 713 CO -0.02 0.51 -0.37 -0.33 0.09 0.00 0.00 178.44 178.32 3i8r h GLU 714 N 0.50 0.32 -0.04 1.13 5.08 -0.51 -0.38 114.58 120.68 3i8r h GLU 714 Ca 0.11 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i8r h GLU 714 Cb 0.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3i8r h GLU 714 CO 0.00 0.65 0.01 0.93 -1.00 0.00 0.00 179.01 179.60 3i8r h GLU 715 N 0.27 0.05 -0.86 2.33 5.08 -0.65 -0.63 114.58 120.18 3i8r h GLU 715 Ca 0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3i8r h GLU 715 Cb 0.78 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 3i8r h GLU 715 CO 0.06 0.20 0.55 0.82 -1.00 0.00 0.00 179.01 179.65 3i8r h ILE 716 N -0.11 1.14 -0.05 3.13 2.04 -0.90 0.13 117.51 122.89 3i8r h ILE 716 Ca 0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3i8r h ILE 716 Cb 0.17 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3i8r h ILE 716 CO -0.00 0.20 0.03 -0.09 0.00 0.00 0.00 178.15 178.29 3i8r h ARG 717 N 1.07 0.06 -0.13 2.37 2.43 -0.82 -0.08 114.38 119.29 3i8r h ARG 717 Ca 0.34 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.39 3i8r h ARG 717 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3i8r h ARG 717 CO -0.11 0.04 -0.43 -0.44 -1.51 0.00 0.00 179.97 177.52 3i8r h ASP 718 N 0.06 0.31 0.51 -3.80 3.32 -0.66 -2.79 116.42 113.38 3i8r h ASP 718 Ca 0.02 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3i8r h ASP 718 Cb -0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3i8r h ASP 718 CO -0.01 0.70 -0.40 0.59 -1.72 0.00 0.00 179.24 178.41 3i8r n ASN 719 N -4.01 0.51 -3.31 6.45 3.02 0.40 -4.95 115.26 113.38 3i8r n ASN 719 Ca -0.02 -0.27 -0.21 0.00 -0.03 0.00 0.00 54.58 54.05 3i8r n ASN 719 Cb 0.50 0.14 0.07 0.00 -0.61 0.00 0.00 39.78 39.89 3i8r n ASN 719 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i8r n VAL 720 N -1.37 -2.87 -2.50 2.41 0.31 -0.13 -4.86 118.33 109.32 3i8r n VAL 720 Ca 0.07 -0.02 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 3i8r n VAL 720 Cb 0.33 -3.82 -0.02 0.00 -0.91 0.00 0.00 33.84 29.42 3i8r n VAL 720 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8r s ASP 721 N -3.34 6.47 0.12 4.52 -1.08 -0.69 -4.90 116.67 117.78 3i8r s ASP 721 Ca 0.51 -1.91 -0.20 0.00 -0.52 0.00 0.00 52.55 50.43 3i8r s ASP 721 Cb -0.22 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.61 3i8r s ASP 721 CO 0.66 -1.54 1.72 1.23 0.52 0.00 0.00 175.17 177.76 3i8r h GLY 722 N 13.36 0.14 1.51 2.66 0.00 -1.89 -0.63 103.07 118.22 3i8r h GLY 722 Ca 0.32 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 3i8r h GLY 722 CO 1.42 -0.05 -0.24 -2.55 0.00 0.00 0.00 176.54 175.12 3i8r h PRO 723 N 0.03 0.57 -0.46 4.80 0.11 -1.91 -0.13 132.00 135.01 3i8r h PRO 723 Ca 0.08 -0.22 -0.11 0.00 0.11 0.00 0.00 66.00 65.86 3i8r h PRO 723 Cb 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3i8r h PRO 723 CO -0.15 0.76 -0.16 0.00 -0.21 0.00 0.00 178.00 178.24 3i8r h ALA 724 N 1.25 0.85 -0.31 -0.75 0.00 -1.84 -2.11 119.26 116.34 3i8r h ALA 724 Ca 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3i8r h ALA 724 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i8r h ALA 724 CO 0.05 0.64 0.03 1.25 0.00 0.00 0.00 179.25 181.22 3i8r h LEU 725 N 0.78 0.51 -1.36 0.00 7.12 -0.66 -2.48 115.31 119.23 3i8r h LEU 725 Ca 0.12 -0.28 0.02 0.00 0.13 0.00 0.00 57.88 57.87 3i8r h LEU 725 Cb 0.69 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 3i8r h LEU 725 CO 0.05 0.66 0.45 0.58 -0.13 0.00 0.00 178.44 180.05 3i8r h VAL 726 N 0.34 1.12 -0.19 1.05 2.07 -0.70 0.39 116.25 120.34 3i8r h VAL 726 Ca 0.09 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3i8r h VAL 726 Cb 0.38 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3i8r h VAL 726 CO 0.01 0.16 -0.16 0.00 0.02 0.00 0.00 177.57 177.60 3i8r h ALA 727 N 1.59 -0.04 -0.43 1.67 0.00 -0.96 -0.57 119.26 120.53 3i8r h ALA 727 Ca 0.27 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3i8r h ALA 727 Cb 0.01 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i8r h ALA 727 CO -0.07 -0.59 -0.06 0.45 0.00 0.00 0.00 179.25 178.97 3i8r h HIS 728 N -0.17 0.80 -0.48 0.00 -0.00 -0.82 -2.02 115.15 112.46 3i8r h HIS 728 Ca 0.11 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3i8r h HIS 728 Cb 0.34 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3i8r h HIS 728 CO -0.30 0.78 0.17 1.25 -0.00 0.00 0.00 177.93 179.83 3i8r h HIS 729 N 0.68 0.75 0.09 2.45 6.17 -0.56 -2.30 115.15 122.43 3i8r h HIS 729 Ca 0.13 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.14 3i8r h HIS 729 Cb 0.51 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.22 3i8r h HIS 729 CO 0.02 0.64 -0.04 -0.92 0.71 0.00 0.00 177.93 178.34 3i8r h TYR 730 N 0.63 -0.12 -0.45 5.26 3.20 -0.91 0.14 116.97 124.73 3i8r h TYR 730 Ca 0.16 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.08 3i8r h TYR 730 Cb 0.23 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3i8r h TYR 730 CO 0.01 0.11 0.18 0.28 -1.64 0.00 0.00 178.16 177.10 3i8r h VAL 731 N -0.33 0.89 0.00 1.81 2.07 -1.33 -1.41 116.25 117.95 3i8r h VAL 731 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3i8r h VAL 731 Cb 0.28 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3i8r h VAL 731 CO 0.02 0.07 -0.04 0.03 0.02 0.00 0.00 177.57 177.66 3i8r h ARG 732 N 0.36 0.00 -0.22 1.57 2.47 -1.40 -3.35 114.38 113.82 3i8r h ARG 732 Ca 0.21 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.78 3i8r h ARG 732 Cb 0.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3i8r h ARG 732 CO -0.19 0.00 -0.49 1.88 0.56 0.00 0.00 179.97 181.73 3i8r h TYR 733 N -0.91 0.73 -0.06 3.04 0.05 -0.77 -1.40 116.97 117.66 3i8r h TYR 733 Ca 0.00 -0.24 -0.12 0.00 0.05 0.00 0.00 58.73 58.43 3i8r h TYR 733 Cb 0.04 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3i8r h TYR 733 CO -0.02 0.96 -0.50 1.25 -1.05 0.00 0.00 178.16 178.81 3i8r h LEU 734 N 0.47 0.15 -0.32 3.88 5.85 -1.33 -0.83 115.31 123.18 3i8r h LEU 734 Ca 0.02 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 3i8r h LEU 734 Cb 1.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3i8r h LEU 734 CO 0.09 0.62 -0.18 1.23 -0.34 0.00 0.00 178.44 179.87 3i8r h GLY 735 N 1.41 0.74 0.66 3.75 0.00 -1.63 -2.10 103.07 105.89 3i8r h GLY 735 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 47.33 46.73 3i8r h GLY 735 CO 0.07 0.61 0.50 -0.55 0.00 0.00 0.00 176.54 177.18 3i8r h ASP 736 N 0.44 0.76 0.90 0.19 3.45 -0.57 0.12 116.42 121.71 3i8r h ASP 736 Ca 0.07 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 3i8r h ASP 736 Cb 0.71 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3i8r h ASP 736 CO 0.05 0.47 -0.11 -0.07 -1.57 0.00 0.00 179.24 178.02 3i8r h LEU 737 N 0.89 0.00 0.00 1.55 3.38 -1.10 -2.75 115.31 117.29 3i8r h LEU 737 Ca 0.38 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.06 3i8r h LEU 737 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3i8r h LEU 737 CO -0.20 0.11 -1.96 -1.20 0.09 0.00 0.00 178.44 175.28 3i8r n SER 738 N -3.27 1.22 -0.00 -0.43 7.64 -0.52 -4.73 113.62 113.53 3i8r n SER 738 Ca 0.00 0.21 0.07 0.00 1.01 0.00 0.00 58.87 60.16 3i8r n SER 738 Cb 0.35 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 3i8r n SER 738 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8r n GLY 739 N 1.93 -0.44 0.37 0.23 0.00 0.31 -4.75 105.19 102.83 3i8r n GLY 739 Ca -0.34 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.44 3i8r n GLY 739 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i8r h GLY 740 N 2.95 1.29 2.00 -0.02 0.00 -1.21 -1.74 103.07 106.34 3i8r h GLY 740 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3i8r h GLY 740 CO 0.00 0.07 -0.13 0.06 0.00 0.00 0.00 176.54 176.54 3i8r h GLN 741 N 0.71 0.00 -0.16 4.80 -0.00 -1.86 -1.56 115.11 117.04 3i8r h GLN 741 Ca 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 59.03 3i8r h GLN 741 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.23 3i8r h GLN 741 CO -0.23 0.13 -0.27 0.28 -0.00 0.00 0.00 178.83 178.74 3i8r h VAL 742 N 0.00 1.35 -0.33 1.86 2.07 -1.66 -1.13 116.25 118.42 3i8r h VAL 742 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3i8r h VAL 742 Cb 0.64 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3i8r h VAL 742 CO 0.02 0.45 0.19 0.40 0.02 0.00 0.00 177.57 178.65 3i8r h ILE 743 N 0.09 1.13 -0.43 4.57 1.08 -1.23 -1.36 117.51 121.36 3i8r h ILE 743 Ca 0.01 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3i8r h ILE 743 Cb 0.86 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3i8r h ILE 743 CO 0.06 0.13 0.25 0.00 -0.69 0.00 0.00 178.15 177.90 3i8r h ALA 744 N 1.06 0.54 -0.78 1.87 0.00 -1.29 -1.12 119.26 119.55 3i8r h ALA 744 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i8r h ALA 744 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3i8r h ALA 744 CO -0.02 -0.07 0.37 -0.09 0.00 0.00 0.00 179.25 179.44 3i8r h ARG 745 N 0.51 1.11 -0.26 0.00 9.65 -0.94 -1.27 114.38 123.18 3i8r h ARG 745 Ca 0.17 -0.16 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 3i8r h ARG 745 Cb 0.01 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 3i8r h ARG 745 CO -0.08 0.85 -0.21 0.52 2.80 0.00 0.00 179.97 183.86 3i8r h MET 746 N 1.10 0.47 -0.38 0.20 2.86 -0.84 0.19 114.93 118.53 3i8r h MET 746 Ca 0.27 -0.16 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 3i8r h MET 746 Cb 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3i8r h MET 746 CO -0.03 0.66 -0.36 0.52 1.06 0.00 0.00 176.91 178.76 3i8r h MET 747 N 0.42 0.88 -0.00 1.72 2.86 -0.57 0.19 114.93 120.43 3i8r h MET 747 Ca 0.07 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3i8r h MET 747 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3i8r h MET 747 CO 0.04 1.09 0.00 1.96 1.06 0.00 0.00 176.91 181.06 3i8r h GLN 748 N 0.73 0.01 0.56 1.72 4.20 -0.90 -1.94 115.11 119.48 3i8r h GLN 748 Ca 0.07 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3i8r h GLN 748 Cb 0.93 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.71 3i8r h GLN 748 CO 0.09 0.20 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.09 3i8r h ARG 749 N -0.19 -0.73 0.05 1.46 2.43 -0.57 -0.15 114.38 116.68 3i8r h ARG 749 Ca 0.00 0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.98 3i8r h ARG 749 Cb 0.20 0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3i8r h ARG 749 CO -0.00 -0.45 -1.06 0.45 -1.51 0.00 0.00 179.97 177.40 3i8r h HIS 750 N -0.84 0.61 0.00 2.20 3.86 -1.07 -3.39 115.15 116.52 3i8r h HIS 750 Ca -0.08 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3i8r h HIS 750 Cb 0.61 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3i8r h HIS 750 CO -0.02 1.22 0.00 0.66 0.86 0.00 0.00 177.93 180.65 3i8r n TYR 751 N -3.69 0.00 -1.50 2.45 0.53 -0.77 -5.00 117.16 109.17 3i8r n TYR 751 Ca -0.08 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.64 3i8r n TYR 751 Cb 0.90 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 39.15 3i8r n TYR 751 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i8r n GLY 752 N 0.27 1.54 3.62 2.72 0.00 -0.07 -4.88 105.19 108.39 3i8r n GLY 752 Ca 0.00 -0.25 -0.49 0.00 0.00 0.00 0.00 46.02 45.28 3i8r n GLY 752 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8r n VAL 753 N -2.60 0.24 -2.31 1.61 0.31 -1.05 -4.93 118.33 109.60 3i8r n VAL 753 Ca -0.16 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 3i8r n VAL 753 Cb 0.53 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 3i8r n VAL 753 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8r s ASP 754 N 0.51 6.74 0.39 4.52 2.15 -1.26 -4.36 116.67 125.36 3i8r s ASP 754 Ca 0.79 2.38 0.14 0.00 0.43 0.00 0.00 52.55 56.29 3i8r s ASP 754 Cb -0.83 -2.62 0.97 0.00 -0.30 0.00 0.00 42.92 40.14 3i8r s ASP 754 CO 0.45 -0.52 1.86 1.55 -0.17 0.00 0.00 175.17 178.35 3i8r h PRO 755 N 3.03 0.51 0.00 4.34 0.13 -1.97 -0.19 132.00 137.85 3i8r h PRO 755 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3i8r h PRO 755 Cb 1.23 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i8r h PRO 755 CO 0.64 0.34 0.00 0.39 -0.23 0.00 0.00 178.00 179.14 3i8r n GLU 756 N -4.54 0.02 -0.35 0.86 -0.58 -1.26 -1.38 120.64 113.42 3i8r n GLU 756 Ca 0.18 0.31 0.10 0.00 -0.42 0.00 0.00 57.16 57.34 3i8r n GLU 756 Cb 0.59 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 30.25 3i8r n GLU 756 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8r n ALA 757 N -1.46 2.37 -1.52 0.62 0.00 -0.08 -4.29 120.51 116.15 3i8r n ALA 757 Ca 0.03 -1.29 0.07 0.00 0.00 0.00 0.00 53.44 52.24 3i8r n ALA 757 Cb 0.10 -0.83 0.16 0.00 0.00 0.00 0.00 19.45 18.88 3i8r n ALA 757 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8r n LEU 758 N 1.40 2.29 0.06 0.00 4.77 -0.48 -4.79 117.00 120.25 3i8r n LEU 758 Ca 0.22 -3.31 0.20 0.00 -0.03 0.00 0.00 56.01 53.10 3i8r n LEU 758 Cb 0.60 -0.42 0.74 0.00 -2.33 0.00 0.00 43.42 42.00 3i8r n LEU 758 CO 0.15 1.03 1.18 1.23 -1.33 0.00 0.00 177.39 179.65 3i8r h GLY 759 N 0.60 0.00 0.33 -0.72 0.00 -1.75 -2.08 103.07 99.45 3i8r h GLY 759 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.51 3i8r h GLY 759 CO 0.01 0.00 0.59 -2.75 0.00 0.00 0.00 176.54 174.39 3i8r h PHE 760 N 0.00 0.60 -0.01 5.60 3.57 -1.87 -1.52 116.94 123.31 3i8r h PHE 760 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3i8r h PHE 760 Cb 0.97 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3i8r h PHE 760 CO 0.00 0.17 -0.11 0.66 -2.23 0.00 0.00 178.31 176.79 3i8r n TYR 761 N -4.53 0.00 -4.65 0.41 4.02 -0.78 -4.78 117.16 106.85 3i8r n TYR 761 Ca 0.19 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.75 3i8r n TYR 761 Cb 0.66 -0.06 -0.15 0.00 -0.02 0.00 0.00 39.34 39.78 3i8r n TYR 761 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3i8r s HIS 762 N -2.23 2.81 -0.48 -0.72 5.04 -0.57 -4.79 115.29 114.35 3i8r s HIS 762 Ca 0.32 -0.79 -0.11 0.00 -1.54 0.00 0.00 55.06 52.94 3i8r s HIS 762 Cb 0.20 -1.87 0.11 0.00 0.04 0.00 0.00 32.58 31.06 3i8r s HIS 762 CO 0.42 -0.31 0.37 -0.06 -2.34 0.00 0.00 174.74 172.81 3i8r s PHE 763 N 0.57 3.35 0.09 3.88 0.40 -1.26 -4.95 117.98 120.05 3i8r s PHE 763 Ca -0.08 -1.59 -0.31 0.00 -0.60 0.00 0.00 56.93 54.35 3i8r s PHE 763 Cb -0.16 -3.43 -0.09 0.00 0.51 0.00 0.00 43.02 39.86 3i8r s PHE 763 CO 0.03 -0.95 1.63 -2.00 0.70 0.00 0.00 175.22 174.63 3i8r s GLU 764 N 1.45 4.20 0.00 0.44 2.56 -1.26 -2.13 118.70 123.96 3i8r s GLU 764 Ca 0.04 2.33 0.00 0.00 0.00 0.00 0.00 54.97 57.34 3i8r s GLU 764 Cb -0.26 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.37 3i8r s GLU 764 CO 0.01 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 174.42 3i8r n GLY 765 N 3.93 2.81 3.56 -1.50 0.00 -1.26 -4.98 105.19 107.75 3i8r n GLY 765 Ca 0.15 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3i8r n GLY 765 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8r s ILE 766 N -1.96 3.11 0.14 -0.61 1.01 -0.91 -4.86 121.20 117.13 3i8r s ILE 766 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.29 3i8r s ILE 766 Cb 0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 3i8r s ILE 766 CO 0.00 -0.25 1.57 0.00 0.00 0.00 0.00 174.94 176.26 3i8r s ALA 767 N 12.83 3.74 -0.27 9.38 0.00 -1.26 -4.44 121.76 141.74 3i8r s ALA 767 Ca 0.88 1.31 -0.06 0.00 0.00 0.00 0.00 51.96 54.08 3i8r s ALA 767 Cb -0.13 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.37 3i8r s ALA 767 CO 0.12 -0.83 0.24 0.36 0.00 0.00 0.00 175.76 175.65 3i8r n LYS 768 N 4.33 -2.05 -0.32 0.00 -0.00 -1.26 -4.44 118.16 114.41 3i8r n LYS 768 Ca 0.14 1.87 -0.03 0.00 -0.00 0.00 0.00 58.31 60.29 3i8r n LYS 768 Cb 0.39 -4.32 0.12 0.00 -0.00 0.00 0.00 35.03 31.22 3i8r n LYS 768 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i8r h LEU 769 N 1.75 1.09 -0.66 -5.58 3.38 -1.99 0.10 115.31 113.40 3i8r h LEU 769 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3i8r h LEU 769 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3i8r h LEU 769 CO 0.11 0.85 0.24 0.50 0.09 0.00 0.00 178.44 180.23 3i8r h LYS 770 N 1.23 1.00 -0.21 1.13 1.63 -1.96 -0.45 116.57 118.94 3i8r h LYS 770 Ca 0.32 -0.19 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 3i8r h LYS 770 Cb -0.01 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 3i8r h LYS 770 CO -0.06 0.85 -0.43 -0.24 -3.45 0.00 0.00 179.45 176.12 3i8r h VAL 771 N 0.94 1.32 -0.03 2.00 3.04 -1.80 -1.60 116.25 120.12 3i8r h VAL 771 Ca 0.22 -1.66 0.03 0.00 -1.01 0.00 0.00 66.70 64.28 3i8r h VAL 771 Cb 0.24 1.83 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 3i8r h VAL 771 CO -0.01 0.52 -0.13 0.22 -1.01 0.00 0.00 177.57 177.15 3i8r h TYR 772 N 0.37 -0.34 -0.82 3.17 3.20 -0.44 -0.48 116.97 121.63 3i8r h TYR 772 Ca 0.01 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.09 3i8r h TYR 772 Cb 1.04 0.16 -0.13 0.00 1.54 0.00 0.00 36.73 39.34 3i8r h TYR 772 CO 0.09 -0.20 0.21 0.87 -1.64 0.00 0.00 178.16 177.49 3i8r h LYS 773 N -0.21 0.24 0.07 1.82 1.57 -1.10 0.43 116.57 119.39 3i8r h LYS 773 Ca 0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3i8r h LYS 773 Cb 0.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3i8r h LYS 773 CO -0.15 0.16 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.41 3i8r h ASP 774 N 0.25 -0.08 -0.85 0.86 3.32 -0.51 -0.84 116.42 118.58 3i8r h ASP 774 Ca 0.49 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.54 3i8r h ASP 774 Cb 0.91 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 3i8r h ASP 774 CO -0.58 0.01 0.53 -0.33 -1.72 0.00 0.00 179.24 177.14 3i8r h GLU 775 N -0.17 0.94 -0.53 3.56 5.08 -0.96 -0.81 114.58 121.70 3i8r h GLU 775 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3i8r h GLU 775 Cb 0.14 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3i8r h GLU 775 CO 0.02 0.62 0.24 -0.92 -1.00 0.00 0.00 179.01 177.96 3i8r h TYR 776 N 0.97 0.78 -0.61 4.33 5.03 0.17 0.11 116.97 127.75 3i8r h TYR 776 Ca 0.37 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.61 3i8r h TYR 776 Cb 0.16 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3i8r h TYR 776 CO -0.03 0.62 0.27 0.00 -1.32 0.00 0.00 178.16 177.70 3i8r h ARG 777 N 0.71 0.87 -0.16 1.82 3.08 -0.78 -2.08 114.38 117.84 3i8r h ARG 777 Ca 0.18 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3i8r h ARG 777 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3i8r h ARG 777 CO -0.02 0.69 -0.44 0.93 -1.07 0.00 0.00 179.97 180.05 3i8r h GLU 778 N 0.86 0.38 -0.24 0.04 4.39 -0.54 -0.52 114.58 118.94 3i8r h GLU 778 Ca 0.21 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3i8r h GLU 778 Cb 0.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3i8r h GLU 778 CO -0.02 0.75 0.15 0.87 -1.16 0.00 0.00 179.01 179.59 3i8r h LYS 779 N 0.31 0.30 -0.47 2.33 1.57 -0.32 -0.18 116.57 120.10 3i8r h LYS 779 Ca 0.02 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3i8r h LYS 779 Cb 0.91 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 3i8r h LYS 779 CO 0.08 0.20 0.15 -0.07 -0.57 0.00 0.00 179.45 179.23 3i8r h LEU 780 N 0.31 0.13 -1.63 2.94 3.38 -1.17 -2.10 115.31 117.16 3i8r h LEU 780 Ca 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3i8r h LEU 780 Cb -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i8r h LEU 780 CO -0.03 0.10 0.06 0.78 0.09 0.00 0.00 178.44 179.44 3i8r h ASN 781 N 0.31 0.27 -0.38 -0.43 2.35 -0.73 -2.90 115.58 114.07 3i8r h ASN 781 Ca 0.23 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3i8r h ASN 781 Cb 0.25 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3i8r h ASN 781 CO -0.25 0.27 0.00 0.59 -1.65 0.00 0.00 177.43 176.39 3i8r n ASN 782 N -4.42 2.85 -4.69 5.81 3.02 -0.11 -4.72 115.26 112.99 3i8r n ASN 782 Ca 0.00 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 3i8r n ASN 782 Cb 0.14 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3i8r n ASN 782 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3i8r s LEU 783 N -1.36 4.29 -0.39 3.41 2.96 -0.82 -4.96 118.68 121.81 3i8r s LEU 783 Ca 0.37 1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 55.66 3i8r s LEU 783 Cb 0.20 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.36 3i8r s LEU 783 CO 0.28 -0.46 1.09 -1.61 -1.32 0.00 0.00 176.35 174.34 3i8r s GLU 784 N 1.82 3.90 -0.02 1.98 2.02 -1.26 -5.00 118.70 122.14 3i8r s GLU 784 Ca 0.52 0.82 0.05 0.00 0.02 0.00 0.00 54.97 56.38 3i8r s GLU 784 Cb -0.21 -3.81 -0.01 0.00 0.10 0.00 0.00 34.13 30.19 3i8r s GLU 784 CO 0.22 -1.10 -0.17 -0.51 0.02 0.00 0.00 175.26 173.72 3i8r s LEU 785 N 3.97 2.00 0.81 1.80 1.43 -1.26 -5.09 118.68 122.35 3i8r s LEU 785 Ca 0.46 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 3i8r s LEU 785 Cb -0.10 -0.88 0.08 0.00 0.03 0.00 0.00 46.19 45.32 3i8r s LEU 785 CO 0.22 0.19 1.11 -0.94 0.23 0.00 0.00 176.35 177.17 3i8r s SER 786 N -0.30 4.37 0.23 2.29 1.04 -1.26 -4.80 113.70 115.27 3i8r s SER 786 Ca 0.04 1.18 -0.09 0.00 0.48 0.00 0.00 55.95 57.56 3i8r s SER 786 Cb -0.07 -1.87 0.36 0.00 0.10 0.00 0.00 66.02 64.54 3i8r s SER 786 CO -0.00 -2.03 1.65 0.44 0.98 0.00 0.00 173.24 174.27 3i8r h ASP 787 N -1.14 -0.33 -0.25 7.02 3.32 -2.00 0.62 116.42 123.66 3i8r h ASP 787 Ca -0.48 0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.63 3i8r h ASP 787 Cb 1.29 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 3i8r h ASP 787 CO 0.61 -0.15 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.39 3i8r h GLU 788 N 0.10 0.74 -0.46 3.56 3.07 -1.99 -0.74 114.58 118.87 3i8r h GLU 788 Ca 0.37 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 3i8r h GLU 788 Cb 0.62 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3i8r h GLU 788 CO -0.61 0.92 -0.25 1.96 -1.40 0.00 0.00 179.01 179.63 3i8r h GLN 789 N 0.64 0.98 -0.46 2.33 4.20 -1.81 0.03 115.11 121.01 3i8r h GLN 789 Ca 0.08 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.27 3i8r h GLN 789 Cb 0.77 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3i8r h GLN 789 CO 0.06 1.11 -0.04 -0.09 -0.67 0.00 0.00 178.83 179.20 3i8r h ARG 790 N 0.82 0.85 -0.80 1.46 2.43 -0.65 -1.35 114.38 117.14 3i8r h ARG 790 Ca 0.10 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 3i8r h ARG 790 Cb 0.84 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3i8r h ARG 790 CO 0.07 0.92 0.36 1.49 -1.51 0.00 0.00 179.97 181.30 3i8r h GLU 791 N 0.69 1.18 -0.44 0.20 4.57 -0.86 -1.39 114.58 118.53 3i8r h GLU 791 Ca 0.13 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 3i8r h GLU 791 Cb 0.57 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3i8r h GLU 791 CO 0.03 0.93 -0.25 1.25 -1.18 0.00 0.00 179.01 179.79 3i8r h HIS 792 N 1.15 1.09 -0.25 0.92 2.76 -0.63 -1.86 115.15 118.34 3i8r h HIS 792 Ca 0.27 -0.28 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 3i8r h HIS 792 Cb 0.16 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 3i8r h HIS 792 CO 0.02 1.09 -0.06 1.25 -1.30 0.00 0.00 177.93 178.94 3i8r h LEU 793 N 0.77 -0.22 -0.93 0.26 6.46 -1.08 -0.35 115.31 120.23 3i8r h LEU 793 Ca 0.09 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.84 3i8r h LEU 793 Cb 0.83 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 3i8r h LEU 793 CO 0.07 -0.08 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.60 3i8r h LEU 794 N 0.01 0.61 -0.84 2.25 3.38 -1.00 -0.24 115.31 119.48 3i8r h LEU 794 Ca 0.12 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3i8r h LEU 794 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i8r h LEU 794 CO -0.25 0.78 -0.10 0.11 0.09 0.00 0.00 178.44 179.07 3i8r h LYS 795 N 0.57 0.76 -0.34 1.13 1.57 -1.13 -2.81 116.57 116.32 3i8r h LYS 795 Ca 0.10 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 3i8r h LYS 795 Cb 0.57 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3i8r h LYS 795 CO 0.04 0.83 -0.23 1.49 -0.57 0.00 0.00 179.45 181.01 3i8r h GLU 796 N 0.69 0.67 -0.76 3.15 4.57 -0.20 -1.68 114.58 121.02 3i8r h GLU 796 Ca 0.12 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3i8r h GLU 796 Cb 0.57 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3i8r h GLU 796 CO 0.04 0.84 0.50 0.00 -1.18 0.00 0.00 179.01 179.21 3i8r h ALA 797 N 1.16 0.96 -0.55 2.92 0.00 -0.83 0.28 119.26 123.21 3i8r h ALA 797 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i8r h ALA 797 Cb 0.71 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3i8r h ALA 797 CO 0.05 0.39 0.35 1.15 0.00 0.00 0.00 179.25 181.20 3i8r h THR 798 N 1.03 1.12 -0.60 0.00 2.02 -1.27 -2.30 112.91 112.91 3i8r h THR 798 Ca 0.28 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3i8r h THR 798 Cb -0.11 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3i8r h THR 798 CO -0.06 0.13 0.28 0.44 0.37 0.00 0.00 175.52 176.68 3i8r h ASP 799 N 0.72 0.77 -0.74 4.18 3.32 -0.65 -2.43 116.42 121.59 3i8r h ASP 799 Ca 0.21 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3i8r h ASP 799 Cb -0.06 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3i8r h ASP 799 CO -0.06 0.66 0.29 0.00 -1.72 0.00 0.00 179.24 178.41 3i8r h ALA 800 N 1.46 1.09 -0.60 3.45 0.00 -0.24 0.96 119.26 125.38 3i8r h ALA 800 Ca 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3i8r h ALA 800 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3i8r h ALA 800 CO -0.03 0.64 0.12 0.74 0.00 0.00 0.00 179.25 180.73 3i8r h PHE 801 N 1.09 1.03 -0.27 0.00 -1.00 -1.16 -1.41 116.94 115.21 3i8r h PHE 801 Ca 0.25 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.91 3i8r h PHE 801 Cb 0.22 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 3i8r h PHE 801 CO 0.02 0.88 0.16 0.28 -1.61 0.00 0.00 178.31 178.04 3i8r h VAL 802 N 0.88 1.03 -0.72 -0.55 2.07 -0.82 0.07 116.25 118.21 3i8r h VAL 802 Ca 0.18 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3i8r h VAL 802 Cb 0.39 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3i8r h VAL 802 CO 0.01 0.06 0.34 -0.26 0.02 0.00 0.00 177.57 177.73 3i8r h PHE 803 N 0.33 0.59 -0.50 1.57 0.05 -0.52 -1.18 116.94 117.28 3i8r h PHE 803 Ca 0.11 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.82 3i8r h PHE 803 Cb -0.00 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.77 3i8r h PHE 803 CO -0.08 0.17 -0.11 -0.91 -0.18 0.00 0.00 178.31 177.21 3i8r h ASN 804 N 0.55 0.97 -0.94 2.17 2.35 -0.70 -1.52 115.58 118.45 3i8r h ASN 804 Ca 0.37 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3i8r h ASN 804 Cb 0.46 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 3i8r h ASN 804 CO -0.31 1.10 0.62 -0.74 -1.65 0.00 0.00 177.43 176.44 3i8r h HIS 805 N 0.82 1.17 -0.22 1.19 2.76 -0.67 -2.43 115.15 117.77 3i8r h HIS 805 Ca 0.13 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3i8r h HIS 805 Cb 0.67 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3i8r h HIS 805 CO 0.05 0.70 -0.11 1.96 -1.30 0.00 0.00 177.93 179.23 3i8r h GLN 806 N 1.23 0.35 -0.60 5.26 1.08 -0.67 -0.88 115.11 120.89 3i8r h GLN 806 Ca 0.36 -0.09 0.08 0.00 -1.45 0.00 0.00 58.65 57.55 3i8r h GLN 806 Cb -0.07 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.25 3i8r h GLN 806 CO -0.10 0.47 0.27 0.28 -0.95 0.00 0.00 178.83 178.80 3i8r h VAL 807 N 0.33 0.85 -0.08 -0.54 2.07 -0.79 0.54 116.25 118.63 3i8r h VAL 807 Ca 0.07 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 3i8r h VAL 807 Cb 0.40 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3i8r h VAL 807 CO 0.02 0.09 -0.69 -0.26 0.02 0.00 0.00 177.57 176.75 3i8r h PHE 808 N 0.49 0.51 -0.66 1.57 0.04 -1.06 -1.31 116.94 116.52 3i8r h PHE 808 Ca 0.29 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3i8r h PHE 808 Cb 0.29 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3i8r h PHE 808 CO -0.13 0.95 0.39 0.00 -0.60 0.00 0.00 178.31 178.92 3i8r h ALA 809 N 0.99 0.84 -0.51 2.45 0.00 -0.83 0.28 119.26 122.49 3i8r h ALA 809 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3i8r h ALA 809 Cb 1.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3i8r h ALA 809 CO 0.12 0.32 0.30 -0.44 0.00 0.00 0.00 179.25 179.54 3i8r h ASP 810 N 0.90 0.62 -0.43 0.00 5.19 -0.65 -2.47 116.42 119.58 3i8r h ASP 810 Ca 0.24 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 3i8r h ASP 810 Cb -0.02 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 3i8r h ASP 810 CO -0.04 0.51 0.18 -0.07 -3.12 0.00 0.00 179.24 176.70 3i8r h LEU 811 N 0.68 0.63 -0.22 1.55 3.38 -0.66 -2.38 115.31 118.30 3i8r h LEU 811 Ca 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i8r h LEU 811 Cb 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3i8r h LEU 811 CO -0.03 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.69 3i8r n GLY 812 N -1.10 -1.23 0.30 0.83 0.00 0.94 -5.07 105.19 99.86 3i8r n GLY 812 Ca 0.04 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3i8r n GLY 812 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90