#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kmf s HIS 602 N 0.00 2.84 0.02 6.34 2.46 -1.26 -4.48 115.29 121.21 3kmf s HIS 602 Ca 0.00 -0.91 0.05 0.00 0.47 0.00 0.00 55.06 54.67 3kmf s HIS 602 Cb 0.00 -1.93 -0.02 0.00 -0.13 0.00 0.00 32.58 30.50 3kmf s HIS 602 CO 0.00 -0.42 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.20 3kmf s LEU 603 N 0.83 2.12 1.10 8.88 1.43 -1.26 -5.09 118.68 126.69 3kmf s LEU 603 Ca -0.04 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 3kmf s LEU 603 Cb -0.15 -0.66 0.26 0.00 0.03 0.00 0.00 46.19 45.67 3kmf s LEU 603 CO 0.00 0.09 1.24 0.42 0.23 0.00 0.00 176.35 178.33 3kmf s THR 604 N -0.65 1.78 0.16 5.49 -4.23 -1.26 -4.75 115.64 112.18 3kmf s THR 604 Ca 0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 3kmf s THR 604 Cb -0.07 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.06 3kmf s THR 604 CO 0.01 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.10 3kmf h PRO 605 N -2.19 0.88 -0.57 3.99 0.11 -2.01 -2.52 132.00 129.68 3kmf h PRO 605 Ca -0.44 -0.22 -0.10 0.00 0.11 0.00 0.00 66.00 65.36 3kmf h PRO 605 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kmf h PRO 605 CO 0.32 0.83 -0.03 1.05 -0.21 0.00 0.00 178.00 179.96 3kmf h GLU 606 N 0.77 1.03 0.78 1.05 9.09 -2.00 -2.96 114.58 122.34 3kmf h GLU 606 Ca 0.17 -0.34 -0.04 0.00 0.05 0.00 0.00 59.36 59.20 3kmf h GLU 606 Cb 0.36 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.38 3kmf h GLU 606 CO 0.00 1.03 -0.37 0.93 0.05 0.00 0.00 179.01 180.65 3kmf h GLU 607 N 0.92 -1.01 -0.98 1.06 5.08 -1.90 -2.62 114.58 115.14 3kmf h GLU 607 Ca 0.16 0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.78 3kmf h GLU 607 Cb 0.59 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 3kmf h GLU 607 CO 0.04 -0.66 0.61 -0.22 -1.00 0.00 0.00 179.01 177.78 3kmf h LYS 608 N -1.17 0.65 0.00 2.33 3.64 -1.52 0.23 116.57 120.73 3kmf h LYS 608 Ca -0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3kmf h LYS 608 Cb 0.82 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3kmf h LYS 608 CO 0.18 0.43 -0.07 1.03 -2.27 0.00 0.00 179.45 178.75 3kmf h SER 609 N 0.67 0.00 0.21 4.20 0.87 -1.47 -2.04 113.55 115.99 3kmf h SER 609 Ca 0.54 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.78 3kmf h SER 609 Cb 0.97 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.95 3kmf h SER 609 CO -0.31 0.07 -1.52 0.00 -0.53 0.00 0.00 176.83 174.54 3kmf h ALA 610 N 1.93 -0.00 -0.51 6.23 0.00 -0.21 -2.98 119.26 123.71 3kmf h ALA 610 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 53.82 3kmf h ALA 610 Cb 0.62 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kmf h ALA 610 CO 0.01 0.80 -0.13 0.28 0.00 0.00 0.00 179.25 180.21 3kmf h VAL 611 N 0.04 1.27 0.20 0.00 2.07 -0.99 -3.19 116.25 115.65 3kmf h VAL 611 Ca -0.29 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3kmf h VAL 611 Cb 2.06 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 3kmf h VAL 611 CO 0.21 0.45 -0.10 0.74 0.02 0.00 0.00 177.57 178.89 3kmf h THR 612 N 0.86 0.00 -0.83 2.57 2.02 -1.51 -2.57 112.91 113.46 3kmf h THR 612 Ca 0.13 -0.47 0.29 0.00 0.77 0.00 0.00 66.41 67.13 3kmf h THR 612 Cb 0.70 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.96 3kmf h THR 612 CO 0.05 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.19 3kmf n ALA 613 N -2.50 0.65 -0.04 6.16 0.00 -1.13 0.22 120.51 123.88 3kmf n ALA 613 Ca -0.03 0.86 -0.14 0.00 0.00 0.00 0.00 53.44 54.12 3kmf n ALA 613 Cb 0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 3kmf n ALA 613 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kmf h LEU 614 N 0.00 0.36 -1.22 0.00 5.85 -1.64 -3.21 115.31 115.45 3kmf h LEU 614 Ca 0.61 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kmf h LEU 614 Cb 1.48 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3kmf h LEU 614 CO -0.70 0.91 0.00 1.87 -0.34 0.00 0.00 178.44 180.18 3kmf n TRP 615 N -4.48 0.80 0.22 1.25 -0.00 0.13 -1.06 117.44 114.30 3kmf n TRP 615 Ca -0.08 0.38 0.10 0.00 -0.00 0.00 0.00 57.50 57.90 3kmf n TRP 615 Cb 0.46 -1.11 0.43 0.00 -0.00 0.00 0.00 31.31 31.09 3kmf n TRP 615 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3kmf h GLY 616 N 0.84 0.00 -4.71 5.87 0.00 -1.29 -3.20 103.07 100.57 3kmf h GLY 616 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 3kmf h GLY 616 CO 0.00 0.00 0.39 0.58 0.00 0.00 0.00 176.54 177.51 3kmf n LYS 617 N -3.34 3.00 -4.21 4.80 2.85 -0.22 -4.96 118.16 116.08 3kmf n LYS 617 Ca 0.00 -3.85 -0.24 0.00 -1.05 0.00 0.00 58.31 53.17 3kmf n LYS 617 Cb 0.45 -2.27 -0.17 0.00 -0.65 0.00 0.00 35.03 32.40 3kmf n LYS 617 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3kmf s VAL 618 N -5.19 0.91 -0.73 0.58 1.01 -1.21 -5.07 120.40 110.70 3kmf s VAL 618 Ca 0.52 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 3kmf s VAL 618 Cb 0.43 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.94 3kmf s VAL 618 CO -0.29 0.32 1.31 0.21 0.00 0.00 0.00 175.10 176.65 3kmf s ASN 619 N 1.15 6.12 0.43 3.32 3.84 -1.26 -4.85 114.94 123.70 3kmf s ASN 619 Ca -0.06 -0.38 0.29 0.00 0.21 0.00 0.00 52.86 52.92 3kmf s ASN 619 Cb -0.14 -2.56 1.56 0.00 -0.55 0.00 0.00 41.25 39.57 3kmf s ASN 619 CO -0.02 -1.86 1.89 0.58 -2.79 0.00 0.00 177.10 174.91 3kmf h VAL 620 N 6.08 0.00 0.00 -5.21 2.07 -1.97 -1.45 116.25 115.78 3kmf h VAL 620 Ca -0.28 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kmf h VAL 620 Cb 1.06 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3kmf h VAL 620 CO 1.27 0.00 -1.00 0.47 0.02 0.00 0.00 177.57 178.33 3kmf n ASP 621 N -2.53 0.63 -0.08 0.57 8.00 -1.26 -3.29 116.55 118.60 3kmf n ASP 621 Ca -0.02 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.23 3kmf n ASP 621 Cb 0.06 0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 41.72 3kmf n ASP 621 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kmf n GLU 622 N -2.14 0.65 -0.18 -1.24 -0.58 -0.59 -3.58 120.64 112.97 3kmf n GLU 622 Ca 0.01 0.34 -0.10 0.00 -0.42 0.00 0.00 57.16 56.99 3kmf n GLU 622 Cb 0.47 -1.64 0.01 0.00 -0.57 0.00 0.00 31.44 29.70 3kmf n GLU 622 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kmf h VAL 623 N -0.47 1.27 -0.59 2.62 2.07 -1.62 -2.07 116.25 117.46 3kmf h VAL 623 Ca -0.48 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 65.71 3kmf h VAL 623 Cb 1.71 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3kmf h VAL 623 CO -0.13 0.44 0.07 1.23 0.02 0.00 0.00 177.57 179.19 3kmf h GLY 624 N 0.87 1.07 0.86 2.17 0.00 -1.76 0.86 103.07 107.14 3kmf h GLY 624 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3kmf h GLY 624 CO 0.05 0.68 -0.01 -1.33 0.00 0.00 0.00 176.54 175.93 3kmf h GLY 625 N 0.89 -0.02 0.65 4.60 0.00 -1.60 -2.47 103.07 105.11 3kmf h GLY 625 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3kmf h GLY 625 CO 0.02 -0.01 -0.43 0.83 0.00 0.00 0.00 176.54 176.95 3kmf h GLU 626 N -0.17 -0.90 -0.62 4.80 4.39 -1.24 -2.72 114.58 118.12 3kmf h GLU 626 Ca -0.00 0.06 0.13 0.00 0.34 0.00 0.00 59.36 59.89 3kmf h GLU 626 Cb 0.16 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 28.90 3kmf h GLU 626 CO 0.00 -0.60 -0.01 0.00 -1.16 0.00 0.00 179.01 177.24 3kmf h ALA 627 N -0.65 0.60 -0.04 3.43 0.00 -0.82 -1.05 119.26 120.72 3kmf h ALA 627 Ca -0.06 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3kmf h ALA 627 Cb 0.80 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kmf h ALA 627 CO -0.02 -0.40 -0.38 1.25 0.00 0.00 0.00 179.25 179.70 3kmf h LEU 628 N 0.10 0.08 0.29 0.00 5.85 -1.42 -2.03 115.31 118.19 3kmf h LEU 628 Ca 0.32 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3kmf h LEU 628 Cb 0.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kmf h LEU 628 CO -0.55 0.46 -0.14 1.23 -0.34 0.00 0.00 178.44 179.10 3kmf h GLY 629 N 1.17 -0.41 0.86 3.75 0.00 -0.90 -2.78 103.07 104.76 3kmf h GLY 629 Ca 0.01 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.57 3kmf h GLY 629 CO 0.05 -0.15 0.53 3.21 0.00 0.00 0.00 176.54 180.18 3kmf h ARG 630 N -0.78 0.78 -0.30 4.80 3.08 -1.27 -0.48 114.38 120.22 3kmf h ARG 630 Ca -0.04 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.00 3kmf h ARG 630 Cb 0.51 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 3kmf h ARG 630 CO 0.07 0.52 0.06 1.25 -1.07 0.00 0.00 179.97 180.79 3kmf h LEU 631 N 0.81 0.00 -1.40 3.04 5.85 -1.32 0.36 115.31 122.65 3kmf h LEU 631 Ca 0.37 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 3kmf h LEU 631 Cb 0.36 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3kmf h LEU 631 CO -0.14 0.04 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.75 3kmf h LEU 632 N 0.16 0.16 0.00 2.25 3.38 -0.92 -1.64 115.31 118.71 3kmf h LEU 632 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kmf h LEU 632 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kmf h LEU 632 CO -0.19 0.36 -0.07 0.58 0.09 0.00 0.00 178.44 179.22 3kmf h VAL 633 N 0.16 0.00 -0.14 1.22 2.07 -0.25 -3.26 116.25 116.05 3kmf h VAL 633 Ca 0.03 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3kmf h VAL 633 Cb 0.42 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3kmf h VAL 633 CO 0.03 0.00 0.02 0.58 0.02 0.00 0.00 177.57 178.22 3kmf h VAL 634 N -0.95 1.08 -2.74 2.57 2.07 -0.42 -3.28 116.25 114.58 3kmf h VAL 634 Ca 0.00 -0.28 -0.61 0.00 0.82 0.00 0.00 66.70 66.63 3kmf h VAL 634 Cb 0.07 0.95 -0.40 0.00 -1.52 0.00 0.00 31.29 30.39 3kmf h VAL 634 CO 0.00 0.10 -0.75 -1.22 0.02 0.00 0.00 177.57 175.72 3kmf n TYR 635 N -4.44 1.54 -0.20 1.57 4.01 -0.62 -5.01 117.16 114.01 3kmf n TYR 635 Ca -0.01 -3.90 0.01 0.00 -0.16 0.00 0.00 57.90 53.85 3kmf n TYR 635 Cb 0.14 -0.27 0.11 0.00 -0.31 0.00 0.00 39.34 39.01 3kmf n TYR 635 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3kmf h PRO 636 N 5.39 0.23 0.00 -0.72 0.13 -1.63 -2.61 132.00 132.79 3kmf h PRO 636 Ca 0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3kmf h PRO 636 Cb 0.81 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3kmf h PRO 636 CO 0.58 0.15 0.45 0.11 -0.23 0.00 0.00 178.00 179.06 3kmf h TRP 637 N 0.23 0.00 0.00 1.56 0.09 -1.93 0.62 115.95 116.53 3kmf h TRP 637 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.31 3kmf h TRP 637 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.74 3kmf h TRP 637 CO -0.27 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.51 3kmf n THR 638 N -2.06 0.00 1.25 0.12 -2.24 -0.98 -2.91 114.28 107.46 3kmf n THR 638 Ca -0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3kmf n THR 638 Cb 0.46 -0.46 0.66 0.00 -2.10 0.00 0.00 70.33 68.90 3kmf n THR 638 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kmf n GLN 639 N -0.95 0.30 -0.25 -0.78 6.02 0.22 -3.93 117.38 118.01 3kmf n GLN 639 Ca 0.21 -0.04 -0.05 0.00 -0.01 0.00 0.00 57.00 57.12 3kmf n GLN 639 Cb 0.10 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.92 3kmf n GLN 639 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3kmf h ARG 640 N 0.09 0.88 0.00 -1.09 0.11 -1.74 -2.64 114.38 109.98 3kmf h ARG 640 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3kmf h ARG 640 Cb 0.38 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3kmf h ARG 640 CO 0.00 0.58 0.00 1.19 0.10 0.00 0.00 179.97 181.84 3kmf n PHE 641 N -4.63 0.00 -2.99 4.08 3.01 -1.25 -4.14 117.46 111.53 3kmf n PHE 641 Ca 0.06 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.32 3kmf n PHE 641 Cb 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 3kmf n PHE 641 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3kmf n PHE 642 N -0.94 1.87 -0.13 1.38 3.01 -0.99 -4.90 117.46 116.76 3kmf n PHE 642 Ca 0.15 -3.71 -0.11 0.00 1.01 0.00 0.00 57.45 54.79 3kmf n PHE 642 Cb 0.07 -0.41 -0.02 0.00 -0.01 0.00 0.00 39.48 39.11 3kmf n PHE 642 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3kmf h GLU 643 N 2.96 0.77 -0.43 -1.08 4.39 -1.74 -3.16 114.58 116.30 3kmf h GLU 643 Ca 0.10 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3kmf h GLU 643 Cb 0.83 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3kmf h GLU 643 CO 0.64 0.91 0.00 -1.13 -1.16 0.00 0.00 179.01 178.27 3kmf n SER 644 N -4.33 0.43 0.02 1.42 3.41 -1.26 -3.69 113.62 109.62 3kmf n SER 644 Ca -0.01 -1.82 0.12 0.00 -0.26 0.00 0.00 58.87 56.89 3kmf n SER 644 Cb 0.37 -0.21 0.14 0.00 -0.26 0.00 0.00 64.21 64.24 3kmf n SER 644 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kmf n PHE 645 N -0.25 0.18 0.00 7.33 0.99 -1.19 -5.07 117.46 119.46 3kmf n PHE 645 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 3kmf n PHE 645 Cb 0.11 -0.36 0.00 0.00 -1.00 0.00 0.00 39.48 38.23 3kmf n PHE 645 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kmf n GLY 646 N 1.43 0.78 3.65 1.37 0.00 -1.24 -4.72 105.19 106.45 3kmf n GLY 646 Ca 0.04 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3kmf n GLY 646 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kmf s ASP 647 N -4.00 6.82 0.00 1.61 3.68 -1.26 -4.88 116.67 118.63 3kmf s ASP 647 Ca 0.00 1.01 0.00 0.00 2.13 0.00 0.00 52.55 55.69 3kmf s ASP 647 Cb 0.00 -2.42 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 3kmf s ASP 647 CO 0.00 -0.46 0.11 0.18 0.13 0.00 0.00 175.17 175.13 3kmf n LEU 648 N 5.76 0.22 -0.21 -1.34 4.77 -1.26 -3.96 117.00 120.98 3kmf n LEU 648 Ca 0.04 -0.23 0.02 0.00 -0.03 0.00 0.00 56.01 55.81 3kmf n LEU 648 Cb 0.48 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.70 3kmf n LEU 648 CO 0.47 0.06 0.92 0.77 -1.33 0.00 0.00 177.39 178.27 3kmf h SER 649 N 0.00 -0.00 -2.51 -1.43 4.64 -1.98 -3.42 113.55 108.85 3kmf h SER 649 Ca 0.00 0.12 -0.56 0.00 -0.47 0.00 0.00 61.79 60.89 3kmf h SER 649 Cb 0.36 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 3kmf h SER 649 CO 0.00 -0.01 -0.59 0.42 -0.87 0.00 0.00 176.83 175.78 3kmf s THR 650 N -6.09 4.09 0.33 2.95 -4.23 -1.26 -5.01 115.64 106.42 3kmf s THR 650 Ca -0.13 -1.41 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 3kmf s THR 650 Cb 0.19 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 71.02 3kmf s THR 650 CO 0.74 -0.23 1.83 -0.65 -0.54 0.00 0.00 174.62 175.78 3kmf h PRO 651 N 2.12 0.00 -0.23 3.99 0.11 -2.00 -1.77 132.00 134.22 3kmf h PRO 651 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3kmf h PRO 651 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kmf h PRO 651 CO 0.61 0.34 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.21 3kmf h ASP 652 N 0.00 0.34 0.18 -2.05 3.32 -1.95 -1.86 116.42 114.40 3kmf h ASP 652 Ca -0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3kmf h ASP 652 Cb 0.68 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3kmf h ASP 652 CO 0.04 0.48 -0.09 0.00 -1.72 0.00 0.00 179.24 177.96 3kmf h ALA 653 N 1.57 -0.37 -0.86 3.45 0.00 -1.74 -2.95 119.26 118.35 3kmf h ALA 653 Ca 0.07 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.13 3kmf h ALA 653 Cb 0.38 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.10 3kmf h ALA 653 CO 0.02 -0.35 -0.13 0.28 0.00 0.00 0.00 179.25 179.07 3kmf n VAL 654 N -3.74 -0.36 0.21 0.00 0.31 -0.73 0.29 118.33 114.31 3kmf n VAL 654 Ca -0.03 1.94 0.09 0.00 -0.01 0.00 0.00 64.34 66.33 3kmf n VAL 654 Cb 0.09 -2.75 0.39 0.00 -0.91 0.00 0.00 33.84 30.67 3kmf n VAL 654 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3kmf h MET 655 N 0.00 0.00 -0.04 5.55 2.07 -1.44 -3.06 114.93 118.01 3kmf h MET 655 Ca 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.09 3kmf h MET 655 Cb 0.80 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.53 3kmf h MET 655 CO -0.86 0.27 0.00 0.41 1.07 0.00 0.00 176.91 177.80 3kmf n GLY 656 N 0.28 0.89 3.67 8.32 0.00 0.14 -4.92 105.19 113.58 3kmf n GLY 656 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3kmf n GLY 656 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kmf s ASN 657 N -1.88 6.85 0.23 1.61 3.84 0.47 -4.93 114.94 121.14 3kmf s ASN 657 Ca 0.27 1.97 -0.03 0.00 0.21 0.00 0.00 52.86 55.28 3kmf s ASN 657 Cb 0.19 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.59 3kmf s ASN 657 CO 0.28 -0.78 1.68 1.55 -2.79 0.00 0.00 177.10 177.04 3kmf h PRO 658 N 8.42 0.77 -0.52 0.43 0.13 -1.90 -2.56 132.00 136.75 3kmf h PRO 658 Ca -0.34 -0.27 -0.08 0.00 -0.87 0.00 0.00 66.00 64.44 3kmf h PRO 658 Cb 1.15 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3kmf h PRO 658 CO 0.94 0.87 0.02 0.87 -0.23 0.00 0.00 178.00 180.47 3kmf h LYS 659 N 0.69 0.87 -0.23 0.86 1.57 -1.92 0.32 116.57 118.73 3kmf h LYS 659 Ca 0.11 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3kmf h LYS 659 Cb 0.63 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3kmf h LYS 659 CO 0.04 0.86 -0.44 0.28 -0.57 0.00 0.00 179.45 179.62 3kmf h VAL 660 N 0.81 1.30 -0.00 0.50 2.07 -1.85 -1.68 116.25 117.40 3kmf h VAL 660 Ca 0.16 -1.63 -0.17 0.00 0.82 0.00 0.00 66.70 65.88 3kmf h VAL 660 Cb 0.46 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3kmf h VAL 660 CO 0.02 0.51 -0.78 0.50 0.02 0.00 0.00 177.57 177.84 3kmf h LYS 661 N 0.46 0.06 -0.29 1.57 3.64 -1.11 -2.39 116.57 118.51 3kmf h LYS 661 Ca 0.03 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 3kmf h LYS 661 Cb 0.95 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3kmf h LYS 661 CO 0.09 0.80 -0.28 0.00 -2.27 0.00 0.00 179.45 177.79 3kmf h ALA 662 N 1.18 0.42 0.72 5.00 0.00 -0.19 -2.72 119.26 123.67 3kmf h ALA 662 Ca -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3kmf h ALA 662 Cb 1.37 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.07 3kmf h ALA 662 CO 0.11 0.43 -0.35 1.25 0.00 0.00 0.00 179.25 180.69 3kmf h HIS 663 N 0.44 -0.90 -1.03 0.00 -0.00 -1.28 -2.51 115.15 109.87 3kmf h HIS 663 Ca 0.05 -0.02 0.30 0.00 -0.00 0.00 0.00 60.37 60.70 3kmf h HIS 663 Cb 0.85 0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 28.51 3kmf h HIS 663 CO 0.07 -0.56 0.97 0.78 -0.00 0.00 0.00 177.93 179.19 3kmf h GLY 664 N -1.06 0.00 1.06 5.26 0.00 -1.50 0.99 103.07 107.82 3kmf h GLY 664 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 3kmf h GLY 664 CO 0.16 0.00 -0.25 1.70 0.00 0.00 0.00 176.54 178.15 3kmf h LYS 665 N 0.00 0.87 0.09 4.80 3.64 -1.12 -2.71 116.57 122.14 3kmf h LYS 665 Ca 0.49 -0.41 -0.27 0.00 -1.27 0.00 0.00 60.65 59.19 3kmf h LYS 665 Cb 2.43 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 34.27 3kmf h LYS 665 CO -0.01 1.05 -1.11 0.87 -2.27 0.00 0.00 179.45 177.99 3kmf h LYS 666 N 0.69 0.60 0.72 1.90 1.57 0.12 -3.05 116.57 119.11 3kmf h LYS 666 Ca 0.08 -0.76 -0.03 0.00 -1.87 0.00 0.00 60.65 58.07 3kmf h LYS 666 Cb 0.83 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3kmf h LYS 666 CO 0.07 1.34 -0.40 0.28 -0.57 0.00 0.00 179.45 180.17 3kmf h VAL 667 N 0.22 0.19 0.00 0.50 2.07 -1.31 -1.10 116.25 116.81 3kmf h VAL 667 Ca -0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kmf h VAL 667 Cb 1.80 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3kmf h VAL 667 CO 0.21 0.00 0.00 0.25 0.02 0.00 0.00 177.57 178.05 3kmf h LEU 668 N -1.04 0.00 0.06 2.57 5.85 -1.63 -1.58 115.31 119.54 3kmf h LEU 668 Ca -0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3kmf h LEU 668 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3kmf h LEU 668 CO 0.13 0.00 -0.03 1.23 -0.34 0.00 0.00 178.44 179.43 3kmf h GLY 669 N 0.68 -0.08 2.00 3.75 0.00 -1.25 -2.71 103.07 105.45 3kmf h GLY 669 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3kmf h GLY 669 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.51 3kmf h ALA 670 N -0.18 1.00 0.01 3.60 0.00 -0.45 -1.49 119.26 121.75 3kmf h ALA 670 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3kmf h ALA 670 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kmf h ALA 670 CO 0.01 0.00 -0.63 0.35 0.00 0.00 0.00 179.25 178.99 3kmf h PHE 671 N 0.00 0.61 -0.26 0.00 3.57 -1.20 -3.26 116.94 116.39 3kmf h PHE 671 Ca 0.00 -0.34 -0.03 0.00 3.53 0.00 0.00 57.97 61.13 3kmf h PHE 671 Cb 0.04 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3kmf h PHE 671 CO 0.00 1.17 0.04 0.77 -2.23 0.00 0.00 178.31 178.06 3kmf h SER 672 N -0.13 0.35 0.14 0.41 0.02 -0.95 -2.13 113.55 111.27 3kmf h SER 672 Ca -0.08 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3kmf h SER 672 Cb 1.35 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 3kmf h SER 672 CO 0.12 0.37 -0.10 0.44 -1.14 0.00 0.00 176.83 176.53 3kmf h ASP 673 N 0.38 0.00 0.88 3.07 5.19 -1.55 -1.32 116.42 123.07 3kmf h ASP 673 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3kmf h ASP 673 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3kmf h ASP 673 CO -0.00 0.10 -0.79 1.23 -3.12 0.00 0.00 179.24 176.66 3kmf h GLY 674 N 0.38 0.00 2.00 2.75 0.00 -1.46 -3.22 103.07 103.52 3kmf h GLY 674 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kmf h GLY 674 CO 0.01 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.55 3kmf h LEU 675 N 0.00 0.00 0.00 3.11 5.85 -0.96 -0.76 115.31 122.55 3kmf h LEU 675 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 3kmf h LEU 675 Cb 0.84 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3kmf h LEU 675 CO 0.00 0.00 -1.06 0.00 -0.34 0.00 0.00 178.44 177.04 3kmf h ALA 676 N 2.03 0.49 -2.10 1.25 0.00 -1.54 -3.37 119.26 116.01 3kmf h ALA 676 Ca 0.00 -0.93 -0.64 0.00 0.00 0.00 0.00 54.91 53.34 3kmf h ALA 676 Cb 0.42 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.81 3kmf h ALA 676 CO 0.00 1.19 -0.30 0.72 0.00 0.00 0.00 179.25 180.87 3kmf n HIS 677 N -3.26 3.62 -0.12 0.00 8.25 -0.30 -4.87 115.22 118.54 3kmf n HIS 677 Ca -0.03 -3.75 -0.11 0.00 -0.26 0.00 0.00 57.72 53.57 3kmf n HIS 677 Cb 0.92 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3kmf n HIS 677 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kmf h LEU 678 N 3.74 0.66 -0.72 2.41 3.38 -1.71 -3.02 115.31 120.04 3kmf h LEU 678 Ca 0.21 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3kmf h LEU 678 Cb 0.54 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3kmf h LEU 678 CO 0.92 0.85 0.02 0.47 0.09 0.00 0.00 178.44 180.79 3kmf n ASP 679 N -4.44 0.28 -3.08 -0.43 9.92 -1.26 -2.42 116.55 115.13 3kmf n ASP 679 Ca -0.02 0.62 -0.17 0.00 -0.53 0.00 0.00 54.79 54.69 3kmf n ASP 679 Cb 0.32 -0.65 -0.01 0.00 -0.64 0.00 0.00 41.12 40.14 3kmf n ASP 679 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3kmf n ASN 680 N -1.88 -0.13 0.11 -2.24 4.05 -1.14 -4.70 115.26 109.33 3kmf n ASN 680 Ca -0.01 -3.07 -0.03 0.00 0.45 0.00 0.00 54.58 51.92 3kmf n ASN 680 Cb 0.04 -0.03 0.14 0.00 1.23 0.00 0.00 39.78 41.17 3kmf n ASN 680 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3kmf h LEU 681 N 3.32 0.15 -0.12 1.20 3.38 -1.58 -2.88 115.31 118.79 3kmf h LEU 681 Ca 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kmf h LEU 681 Cb 0.97 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3kmf h LEU 681 CO 0.42 0.72 0.01 0.11 0.09 0.00 0.00 178.44 179.79 3kmf h LYS 682 N 0.10 0.20 0.00 1.13 6.56 -1.91 -2.97 116.57 119.68 3kmf h LYS 682 Ca -0.01 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 3kmf h LYS 682 Cb 1.10 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 3kmf h LYS 682 CO 0.09 0.43 0.00 0.78 -2.06 0.00 0.00 179.45 178.69 3kmf h GLY 683 N -0.05 0.00 2.00 3.86 0.00 -1.94 -2.96 103.07 103.97 3kmf h GLY 683 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 3kmf h GLY 683 CO 0.00 0.00 -0.81 -0.84 0.00 0.00 0.00 176.54 174.89 3kmf h THR 684 N 0.00 1.43 -0.23 4.70 2.02 -1.43 -3.29 112.91 116.10 3kmf h THR 684 Ca 0.00 -2.93 -0.04 0.00 0.77 0.00 0.00 66.41 64.21 3kmf h THR 684 Cb 0.67 2.65 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 3kmf h THR 684 CO 0.00 0.79 -0.03 0.49 0.37 0.00 0.00 175.52 177.15 3kmf n PHE 685 N -3.35 0.80 -0.33 3.16 3.01 -1.13 -4.73 117.46 114.89 3kmf n PHE 685 Ca 0.00 -1.08 -0.03 0.00 1.01 0.00 0.00 57.45 57.35 3kmf n PHE 685 Cb 0.84 -0.33 0.09 0.00 -0.01 0.00 0.00 39.48 40.08 3kmf n PHE 685 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kmf h ALA 686 N 1.28 1.13 -0.22 4.37 0.00 -1.60 -1.08 119.26 123.14 3kmf h ALA 686 Ca 0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3kmf h ALA 686 Cb 1.41 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kmf h ALA 686 CO 0.22 0.52 -0.60 1.15 0.00 0.00 0.00 179.25 180.54 3kmf h THR 687 N 1.20 1.29 -0.30 0.00 2.02 -1.87 -3.10 112.91 112.16 3kmf h THR 687 Ca 0.33 -1.82 -0.18 0.00 0.77 0.00 0.00 66.41 65.51 3kmf h THR 687 Cb -0.13 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3kmf h THR 687 CO -0.07 0.58 -0.53 -0.07 0.37 0.00 0.00 175.52 175.80 3kmf h LEU 688 N 0.56 0.96 0.05 2.58 3.38 -1.84 -2.42 115.31 118.57 3kmf h LEU 688 Ca -0.00 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.49 3kmf h LEU 688 Cb 1.19 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3kmf h LEU 688 CO 0.12 1.30 -0.42 -1.28 0.09 0.00 0.00 178.44 178.26 3kmf h SER 689 N 0.67 -1.27 -0.38 -0.43 0.87 -1.27 0.52 113.55 112.27 3kmf h SER 689 Ca 0.02 0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.81 3kmf h SER 689 Cb 1.13 0.49 -0.08 0.00 -0.44 0.00 0.00 62.40 63.50 3kmf h SER 689 CO 0.12 -0.47 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.45 3kmf h GLU 690 N -0.61 -0.10 -0.21 2.24 5.08 -1.52 -1.84 114.58 117.62 3kmf h GLU 690 Ca 0.03 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3kmf h GLU 690 Cb 0.67 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 3kmf h GLU 690 CO -0.29 -0.06 -0.21 1.25 -1.00 0.00 0.00 179.01 178.70 3kmf h LEU 691 N -0.10 -0.67 -1.34 1.33 5.85 -0.85 0.46 115.31 119.98 3kmf h LEU 691 Ca 0.19 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 3kmf h LEU 691 Cb 0.39 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3kmf h LEU 691 CO -0.44 -0.25 0.31 0.45 -0.34 0.00 0.00 178.44 178.16 3kmf h HIS 692 N -0.23 0.74 0.16 1.25 3.86 -0.38 -1.56 115.15 118.99 3kmf h HIS 692 Ca 0.13 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3kmf h HIS 692 Cb 0.42 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3kmf h HIS 692 CO -0.36 0.51 -0.08 0.00 0.86 0.00 0.00 177.93 178.87 3kmf h ASP 694 N -1.04 -0.59 0.53 0.00 3.32 -0.99 -3.02 116.42 114.63 3kmf h ASP 694 Ca -0.02 0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 3kmf h ASP 694 Cb 0.16 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3kmf h ASP 694 CO 0.04 -0.28 -1.55 0.11 -1.72 0.00 0.00 179.24 175.84 3kmf h LYS 695 N -0.96 0.12 0.00 3.56 1.57 -1.66 -3.39 116.57 115.81 3kmf h LYS 695 Ca -0.07 -0.21 -0.26 0.00 -1.87 0.00 0.00 60.65 58.25 3kmf h LYS 695 Cb 0.53 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3kmf h LYS 695 CO 0.12 0.89 -1.54 -0.07 -0.57 0.00 0.00 179.45 178.27 3kmf h LEU 696 N 0.03 0.00 -1.25 2.94 3.38 -1.34 -3.49 115.31 115.58 3kmf h LEU 696 Ca -0.24 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.34 3kmf h LEU 696 Cb 1.97 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.84 3kmf h LEU 696 CO 0.12 0.91 -0.74 1.41 0.09 0.00 0.00 178.44 180.23 3kmf n HIS 697 N -3.06 -2.45 -3.35 1.13 8.25 0.66 -4.97 115.22 111.43 3kmf n HIS 697 Ca -0.13 0.95 -0.44 0.00 -0.26 0.00 0.00 57.72 57.84 3kmf n HIS 697 Cb 0.99 -4.82 -0.08 0.00 1.12 0.00 0.00 29.99 27.20 3kmf n HIS 697 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kmf s VAL 698 N -3.38 5.16 -0.44 1.59 1.01 -0.59 -5.02 120.40 118.73 3kmf s VAL 698 Ca 0.33 -0.88 -0.46 0.00 0.00 0.00 0.00 61.98 60.97 3kmf s VAL 698 Cb -0.15 -4.13 -0.20 0.00 0.00 0.00 0.00 36.38 31.90 3kmf s VAL 698 CO 0.76 -0.59 1.56 -0.67 0.00 0.00 0.00 175.10 176.16 3kmf n ASP 699 N 5.40 1.16 -0.18 3.32 4.64 -1.26 -4.76 116.55 124.86 3kmf n ASP 699 Ca -0.11 1.18 0.28 0.00 -1.38 0.00 0.00 54.79 54.76 3kmf n ASP 699 Cb 0.44 -0.90 0.71 0.00 -1.04 0.00 0.00 41.12 40.34 3kmf n ASP 699 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3kmf h PRO 700 N 4.92 0.03 -1.28 -0.67 0.11 -1.97 -1.51 132.00 131.63 3kmf h PRO 700 Ca -0.45 -0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.03 3kmf h PRO 700 Cb 1.37 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.40 3kmf h PRO 700 CO 0.95 0.02 0.88 1.49 -0.21 0.00 0.00 178.00 181.13 3kmf h GLU 701 N 0.03 0.11 0.00 1.05 4.57 -1.99 0.21 114.58 118.57 3kmf h GLU 701 Ca 0.43 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 3kmf h GLU 701 Cb 1.67 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 3kmf h GLU 701 CO -0.02 0.07 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 3kmf n ASN 702 N -4.36 0.00 0.10 1.04 3.02 -0.57 -1.03 115.26 113.46 3kmf n ASN 702 Ca 0.30 0.37 0.06 0.00 -0.03 0.00 0.00 54.58 55.28 3kmf n ASN 702 Cb 1.30 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 40.03 3kmf n ASN 702 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3kmf h PHE 703 N 0.00 0.00 0.03 3.10 0.04 -0.79 -3.07 116.94 116.25 3kmf h PHE 703 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 3kmf h PHE 703 Cb 0.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3kmf h PHE 703 CO 0.00 0.29 -1.05 0.00 -0.60 0.00 0.00 178.31 176.95 3kmf h ARG 704 N 0.00 0.07 -0.01 1.51 3.08 -1.18 -2.61 114.38 115.24 3kmf h ARG 704 Ca -0.06 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 3kmf h ARG 704 Cb 1.27 0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.37 3kmf h ARG 704 CO 0.03 1.05 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.55 3kmf h LEU 705 N 0.02 0.32 -0.61 3.04 3.38 -1.59 -3.16 115.31 116.72 3kmf h LEU 705 Ca -0.04 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 57.18 3kmf h LEU 705 Cb 1.80 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 3kmf h LEU 705 CO 0.15 1.04 0.39 0.25 0.09 0.00 0.00 178.44 180.36 3kmf h LEU 706 N -0.37 0.67 -1.99 1.67 5.85 -1.63 -2.17 115.31 117.34 3kmf h LEU 706 Ca -0.04 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.77 3kmf h LEU 706 Cb 1.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3kmf h LEU 706 CO 0.07 0.48 0.28 1.23 -0.34 0.00 0.00 178.44 180.16 3kmf h GLY 707 N 0.80 0.01 1.46 3.75 0.00 -1.52 -0.30 103.07 107.27 3kmf h GLY 707 Ca 0.23 -0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 3kmf h GLY 707 CO -0.06 0.00 -1.37 3.43 0.00 0.00 0.00 176.54 178.54 3kmf h ASN 708 N 0.01 0.00 1.19 0.19 2.35 -1.37 -3.25 115.58 114.69 3kmf h ASN 708 Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3kmf h ASN 708 Cb 0.72 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3kmf h ASN 708 CO -0.00 1.00 -0.29 0.58 -1.65 0.00 0.00 177.43 177.06 3kmf h VAL 709 N 0.00 0.61 0.00 2.81 2.07 -0.79 -3.00 116.25 117.95 3kmf h VAL 709 Ca -0.16 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 3kmf h VAL 709 Cb 1.90 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 3kmf h VAL 709 CO 0.10 0.29 -0.33 0.25 0.02 0.00 0.00 177.57 177.90 3kmf h LEU 710 N 0.00 0.00 0.00 2.57 5.85 -1.14 -2.46 115.31 120.13 3kmf h LEU 710 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3kmf h LEU 710 Cb 0.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3kmf h LEU 710 CO 0.04 0.33 -0.87 0.58 -0.34 0.00 0.00 178.44 178.18 3kmf h VAL 711 N 0.00 0.80 0.02 1.05 2.07 -1.56 -2.84 116.25 115.79 3kmf h VAL 711 Ca -0.00 -2.24 -0.21 0.00 0.82 0.00 0.00 66.70 65.07 3kmf h VAL 711 Cb 1.11 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 3kmf h VAL 711 CO 0.04 0.46 -0.95 0.00 0.02 0.00 0.00 177.57 177.14 3kmf h VAL 713 N 0.10 1.37 -0.20 0.00 2.07 -1.47 -1.08 116.25 117.03 3kmf h VAL 713 Ca -0.06 -2.05 -0.17 0.00 0.82 0.00 0.00 66.70 65.25 3kmf h VAL 713 Cb 1.61 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3kmf h VAL 713 CO 0.15 0.62 -0.57 -0.07 0.02 0.00 0.00 177.57 177.71 3kmf h LEU 714 N 0.30 0.72 -0.59 2.57 3.38 -1.48 -1.98 115.31 118.24 3kmf h LEU 714 Ca -0.02 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 3kmf h LEU 714 Cb 1.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3kmf h LEU 714 CO 0.12 1.14 -0.39 0.00 0.09 0.00 0.00 178.44 179.39 3kmf h ALA 715 N 0.87 0.87 0.08 1.53 0.00 -1.25 -1.74 119.26 119.62 3kmf h ALA 715 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 3kmf h ALA 715 Cb 1.14 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kmf h ALA 715 CO 0.11 0.49 -1.13 1.25 0.00 0.00 0.00 179.25 179.98 3kmf h HIS 716 N 0.00 0.56 0.16 0.00 -0.00 -1.10 -2.65 115.15 112.13 3kmf h HIS 716 Ca -0.00 -0.36 -0.23 0.00 -0.00 0.00 0.00 60.37 59.77 3kmf h HIS 716 Cb 1.07 -0.04 0.03 0.00 -0.00 0.00 0.00 27.41 28.46 3kmf h HIS 716 CO 0.00 1.24 -1.01 1.25 -0.00 0.00 0.00 177.93 179.41 3kmf h HIS 717 N 0.14 0.70 0.00 5.26 6.17 -1.30 -3.38 115.15 122.74 3kmf h HIS 717 Ca -0.12 -0.50 0.00 0.00 0.71 0.00 0.00 60.37 60.47 3kmf h HIS 717 Cb 1.82 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.71 3kmf h HIS 717 CO 0.06 1.38 -1.19 1.19 0.71 0.00 0.00 177.93 180.09 3kmf n PHE 718 N -4.00 0.17 0.00 5.26 3.01 -0.66 -5.05 117.46 116.19 3kmf n PHE 718 Ca -0.14 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3kmf n PHE 718 Cb 0.90 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3kmf n PHE 718 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kmf n GLY 719 N 1.37 3.71 0.36 1.37 0.00 -1.00 -2.80 105.19 108.21 3kmf n GLY 719 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3kmf n GLY 719 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kmf h LYS 720 N 0.00 0.89 -0.96 1.61 2.10 -1.97 -1.89 116.57 116.35 3kmf h LYS 720 Ca 0.00 -0.05 0.27 0.00 -2.00 0.00 0.00 60.65 58.86 3kmf h LYS 720 Cb 0.00 -0.20 -0.05 0.00 -0.90 0.00 0.00 32.23 31.08 3kmf h LYS 720 CO 0.00 0.59 0.68 1.49 -2.00 0.00 0.00 179.45 180.20 3kmf h GLU 721 N 0.91 0.08 -4.78 0.07 4.81 -1.93 -3.01 114.58 110.73 3kmf h GLU 721 Ca 0.52 -0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 59.04 3kmf h GLU 721 Cb 0.62 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 3kmf h GLU 721 CO -0.29 0.05 2.51 0.34 -0.73 0.00 0.00 179.01 180.89 3kmf n PHE 722 N -4.31 4.07 -1.85 0.92 7.35 -0.71 -4.93 117.46 118.00 3kmf n PHE 722 Ca 0.20 -2.94 -0.31 0.00 -0.76 0.00 0.00 57.45 53.65 3kmf n PHE 722 Cb 0.97 -2.51 0.02 0.00 0.35 0.00 0.00 39.48 38.31 3kmf n PHE 722 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3kmf s THR 723 N 3.23 4.59 0.24 -2.13 -4.23 -1.14 -4.79 115.64 111.41 3kmf s THR 723 Ca 0.49 0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 61.78 3kmf s THR 723 Cb 0.08 -3.81 0.24 0.00 1.34 0.00 0.00 72.50 70.35 3kmf s THR 723 CO -0.00 -1.10 1.66 -0.65 -0.54 0.00 0.00 174.62 173.99 3kmf h PRO 724 N -0.37 0.18 -0.55 3.99 0.11 -1.93 -1.23 132.00 132.21 3kmf h PRO 724 Ca -0.44 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3kmf h PRO 724 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3kmf h PRO 724 CO 0.62 0.12 0.34 -1.35 -0.21 0.00 0.00 178.00 177.51 3kmf h PRO 725 N 0.19 0.65 0.09 1.05 0.11 -1.99 -1.08 132.00 131.03 3kmf h PRO 725 Ca 0.40 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.49 3kmf h PRO 725 Cb 0.70 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 3kmf h PRO 725 CO -0.56 0.43 -0.23 0.28 -0.21 0.00 0.00 178.00 177.71 3kmf h VAL 726 N 0.67 0.48 -0.91 3.15 2.07 -1.62 -1.67 116.25 118.42 3kmf h VAL 726 Ca 0.21 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.89 3kmf h VAL 726 Cb -0.00 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 3kmf h VAL 726 CO -0.08 0.00 0.51 -0.61 0.02 0.00 0.00 177.57 177.41 3kmf h GLN 727 N -0.41 0.70 -0.41 1.57 4.15 -1.06 -1.16 115.11 118.50 3kmf h GLN 727 Ca 0.03 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.46 3kmf h GLN 727 Cb 0.45 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 3kmf h GLN 727 CO -0.15 0.46 0.14 0.00 -1.93 0.00 0.00 178.83 177.36 3kmf h ALA 728 N 1.57 0.48 0.00 3.38 0.00 -0.33 0.66 119.26 125.03 3kmf h ALA 728 Ca 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 3kmf h ALA 728 Cb 0.68 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kmf h ALA 728 CO -0.35 -0.25 -0.04 0.00 0.00 0.00 0.00 179.25 178.62 3kmf h ALA 729 N 1.26 1.78 0.00 0.00 0.00 -0.43 -2.20 119.26 119.67 3kmf h ALA 729 Ca 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3kmf h ALA 729 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kmf h ALA 729 CO -0.19 0.04 -0.62 1.88 0.00 0.00 0.00 179.25 180.36 3kmf h TYR 730 N 0.00 0.00 0.00 0.00 0.05 -0.41 -2.96 116.97 113.64 3kmf h TYR 730 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 3kmf h TYR 730 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3kmf h TYR 730 CO 0.00 0.45 -0.33 1.96 -1.05 0.00 0.00 178.16 179.20 3kmf h GLN 731 N 0.00 0.00 0.09 4.88 1.08 -0.44 -2.79 115.11 117.93 3kmf h GLN 731 Ca -0.03 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kmf h GLN 731 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 3kmf h GLN 731 CO 0.05 0.33 -0.04 0.87 -0.95 0.00 0.00 178.83 179.09 3kmf h LYS 732 N 0.00 -0.12 -0.15 1.46 1.57 -1.54 -2.88 116.57 114.92 3kmf h LYS 732 Ca -0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3kmf h LYS 732 Cb 0.92 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.19 3kmf h LYS 732 CO 0.04 0.39 -0.32 0.28 -0.57 0.00 0.00 179.45 179.28 3kmf h VAL 733 N -0.90 0.29 0.34 0.50 2.07 -1.52 -0.22 116.25 116.82 3kmf h VAL 733 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kmf h VAL 733 Cb 0.56 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3kmf h VAL 733 CO 0.02 0.00 -0.42 -0.37 0.02 0.00 0.00 177.57 176.82 3kmf h VAL 734 N -0.38 0.15 -0.83 2.57 -1.51 -1.62 0.17 116.25 114.80 3kmf h VAL 734 Ca 0.10 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.71 3kmf h VAL 734 Cb 0.54 0.15 -0.06 0.00 -2.13 0.00 0.00 31.29 29.79 3kmf h VAL 734 CO -0.36 0.00 0.54 0.00 -1.23 0.00 0.00 177.57 176.52 3kmf h ALA 735 N -0.44 1.94 0.51 5.19 0.00 -1.41 0.44 119.26 125.49 3kmf h ALA 735 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kmf h ALA 735 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kmf h ALA 735 CO -0.11 -0.16 -0.24 0.78 0.00 0.00 0.00 179.25 179.51 3kmf h GLY 736 N 0.58 -0.71 -0.04 0.00 0.00 -0.27 -1.65 103.07 100.97 3kmf h GLY 736 Ca 0.41 0.26 0.29 0.00 0.00 0.00 0.00 47.33 48.29 3kmf h GLY 736 CO -0.16 -0.26 0.74 -2.08 0.00 0.00 0.00 176.54 174.78 3kmf h VAL 737 N -0.85 0.47 -0.07 4.60 2.07 -0.16 0.18 116.25 122.48 3kmf h VAL 737 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3kmf h VAL 737 Cb 0.52 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kmf h VAL 737 CO 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.69 3kmf h ALA 738 N 1.47 0.10 -0.62 1.67 0.00 0.16 -2.51 119.26 119.53 3kmf h ALA 738 Ca 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kmf h ALA 738 Cb 1.95 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 3kmf h ALA 738 CO -0.01 -0.19 0.26 -0.91 0.00 0.00 0.00 179.25 178.40 3kmf h ASN 739 N -0.19 0.84 -0.90 0.00 4.21 0.27 -2.03 115.58 117.78 3kmf h ASN 739 Ca 0.02 -0.16 0.14 0.00 1.21 0.00 0.00 56.30 57.51 3kmf h ASN 739 Cb 0.40 -0.22 -0.07 0.00 -1.12 0.00 0.00 38.32 37.31 3kmf h ASN 739 CO 0.01 0.78 0.58 0.00 -1.29 0.00 0.00 177.43 177.50 3kmf h ALA 740 N 1.10 1.80 0.10 -0.83 0.00 -1.11 0.69 119.26 121.02 3kmf h ALA 740 Ca 0.21 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 3kmf h ALA 740 Cb 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kmf h ALA 740 CO -0.02 -0.05 -1.18 -0.07 0.00 0.00 0.00 179.25 177.93 3kmf h LEU 741 N 0.72 0.60 -0.00 0.00 3.38 -1.01 -3.22 115.31 115.77 3kmf h LEU 741 Ca 0.46 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kmf h LEU 741 Cb 0.71 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kmf h LEU 741 CO -0.21 1.41 -0.02 0.00 0.09 0.00 0.00 178.44 179.70 3kmf n ALA 742 N -2.59 2.42 -0.24 1.53 0.00 -0.66 -4.28 120.51 116.70 3kmf n ALA 742 Ca -0.10 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.31 3kmf n ALA 742 Cb 0.97 -1.46 0.37 0.00 0.00 0.00 0.00 19.45 19.33 3kmf n ALA 742 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kmf h HIS 743 N 0.01 0.80 -0.98 0.00 6.17 0.35 -2.99 115.15 118.51 3kmf h HIS 743 Ca 0.00 0.02 -0.66 0.00 0.71 0.00 0.00 60.37 60.44 3kmf h HIS 743 Cb 0.46 -0.26 -0.31 0.00 2.52 0.00 0.00 27.41 29.82 3kmf h HIS 743 CO 0.00 0.35 0.61 1.63 0.71 0.00 0.00 177.93 181.23 3kmf n LYS 744 N -4.52 2.84 -3.35 5.26 4.76 -1.26 -4.98 118.16 116.92 3kmf n LYS 744 Ca 0.15 -3.44 -0.38 0.00 -2.87 0.00 0.00 58.31 51.76 3kmf n LYS 744 Cb 0.37 -2.29 -0.07 0.00 -1.84 0.00 0.00 35.03 31.20 3kmf n LYS 744 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kmf s TYR 745 N -3.80 3.38 0.00 2.13 2.02 -1.13 -4.60 117.35 115.35 3kmf s TYR 745 Ca 0.62 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 3kmf s TYR 745 Cb 0.49 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3kmf s TYR 745 CO -0.01 -0.03 0.23 -2.39 -1.57 0.00 0.00 175.55 171.78