#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw0 h LEU 608 N 0.00 0.87 -0.54 0.99 5.85 -1.86 -1.49 115.31 119.13 1iw0 h LEU 608 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1iw0 h LEU 608 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1iw0 h LEU 608 CO 0.00 0.57 0.35 0.00 -0.34 0.00 0.00 178.44 179.03 1iw0 h ALA 609 N 1.52 0.69 -0.32 1.25 0.00 -1.85 0.13 119.26 120.68 1iw0 h ALA 609 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1iw0 h ALA 609 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1iw0 h ALA 609 CO -0.12 0.11 0.01 0.28 0.00 0.00 0.00 179.25 179.52 1iw0 h VAL 610 N 0.72 1.26 -0.80 0.00 2.07 -1.84 -2.09 116.25 115.58 1iw0 h VAL 610 Ca 0.20 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1iw0 h VAL 610 Cb -0.07 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1iw0 h VAL 610 CO -0.05 0.31 0.37 -0.33 0.02 0.00 0.00 177.57 177.88 1iw0 h GLU 611 N 0.35 1.15 -0.08 1.57 5.08 -0.88 0.06 114.58 121.83 1iw0 h GLU 611 Ca 0.09 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1iw0 h GLU 611 Cb 0.43 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1iw0 h GLU 611 CO 0.02 0.90 0.03 -0.07 -1.00 0.00 0.00 179.01 178.89 1iw0 h LEU 612 N 1.14 0.05 -0.07 1.33 3.38 -0.69 0.44 115.31 120.88 1iw0 h LEU 612 Ca 0.27 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1iw0 h LEU 612 Cb 0.14 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1iw0 h LEU 612 CO -0.03 0.04 0.04 0.50 0.09 0.00 0.00 178.44 179.08 1iw0 h LYS 613 N 0.08 0.09 -0.49 1.13 3.64 -1.00 -2.24 116.57 117.79 1iw0 h LYS 613 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1iw0 h LYS 613 Cb 0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1iw0 h LYS 613 CO -0.03 0.11 0.31 0.37 -2.27 0.00 0.00 179.45 177.94 1iw0 h GLN 614 N 0.05 0.65 0.00 1.90 5.75 -0.91 -1.57 115.11 120.98 1iw0 h GLN 614 Ca 0.02 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1iw0 h GLN 614 Cb 0.04 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1iw0 h GLN 614 CO -0.00 0.45 -0.19 0.66 -2.65 0.00 0.00 178.83 177.10 1iw0 h SER 615 N 0.66 0.00 -0.38 -0.69 4.64 -0.82 -2.91 113.55 114.05 1iw0 h SER 615 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1iw0 h SER 615 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1iw0 h SER 615 CO -0.04 0.19 0.00 0.35 -0.87 0.00 0.00 176.83 176.46 1iw0 n THR 616 N -3.56 1.06 -0.29 2.95 -2.24 -0.85 -4.71 114.28 106.65 1iw0 n THR 616 Ca -0.01 -1.04 -0.05 0.00 -2.27 0.00 0.00 64.05 60.68 1iw0 n THR 616 Cb 0.33 0.46 0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1iw0 n THR 616 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iw0 h ALA 617 N 2.21 1.01 -0.58 6.98 0.00 -1.08 -0.50 119.26 127.30 1iw0 h ALA 617 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1iw0 h ALA 617 Cb 0.79 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1iw0 h ALA 617 CO 0.01 0.52 0.12 1.96 0.00 0.00 0.00 179.25 181.86 1iw0 h GLN 618 N 1.09 0.95 -0.27 0.00 7.50 -1.84 -1.72 115.11 120.82 1iw0 h GLN 618 Ca 0.28 -0.24 -0.09 0.00 0.50 0.00 0.00 58.65 59.10 1iw0 h GLN 618 Cb 0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1iw0 h GLN 618 CO -0.04 0.89 -0.20 0.00 -1.50 0.00 0.00 178.83 177.97 1iw0 h ALA 619 N 1.02 1.14 -0.49 3.87 0.00 -1.77 -1.64 119.26 121.39 1iw0 h ALA 619 Ca 0.18 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1iw0 h ALA 619 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1iw0 h ALA 619 CO 0.01 0.54 -0.15 1.25 0.00 0.00 0.00 179.25 180.90 1iw0 h HIS 620 N 0.45 1.05 -0.58 0.00 6.17 -0.64 0.50 115.15 122.10 1iw0 h HIS 620 Ca 0.07 -0.22 -0.02 0.00 0.71 0.00 0.00 60.37 60.91 1iw0 h HIS 620 Cb 0.61 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 30.25 1iw0 h HIS 620 CO 0.02 1.01 0.30 0.93 0.71 0.00 0.00 177.93 180.90 1iw0 h GLU 621 N 0.83 0.82 -0.87 5.26 4.39 -1.10 -0.70 114.58 123.20 1iw0 h GLU 621 Ca 0.12 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1iw0 h GLU 621 Cb 0.69 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1iw0 h GLU 621 CO 0.05 0.65 0.57 -0.22 -1.16 0.00 0.00 179.01 178.90 1iw0 h LYS 622 N 0.79 1.08 -0.61 2.33 3.64 -0.84 -1.54 116.57 121.42 1iw0 h LYS 622 Ca 0.20 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1iw0 h LYS 622 Cb 0.08 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1iw0 h LYS 622 CO -0.03 0.71 0.31 0.00 -2.27 0.00 0.00 179.45 178.18 1iw0 h ALA 623 N 1.36 0.78 0.00 5.00 0.00 -0.36 -1.62 119.26 124.42 1iw0 h ALA 623 Ca 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1iw0 h ALA 623 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1iw0 h ALA 623 CO -0.11 0.32 -0.07 0.93 0.00 0.00 0.00 179.25 180.32 1iw0 h GLU 624 N 0.83 0.00 -0.08 0.00 5.08 -0.31 -2.40 114.58 117.69 1iw0 h GLU 624 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1iw0 h GLU 624 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1iw0 h GLU 624 CO -0.03 0.07 0.00 0.72 -1.00 0.00 0.00 179.01 178.77 1iw0 n HIS 625 N -3.31 0.08 -1.56 4.33 8.25 -0.66 -4.56 115.22 117.78 1iw0 n HIS 625 Ca -0.01 -0.04 -0.54 0.00 -0.26 0.00 0.00 57.72 56.87 1iw0 n HIS 625 Cb 0.26 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 1iw0 n HIS 625 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iw0 n SER 626 N 1.22 1.16 -0.07 0.41 2.88 -0.65 -4.82 113.62 113.75 1iw0 n SER 626 Ca 0.13 1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.72 1iw0 n SER 626 Cb 0.54 -1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 62.87 1iw0 n SER 626 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1iw0 h THR 627 N 3.16 0.99 0.34 2.46 2.02 -1.91 -0.51 112.91 119.47 1iw0 h THR 627 Ca -0.48 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1iw0 h THR 627 Cb 1.36 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1iw0 h THR 627 CO 0.74 0.05 -0.33 0.15 0.37 0.00 0.00 175.52 176.50 1iw0 h PHE 628 N 0.29 -0.89 -0.59 3.16 3.57 -1.89 -0.19 116.94 120.40 1iw0 h PHE 628 Ca 0.11 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1iw0 h PHE 628 Cb 0.04 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1iw0 h PHE 628 CO -0.10 -0.47 0.14 0.52 -2.23 0.00 0.00 178.31 176.18 1iw0 h MET 629 N -0.69 0.95 -0.21 1.11 2.86 -1.87 0.32 114.93 117.40 1iw0 h MET 629 Ca -0.02 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1iw0 h MET 629 Cb 0.63 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1iw0 h MET 629 CO -0.06 0.88 0.10 0.77 1.06 0.00 0.00 176.91 179.66 1iw0 h SER 630 N 0.86 0.15 -0.71 1.22 0.02 -1.03 0.12 113.55 114.18 1iw0 h SER 630 Ca 0.19 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1iw0 h SER 630 Cb 0.35 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1iw0 h SER 630 CO 0.00 0.12 0.23 0.44 -1.14 0.00 0.00 176.83 176.48 1iw0 h ASP 631 N 0.22 1.04 -0.06 3.07 3.45 -0.86 0.43 116.42 123.71 1iw0 h ASP 631 Ca 0.08 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 1iw0 h ASP 631 Cb 0.02 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 1iw0 h ASP 631 CO -0.06 0.96 0.03 0.25 -1.57 0.00 0.00 179.24 178.85 1iw0 h LEU 632 N 1.07 0.07 -1.32 1.55 5.85 -0.48 -1.45 115.31 120.60 1iw0 h LEU 632 Ca 0.24 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1iw0 h LEU 632 Cb 0.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1iw0 h LEU 632 CO -0.01 0.16 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.85 1iw0 h LEU 633 N -0.02 0.00 -0.56 2.25 3.38 -0.58 -2.76 115.31 117.02 1iw0 h LEU 633 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iw0 h LEU 633 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1iw0 h LEU 633 CO -0.00 0.34 0.00 0.50 0.09 0.00 0.00 178.44 179.36 1iw0 h LYS 634 N 0.00 0.00 0.00 1.13 3.64 -0.64 -3.47 116.57 117.23 1iw0 h LYS 634 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iw0 h LYS 634 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1iw0 h LYS 634 CO 0.04 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.63 1iw0 n GLY 635 N 0.62 0.93 0.08 5.01 0.00 -0.96 -4.98 105.19 105.88 1iw0 n GLY 635 Ca 0.03 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1iw0 n GLY 635 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iw0 n ARG 636 N -2.13 0.27 0.00 1.61 1.74 -0.59 -4.82 116.66 112.74 1iw0 n ARG 636 Ca 0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1iw0 n ARG 636 Cb 0.00 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1iw0 n ARG 636 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1iw0 n LEU 637 N -2.14 0.00 0.00 0.55 4.77 -1.23 -4.99 117.00 113.96 1iw0 n LEU 637 Ca 0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1iw0 n LEU 637 Cb 0.43 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1iw0 n LEU 637 CO 0.34 0.00 0.46 0.61 -1.33 0.00 0.00 177.39 177.47 1iw0 n GLY 638 N 5.00 0.84 0.26 -0.72 0.00 -1.26 -5.02 105.19 104.29 1iw0 n GLY 638 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.08 1iw0 n GLY 638 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iw0 h VAL 639 N 1.53 0.95 -0.37 1.61 3.04 -1.97 -2.27 116.25 118.76 1iw0 h VAL 639 Ca -0.14 -0.12 0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1iw0 h VAL 639 Cb 0.64 1.07 -0.05 0.00 -2.01 0.00 0.00 31.29 30.94 1iw0 h VAL 639 CO 0.19 0.03 0.10 0.00 -1.01 0.00 0.00 177.57 176.89 1iw0 h ALA 640 N 1.96 0.42 -0.40 3.17 0.00 -1.99 0.63 119.26 123.05 1iw0 h ALA 640 Ca -0.00 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1iw0 h ALA 640 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1iw0 h ALA 640 CO 0.00 -0.30 -0.30 0.93 0.00 0.00 0.00 179.25 179.58 1iw0 h GLU 641 N 0.24 0.88 -0.57 0.00 3.07 -1.83 -1.03 114.58 115.34 1iw0 h GLU 641 Ca 0.17 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1iw0 h GLU 641 Cb 0.18 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1iw0 h GLU 641 CO -0.20 1.06 0.33 0.35 -1.40 0.00 0.00 179.01 179.14 1iw0 h PHE 642 N 0.74 0.77 -0.60 4.33 3.57 -1.13 -1.37 116.94 123.24 1iw0 h PHE 642 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1iw0 h PHE 642 Cb 0.87 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1iw0 h PHE 642 CO 0.05 0.54 0.32 1.15 -2.23 0.00 0.00 178.31 178.14 1iw0 h THR 643 N 0.77 1.20 -0.87 4.41 2.02 -0.63 -1.44 112.91 118.36 1iw0 h THR 643 Ca 0.20 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1iw0 h THR 643 Cb 0.01 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1iw0 h THR 643 CO -0.04 0.22 0.58 0.03 0.37 0.00 0.00 175.52 176.68 1iw0 h ARG 644 N 0.81 1.15 -0.40 6.66 2.47 -0.93 -1.07 114.38 123.08 1iw0 h ARG 644 Ca 0.21 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.88 1iw0 h ARG 644 Cb 0.06 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 1iw0 h ARG 644 CO -0.03 0.77 0.22 1.25 0.56 0.00 0.00 179.97 182.74 1iw0 h LEU 645 N 1.19 0.35 -0.98 3.04 5.85 -0.87 -2.34 115.31 121.56 1iw0 h LEU 645 Ca 0.32 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 1iw0 h LEU 645 Cb -0.13 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1iw0 h LEU 645 CO -0.07 0.25 -0.45 1.56 -0.34 0.00 0.00 178.44 179.39 1iw0 h GLN 646 N 0.45 0.00 -0.12 1.25 1.08 -0.72 -0.60 115.11 116.45 1iw0 h GLN 646 Ca 0.16 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1iw0 h GLN 646 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1iw0 h GLN 646 CO -0.09 0.45 0.04 0.93 -0.95 0.00 0.00 178.83 179.21 1iw0 h GLU 647 N 0.00 0.18 -0.74 1.46 5.08 -0.99 -0.01 114.58 119.55 1iw0 h GLU 647 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1iw0 h GLU 647 Cb 0.90 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1iw0 h GLU 647 CO 0.06 0.32 0.39 1.96 -1.00 0.00 0.00 179.01 180.74 1iw0 h GLN 648 N 0.01 1.05 -1.00 2.33 1.08 -1.01 -2.49 115.11 115.08 1iw0 h GLN 648 Ca 0.04 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1iw0 h GLN 648 Cb 0.22 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1iw0 h GLN 648 CO -0.00 0.79 0.66 0.00 -0.95 0.00 0.00 178.83 179.33 1iw0 h ALA 649 N 1.20 1.28 -0.89 3.87 0.00 -0.93 -1.66 119.26 122.12 1iw0 h ALA 649 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1iw0 h ALA 649 Cb 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1iw0 h ALA 649 CO -0.04 0.63 0.58 2.35 0.00 0.00 0.00 179.25 182.77 1iw0 h TRP 650 N 1.33 1.10 -0.04 0.00 7.01 -0.57 0.27 115.95 125.06 1iw0 h TRP 650 Ca 0.37 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.39 1iw0 h TRP 650 Cb -0.12 -0.37 -0.00 0.00 -2.10 0.00 0.00 29.16 26.57 1iw0 h TRP 650 CO -0.00 0.66 0.00 -0.07 -2.79 0.00 0.00 178.44 176.24 1iw0 h LEU 651 N 1.16 0.06 -0.57 0.65 3.38 -0.98 -1.52 115.31 117.48 1iw0 h LEU 651 Ca 0.34 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1iw0 h LEU 651 Cb -0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1iw0 h LEU 651 CO -0.10 0.31 -0.69 2.19 0.09 0.00 0.00 178.44 180.24 1iw0 h PHE 652 N -0.20 0.17 -0.18 1.13 -5.15 -1.09 -2.71 116.94 108.90 1iw0 h PHE 652 Ca 0.01 -0.08 -0.12 0.00 -0.20 0.00 0.00 57.97 57.58 1iw0 h PHE 652 Cb 0.28 -0.03 -0.01 0.00 0.22 0.00 0.00 35.95 36.41 1iw0 h PHE 652 CO 0.02 0.78 -0.41 1.88 -2.00 0.00 0.00 178.31 178.58 1iw0 h TYR 653 N 0.09 0.50 -0.26 6.09 0.05 -0.48 0.13 116.97 123.09 1iw0 h TYR 653 Ca -0.01 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.65 1iw0 h TYR 653 Cb 1.23 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.83 1iw0 h TYR 653 CO 0.01 0.77 0.10 1.15 -1.05 0.00 0.00 178.16 179.14 1iw0 h THR 654 N 0.35 0.95 -0.43 -2.88 2.02 -1.16 -0.01 112.91 111.75 1iw0 h THR 654 Ca 0.03 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1iw0 h THR 654 Cb 0.87 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1iw0 h THR 654 CO 0.07 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.97 1iw0 h ALA 655 N 1.16 0.59 -0.61 6.16 0.00 -1.20 -2.13 119.26 123.22 1iw0 h ALA 655 Ca 0.11 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1iw0 h ALA 655 Cb 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1iw0 h ALA 655 CO -0.11 0.41 0.31 1.25 0.00 0.00 0.00 179.25 181.12 1iw0 h LEU 656 N 0.62 0.43 -0.83 0.00 5.85 -0.51 -1.91 115.31 118.96 1iw0 h LEU 656 Ca 0.12 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1iw0 h LEU 656 Cb 0.54 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1iw0 h LEU 656 CO 0.03 0.28 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.64 1iw0 h GLU 657 N 0.57 0.00 -0.63 1.25 5.08 -0.86 0.12 114.58 120.12 1iw0 h GLU 657 Ca 0.28 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1iw0 h GLU 657 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1iw0 h GLU 657 CO -0.20 0.44 0.08 1.96 -1.00 0.00 0.00 179.01 180.29 1iw0 h GLN 658 N 0.00 1.04 -0.31 2.33 4.20 -0.85 -0.54 115.11 120.98 1iw0 h GLN 658 Ca -0.00 -0.28 -0.16 0.00 0.06 0.00 0.00 58.65 58.26 1iw0 h GLN 658 Cb 0.98 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1iw0 h GLN 658 CO 0.06 0.97 -0.43 0.00 -0.67 0.00 0.00 178.83 178.76 1iw0 h ALA 659 N 1.10 0.46 -0.54 3.87 0.00 -0.56 -2.30 119.26 121.29 1iw0 h ALA 659 Ca 0.19 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1iw0 h ALA 659 Cb 0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1iw0 h ALA 659 CO 0.02 0.60 0.31 0.28 0.00 0.00 0.00 179.25 180.46 1iw0 h VAL 660 N 0.61 1.02 -0.77 0.00 2.07 -0.68 -0.94 116.25 117.57 1iw0 h VAL 660 Ca 0.03 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1iw0 h VAL 660 Cb 1.03 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1iw0 h VAL 660 CO 0.10 0.11 0.35 0.44 0.02 0.00 0.00 177.57 178.59 1iw0 h ASP 661 N 0.61 1.02 -0.33 0.57 3.32 -0.96 0.91 116.42 121.56 1iw0 h ASP 661 Ca 0.23 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1iw0 h ASP 661 Cb 0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1iw0 h ASP 661 CO -0.12 0.88 -0.02 0.00 -1.72 0.00 0.00 179.24 178.26 1iw0 h ALA 662 N 1.27 0.45 -0.34 3.45 0.00 -0.99 -1.65 119.26 121.46 1iw0 h ALA 662 Ca 0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1iw0 h ALA 662 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1iw0 h ALA 662 CO -0.03 0.23 0.03 0.28 0.00 0.00 0.00 179.25 179.76 1iw0 h VAL 663 N 0.40 1.25 -0.92 0.00 2.07 -0.73 -2.63 116.25 115.69 1iw0 h VAL 663 Ca 0.09 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1iw0 h VAL 663 Cb 0.48 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1iw0 h VAL 663 CO 0.02 0.29 0.57 -0.09 0.02 0.00 0.00 177.57 178.38 1iw0 h ARG 664 N 0.40 0.97 0.00 1.57 2.43 -0.79 -1.04 114.38 117.92 1iw0 h ARG 664 Ca 0.10 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1iw0 h ARG 664 Cb 0.39 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1iw0 h ARG 664 CO 0.01 0.64 -0.13 0.00 -1.51 0.00 0.00 179.97 178.98 1iw0 h ALA 665 N 1.45 1.60 0.00 2.80 0.00 -1.01 -0.49 119.26 123.60 1iw0 h ALA 665 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1iw0 h ALA 665 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1iw0 h ALA 665 CO -0.20 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 1iw0 n SER 666 N -4.11 0.00 0.00 0.00 3.41 -0.41 -4.90 113.62 107.61 1iw0 n SER 666 Ca -0.02 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1iw0 n SER 666 Cb 0.21 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1iw0 n SER 666 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iw0 n GLY 667 N 1.16 0.41 3.72 5.00 0.00 -0.19 -5.04 105.19 110.23 1iw0 n GLY 667 Ca 0.16 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 1iw0 n GLY 667 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iw0 s PHE 668 N -2.00 3.39 -1.37 1.61 5.36 -1.17 -4.47 117.98 119.33 1iw0 s PHE 668 Ca 0.00 0.32 -0.08 0.00 -0.96 0.00 0.00 56.93 56.21 1iw0 s PHE 668 Cb 0.00 -2.19 0.05 0.00 -0.34 0.00 0.00 43.02 40.55 1iw0 s PHE 668 CO 0.00 0.25 0.54 0.00 -1.46 0.00 0.00 175.22 174.55 1iw0 n ALA 669 N 3.66 -1.04 -0.15 11.12 0.00 -1.26 -4.34 120.51 128.49 1iw0 n ALA 669 Ca -0.16 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1iw0 n ALA 669 Cb 0.52 -3.19 0.06 0.00 0.00 0.00 0.00 19.45 16.84 1iw0 n ALA 669 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iw0 h GLU 670 N -1.14 0.14 -0.44 0.00 5.08 -1.90 -1.88 114.58 114.44 1iw0 h GLU 670 Ca -0.46 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1iw0 h GLU 670 Cb 1.31 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1iw0 h GLU 670 CO 0.55 0.09 0.17 0.66 -1.00 0.00 0.00 179.01 179.48 1iw0 h SER 671 N 0.14 0.56 -0.34 1.42 4.64 -1.97 -2.61 113.55 115.39 1iw0 h SER 671 Ca 0.25 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1iw0 h SER 671 Cb 0.36 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1iw0 h SER 671 CO -0.39 0.51 -0.23 0.25 -0.87 0.00 0.00 176.83 176.10 1iw0 h LEU 672 N 0.62 0.86 -5.23 5.97 5.85 -1.74 -3.34 115.31 118.29 1iw0 h LEU 672 Ca 0.15 -0.32 -0.69 0.00 0.84 0.00 0.00 57.88 57.86 1iw0 h LEU 672 Cb 0.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1iw0 h LEU 672 CO -0.02 1.05 3.38 0.18 -0.34 0.00 0.00 178.44 182.69 1iw0 n LEU 673 N -4.11 8.51 -4.66 2.25 4.77 -0.95 -4.93 117.00 117.88 1iw0 n LEU 673 Ca 0.00 -4.54 -0.42 0.00 -0.03 0.00 0.00 56.01 51.02 1iw0 n LEU 673 Cb 0.45 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1iw0 n LEU 673 CO 0.45 2.06 1.29 -0.62 -1.33 0.00 0.00 177.39 179.24 1iw0 s ASP 674 N 1.59 6.75 0.61 -1.43 2.15 -1.26 -4.88 116.67 120.20 1iw0 s ASP 674 Ca 0.64 2.09 0.40 0.00 0.43 0.00 0.00 52.55 56.11 1iw0 s ASP 674 Cb 0.18 -2.54 2.05 0.00 -0.30 0.00 0.00 42.92 42.32 1iw0 s ASP 674 CO -0.07 -0.88 2.22 -0.65 -0.17 0.00 0.00 175.17 175.62 1iw0 h PRO 675 N 9.13 0.00 -0.01 4.34 0.11 -1.93 -1.57 132.00 142.07 1iw0 h PRO 675 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1iw0 h PRO 675 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1iw0 h PRO 675 CO 0.96 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.76 1iw0 h ALA 676 N 2.01 1.49 0.00 -0.75 0.00 -1.95 -1.45 119.26 118.61 1iw0 h ALA 676 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iw0 h ALA 676 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iw0 h ALA 676 CO 0.00 -0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.16 1iw0 h LEU 677 N 0.00 0.00 -9.28 0.00 3.38 -1.67 -3.44 115.31 104.31 1iw0 h LEU 677 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.30 1iw0 h LEU 677 Cb 0.03 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.83 1iw0 h LEU 677 CO -0.00 0.00 0.53 0.59 0.09 0.00 0.00 178.44 179.65 1iw0 n ASN 678 N -2.57 1.84 -0.00 -0.43 5.03 -0.55 -4.89 115.26 113.70 1iw0 n ASN 678 Ca 0.03 1.11 0.04 0.00 0.87 0.00 0.00 54.58 56.63 1iw0 n ASN 678 Cb 0.34 -1.20 -0.06 0.00 -1.02 0.00 0.00 39.78 37.83 1iw0 n ASN 678 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1iw0 n ARG 679 N 2.91 1.67 -0.16 3.52 5.12 -1.26 -4.72 116.66 123.74 1iw0 n ARG 679 Ca 0.19 -0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 55.98 1iw0 n ARG 679 Cb 0.19 -1.11 0.02 0.00 -1.16 0.00 0.00 32.46 30.40 1iw0 n ARG 679 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iw0 h ALA 680 N 0.98 0.62 -0.14 7.54 0.00 -1.90 0.69 119.26 127.05 1iw0 h ALA 680 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1iw0 h ALA 680 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1iw0 h ALA 680 CO 0.00 0.10 -0.59 0.93 0.00 0.00 0.00 179.25 179.69 1iw0 h GLU 681 N 0.65 0.47 -0.37 0.00 4.39 -1.97 -1.98 114.58 115.77 1iw0 h GLU 681 Ca 0.18 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1iw0 h GLU 681 Cb -0.02 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1iw0 h GLU 681 CO -0.03 0.92 0.22 0.28 -1.16 0.00 0.00 179.01 179.23 1iw0 h VAL 682 N 0.35 1.13 -0.78 3.13 2.07 -1.75 -1.97 116.25 118.43 1iw0 h VAL 682 Ca -0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1iw0 h VAL 682 Cb 1.13 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1iw0 h VAL 682 CO 0.11 0.13 0.45 -0.07 0.02 0.00 0.00 177.57 178.21 1iw0 h LEU 683 N 0.48 0.94 -0.73 2.57 3.38 -0.54 0.45 115.31 121.87 1iw0 h LEU 683 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1iw0 h LEU 683 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1iw0 h LEU 683 CO -0.02 0.74 0.14 0.00 0.09 0.00 0.00 178.44 179.38 1iw0 h ALA 684 N 1.42 0.95 -0.60 1.53 0.00 -1.11 0.13 119.26 121.58 1iw0 h ALA 684 Ca 0.28 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1iw0 h ALA 684 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1iw0 h ALA 684 CO -0.05 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1iw0 h ARG 685 N 1.05 1.07 -0.59 0.00 3.08 -0.65 -0.13 114.38 118.20 1iw0 h ARG 685 Ca 0.21 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1iw0 h ARG 685 Cb 0.41 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1iw0 h ARG 685 CO 0.01 1.06 0.36 -0.44 -1.07 0.00 0.00 179.97 179.88 1iw0 h ASP 686 N 0.97 0.71 -0.29 7.04 3.45 -0.31 -1.20 116.42 126.80 1iw0 h ASP 686 Ca 0.17 -0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 1iw0 h ASP 686 Cb 0.59 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 1iw0 h ASP 686 CO 0.04 0.56 -0.02 -0.07 -1.57 0.00 0.00 179.24 178.17 1iw0 h LEU 687 N 0.80 0.61 -0.77 1.55 3.38 -0.73 0.12 115.31 120.26 1iw0 h LEU 687 Ca 0.21 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1iw0 h LEU 687 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1iw0 h LEU 687 CO -0.04 0.70 0.25 0.44 0.09 0.00 0.00 178.44 179.87 1iw0 h ASP 688 N 0.60 1.09 -0.14 -0.43 3.32 -0.55 -1.35 116.42 118.96 1iw0 h ASP 688 Ca 0.12 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1iw0 h ASP 688 Cb 0.41 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1iw0 h ASP 688 CO 0.02 1.00 -0.13 0.11 -1.72 0.00 0.00 179.24 178.52 1iw0 h LYS 689 N 1.12 0.33 -0.90 3.56 1.57 -0.61 0.39 116.57 122.03 1iw0 h LYS 689 Ca 0.25 -0.17 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 1iw0 h LYS 689 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 1iw0 h LYS 689 CO -0.01 0.71 0.58 -0.07 -0.57 0.00 0.00 179.45 180.09 1iw0 h LEU 690 N -0.04 0.78 0.00 2.94 3.38 -0.65 -2.76 115.31 118.97 1iw0 h LEU 690 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iw0 h LEU 690 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iw0 h LEU 690 CO 0.03 0.45 -1.09 0.59 0.09 0.00 0.00 178.44 178.51 1iw0 n ASN 691 N -4.54 0.61 -0.82 -0.43 3.02 -0.52 -4.95 115.26 107.63 1iw0 n ASN 691 Ca 0.16 -0.27 -0.11 0.00 -0.03 0.00 0.00 54.58 54.33 1iw0 n ASN 691 Cb 0.34 0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 40.35 1iw0 n ASN 691 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iw0 n GLY 692 N 1.37 1.12 3.51 7.41 0.00 0.09 -4.93 105.19 113.76 1iw0 n GLY 692 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1iw0 n GLY 692 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iw0 s SER 693 N -2.56 -0.40 0.00 1.61 0.15 -0.96 -5.02 113.70 106.52 1iw0 s SER 693 Ca 0.00 0.11 0.29 0.00 0.70 0.00 0.00 55.95 57.05 1iw0 s SER 693 Cb 0.00 0.39 1.28 0.00 -1.71 0.00 0.00 66.02 65.98 1iw0 s SER 693 CO 0.00 -0.59 1.95 -1.54 1.20 0.00 0.00 173.24 174.25 1iw0 n SER 694 N -0.01 0.00 0.01 5.45 3.41 -1.26 -4.38 113.62 116.84 1iw0 n SER 694 Ca -0.10 0.41 0.06 0.00 -0.26 0.00 0.00 58.87 58.98 1iw0 n SER 694 Cb 0.61 -0.47 0.26 0.00 -0.26 0.00 0.00 64.21 64.35 1iw0 n SER 694 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1iw0 n GLU 695 N -1.47 0.01 0.23 4.33 0.00 -1.26 -1.93 120.64 120.55 1iw0 n GLU 695 Ca 0.08 0.32 0.17 0.00 0.00 0.00 0.00 57.16 57.73 1iw0 n GLU 695 Cb 0.33 -1.53 0.86 0.00 0.00 0.00 0.00 31.44 31.09 1iw0 n GLU 695 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1iw0 h TRP 696 N 0.00 0.00 0.00 4.31 5.08 -1.94 -0.08 115.95 123.32 1iw0 h TRP 696 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1iw0 h TRP 696 Cb 0.20 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1iw0 h TRP 696 CO 0.00 0.00 -0.04 0.00 -1.28 0.00 0.00 178.44 177.12 1iw0 h ARG 697 N 0.00 0.00 -0.03 0.12 3.08 -1.75 -0.91 114.38 114.88 1iw0 h ARG 697 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1iw0 h ARG 697 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1iw0 h ARG 697 CO -0.00 0.04 0.00 0.43 -1.07 0.00 0.00 179.97 179.37 1iw0 n SER 698 N -3.91 1.22 0.00 7.04 7.64 -0.04 -4.24 113.62 121.34 1iw0 n SER 698 Ca -0.03 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1iw0 n SER 698 Cb 0.12 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1iw0 n SER 698 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iw0 n ARG 699 N -0.03 3.47 -2.02 1.43 5.12 -0.52 -5.08 116.66 119.03 1iw0 n ARG 699 Ca 0.19 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.72 1iw0 n ARG 699 Cb 0.30 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1iw0 n ARG 699 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1iw0 s ILE 700 N -1.90 2.56 -0.06 0.55 2.07 -0.46 -5.03 121.20 118.93 1iw0 s ILE 700 Ca 0.00 0.48 -0.10 0.00 -1.41 0.00 0.00 60.65 59.62 1iw0 s ILE 700 Cb 0.00 -3.28 0.02 0.00 0.13 0.00 0.00 42.46 39.33 1iw0 s ILE 700 CO 0.00 0.06 0.25 0.28 -1.91 0.00 0.00 174.94 173.61 1iw0 s THR 701 N -1.29 0.03 0.21 4.00 -1.32 -1.26 -5.04 115.64 110.96 1iw0 s THR 701 Ca 0.59 -0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 60.51 1iw0 s THR 701 Cb -0.38 -0.44 -0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1iw0 s THR 701 CO 0.48 -0.15 1.34 0.00 -2.21 0.00 0.00 174.62 174.08 1iw0 s ALA 702 N -0.55 3.55 0.79 11.08 0.00 -1.26 -4.95 121.76 130.42 1iw0 s ALA 702 Ca -0.07 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1iw0 s ALA 702 Cb -0.04 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.65 1iw0 s ALA 702 CO 0.02 -0.58 1.09 -1.54 0.00 0.00 0.00 175.76 174.75 1iw0 s SER 703 N 0.37 4.49 0.34 0.00 1.04 -1.26 -4.76 113.70 113.92 1iw0 s SER 703 Ca 0.57 1.43 0.05 0.00 0.48 0.00 0.00 55.95 58.48 1iw0 s SER 703 Cb -0.37 -2.17 0.70 0.00 0.10 0.00 0.00 66.02 64.27 1iw0 s SER 703 CO 0.39 -1.99 1.92 -0.65 0.98 0.00 0.00 173.24 173.89 1iw0 h PRO 704 N -1.10 0.79 -0.68 4.02 0.11 -1.97 -1.10 132.00 132.07 1iw0 h PRO 704 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1iw0 h PRO 704 Cb 1.26 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1iw0 h PRO 704 CO 0.57 0.52 0.19 0.00 -0.21 0.00 0.00 178.00 179.08 1iw0 h ALA 705 N 1.58 0.89 -0.24 -0.75 0.00 -1.92 -2.64 119.26 116.18 1iw0 h ALA 705 Ca 0.37 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1iw0 h ALA 705 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1iw0 h ALA 705 CO -0.14 0.59 -0.39 0.28 0.00 0.00 0.00 179.25 179.59 1iw0 h VAL 706 N 1.01 1.30 -0.39 0.00 2.07 -1.68 -1.47 116.25 117.08 1iw0 h VAL 706 Ca 0.22 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 66.23 1iw0 h VAL 706 Cb 0.34 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1iw0 h VAL 706 CO -0.00 0.49 0.17 0.40 0.02 0.00 0.00 177.57 178.65 1iw0 h ILE 707 N 0.46 0.94 -0.61 4.57 2.04 -0.99 0.16 117.51 124.08 1iw0 h ILE 707 Ca 0.04 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1iw0 h ILE 707 Cb 0.88 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1iw0 h ILE 707 CO 0.08 0.07 0.14 0.44 0.00 0.00 0.00 178.15 178.87 1iw0 h ASP 708 N 0.36 0.93 -0.14 1.72 3.45 -1.32 0.21 116.42 121.63 1iw0 h ASP 708 Ca 0.17 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 1iw0 h ASP 708 Cb 0.11 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1iw0 h ASP 708 CO -0.14 0.93 0.02 0.22 -1.57 0.00 0.00 179.24 178.69 1iw0 h TYR 709 N 0.89 0.25 -0.81 4.55 3.20 -0.94 -1.77 116.97 122.34 1iw0 h TYR 709 Ca 0.19 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1iw0 h TYR 709 Cb 0.36 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1iw0 h TYR 709 CO 0.03 0.42 0.51 0.28 -1.64 0.00 0.00 178.16 177.75 1iw0 h VAL 710 N 0.01 1.22 -0.83 1.81 2.07 -0.64 -1.49 116.25 118.40 1iw0 h VAL 710 Ca 0.04 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1iw0 h VAL 710 Cb 0.31 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1iw0 h VAL 710 CO 0.00 0.22 0.53 0.78 0.02 0.00 0.00 177.57 179.13 1iw0 h ASN 711 N 1.11 0.88 -0.37 0.57 2.35 -0.76 0.11 115.58 119.46 1iw0 h ASN 711 Ca 0.29 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1iw0 h ASN 711 Cb -0.07 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1iw0 h ASN 711 CO -0.06 0.60 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.15 1iw0 h ARG 712 N 1.03 0.71 -0.83 0.81 9.65 -0.87 -1.46 114.38 123.42 1iw0 h ARG 712 Ca 0.33 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1iw0 h ARG 712 Cb 0.02 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1iw0 h ARG 712 CO -0.12 0.86 0.50 -0.07 2.80 0.00 0.00 179.97 183.94 1iw0 h LEU 713 N 0.52 1.00 -0.95 3.80 3.38 -0.84 -0.39 115.31 121.82 1iw0 h LEU 713 Ca 0.10 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1iw0 h LEU 713 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1iw0 h LEU 713 CO 0.03 0.77 -0.37 -0.33 0.09 0.00 0.00 178.44 178.63 1iw0 h GLU 714 N 1.15 0.30 -0.26 1.13 5.08 -0.66 -0.62 114.58 120.70 1iw0 h GLU 714 Ca 0.30 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1iw0 h GLU 714 Cb -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1iw0 h GLU 714 CO -0.06 0.63 0.07 0.93 -1.00 0.00 0.00 179.01 179.58 1iw0 h GLU 715 N 0.25 0.42 -0.99 2.33 5.08 -0.65 -0.23 114.58 120.78 1iw0 h GLU 715 Ca 0.03 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1iw0 h GLU 715 Cb 0.77 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1iw0 h GLU 715 CO 0.06 0.51 0.65 0.82 -1.00 0.00 0.00 179.01 180.05 1iw0 h ILE 716 N 0.25 1.17 0.12 3.13 2.04 -0.82 0.93 117.51 124.33 1iw0 h ILE 716 Ca 0.08 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1iw0 h ILE 716 Cb 0.27 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1iw0 h ILE 716 CO 0.00 0.23 -0.06 -0.09 0.00 0.00 0.00 178.15 178.23 1iw0 h ARG 717 N 1.25 -0.16 -0.29 2.37 2.43 -0.88 0.21 114.38 119.31 1iw0 h ARG 717 Ca 0.40 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.47 1iw0 h ARG 717 Cb 0.02 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1iw0 h ARG 717 CO -0.13 -0.01 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.61 1iw0 h ASP 718 N -0.28 0.60 0.68 -3.80 3.32 -0.57 -2.43 116.42 113.93 1iw0 h ASP 718 Ca -0.02 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1iw0 h ASP 718 Cb 0.23 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1iw0 h ASP 718 CO 0.03 0.85 -0.19 0.59 -1.72 0.00 0.00 179.24 178.80 1iw0 n ASN 719 N -4.10 0.28 -3.71 6.45 3.02 0.28 -4.96 115.26 112.51 1iw0 n ASN 719 Ca -0.00 -0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.30 1iw0 n ASN 719 Cb 0.44 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.48 1iw0 n ASN 719 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1iw0 n VAL 720 N -1.36 -4.79 -2.91 2.41 0.31 -0.01 -4.87 118.33 107.10 1iw0 n VAL 720 Ca 0.08 -0.64 -0.44 0.00 -0.01 0.00 0.00 64.34 63.34 1iw0 n VAL 720 Cb 0.32 -3.87 -0.03 0.00 -0.91 0.00 0.00 33.84 29.35 1iw0 n VAL 720 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iw0 s ASP 721 N -4.15 6.60 0.06 4.52 -1.08 -0.77 -4.91 116.67 116.94 1iw0 s ASP 721 Ca 0.11 -1.97 -0.33 0.00 -0.52 0.00 0.00 52.55 49.84 1iw0 s ASP 721 Cb -0.03 -2.40 -0.19 0.00 -1.46 0.00 0.00 42.92 38.83 1iw0 s ASP 721 CO 0.83 -1.10 1.53 1.23 0.52 0.00 0.00 175.17 178.19 1iw0 h GLY 722 N 10.53 -1.05 -0.13 2.66 0.00 -1.89 -0.76 103.07 112.43 1iw0 h GLY 722 Ca 0.14 0.39 0.18 0.00 0.00 0.00 0.00 47.33 48.04 1iw0 h GLY 722 CO 1.12 -0.38 0.26 -2.55 0.00 0.00 0.00 176.54 174.99 1iw0 h PRO 723 N -1.06 0.31 -0.51 4.80 0.11 -1.91 -0.19 132.00 133.55 1iw0 h PRO 723 Ca -0.10 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 1iw0 h PRO 723 Cb 0.78 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1iw0 h PRO 723 CO 0.17 0.21 0.08 0.00 -0.21 0.00 0.00 178.00 178.24 1iw0 h ALA 724 N 1.65 0.68 -0.31 -0.75 0.00 -1.84 -2.13 119.26 116.56 1iw0 h ALA 724 Ca 0.47 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1iw0 h ALA 724 Cb 0.84 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1iw0 h ALA 724 CO -0.52 0.42 0.10 1.25 0.00 0.00 0.00 179.25 180.50 1iw0 h LEU 725 N 0.73 0.11 -1.05 0.00 7.12 -0.26 -2.45 115.31 119.51 1iw0 h LEU 725 Ca 0.16 0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.24 1iw0 h LEU 725 Cb 0.40 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.50 1iw0 h LEU 725 CO 0.01 0.10 0.64 0.58 -0.13 0.00 0.00 178.44 179.64 1iw0 h VAL 726 N 0.24 1.16 -0.34 1.05 2.07 -0.69 0.01 116.25 119.75 1iw0 h VAL 726 Ca 0.14 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1iw0 h VAL 726 Cb 0.11 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 1iw0 h VAL 726 CO -0.15 0.22 0.10 0.00 0.02 0.00 0.00 177.57 177.77 1iw0 h ALA 727 N 1.44 0.38 -0.24 1.67 0.00 -0.98 -0.54 119.26 120.98 1iw0 h ALA 727 Ca 0.39 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1iw0 h ALA 727 Cb 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1iw0 h ALA 727 CO -0.13 -0.30 -0.18 0.45 0.00 0.00 0.00 179.25 179.09 1iw0 h HIS 728 N 0.24 0.46 -0.33 0.00 -0.00 -0.78 -1.68 115.15 113.06 1iw0 h HIS 728 Ca 0.15 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1iw0 h HIS 728 Cb 0.14 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1iw0 h HIS 728 CO -0.15 0.59 0.01 1.25 -0.00 0.00 0.00 177.93 179.62 1iw0 h HIS 729 N 0.38 0.63 0.20 2.45 6.17 -0.61 -2.06 115.15 122.31 1iw0 h HIS 729 Ca 0.07 -0.11 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 1iw0 h HIS 729 Cb 0.55 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1iw0 h HIS 729 CO 0.02 0.69 -0.09 -0.92 0.71 0.00 0.00 177.93 178.33 1iw0 h TYR 730 N 0.39 -0.24 -0.82 5.26 3.20 -0.90 0.60 116.97 124.47 1iw0 h TYR 730 Ca 0.10 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1iw0 h TYR 730 Cb 0.43 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 1iw0 h TYR 730 CO 0.03 -0.05 0.50 0.28 -1.64 0.00 0.00 178.16 177.28 1iw0 h VAL 731 N -0.39 1.04 0.00 1.81 2.07 -1.23 -2.36 116.25 117.19 1iw0 h VAL 731 Ca -0.03 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1iw0 h VAL 731 Cb 0.30 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1iw0 h VAL 731 CO 0.04 0.17 -0.18 0.03 0.02 0.00 0.00 177.57 177.65 1iw0 h ARG 732 N 0.93 0.00 -0.35 1.57 2.47 -1.34 -3.34 114.38 114.32 1iw0 h ARG 732 Ca 0.35 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.90 1iw0 h ARG 732 Cb 0.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1iw0 h ARG 732 CO -0.16 0.03 -0.44 1.88 0.56 0.00 0.00 179.97 181.84 1iw0 h TYR 733 N -1.00 1.10 -0.18 3.04 0.05 -0.93 -0.62 116.97 118.42 1iw0 h TYR 733 Ca -0.00 -0.35 -0.13 0.00 0.05 0.00 0.00 58.73 58.29 1iw0 h TYR 733 Cb 0.20 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1iw0 h TYR 733 CO -0.06 1.18 -0.44 1.25 -1.05 0.00 0.00 178.16 179.04 1iw0 h LEU 734 N 0.72 0.48 -0.57 3.88 5.85 -1.52 -0.33 115.31 123.82 1iw0 h LEU 734 Ca 0.05 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1iw0 h LEU 734 Cb 1.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1iw0 h LEU 734 CO 0.10 0.85 0.15 1.23 -0.34 0.00 0.00 178.44 180.44 1iw0 h GLY 735 N 1.14 0.98 1.00 3.75 0.00 -1.59 -0.80 103.07 107.55 1iw0 h GLY 735 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1iw0 h GLY 735 CO 0.08 0.56 0.41 -0.55 0.00 0.00 0.00 176.54 177.04 1iw0 h ASP 736 N 0.81 0.76 0.10 0.19 3.45 -0.68 0.55 116.42 121.61 1iw0 h ASP 736 Ca 0.18 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.51 1iw0 h ASP 736 Cb 0.33 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1iw0 h ASP 736 CO 0.00 0.57 -0.30 -0.07 -1.57 0.00 0.00 179.24 177.88 1iw0 h LEU 737 N 0.87 0.30 0.09 1.55 3.38 -0.92 -1.65 115.31 118.94 1iw0 h LEU 737 Ca 0.23 -0.10 -0.34 0.00 0.09 0.00 0.00 57.88 57.76 1iw0 h LEU 737 Cb -0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1iw0 h LEU 737 CO -0.05 0.59 -1.92 -1.20 0.09 0.00 0.00 178.44 175.96 1iw0 n SER 738 N -4.11 1.75 -0.00 -0.43 7.64 -0.32 -4.60 113.62 113.54 1iw0 n SER 738 Ca -0.01 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1iw0 n SER 738 Cb 0.40 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1iw0 n SER 738 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iw0 n GLY 739 N 1.87 0.93 0.32 0.23 0.00 0.16 -4.77 105.19 103.93 1iw0 n GLY 739 Ca -0.27 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1iw0 n GLY 739 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iw0 h GLY 740 N 0.02 0.77 1.73 -0.02 0.00 -1.28 -2.03 103.07 102.25 1iw0 h GLY 740 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1iw0 h GLY 740 CO 0.00 0.29 -0.10 0.06 0.00 0.00 0.00 176.54 176.79 1iw0 h GLN 741 N 0.74 0.33 -0.11 4.80 -0.00 -1.81 -0.56 115.11 118.50 1iw0 h GLN 741 Ca 0.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 1iw0 h GLN 741 Cb -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.37 1iw0 h GLN 741 CO -0.04 0.44 0.03 0.28 -0.00 0.00 0.00 178.83 179.55 1iw0 h VAL 742 N 0.32 1.18 -0.27 1.86 2.07 -1.71 -1.85 116.25 117.84 1iw0 h VAL 742 Ca 0.06 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1iw0 h VAL 742 Cb 0.38 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1iw0 h VAL 742 CO 0.02 0.16 0.16 0.40 0.02 0.00 0.00 177.57 178.33 1iw0 h ILE 743 N -0.01 1.10 -0.44 4.57 2.04 -1.24 -1.18 117.51 122.36 1iw0 h ILE 743 Ca 0.04 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1iw0 h ILE 743 Cb 0.22 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1iw0 h ILE 743 CO -0.00 0.10 0.20 0.00 0.00 0.00 0.00 178.15 178.45 1iw0 h ALA 744 N 1.06 0.54 -0.58 1.87 0.00 -1.13 -1.13 119.26 119.89 1iw0 h ALA 744 Ca 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1iw0 h ALA 744 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1iw0 h ALA 744 CO -0.02 -0.17 0.14 -0.09 0.00 0.00 0.00 179.25 179.11 1iw0 h ARG 745 N 0.40 0.90 -0.39 0.00 2.43 -1.03 -1.91 114.38 114.78 1iw0 h ARG 745 Ca 0.19 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1iw0 h ARG 745 Cb 0.13 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1iw0 h ARG 745 CO -0.16 0.81 -0.13 0.52 -1.51 0.00 0.00 179.97 179.50 1iw0 h MET 746 N 0.86 0.71 -0.56 0.20 2.86 -0.55 0.10 114.93 118.55 1iw0 h MET 746 Ca 0.19 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 1iw0 h MET 746 Cb 0.32 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1iw0 h MET 746 CO -0.00 0.81 0.00 0.52 1.06 0.00 0.00 176.91 179.30 1iw0 h MET 747 N 0.64 0.96 0.20 1.72 2.86 -0.73 -0.97 114.93 119.62 1iw0 h MET 747 Ca 0.11 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1iw0 h MET 747 Cb 0.59 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1iw0 h MET 747 CO 0.04 0.95 -0.09 1.96 1.06 0.00 0.00 176.91 180.82 1iw0 h GLN 748 N 0.89 -0.25 0.39 1.72 4.20 -1.13 -2.18 115.11 118.75 1iw0 h GLN 748 Ca 0.16 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1iw0 h GLN 748 Cb 0.52 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1iw0 h GLN 748 CO 0.03 0.00 -0.32 -0.09 -0.67 0.00 0.00 178.83 177.78 1iw0 h ARG 749 N -0.49 -0.69 0.01 1.46 2.43 -0.65 -0.98 114.38 115.46 1iw0 h ARG 749 Ca -0.03 0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.95 1iw0 h ARG 749 Cb 0.37 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1iw0 h ARG 749 CO 0.04 -0.46 -1.24 0.45 -1.51 0.00 0.00 179.97 177.25 1iw0 h HIS 750 N -0.72 0.04 0.00 2.20 3.86 -1.31 -3.40 115.15 115.83 1iw0 h HIS 750 Ca -0.03 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1iw0 h HIS 750 Cb 0.63 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1iw0 h HIS 750 CO -0.16 1.03 0.00 0.66 0.86 0.00 0.00 177.93 180.32 1iw0 n TYR 751 N -3.27 0.00 -1.82 2.45 0.53 -0.85 -5.00 117.16 109.20 1iw0 n TYR 751 Ca -0.06 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.68 1iw0 n TYR 751 Cb 0.98 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.26 1iw0 n TYR 751 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iw0 n GLY 752 N 0.14 0.61 3.74 2.72 0.00 -0.37 -4.87 105.19 107.16 1iw0 n GLY 752 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1iw0 n GLY 752 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iw0 s VAL 753 N -2.59 2.90 0.35 1.61 1.01 -1.06 -4.95 120.40 117.67 1iw0 s VAL 753 Ca 0.00 0.74 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 1iw0 s VAL 753 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1iw0 s VAL 753 CO 0.00 0.11 1.15 -0.62 0.00 0.00 0.00 175.10 175.74 1iw0 s ASP 754 N 0.41 6.82 0.45 3.32 -1.08 -1.26 -4.28 116.67 121.05 1iw0 s ASP 754 Ca 0.59 2.32 0.19 0.00 -0.52 0.00 0.00 52.55 55.13 1iw0 s ASP 754 Cb -0.40 -2.62 1.14 0.00 -1.46 0.00 0.00 42.92 39.58 1iw0 s ASP 754 CO 0.40 -0.46 1.91 -0.65 0.52 0.00 0.00 175.17 176.88 1iw0 h PRO 755 N 3.08 0.32 0.00 4.34 0.11 -1.97 0.46 132.00 138.34 1iw0 h PRO 755 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1iw0 h PRO 755 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1iw0 h PRO 755 CO 0.64 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.69 1iw0 h GLU 756 N 0.33 0.00 -0.49 1.05 4.11 -2.02 -0.68 114.58 116.89 1iw0 h GLU 756 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1iw0 h GLU 756 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1iw0 h GLU 756 CO -0.11 0.00 0.00 0.00 0.07 0.00 0.00 179.01 178.97 1iw0 n ALA 757 N -1.99 2.96 -1.40 1.06 0.00 0.15 -4.30 120.51 116.99 1iw0 n ALA 757 Ca -0.02 -1.72 0.08 0.00 0.00 0.00 0.00 53.44 51.77 1iw0 n ALA 757 Cb 0.10 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 18.86 1iw0 n ALA 757 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iw0 n LEU 758 N 0.55 2.20 0.04 0.00 4.77 -0.26 -4.79 117.00 119.50 1iw0 n LEU 758 Ca 0.22 -3.12 0.12 0.00 -0.03 0.00 0.00 56.01 53.20 1iw0 n LEU 758 Cb 0.83 -0.40 0.58 0.00 -2.33 0.00 0.00 43.42 42.09 1iw0 n LEU 758 CO 0.19 0.89 1.15 1.23 -1.33 0.00 0.00 177.39 179.53 1iw0 h GLY 759 N 0.38 0.28 0.27 -0.72 0.00 -1.75 -1.82 103.07 99.71 1iw0 h GLY 759 Ca -0.01 -0.09 0.21 0.00 0.00 0.00 0.00 47.33 47.44 1iw0 h GLY 759 CO 0.01 0.06 0.60 -2.75 0.00 0.00 0.00 176.54 174.46 1iw0 h PHE 760 N 0.21 0.51 -0.01 5.60 3.57 -1.87 -1.32 116.94 123.64 1iw0 h PHE 760 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1iw0 h PHE 760 Cb 0.46 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1iw0 h PHE 760 CO -0.00 0.13 -0.05 0.66 -2.23 0.00 0.00 178.31 176.82 1iw0 n TYR 761 N -4.50 0.00 -4.74 0.41 4.02 -0.68 -4.79 117.16 106.88 1iw0 n TYR 761 Ca 0.20 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.76 1iw0 n TYR 761 Cb 0.73 -0.04 -0.16 0.00 -0.02 0.00 0.00 39.34 39.85 1iw0 n TYR 761 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1iw0 s HIS 762 N -2.13 2.73 -0.41 -0.72 5.04 -0.50 -4.57 115.29 114.73 1iw0 s HIS 762 Ca 0.36 -0.98 -0.12 0.00 -1.54 0.00 0.00 55.06 52.79 1iw0 s HIS 762 Cb 0.21 -1.84 0.05 0.00 0.04 0.00 0.00 32.58 31.04 1iw0 s HIS 762 CO 0.38 -0.41 0.27 -0.06 -2.34 0.00 0.00 174.74 172.59 1iw0 s PHE 763 N 0.61 3.27 0.23 3.88 0.40 -1.26 -4.94 117.98 120.16 1iw0 s PHE 763 Ca -0.10 -1.05 -0.30 0.00 -0.60 0.00 0.00 56.93 54.89 1iw0 s PHE 763 Cb -0.16 -2.75 -0.09 0.00 0.51 0.00 0.00 43.02 40.53 1iw0 s PHE 763 CO 0.03 -0.72 1.38 -1.83 0.70 0.00 0.00 175.22 174.77 1iw0 s GLU 764 N 1.56 4.33 0.00 0.44 -1.05 -1.26 -2.19 118.70 120.52 1iw0 s GLU 764 Ca 0.03 2.18 0.00 0.00 -0.15 0.00 0.00 54.97 57.03 1iw0 s GLU 764 Cb -0.21 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.33 1iw0 s GLU 764 CO 0.06 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.34 1iw0 n GLY 765 N 2.27 1.79 3.22 -3.83 0.00 -1.26 -4.97 105.19 102.41 1iw0 n GLY 765 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1iw0 n GLY 765 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iw0 s ILE 766 N -2.36 4.79 -0.37 -0.61 1.01 -0.93 -4.87 121.20 117.86 1iw0 s ILE 766 Ca 0.00 -2.75 0.23 0.00 0.00 0.00 0.00 60.65 58.13 1iw0 s ILE 766 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1iw0 s ILE 766 CO 0.00 -0.97 1.11 0.00 0.00 0.00 0.00 174.94 175.08 1iw0 n ALA 767 N 3.68 2.70 -3.82 9.38 0.00 -1.26 -4.56 120.51 126.63 1iw0 n ALA 767 Ca 0.12 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 1iw0 n ALA 767 Cb 0.43 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 1iw0 n ALA 767 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iw0 s LYS 768 N -3.30 2.46 0.09 0.00 1.02 -1.26 -4.99 119.74 113.76 1iw0 s LYS 768 Ca 0.01 -2.84 -0.18 0.00 0.02 0.00 0.00 55.97 52.98 1iw0 s LYS 768 Cb 0.11 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.77 1iw0 s LYS 768 CO 0.77 -1.19 1.54 -0.07 -0.92 0.00 0.00 175.35 175.48 1iw0 h LEU 769 N 6.38 0.44 -0.51 3.17 -0.00 -2.00 -0.89 115.31 121.89 1iw0 h LEU 769 Ca 0.02 -0.29 -0.06 0.00 -0.00 0.00 0.00 57.88 57.55 1iw0 h LEU 769 Cb 0.87 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.39 1iw0 h LEU 769 CO 0.73 0.62 0.07 0.50 -0.00 0.00 0.00 178.44 180.36 1iw0 h LYS 770 N 0.24 0.85 -0.58 1.13 3.64 -1.97 -1.13 116.57 118.75 1iw0 h LYS 770 Ca 0.08 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1iw0 h LYS 770 Cb 0.39 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1iw0 h LYS 770 CO 0.01 0.85 0.36 0.28 -2.27 0.00 0.00 179.45 178.67 1iw0 h VAL 771 N 0.73 1.17 -0.44 2.00 2.07 -1.97 -0.53 116.25 119.27 1iw0 h VAL 771 Ca 0.15 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1iw0 h VAL 771 Cb 0.41 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1iw0 h VAL 771 CO 0.01 0.17 0.27 0.22 0.02 0.00 0.00 177.57 178.26 1iw0 h TYR 772 N 0.78 0.58 -0.56 1.57 3.20 -0.79 0.52 116.97 122.27 1iw0 h TYR 772 Ca 0.21 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 1iw0 h TYR 772 Cb -0.03 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1iw0 h TYR 772 CO -0.02 0.40 0.19 0.87 -1.64 0.00 0.00 178.16 177.96 1iw0 h LYS 773 N 0.59 0.82 -0.33 1.82 1.57 -0.90 0.74 116.57 120.88 1iw0 h LYS 773 Ca 0.16 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1iw0 h LYS 773 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1iw0 h LYS 773 CO -0.03 0.70 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.06 1iw0 h ASP 774 N 0.81 0.61 -0.30 0.86 3.32 -0.69 -1.67 116.42 119.35 1iw0 h ASP 774 Ca 0.19 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1iw0 h ASP 774 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1iw0 h ASP 774 CO -0.01 0.82 0.08 -0.33 -1.72 0.00 0.00 179.24 178.07 1iw0 h GLU 775 N 0.40 0.57 -0.16 3.56 5.08 -0.57 -1.02 114.58 122.44 1iw0 h GLU 775 Ca 0.09 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1iw0 h GLU 775 Cb 0.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1iw0 h GLU 775 CO 0.03 0.54 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.64 1iw0 h TYR 776 N 0.56 0.32 -0.83 4.33 5.03 -0.64 -0.95 116.97 124.79 1iw0 h TYR 776 Ca 0.13 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1iw0 h TYR 776 Cb 0.24 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.40 1iw0 h TYR 776 CO 0.01 0.54 0.43 0.00 -1.32 0.00 0.00 178.16 177.81 1iw0 h ARG 777 N 0.02 1.17 -0.57 1.82 3.08 -1.15 -0.97 114.38 117.77 1iw0 h ARG 777 Ca 0.04 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1iw0 h ARG 777 Cb 0.42 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1iw0 h ARG 777 CO 0.01 0.88 0.17 0.93 -1.07 0.00 0.00 179.97 180.88 1iw0 h GLU 778 N 1.17 0.87 -0.57 0.04 4.39 -1.03 0.31 114.58 119.75 1iw0 h GLU 778 Ca 0.29 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1iw0 h GLU 778 Cb 0.07 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1iw0 h GLU 778 CO -0.04 0.76 0.01 0.87 -1.16 0.00 0.00 179.01 179.45 1iw0 h LYS 779 N 0.84 1.01 -0.40 2.33 1.57 -0.35 -1.21 116.57 120.35 1iw0 h LYS 779 Ca 0.19 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1iw0 h LYS 779 Cb 0.26 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1iw0 h LYS 779 CO -0.01 1.00 0.23 -0.07 -0.57 0.00 0.00 179.45 180.03 1iw0 h LEU 780 N 0.90 0.37 -1.78 2.94 3.38 -0.76 -2.63 115.31 117.72 1iw0 h LEU 780 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1iw0 h LEU 780 Cb 0.54 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iw0 h LEU 780 CO 0.03 0.26 -0.05 0.78 0.09 0.00 0.00 178.44 179.55 1iw0 h ASN 781 N 0.47 0.07 -0.27 -0.43 2.35 -0.68 -2.63 115.58 114.46 1iw0 h ASN 781 Ca 0.16 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1iw0 h ASN 781 Cb 0.02 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1iw0 h ASN 781 CO -0.08 0.13 0.00 0.59 -1.65 0.00 0.00 177.43 176.42 1iw0 n ASN 782 N -4.44 2.78 -4.68 5.81 3.02 -0.48 -4.77 115.26 112.50 1iw0 n ASN 782 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1iw0 n ASN 782 Cb 0.16 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1iw0 n ASN 782 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1iw0 s LEU 783 N -1.59 4.28 -0.24 3.41 2.96 -0.99 -4.94 118.68 121.57 1iw0 s LEU 783 Ca 0.35 1.97 -0.29 0.00 -0.22 0.00 0.00 54.13 55.95 1iw0 s LEU 783 Cb 0.21 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.35 1iw0 s LEU 783 CO 0.30 -0.72 1.03 -0.70 -1.32 0.00 0.00 176.35 174.94 1iw0 s GLU 784 N 2.76 4.23 -0.01 1.98 2.56 -1.26 -4.99 118.70 123.96 1iw0 s GLU 784 Ca 0.61 1.30 0.02 0.00 0.00 0.00 0.00 54.97 56.90 1iw0 s GLU 784 Cb -0.28 -3.65 -0.00 0.00 2.00 0.00 0.00 34.13 32.20 1iw0 s GLU 784 CO 0.23 -0.65 -0.07 -0.51 -0.56 0.00 0.00 175.26 173.70 1iw0 s LEU 785 N 3.23 1.88 0.87 2.70 1.43 -1.26 -5.09 118.68 122.44 1iw0 s LEU 785 Ca 0.44 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1iw0 s LEU 785 Cb -0.15 -0.39 0.11 0.00 0.03 0.00 0.00 46.19 45.79 1iw0 s LEU 785 CO 0.07 0.06 1.10 -0.94 0.23 0.00 0.00 176.35 176.87 1iw0 s SER 786 N 0.04 3.82 0.19 2.29 1.04 -1.26 -4.79 113.70 115.04 1iw0 s SER 786 Ca -0.00 1.36 -0.12 0.00 0.48 0.00 0.00 55.95 57.67 1iw0 s SER 786 Cb -0.05 -2.05 0.22 0.00 0.10 0.00 0.00 66.02 64.23 1iw0 s SER 786 CO -0.00 -2.40 1.73 0.44 0.98 0.00 0.00 173.24 173.99 1iw0 h ASP 787 N -1.39 0.09 -0.70 7.02 3.32 -2.01 -0.02 116.42 122.74 1iw0 h ASP 787 Ca -0.49 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 1iw0 h ASP 787 Cb 1.28 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 1iw0 h ASP 787 CO 0.57 0.07 0.18 -0.33 -1.72 0.00 0.00 179.24 178.01 1iw0 h GLU 788 N 0.30 1.12 -0.39 3.56 3.07 -1.99 -1.09 114.58 119.17 1iw0 h GLU 788 Ca 0.27 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1iw0 h GLU 788 Cb 0.34 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1iw0 h GLU 788 CO -0.31 0.98 0.18 1.96 -1.40 0.00 0.00 179.01 180.42 1iw0 h GLN 789 N 1.06 0.56 -0.48 2.33 4.20 -1.77 -0.85 115.11 120.16 1iw0 h GLN 789 Ca 0.22 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1iw0 h GLN 789 Cb 0.36 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1iw0 h GLN 789 CO 0.00 0.51 0.21 -0.09 -0.67 0.00 0.00 178.83 178.80 1iw0 h ARG 790 N 0.48 0.71 -0.91 1.46 2.43 -0.81 -0.39 114.38 117.36 1iw0 h ARG 790 Ca 0.13 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1iw0 h ARG 790 Cb 0.14 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1iw0 h ARG 790 CO -0.01 0.61 0.50 1.49 -1.51 0.00 0.00 179.97 181.05 1iw0 h GLU 791 N 0.63 1.27 -0.50 0.20 4.81 -1.06 -0.47 114.58 119.46 1iw0 h GLU 791 Ca 0.16 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1iw0 h GLU 791 Cb 0.15 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1iw0 h GLU 791 CO -0.02 0.92 0.19 1.25 -0.73 0.00 0.00 179.01 180.62 1iw0 h HIS 792 N 1.27 0.77 -0.38 0.92 2.76 -0.76 -1.59 115.15 118.15 1iw0 h HIS 792 Ca 0.32 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1iw0 h HIS 792 Cb 0.02 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 1iw0 h HIS 792 CO 0.01 0.65 0.19 1.25 -1.30 0.00 0.00 177.93 178.74 1iw0 h LEU 793 N 0.67 0.48 -0.66 0.26 6.46 -0.60 -0.85 115.31 121.07 1iw0 h LEU 793 Ca 0.17 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1iw0 h LEU 793 Cb 0.22 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1iw0 h LEU 793 CO -0.01 0.45 0.15 -0.07 -0.62 0.00 0.00 178.44 178.35 1iw0 h LEU 794 N 0.47 1.00 -0.72 2.25 3.38 -0.91 -0.44 115.31 120.34 1iw0 h LEU 794 Ca 0.13 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1iw0 h LEU 794 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1iw0 h LEU 794 CO -0.02 0.98 0.13 0.11 0.09 0.00 0.00 178.44 179.73 1iw0 h LYS 795 N 0.98 1.11 -0.39 1.13 1.57 -1.13 -2.68 116.57 117.15 1iw0 h LYS 795 Ca 0.20 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1iw0 h LYS 795 Cb 0.37 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1iw0 h LYS 795 CO 0.00 1.00 -0.01 1.49 -0.57 0.00 0.00 179.45 181.36 1iw0 h GLU 796 N 1.04 0.63 -0.57 3.15 4.57 -0.33 -1.58 114.58 121.49 1iw0 h GLU 796 Ca 0.21 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1iw0 h GLU 796 Cb 0.41 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1iw0 h GLU 796 CO 0.01 0.66 0.12 0.00 -1.18 0.00 0.00 179.01 178.62 1iw0 h ALA 797 N 1.39 1.13 -0.31 2.92 0.00 -0.79 0.15 119.26 123.76 1iw0 h ALA 797 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iw0 h ALA 797 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1iw0 h ALA 797 CO 0.02 0.58 0.12 1.15 0.00 0.00 0.00 179.25 181.11 1iw0 h THR 798 N 0.86 1.18 -0.86 0.00 2.02 -1.21 -2.16 112.91 112.75 1iw0 h THR 798 Ca 0.18 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1iw0 h THR 798 Cb 0.34 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1iw0 h THR 798 CO 0.00 0.19 0.54 0.44 0.37 0.00 0.00 175.52 177.07 1iw0 h ASP 799 N 0.34 0.88 -0.88 4.18 3.32 -0.70 -2.29 116.42 121.28 1iw0 h ASP 799 Ca 0.10 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1iw0 h ASP 799 Cb 0.19 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1iw0 h ASP 799 CO -0.01 0.59 0.58 0.00 -1.72 0.00 0.00 179.24 178.68 1iw0 h ALA 800 N 1.38 1.11 -0.65 3.45 0.00 -0.53 -0.15 119.26 123.87 1iw0 h ALA 800 Ca 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1iw0 h ALA 800 Cb 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1iw0 h ALA 800 CO -0.14 0.53 0.32 0.74 0.00 0.00 0.00 179.25 180.69 1iw0 h PHE 801 N 1.19 0.93 -0.60 0.00 -1.00 -1.03 -1.98 116.94 114.46 1iw0 h PHE 801 Ca 0.32 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 61.07 1iw0 h PHE 801 Cb -0.13 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.11 1iw0 h PHE 801 CO -0.01 0.70 0.39 0.28 -1.61 0.00 0.00 178.31 178.06 1iw0 h VAL 802 N 0.89 1.15 -0.81 -0.55 2.07 -0.76 0.17 116.25 118.41 1iw0 h VAL 802 Ca 0.22 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1iw0 h VAL 802 Cb 0.11 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1iw0 h VAL 802 CO -0.03 0.15 0.52 -0.26 0.02 0.00 0.00 177.57 177.97 1iw0 h PHE 803 N 0.80 0.97 -0.50 1.57 0.05 -0.78 -1.64 116.94 117.42 1iw0 h PHE 803 Ca 0.22 0.03 -0.12 0.00 3.82 0.00 0.00 57.97 61.92 1iw0 h PHE 803 Cb -0.08 -0.32 -0.02 0.00 2.00 0.00 0.00 35.95 37.53 1iw0 h PHE 803 CO -0.03 0.56 -0.15 -0.91 -0.18 0.00 0.00 178.31 177.59 1iw0 h ASN 804 N 1.01 0.97 -0.63 2.17 2.35 -0.80 -1.76 115.58 118.89 1iw0 h ASN 804 Ca 0.32 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1iw0 h ASN 804 Cb 0.01 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.05 1iw0 h ASN 804 CO -0.11 1.11 0.31 0.45 -1.65 0.00 0.00 177.43 177.53 1iw0 h HIS 805 N 0.85 0.55 -0.31 1.19 3.86 -0.49 -2.58 115.15 118.21 1iw0 h HIS 805 Ca 0.12 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1iw0 h HIS 805 Cb 0.71 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1iw0 h HIS 805 CO 0.04 0.22 -0.23 1.96 0.86 0.00 0.00 177.93 180.79 1iw0 h GLN 806 N 0.55 0.59 -0.60 2.45 4.20 -0.98 -1.42 115.11 119.90 1iw0 h GLN 806 Ca 0.30 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1iw0 h GLN 806 Cb 0.28 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1iw0 h GLN 806 CO -0.23 0.77 0.35 0.28 -0.67 0.00 0.00 178.83 179.33 1iw0 h VAL 807 N 0.52 1.03 -0.53 -0.54 2.07 -0.95 -0.57 116.25 117.28 1iw0 h VAL 807 Ca 0.08 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1iw0 h VAL 807 Cb 0.67 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1iw0 h VAL 807 CO 0.05 0.12 0.13 -0.26 0.02 0.00 0.00 177.57 177.63 1iw0 h PHE 808 N 0.68 0.90 -0.52 1.57 0.04 -1.12 -1.45 116.94 117.04 1iw0 h PHE 808 Ca 0.25 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.94 1iw0 h PHE 808 Cb 0.08 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1iw0 h PHE 808 CO -0.07 0.78 0.30 0.00 -0.60 0.00 0.00 178.31 178.73 1iw0 h ALA 809 N 1.01 0.67 -0.71 2.45 0.00 -0.92 0.32 119.26 122.08 1iw0 h ALA 809 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1iw0 h ALA 809 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1iw0 h ALA 809 CO 0.00 -0.00 0.30 -0.44 0.00 0.00 0.00 179.25 179.11 1iw0 h ASP 810 N 0.60 0.96 -0.29 0.00 5.19 -0.88 -2.05 116.42 119.94 1iw0 h ASP 810 Ca 0.22 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 1iw0 h ASP 810 Cb 0.05 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1iw0 h ASP 810 CO -0.11 0.85 0.04 -0.07 -3.12 0.00 0.00 179.24 176.83 1iw0 h LEU 811 N 1.00 0.54 -0.78 1.55 3.38 -0.73 -2.05 115.31 118.22 1iw0 h LEU 811 Ca 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iw0 h LEU 811 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1iw0 h LEU 811 CO -0.02 0.59 0.00 1.23 0.09 0.00 0.00 178.44 180.32 1iw0 h GLY 812 N 0.84 0.00 -1.79 0.83 0.00 -0.54 -3.51 103.07 98.90 1iw0 h GLY 812 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1iw0 h GLY 812 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83