#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uer n THR 602 N 0.00 3.77 -1.45 2.03 -1.04 -1.26 -4.82 114.28 111.51 1uer n THR 602 Ca 0.00 -5.43 -0.53 0.00 -2.04 0.00 0.00 64.05 56.05 1uer n THR 602 Cb 0.00 -2.25 -0.05 0.00 -1.82 0.00 0.00 70.33 66.21 1uer n THR 602 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1uer n HIS 603 N 1.71 0.11 -4.24 -1.42 -0.00 -1.26 -5.01 115.22 105.10 1uer n HIS 603 Ca 0.25 1.00 -0.25 0.00 -0.00 0.00 0.00 57.72 58.72 1uer n HIS 603 Cb 0.37 -2.03 -0.08 0.00 -0.00 0.00 0.00 29.99 28.25 1uer n HIS 603 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1uer s GLU 604 N -0.50 2.36 -0.46 -0.41 4.04 -1.26 -4.94 118.70 117.52 1uer s GLU 604 Ca 0.77 -1.22 -0.28 0.00 0.04 0.00 0.00 54.97 54.28 1uer s GLU 604 Cb -1.09 -2.29 0.01 0.00 0.02 0.00 0.00 34.13 30.79 1uer s GLU 604 CO 0.56 0.42 1.40 -1.17 -1.84 0.00 0.00 175.26 174.63 1uer s LEU 605 N -3.20 3.53 0.25 1.83 2.96 -1.26 -4.96 118.68 117.83 1uer s LEU 605 Ca 0.29 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.54 1uer s LEU 605 Cb -0.08 -3.39 -0.15 0.00 0.50 0.00 0.00 46.19 43.07 1uer s LEU 605 CO 0.19 -1.51 1.07 0.00 -1.32 0.00 0.00 176.35 174.77 1uer n ILE 606 N 7.01 1.58 -2.94 6.68 3.06 -1.26 -4.93 119.36 128.56 1uer n ILE 606 Ca 0.15 -0.40 -0.40 0.00 -2.50 0.00 0.00 62.75 59.60 1uer n ILE 606 Cb 0.48 -0.95 -0.05 0.00 0.54 0.00 0.00 39.64 39.67 1uer n ILE 606 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1uer s SER 607 N -0.34 7.25 0.10 9.51 0.15 -1.26 -5.02 113.70 124.08 1uer s SER 607 Ca 0.64 1.49 -0.31 0.00 0.70 0.00 0.00 55.95 58.47 1uer s SER 607 Cb -0.75 -2.48 -0.07 0.00 -1.71 0.00 0.00 66.02 61.00 1uer s SER 607 CO 0.57 -0.00 1.32 -0.76 1.20 0.00 0.00 173.24 175.56 1uer s LEU 608 N -0.01 4.37 -0.13 3.45 1.43 -1.26 -4.92 118.68 121.61 1uer s LEU 608 Ca 0.40 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.74 1uer s LEU 608 Cb -0.21 -3.58 0.25 0.00 0.03 0.00 0.00 46.19 42.68 1uer s LEU 608 CO 0.24 -0.58 1.20 -0.81 0.23 0.00 0.00 176.35 176.62 1uer n PRO 609 N 3.91 1.73 -3.62 1.29 -0.04 -1.26 -4.85 135.00 132.16 1uer n PRO 609 Ca 0.10 -1.06 -0.04 0.00 -0.04 0.00 0.00 63.50 62.47 1uer n PRO 609 Cb 0.44 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1uer n PRO 609 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1uer s TYR 610 N -1.29 -0.16 0.55 0.54 -0.85 -1.26 -5.09 117.35 109.79 1uer s TYR 610 Ca 0.19 0.01 -0.19 0.00 -0.52 0.00 0.00 57.07 56.57 1uer s TYR 610 Cb 0.16 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 43.01 1uer s TYR 610 CO 0.04 -0.49 1.10 0.00 -1.52 0.00 0.00 175.55 174.69 1uer s ALA 611 N -2.85 2.70 -0.10 9.51 0.00 -1.26 -4.91 121.76 124.85 1uer s ALA 611 Ca 0.10 0.70 0.26 0.00 0.00 0.00 0.00 51.96 53.02 1uer s ALA 611 Cb 0.00 -3.32 1.34 0.00 0.00 0.00 0.00 23.12 21.15 1uer s ALA 611 CO -0.04 -0.76 1.79 -0.39 0.00 0.00 0.00 175.76 176.36 1uer h VAL 612 N 1.01 0.00 -0.17 0.00 -1.51 -1.97 -1.67 116.25 111.94 1uer h VAL 612 Ca -0.49 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1uer h VAL 612 Cb 1.25 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1uer h VAL 612 CO 0.57 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 1uer n ASP 613 N -2.41 2.98 0.27 4.19 5.75 -1.26 -4.17 116.55 121.90 1uer n ASP 613 Ca -0.01 -1.90 0.16 0.00 -0.01 0.00 0.00 54.79 53.02 1uer n ASP 613 Cb 0.08 -0.10 0.65 0.00 -1.03 0.00 0.00 41.12 40.72 1uer n ASP 613 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uer h ALA 614 N 4.06 1.02 -0.40 2.12 0.00 -1.65 -3.17 119.26 121.23 1uer h ALA 614 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uer h ALA 614 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1uer h ALA 614 CO 0.00 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1uer n LEU 615 N -3.18 3.51 -4.78 0.00 4.77 -1.26 -4.27 117.00 111.79 1uer n LEU 615 Ca 0.00 -1.52 -0.35 0.00 -0.03 0.00 0.00 56.01 54.11 1uer n LEU 615 Cb 0.32 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1uer n LEU 615 CO 0.28 0.76 0.75 0.00 -1.33 0.00 0.00 177.39 177.86 1uer s ALA 616 N -1.48 2.83 -2.46 -1.18 0.00 -1.02 -1.47 121.76 116.98 1uer s ALA 616 Ca 0.39 0.73 0.27 0.00 0.00 0.00 0.00 51.96 53.35 1uer s ALA 616 Cb 0.23 -3.31 0.94 0.00 0.00 0.00 0.00 23.12 20.98 1uer s ALA 616 CO 0.32 -0.51 1.68 -0.35 0.00 0.00 0.00 175.76 176.90 1uer n PRO 617 N -0.99 1.63 -0.21 0.00 -0.04 -1.26 -4.88 135.00 129.26 1uer n PRO 617 Ca 0.10 -1.00 -0.07 0.00 -0.04 0.00 0.00 63.50 62.49 1uer n PRO 617 Cb 0.51 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1uer n PRO 617 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uer h VAL 618 N 2.44 1.20 -3.45 0.52 2.07 -1.88 -3.34 116.25 113.80 1uer h VAL 618 Ca 0.00 -0.51 -0.61 0.00 0.82 0.00 0.00 66.70 66.40 1uer h VAL 618 Cb 0.54 0.44 -0.39 0.00 -1.52 0.00 0.00 31.29 30.36 1uer h VAL 618 CO 0.00 0.22 -0.75 -0.63 0.02 0.00 0.00 177.57 176.42 1uer s ILE 619 N -5.83 1.47 0.88 4.57 1.01 -0.54 -5.03 121.20 117.75 1uer s ILE 619 Ca -0.13 -1.61 -0.10 0.00 0.00 0.00 0.00 60.65 58.80 1uer s ILE 619 Cb 0.13 -2.00 0.13 0.00 0.01 0.00 0.00 42.46 40.73 1uer s ILE 619 CO 0.77 -0.48 1.13 -0.94 0.00 0.00 0.00 174.94 175.43 1uer s SER 620 N 1.34 3.25 0.20 3.58 1.04 -1.26 -2.43 113.70 119.43 1uer s SER 620 Ca 0.06 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 1uer s SER 620 Cb -0.18 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.56 1uer s SER 620 CO -0.14 -2.88 1.82 0.50 0.98 0.00 0.00 173.24 173.53 1uer h LYS 621 N -1.71 0.70 -0.90 4.02 3.64 -1.89 -0.04 116.57 120.39 1uer h LYS 621 Ca -0.43 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1uer h LYS 621 Cb 1.26 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1uer h LYS 621 CO 0.44 0.46 0.51 0.93 -2.27 0.00 0.00 179.45 179.53 1uer h GLU 622 N 0.72 1.24 -0.30 1.90 3.07 -1.91 -1.46 114.58 117.84 1uer h GLU 622 Ca 0.26 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 1uer h GLU 622 Cb 0.07 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1uer h GLU 622 CO -0.13 0.89 0.04 1.15 -1.40 0.00 0.00 179.01 179.56 1uer h THR 623 N 1.24 1.24 -0.85 1.13 2.02 -1.62 -2.18 112.91 113.88 1uer h THR 623 Ca 0.32 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.76 1uer h THR 623 Cb -0.01 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.53 1uer h THR 623 CO -0.05 0.27 0.51 0.58 0.37 0.00 0.00 175.52 177.19 1uer h VAL 624 N 0.32 0.98 -0.37 3.16 2.07 -0.71 0.43 116.25 122.14 1uer h VAL 624 Ca 0.09 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1uer h VAL 624 Cb 0.35 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1uer h VAL 624 CO 0.01 0.16 0.13 -0.33 0.02 0.00 0.00 177.57 177.56 1uer h GLU 625 N 0.90 0.56 -0.03 1.57 5.08 -1.05 0.57 114.58 122.19 1uer h GLU 625 Ca 0.39 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1uer h GLU 625 Cb 0.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1uer h GLU 625 CO -0.21 0.56 -0.05 0.74 -1.00 0.00 0.00 179.01 179.05 1uer h PHE 626 N 0.45 0.11 0.27 4.33 0.04 -0.94 -1.06 116.94 120.14 1uer h PHE 626 Ca 0.12 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1uer h PHE 626 Cb 0.22 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1uer h PHE 626 CO 0.00 0.63 -0.14 1.25 -0.60 0.00 0.00 178.31 179.45 1uer h HIS 627 N -0.45 -0.35 0.01 -0.55 2.76 -0.12 0.08 115.15 116.54 1uer h HIS 627 Ca 0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1uer h HIS 627 Cb 0.62 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1uer h HIS 627 CO 0.12 -0.22 -0.41 1.25 -1.30 0.00 0.00 177.93 177.37 1uer h HIS 628 N -0.37 0.05 -0.06 5.26 -0.00 -1.02 -2.52 115.15 116.48 1uer h HIS 628 Ca -0.04 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.19 1uer h HIS 628 Cb 0.29 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1uer h HIS 628 CO -0.06 1.16 -0.45 0.78 -0.00 0.00 0.00 177.93 179.35 1uer h GLY 629 N -0.92 0.16 0.00 5.26 0.00 -1.24 -3.19 103.07 103.14 1uer h GLY 629 Ca -0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1uer h GLY 629 CO -0.04 0.14 -1.17 0.28 0.00 0.00 0.00 176.54 175.76 1uer n LYS 630 N -3.99 0.35 0.19 4.80 5.02 -0.15 -4.27 118.16 120.11 1uer n LYS 630 Ca -0.02 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 1uer n LYS 630 Cb 0.50 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.32 1uer n LYS 630 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uer h HIS 631 N -0.64 -0.39 -0.63 2.13 3.86 -1.15 -2.52 115.15 115.81 1uer h HIS 631 Ca -0.18 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 58.99 1uer h HIS 631 Cb 0.93 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 1uer h HIS 631 CO -0.19 -0.20 0.26 1.25 0.86 0.00 0.00 177.93 179.91 1uer h LEU 632 N -0.49 0.87 -1.65 2.43 5.85 -1.47 -1.67 115.31 119.18 1uer h LEU 632 Ca -0.04 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1uer h LEU 632 Cb 0.37 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1uer h LEU 632 CO 0.07 0.79 0.37 0.50 -0.34 0.00 0.00 178.44 179.84 1uer h LYS 633 N 0.88 0.40 -0.07 1.25 3.64 -1.54 -0.47 116.57 120.66 1uer h LYS 633 Ca 0.21 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.34 1uer h LYS 633 Cb 0.19 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1uer h LYS 633 CO -0.02 0.26 -0.84 1.15 -2.27 0.00 0.00 179.45 177.74 1uer h THR 634 N 0.41 1.30 -0.20 1.00 2.02 -0.93 -1.41 112.91 115.10 1uer h THR 634 Ca 0.25 -2.08 -0.04 0.00 0.77 0.00 0.00 66.41 65.31 1uer h THR 634 Cb 0.45 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1uer h THR 634 CO -0.07 0.64 -0.07 1.88 0.37 0.00 0.00 175.52 178.28 1uer h TYR 635 N 0.37 0.32 0.04 3.16 0.05 -0.38 -0.41 116.97 120.13 1uer h TYR 635 Ca -0.08 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 1uer h TYR 635 Cb 1.49 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.13 1uer h TYR 635 CO 0.10 0.39 -0.02 0.28 -1.05 0.00 0.00 178.16 177.87 1uer h VAL 636 N 0.30 1.37 -0.67 -2.88 2.07 -1.08 -2.33 116.25 113.03 1uer h VAL 636 Ca 0.07 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1uer h VAL 636 Cb 0.32 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 1uer h VAL 636 CO 0.02 0.38 0.36 0.44 0.02 0.00 0.00 177.57 178.78 1uer h ASP 637 N -0.77 0.50 0.00 0.57 3.32 -1.14 -1.30 116.42 117.60 1uer h ASP 637 Ca -0.01 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1uer h ASP 637 Cb 0.67 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1uer h ASP 637 CO 0.01 0.32 -0.00 0.78 -1.72 0.00 0.00 179.24 178.62 1uer h ASN 638 N 0.64 -0.00 -0.73 6.45 2.35 -1.15 -2.76 115.58 120.38 1uer h ASN 638 Ca 0.31 -0.32 0.16 0.00 -0.55 0.00 0.00 56.30 55.90 1uer h ASN 638 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1uer h ASN 638 CO -0.21 0.32 0.50 0.25 -1.65 0.00 0.00 177.43 176.64 1uer h LEU 639 N -0.32 0.28 -0.00 1.61 5.85 -1.19 -1.25 115.31 120.29 1uer h LEU 639 Ca -0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1uer h LEU 639 Cb 0.32 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1uer h LEU 639 CO 0.00 0.14 -0.00 0.78 -0.34 0.00 0.00 178.44 179.02 1uer h ASN 640 N 0.30 0.01 1.52 1.25 2.35 -1.02 -2.86 115.58 117.12 1uer h ASN 640 Ca 0.36 -0.46 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1uer h ASN 640 Cb 0.98 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 1uer h ASN 640 CO -0.09 0.46 -0.15 0.07 -1.65 0.00 0.00 177.43 176.07 1uer h LYS 641 N -0.45 0.00 -0.00 0.81 2.10 -1.15 -3.25 116.57 114.63 1uer h LYS 641 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 1uer h LYS 641 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1uer h LYS 641 CO 0.00 0.15 -0.88 -0.07 -2.00 0.00 0.00 179.45 176.65 1uer h LEU 642 N 0.00 0.35 -0.54 7.07 3.38 -1.28 -3.29 115.31 121.01 1uer h LEU 642 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uer h LEU 642 Cb 0.95 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1uer h LEU 642 CO 0.02 1.07 0.00 0.16 0.09 0.00 0.00 178.44 179.78 1uer h ILE 643 N 0.16 0.00 -2.68 1.22 3.07 -1.53 -3.45 117.51 114.30 1uer h ILE 643 Ca -0.05 -0.61 -0.57 0.00 1.55 0.00 0.00 64.86 65.18 1uer h ILE 643 Cb 1.51 1.56 0.08 0.00 -0.27 0.00 0.00 36.82 39.69 1uer h ILE 643 CO 0.14 0.00 0.72 -0.38 -1.05 0.00 0.00 178.15 177.58 1uer n ILE 644 N -2.76 0.70 -0.97 0.16 5.41 -1.24 -1.68 119.36 118.98 1uer n ILE 644 Ca 0.03 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1uer n ILE 644 Cb 0.39 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1uer n ILE 644 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uer n GLY 645 N 2.53 0.59 3.71 7.39 0.00 -1.26 -5.00 105.19 113.15 1uer n GLY 645 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1uer n GLY 645 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uer s THR 646 N -2.52 1.88 -0.89 2.61 -4.23 -0.68 -5.01 115.64 106.81 1uer s THR 646 Ca 0.00 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1uer s THR 646 Cb 0.00 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 71.15 1uer s THR 646 CO 0.00 0.00 1.25 -1.84 -0.54 0.00 0.00 174.62 173.49 1uer n GLU 647 N -1.17 0.02 0.00 3.99 0.00 -1.26 -1.82 120.64 120.40 1uer n GLU 647 Ca -0.07 0.43 0.10 0.00 0.00 0.00 0.00 57.16 57.62 1uer n GLU 647 Cb 0.66 -1.57 0.06 0.00 0.00 0.00 0.00 31.44 30.59 1uer n GLU 647 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1uer n PHE 648 N -1.62 0.00 -0.35 -1.84 3.72 -1.26 -4.59 117.46 111.52 1uer n PHE 648 Ca 0.01 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.66 1uer n PHE 648 Cb 0.07 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.13 1uer n PHE 648 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1uer h GLU 649 N 3.35 0.33 -0.47 -1.08 4.81 -1.29 -2.70 114.58 117.53 1uer h GLU 649 Ca 0.00 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 1uer h GLU 649 Cb 0.77 -0.07 -0.38 0.00 0.63 0.00 0.00 28.75 29.70 1uer h GLU 649 CO 0.00 0.22 -0.95 0.09 -0.73 0.00 0.00 179.01 177.64 1uer n ASN 650 N -4.72 2.80 -4.94 1.04 4.13 -1.26 -1.81 115.26 110.50 1uer n ASN 650 Ca 0.29 -2.83 -0.24 0.00 1.68 0.00 0.00 54.58 53.48 1uer n ASN 650 Cb 0.99 -0.41 -0.03 0.00 -1.54 0.00 0.00 39.78 38.79 1uer n ASN 650 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uer s ALA 651 N -3.31 3.90 0.62 5.41 0.00 -1.02 -4.17 121.76 123.19 1uer s ALA 651 Ca 0.38 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1uer s ALA 651 Cb 0.37 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1uer s ALA 651 CO -0.02 0.38 1.11 0.16 0.00 0.00 0.00 175.76 177.39 1uer s ASP 652 N -3.60 5.30 0.24 0.00 -4.77 -1.26 -4.06 116.67 108.52 1uer s ASP 652 Ca 0.34 2.05 -0.04 0.00 -3.30 0.00 0.00 52.55 51.59 1uer s ASP 652 Cb -0.10 -2.56 0.39 0.00 -1.09 0.00 0.00 42.92 39.56 1uer s ASP 652 CO 0.28 -1.50 1.81 0.25 0.70 0.00 0.00 175.17 176.71 1uer h LEU 653 N 0.37 0.66 -0.58 2.11 5.85 -1.98 -2.44 115.31 119.31 1uer h LEU 653 Ca -0.48 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1uer h LEU 653 Cb 1.25 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 1uer h LEU 653 CO 0.55 0.38 0.21 0.78 -0.34 0.00 0.00 178.44 180.02 1uer h ASN 654 N 0.78 0.20 -0.53 1.25 4.21 -1.98 -1.07 115.58 118.44 1uer h ASN 654 Ca 0.39 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.95 1uer h ASN 654 Cb 0.36 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1uer h ASN 654 CO -0.25 0.13 0.20 0.74 -1.29 0.00 0.00 177.43 176.96 1uer h THR 655 N 0.39 1.22 -0.71 2.81 2.02 -1.82 -1.06 112.91 115.75 1uer h THR 655 Ca 0.29 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.86 1uer h THR 655 Cb 0.35 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 1uer h THR 655 CO -0.30 0.26 0.37 0.40 0.37 0.00 0.00 175.52 176.63 1uer h ILE 656 N 0.72 0.87 -0.10 3.11 2.04 -0.83 -0.73 117.51 122.59 1uer h ILE 656 Ca 0.18 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1uer h ILE 656 Cb 0.22 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1uer h ILE 656 CO -0.01 0.12 -0.41 0.58 0.00 0.00 0.00 178.15 178.43 1uer h VAL 657 N 0.63 1.31 -0.13 1.67 2.07 -0.88 -0.53 116.25 120.39 1uer h VAL 657 Ca 0.35 -1.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.18 1uer h VAL 657 Cb 0.34 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1uer h VAL 657 CO -0.25 0.45 -0.67 -0.61 0.02 0.00 0.00 177.57 176.50 1uer h GLN 658 N 0.18 0.54 0.00 1.57 4.15 0.13 -3.40 115.11 118.29 1uer h GLN 658 Ca 0.02 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1uer h GLN 658 Cb 0.80 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1uer h GLN 658 CO 0.06 1.03 -0.81 1.63 -1.93 0.00 0.00 178.83 178.81 1uer n LYS 659 N -3.90 2.16 -1.88 1.69 5.02 -0.48 -4.95 118.16 115.82 1uer n LYS 659 Ca -0.04 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.93 1uer n LYS 659 Cb 0.68 -0.94 0.08 0.00 -0.02 0.00 0.00 35.03 34.83 1uer n LYS 659 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1uer s SER 660 N -2.03 4.79 0.31 4.39 1.04 -0.21 -5.08 113.70 116.91 1uer s SER 660 Ca -0.00 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.38 1uer s SER 660 Cb 0.02 -1.50 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1uer s SER 660 CO 0.15 -1.74 0.21 -1.61 0.98 0.00 0.00 173.24 171.23 1uer s GLU 661 N -5.50 1.66 0.50 4.02 0.41 -1.26 -4.67 118.70 113.86 1uer s GLU 661 Ca 0.61 -1.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 1uer s GLU 661 Cb -0.11 0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.33 1uer s GLU 661 CO 0.50 -0.54 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 1uer n GLY 662 N -0.60 1.89 0.28 -1.39 0.00 -1.26 -2.28 105.19 101.82 1uer n GLY 662 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1uer n GLY 662 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uer h GLY 663 N 0.00 0.82 1.06 -0.02 0.00 -1.99 0.16 103.07 103.10 1uer h GLY 663 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1uer h GLY 663 CO 0.00 -0.29 0.13 -2.22 0.00 0.00 0.00 176.54 174.16 1uer h ILE 664 N 0.09 1.26 -0.39 2.60 2.04 -1.91 -2.52 117.51 118.69 1uer h ILE 664 Ca 0.41 -1.01 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 1uer h ILE 664 Cb 0.71 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1uer h ILE 664 CO -0.67 0.38 -0.26 0.15 0.00 0.00 0.00 178.15 177.75 1uer h PHE 665 N 1.02 1.01 -0.34 1.37 3.57 -0.81 0.02 116.94 122.79 1uer h PHE 665 Ca 0.21 -0.27 0.06 0.00 3.53 0.00 0.00 57.97 61.49 1uer h PHE 665 Cb 0.42 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1uer h PHE 665 CO 0.03 1.06 -0.00 -0.91 -2.23 0.00 0.00 178.31 176.26 1uer h ASN 666 N 0.68 -0.15 0.74 0.41 2.35 -0.84 0.46 115.58 119.22 1uer h ASN 666 Ca 0.08 0.08 -0.21 0.00 -0.55 0.00 0.00 56.30 55.70 1uer h ASN 666 Cb 0.83 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1uer h ASN 666 CO 0.07 -0.04 -0.94 0.78 -1.65 0.00 0.00 177.43 175.65 1uer h ASN 667 N 0.09 0.16 -0.01 5.81 2.35 -1.47 -2.49 115.58 120.02 1uer h ASN 667 Ca 0.16 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1uer h ASN 667 Cb 0.23 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1uer h ASN 667 CO -0.28 1.01 -0.01 0.00 -1.65 0.00 0.00 177.43 176.51 1uer h ALA 668 N 0.97 0.02 -1.00 -0.83 0.00 -0.46 0.38 119.26 118.34 1uer h ALA 668 Ca -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1uer h ALA 668 Cb 1.62 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 1uer h ALA 668 CO 0.14 -0.26 0.66 0.78 0.00 0.00 0.00 179.25 180.57 1uer h GLY 669 N -0.39 1.43 1.71 0.00 0.00 -0.18 -1.22 103.07 104.42 1uer h GLY 669 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1uer h GLY 669 CO 0.00 0.49 -0.50 1.46 0.00 0.00 0.00 176.54 177.99 1uer h GLN 670 N 1.33 0.31 -0.21 4.80 1.08 -1.34 -1.40 115.11 119.69 1uer h GLN 670 Ca 0.38 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1uer h GLN 670 Cb -0.11 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1uer h GLN 670 CO -0.09 0.74 -0.29 1.15 -0.95 0.00 0.00 178.83 179.39 1uer h THR 671 N 0.25 1.33 -0.37 -0.54 2.02 -0.49 -2.03 112.91 113.08 1uer h THR 671 Ca 0.01 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 1uer h THR 671 Cb 0.97 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1uer h THR 671 CO 0.08 0.46 0.20 0.25 0.37 0.00 0.00 175.52 176.88 1uer h LEU 672 N 0.24 0.46 -0.18 2.58 5.85 -1.20 -2.17 115.31 120.90 1uer h LEU 672 Ca 0.02 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1uer h LEU 672 Cb 0.87 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1uer h LEU 672 CO 0.07 0.42 -0.05 0.78 -0.34 0.00 0.00 178.44 179.32 1uer h ASN 673 N 0.47 -0.18 0.84 1.25 2.35 -1.26 -2.69 115.58 116.36 1uer h ASN 673 Ca 0.13 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1uer h ASN 673 Cb 0.06 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1uer h ASN 673 CO -0.02 -0.06 -0.29 0.45 -1.65 0.00 0.00 177.43 175.85 1uer h HIS 674 N -0.01 0.00 0.06 1.19 3.86 -1.26 -1.91 115.15 117.08 1uer h HIS 674 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1uer h HIS 674 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1uer h HIS 674 CO -0.21 0.29 -0.03 -0.91 0.86 0.00 0.00 177.93 177.94 1uer h ASN 675 N 0.00 -0.06 -0.72 2.45 -0.26 -1.19 -2.24 115.58 113.55 1uer h ASN 675 Ca -0.00 -0.43 -0.02 0.00 -0.56 0.00 0.00 56.30 55.29 1uer h ASN 675 Cb 0.79 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 38.03 1uer h ASN 675 CO 0.04 0.41 0.39 -0.07 -1.06 0.00 0.00 177.43 177.14 1uer h LEU 676 N -0.56 0.91 0.27 1.61 3.38 -1.43 -3.07 115.31 116.43 1uer h LEU 676 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1uer h LEU 676 Cb 0.49 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1uer h LEU 676 CO 0.01 0.74 -0.17 0.22 0.09 0.00 0.00 178.44 179.33 1uer h TYR 677 N 1.02 -0.46 0.00 1.13 3.20 -1.27 -2.77 116.97 117.83 1uer h TYR 677 Ca 0.26 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1uer h TYR 677 Cb 0.04 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1uer h TYR 677 CO 0.01 -0.26 -0.01 0.74 -1.64 0.00 0.00 178.16 177.01 1uer h PHE 678 N -0.42 0.00 -0.00 -3.82 0.04 -1.48 -2.42 116.94 108.84 1uer h PHE 678 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1uer h PHE 678 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1uer h PHE 678 CO 0.03 0.01 -0.33 0.25 -0.60 0.00 0.00 178.31 177.66 1uer n THR 679 N -3.86 0.00 1.24 -1.55 -2.24 -1.16 -3.86 114.28 102.85 1uer n THR 679 Ca -0.03 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1uer n THR 679 Cb 0.09 0.24 0.34 0.00 -2.10 0.00 0.00 70.33 68.90 1uer n THR 679 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uer n GLN 680 N -1.08 1.95 -4.45 -0.78 10.64 -0.91 -4.93 117.38 117.82 1uer n GLN 680 Ca 0.09 -1.39 -0.32 0.00 -1.83 0.00 0.00 57.00 53.55 1uer n GLN 680 Cb 0.33 -1.47 -0.10 0.00 -0.86 0.00 0.00 30.24 28.14 1uer n GLN 680 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1uer s PHE 681 N -1.96 2.87 -0.16 2.61 0.08 -1.25 -0.42 117.98 119.75 1uer s PHE 681 Ca 0.34 -0.05 -0.18 0.00 0.12 0.00 0.00 56.93 57.16 1uer s PHE 681 Cb 0.20 -1.60 0.05 0.00 -0.57 0.00 0.00 43.02 41.11 1uer s PHE 681 CO 0.32 0.37 0.49 1.03 -0.10 0.00 0.00 175.22 177.33 1uer s ARG 682 N -1.46 0.64 0.56 0.44 1.81 -0.29 -4.83 118.95 115.82 1uer s ARG 682 Ca 0.17 0.55 -0.19 0.00 -1.72 0.00 0.00 55.73 54.55 1uer s ARG 682 Cb -0.11 0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.64 1uer s ARG 682 CO 0.08 -0.11 1.13 -1.25 -0.68 0.00 0.00 175.30 174.47 1uer s PRO 683 N -0.05 3.27 -0.05 3.54 0.04 -1.26 -3.24 135.00 137.25 1uer s PRO 683 Ca -0.03 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1uer s PRO 683 Cb -0.03 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1uer s PRO 683 CO 0.02 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1uer n GLY 684 N 0.07 0.13 0.00 0.56 0.00 -1.26 -4.93 105.19 99.75 1uer n GLY 684 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1uer n GLY 684 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uer n LYS 685 N 0.28 0.00 0.00 1.61 3.00 -1.20 -5.04 118.16 116.81 1uer n LYS 685 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1uer n LYS 685 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 1uer n LYS 685 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uer n GLY 686 N 5.00 -0.35 3.55 3.14 0.00 -0.81 -4.84 105.19 110.87 1uer n GLY 686 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1uer n GLY 686 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uer n GLY 687 N 0.00 0.23 3.40 -0.02 0.00 -1.26 -4.65 105.19 102.89 1uer n GLY 687 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 1uer n GLY 687 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uer s ALA 688 N -1.74 2.27 0.18 4.61 0.00 -1.26 -5.02 121.76 120.81 1uer s ALA 688 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 51.96 49.92 1uer s ALA 688 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 1uer s ALA 688 CO 0.00 0.07 0.80 -1.25 0.00 0.00 0.00 175.76 175.38 1uer s PRO 689 N -3.64 4.60 0.01 0.00 0.04 -1.26 -4.92 135.00 129.83 1uer s PRO 689 Ca 0.26 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1uer s PRO 689 Cb -0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1uer s PRO 689 CO 0.10 0.56 0.01 1.63 0.04 0.00 0.00 177.00 179.34 1uer n LYS 690 N 1.54 1.36 0.00 4.56 5.02 -1.26 -4.11 118.16 125.27 1uer n LYS 690 Ca -0.05 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1uer n LYS 690 Cb 0.48 0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1uer n LYS 690 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uer n GLY 691 N 4.85 0.88 0.31 0.72 0.00 -1.26 -1.53 105.19 109.16 1uer n GLY 691 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.28 1uer n GLY 691 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uer h LYS 692 N 0.00 0.45 0.59 1.61 6.56 -1.97 -0.44 116.57 123.36 1uer h LYS 692 Ca 0.00 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 1uer h LYS 692 Cb 0.00 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 1uer h LYS 692 CO 0.00 0.29 -0.39 1.25 -2.06 0.00 0.00 179.45 178.55 1uer h LEU 693 N 0.46 -0.99 -1.25 2.94 5.85 -1.92 0.97 115.31 121.36 1uer h LEU 693 Ca 0.15 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1uer h LEU 693 Cb 0.04 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1uer h LEU 693 CO -0.03 -0.59 0.53 1.23 -0.34 0.00 0.00 178.44 179.23 1uer h GLY 694 N -0.94 1.13 0.84 3.75 0.00 -0.82 -0.20 103.07 106.84 1uer h GLY 694 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1uer h GLY 694 CO 0.06 0.30 0.03 0.83 0.00 0.00 0.00 176.54 177.76 1uer h GLU 695 N 0.94 0.35 -0.41 4.80 5.08 -0.39 -2.03 114.58 122.93 1uer h GLU 695 Ca 0.33 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1uer h GLU 695 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1uer h GLU 695 CO -0.11 0.51 0.17 0.00 -1.00 0.00 0.00 179.01 178.58 1uer h ALA 696 N 0.83 0.54 -0.56 3.43 0.00 0.15 -0.27 119.26 123.38 1uer h ALA 696 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1uer h ALA 696 Cb 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1uer h ALA 696 CO 0.00 0.13 0.31 0.82 0.00 0.00 0.00 179.25 180.51 1uer h ILE 697 N 0.52 0.99 -0.17 0.00 5.03 -0.98 0.21 117.51 123.13 1uer h ILE 697 Ca 0.14 -0.20 -0.11 0.00 -0.12 0.00 0.00 64.86 64.56 1uer h ILE 697 Cb 0.17 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 34.31 1uer h ILE 697 CO -0.01 0.11 -0.33 0.44 -0.68 0.00 0.00 178.15 177.68 1uer h ASP 698 N 0.59 0.58 0.12 1.72 5.19 -1.25 0.84 116.42 124.22 1uer h ASP 698 Ca 0.24 -0.55 -0.02 0.00 -0.62 0.00 0.00 57.03 56.08 1uer h ASP 698 Cb 0.11 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1uer h ASP 698 CO -0.14 1.02 -0.08 0.50 -3.12 0.00 0.00 179.24 177.42 1uer h LYS 699 N 0.16 0.00 0.00 3.56 3.64 -0.72 1.01 116.57 124.22 1uer h LYS 699 Ca 0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1uer h LYS 699 Cb 0.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1uer h LYS 699 CO 0.07 0.08 -2.01 1.04 -2.27 0.00 0.00 179.45 176.36 1uer n GLN 700 N -4.12 0.79 0.00 1.90 6.02 0.73 -4.58 117.38 118.12 1uer n GLN 700 Ca -0.03 -0.11 0.02 0.00 -0.01 0.00 0.00 57.00 56.87 1uer n GLN 700 Cb 0.16 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1uer n GLN 700 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1uer n PHE 701 N -2.36 0.00 0.00 1.08 3.72 0.29 -5.01 117.46 115.17 1uer n PHE 701 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1uer n PHE 701 Cb 0.73 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1uer n PHE 701 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uer n GLY 702 N 0.44 2.12 3.42 1.37 0.00 0.35 -4.46 105.19 108.43 1uer n GLY 702 Ca 0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1uer n GLY 702 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uer s SER 703 N 0.00 -0.18 0.19 1.61 1.04 -1.26 -4.76 113.70 110.34 1uer s SER 703 Ca 0.00 -0.52 -0.07 0.00 0.48 0.00 0.00 55.95 55.84 1uer s SER 703 Cb 0.00 0.51 0.09 0.00 0.10 0.00 0.00 66.02 66.72 1uer s SER 703 CO 0.00 -0.96 1.59 0.15 0.98 0.00 0.00 173.24 175.00 1uer h PHE 704 N 2.33 1.03 -0.36 5.02 3.57 -1.89 -2.59 116.94 124.05 1uer h PHE 704 Ca -0.31 -0.24 -0.14 0.00 3.53 0.00 0.00 57.97 60.81 1uer h PHE 704 Cb 1.25 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1uer h PHE 704 CO 0.36 1.02 -0.33 1.49 -2.23 0.00 0.00 178.31 178.62 1uer h GLU 705 N 0.79 0.85 -0.93 1.11 4.57 -1.96 -1.34 114.58 117.67 1uer h GLU 705 Ca 0.11 -0.44 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 1uer h GLU 705 Cb 0.76 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 1uer h GLU 705 CO 0.06 1.08 0.55 0.87 -1.18 0.00 0.00 179.01 180.39 1uer h LYS 706 N 0.65 1.27 -0.04 1.92 1.57 -1.84 -0.62 116.57 119.48 1uer h LYS 706 Ca 0.06 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1uer h LYS 706 Cb 0.91 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1uer h LYS 706 CO 0.08 0.90 -0.00 0.35 -0.57 0.00 0.00 179.45 180.21 1uer h PHE 707 N 1.28 0.08 -0.86 -1.35 3.57 -1.36 -2.70 116.94 115.60 1uer h PHE 707 Ca 0.33 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.00 1uer h PHE 707 Cb -0.03 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 1uer h PHE 707 CO 0.01 0.38 0.57 0.87 -2.23 0.00 0.00 178.31 177.90 1uer h LYS 708 N -0.25 0.45 -0.28 1.11 1.57 -0.90 0.78 116.57 119.06 1uer h LYS 708 Ca 0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1uer h LYS 708 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1uer h LYS 708 CO 0.00 0.30 0.10 0.93 -0.57 0.00 0.00 179.45 180.21 1uer h GLU 709 N 0.46 0.42 0.00 3.15 4.39 -0.84 0.61 114.58 122.77 1uer h GLU 709 Ca 0.44 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1uer h GLU 709 Cb 1.01 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1uer h GLU 709 CO -0.17 0.46 -0.05 -0.85 -1.16 0.00 0.00 179.01 177.24 1uer n GLU 710 N -4.74 0.20 0.03 2.33 0.28 -0.46 -1.99 120.64 116.28 1uer n GLU 710 Ca -0.02 0.15 -0.19 0.00 -0.16 0.00 0.00 57.16 56.94 1uer n GLU 710 Cb 0.14 -1.72 -0.13 0.00 1.43 0.00 0.00 31.44 31.16 1uer n GLU 710 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1uer h PHE 711 N 0.00 0.53 -0.24 -1.84 3.57 -0.66 -2.64 116.94 115.66 1uer h PHE 711 Ca 0.00 -0.35 0.05 0.00 3.53 0.00 0.00 57.97 61.20 1uer h PHE 711 Cb 0.68 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1uer h PHE 711 CO 0.00 1.24 -0.10 -0.91 -2.23 0.00 0.00 178.31 176.31 1uer h ASN 712 N -0.33 -0.34 -0.60 0.41 2.35 -0.72 -2.04 115.58 114.31 1uer h ASN 712 Ca -0.11 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1uer h ASN 712 Cb 1.50 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 40.04 1uer h ASN 712 CO 0.13 -0.13 0.25 0.74 -1.65 0.00 0.00 177.43 176.77 1uer h THR 713 N -0.06 1.22 -0.26 2.81 2.02 -1.48 -1.29 112.91 115.87 1uer h THR 713 Ca 0.13 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.64 1uer h THR 713 Cb 0.25 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1uer h THR 713 CO -0.28 0.28 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1uer h ALA 714 N 1.36 0.23 -0.41 6.16 0.00 -1.01 -0.42 119.26 125.18 1uer h ALA 714 Ca 0.22 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1uer h ALA 714 Cb 0.18 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1uer h ALA 714 CO -0.02 -0.41 -0.05 0.78 0.00 0.00 0.00 179.25 179.55 1uer h GLY 715 N 0.08 0.74 2.00 0.00 0.00 -0.79 -2.29 103.07 102.80 1uer h GLY 715 Ca 0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1uer h GLY 715 CO -0.21 0.46 -0.46 -0.91 0.00 0.00 0.00 176.54 175.42 1uer h THR 716 N 0.63 0.91 0.00 4.70 1.35 -0.94 -3.23 112.91 116.34 1uer h THR 716 Ca 0.12 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1uer h THR 716 Cb 0.47 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1uer h THR 716 CO 0.02 0.45 -0.42 0.71 -0.25 0.00 0.00 175.52 176.03 1uer h THR 717 N 0.00 0.00 -2.63 6.82 1.35 -0.67 -3.45 112.91 114.32 1uer h THR 717 Ca -0.00 -0.67 -0.55 0.00 -0.55 0.00 0.00 66.41 64.64 1uer h THR 717 Cb 1.14 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1uer h THR 717 CO 0.06 0.00 1.07 -0.22 -0.25 0.00 0.00 175.52 176.18 1uer s LEU 718 N -4.87 4.33 -0.12 3.87 0.20 -0.90 -4.96 118.68 116.23 1uer s LEU 718 Ca 0.06 2.27 -0.20 0.00 0.69 0.00 0.00 54.13 56.95 1uer s LEU 718 Cb 0.11 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 1uer s LEU 718 CO 0.69 -0.91 0.57 0.12 -0.29 0.00 0.00 176.35 176.53 1uer s PHE 719 N 3.79 3.50 0.00 5.38 5.36 -1.26 -4.88 117.98 129.87 1uer s PHE 719 Ca 0.73 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 1uer s PHE 719 Cb -0.34 -2.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1uer s PHE 719 CO 0.30 0.07 0.00 0.41 -1.46 0.00 0.00 175.22 174.54 1uer n GLY 720 N 3.35 -0.23 3.90 13.12 0.00 -1.26 -4.92 105.19 119.15 1uer n GLY 720 Ca -0.04 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1uer n GLY 720 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uer s SER 721 N -4.00 6.50 0.00 1.61 0.01 -1.26 -4.80 113.70 111.76 1uer s SER 721 Ca 0.00 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1uer s SER 721 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1uer s SER 721 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1uer n GLY 722 N -0.27 -1.19 3.11 3.44 0.00 -1.26 -0.60 105.19 108.43 1uer n GLY 722 Ca -0.02 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 1uer n GLY 722 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uer s TRP 723 N -3.00 0.75 -0.15 1.61 0.52 0.55 -0.10 118.94 119.12 1uer s TRP 723 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 56.10 55.40 1uer s TRP 723 Cb 0.00 -0.45 0.01 0.00 -1.15 0.00 0.00 33.47 31.89 1uer s TRP 723 CO 0.00 -0.14 -0.21 0.54 0.02 0.00 0.00 176.95 177.16 1uer s VAL 724 N -2.63 2.02 -0.04 4.03 0.11 -0.90 -0.29 120.40 122.70 1uer s VAL 724 Ca 0.01 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.19 1uer s VAL 724 Cb -0.01 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.02 1uer s VAL 724 CO -0.03 0.54 -0.25 0.26 -3.33 0.00 0.00 175.10 172.29 1uer s TRP 725 N 1.01 2.40 -0.18 1.54 0.52 0.70 -1.66 118.94 123.27 1uer s TRP 725 Ca -0.02 -0.59 -0.20 0.00 0.02 0.00 0.00 56.10 55.31 1uer s TRP 725 Cb -0.15 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1uer s TRP 725 CO -0.06 -0.13 0.56 -1.17 0.02 0.00 0.00 176.95 176.17 1uer s LEU 726 N -0.37 4.18 0.10 2.99 2.96 -0.20 0.27 118.68 128.60 1uer s LEU 726 Ca 0.03 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 1uer s LEU 726 Cb -0.12 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1uer s LEU 726 CO 0.02 -0.18 -0.08 0.00 -1.32 0.00 0.00 176.35 174.78 1uer s ALA 727 N 1.52 1.05 0.05 5.97 0.00 0.24 -1.03 121.76 129.56 1uer s ALA 727 Ca 0.27 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 51.01 1uer s ALA 727 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1uer s ALA 727 CO 0.11 -0.14 -0.17 0.45 0.00 0.00 0.00 175.76 176.00 1uer s SER 728 N -2.78 2.04 0.50 0.00 0.15 -0.08 0.14 113.70 113.67 1uer s SER 728 Ca 0.09 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.24 1uer s SER 728 Cb 0.01 -0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.25 1uer s SER 728 CO -0.02 0.08 0.48 -0.90 1.20 0.00 0.00 173.24 174.07 1uer n ASP 729 N 1.77 0.75 -0.04 5.45 5.68 -0.79 0.28 116.55 129.66 1uer n ASP 729 Ca -0.18 -1.61 0.01 0.00 -0.50 0.00 0.00 54.79 52.51 1uer n ASP 729 Cb 0.54 -0.30 0.33 0.00 -1.14 0.00 0.00 41.12 40.55 1uer n ASP 729 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uer h ALA 730 N -0.35 1.51 -0.00 2.12 0.00 -1.91 -0.71 119.26 119.92 1uer h ALA 730 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1uer h ALA 730 Cb 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1uer h ALA 730 CO 0.18 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1uer n ASN 731 N -4.38 0.02 0.00 0.00 3.02 -1.26 -4.88 115.26 107.78 1uer n ASN 731 Ca 0.03 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1uer n ASN 731 Cb 0.14 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1uer n ASN 731 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uer n GLY 732 N 0.91 1.36 3.65 7.41 0.00 -0.27 -5.00 105.19 113.25 1uer n GLY 732 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1uer n GLY 732 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uer s LYS 733 N -0.17 4.00 0.48 1.61 2.20 -1.26 -4.60 119.74 122.00 1uer s LYS 733 Ca 0.00 2.27 -0.12 0.00 -0.36 0.00 0.00 55.97 57.76 1uer s LYS 733 Cb 0.00 -4.10 -0.06 0.00 -1.51 0.00 0.00 37.83 32.15 1uer s LYS 733 CO 0.00 -1.08 0.87 -0.51 -0.36 0.00 0.00 175.35 174.27 1uer s LEU 734 N 4.81 3.67 0.04 5.43 1.43 -1.26 -1.88 118.68 130.93 1uer s LEU 734 Ca 0.82 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.08 1uer s LEU 734 Cb -0.36 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 41.66 1uer s LEU 734 CO 0.35 -0.54 0.28 -0.94 0.23 0.00 0.00 176.35 175.73 1uer s SER 735 N -3.35 -0.09 -0.30 2.29 1.04 0.36 -4.96 113.70 108.70 1uer s SER 735 Ca 0.54 -0.23 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 1uer s SER 735 Cb -0.10 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1uer s SER 735 CO 0.36 -0.60 0.07 -0.63 0.98 0.00 0.00 173.24 173.41 1uer s ILE 736 N -2.55 3.77 -0.16 -1.02 1.01 -1.26 0.81 121.20 121.80 1uer s ILE 736 Ca -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1uer s ILE 736 Cb -0.01 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1uer s ILE 736 CO -0.03 0.03 0.02 -1.61 0.00 0.00 0.00 174.94 173.35 1uer s GLU 737 N 1.45 3.77 -0.25 2.79 0.41 0.14 -4.94 118.70 122.06 1uer s GLU 737 Ca 0.01 -0.42 -0.16 0.00 -0.41 0.00 0.00 54.97 53.99 1uer s GLU 737 Cb -0.18 -3.05 -0.03 0.00 -1.78 0.00 0.00 34.13 29.09 1uer s GLU 737 CO 0.02 0.30 0.42 0.15 -0.49 0.00 0.00 175.26 175.65 1uer s LYS 738 N 0.24 4.06 -0.30 1.61 1.02 -1.26 -0.22 119.74 124.89 1uer s LYS 738 Ca 0.01 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.18 1uer s LYS 738 Cb -0.13 -3.63 0.08 0.00 -0.52 0.00 0.00 37.83 33.63 1uer s LYS 738 CO 0.01 -0.25 -0.03 -1.21 -0.92 0.00 0.00 175.35 172.95 1uer s GLU 739 N 1.99 1.88 0.66 1.68 0.41 0.61 -5.00 118.70 120.92 1uer s GLU 739 Ca 0.17 -1.60 -0.17 0.00 -0.41 0.00 0.00 54.97 52.96 1uer s GLU 739 Cb -0.16 -3.05 -0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1uer s GLU 739 CO 0.09 -0.75 1.21 -2.14 -0.49 0.00 0.00 175.26 173.18 1uer s PRO 740 N 1.01 2.60 1.32 0.39 0.02 -1.26 -0.33 135.00 138.75 1uer s PRO 740 Ca 0.01 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1uer s PRO 740 Cb -0.20 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1uer s PRO 740 CO -0.06 -1.48 0.00 0.09 -0.33 0.00 0.00 177.00 175.21 1uer n ASN 741 N -2.11 0.00 -0.99 2.53 3.02 0.24 -1.15 115.26 116.79 1uer n ASN 741 Ca 0.13 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.80 1uer n ASN 741 Cb 0.50 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.93 1uer n ASN 741 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uer n ALA 742 N 8.22 2.44 -1.53 5.41 0.00 -1.26 -4.19 120.51 129.60 1uer n ALA 742 Ca 0.00 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.19 1uer n ALA 742 Cb 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.57 1uer n ALA 742 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uer n GLY 743 N 1.40 -0.54 3.28 0.00 0.00 -0.30 -3.99 105.19 105.04 1uer n GLY 743 Ca 0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1uer n GLY 743 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uer s ASN 744 N -1.36 -0.32 0.41 1.61 3.84 -1.26 -4.77 114.94 113.10 1uer s ASN 744 Ca 0.75 0.42 0.19 0.00 0.21 0.00 0.00 52.86 54.42 1uer s ASN 744 Cb -0.40 0.52 1.12 0.00 -0.55 0.00 0.00 41.25 41.95 1uer s ASN 744 CO 0.49 -0.34 1.80 -0.65 -2.79 0.00 0.00 177.10 175.61 1uer h PRO 745 N 4.43 0.37 -1.11 0.43 0.11 -1.94 -1.90 132.00 132.39 1uer h PRO 745 Ca -0.28 -0.02 0.32 0.00 0.11 0.00 0.00 66.00 66.12 1uer h PRO 745 Cb 1.18 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1uer h PRO 745 CO 0.34 0.24 0.79 0.28 -0.21 0.00 0.00 178.00 179.45 1uer h VAL 746 N 0.38 0.45 -0.19 3.15 2.07 -1.94 0.14 116.25 120.31 1uer h VAL 746 Ca 0.55 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 68.05 1uer h VAL 746 Cb 1.42 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1uer h VAL 746 CO -0.24 0.01 0.11 -0.09 0.02 0.00 0.00 177.57 177.38 1uer h ARG 747 N 0.03 0.26 -0.82 1.57 2.43 -1.60 0.65 114.38 116.90 1uer h ARG 747 Ca 0.53 -0.02 -0.38 0.00 -0.81 0.00 0.00 59.98 59.31 1uer h ARG 747 Cb 2.08 -0.06 -0.22 0.00 -0.42 0.00 0.00 29.97 31.35 1uer h ARG 747 CO -0.03 0.19 0.44 1.63 -1.51 0.00 0.00 179.97 180.68 1uer n LYS 748 N -4.49 2.64 -3.52 0.20 5.02 0.48 -4.87 118.16 113.62 1uer n LYS 748 Ca -0.00 -3.06 -0.23 0.00 -2.02 0.00 0.00 58.31 53.00 1uer n LYS 748 Cb 0.09 -2.14 0.04 0.00 -0.02 0.00 0.00 35.03 33.00 1uer n LYS 748 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uer n GLY 749 N -0.84 -1.10 3.42 0.72 0.00 0.22 -5.01 105.19 102.60 1uer n GLY 749 Ca 0.50 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.80 1uer n GLY 749 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uer s LEU 750 N -5.74 1.87 -0.29 0.99 1.43 -1.09 -4.88 118.68 110.97 1uer s LEU 750 Ca 0.35 -1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 51.74 1uer s LEU 750 Cb -0.11 0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1uer s LEU 750 CO 0.83 -0.90 0.15 0.21 0.23 0.00 0.00 176.35 176.86 1uer s ASN 751 N -3.49 5.58 -0.59 2.29 2.47 0.14 -3.84 114.94 117.50 1uer s ASN 751 Ca 0.31 -0.31 -0.24 0.00 0.42 0.00 0.00 52.86 53.04 1uer s ASN 751 Cb 0.04 -2.02 0.05 0.00 -1.45 0.00 0.00 41.25 37.87 1uer s ASN 751 CO 0.17 -0.12 0.97 -2.16 -3.72 0.00 0.00 177.10 172.24 1uer s PRO 752 N 1.66 3.26 -0.17 0.43 0.04 -1.26 -0.90 135.00 138.05 1uer s PRO 752 Ca 0.06 -0.42 -0.18 0.00 0.04 0.00 0.00 61.00 60.49 1uer s PRO 752 Cb -0.16 -4.11 -0.15 0.00 0.04 0.00 0.00 34.50 30.12 1uer s PRO 752 CO 0.07 -1.62 0.18 -0.07 0.04 0.00 0.00 177.00 175.60 1uer h LEU 753 N 11.20 0.00 -7.40 -3.56 3.38 -1.33 -3.48 115.31 114.12 1uer h LEU 753 Ca -0.27 -0.41 -0.35 0.00 0.09 0.00 0.00 57.88 56.94 1uer h LEU 753 Cb 1.07 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.45 1uer h LEU 753 CO 1.13 1.16 -0.74 -0.22 0.09 0.00 0.00 178.44 179.86 1uer s LEU 754 N -8.06 0.53 -0.11 1.67 2.96 -1.16 -4.84 118.68 109.66 1uer s LEU 754 Ca -0.22 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1uer s LEU 754 Cb 0.03 -0.13 -0.00 0.00 0.50 0.00 0.00 46.19 46.59 1uer s LEU 754 CO 0.47 -0.20 -0.23 -0.83 -1.32 0.00 0.00 176.35 174.24 1uer s GLY 755 N 1.73 1.35 -0.19 7.98 0.00 -1.26 -1.03 107.32 115.89 1uer s GLY 755 Ca -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 1uer s GLY 755 CO -0.03 -0.29 0.00 -1.36 0.00 0.00 0.00 173.10 171.42 1uer s PHE 756 N 0.39 3.06 -0.26 1.90 0.08 -0.66 -4.76 117.98 117.73 1uer s PHE 756 Ca -0.17 -0.36 -0.28 0.00 0.12 0.00 0.00 56.93 56.24 1uer s PHE 756 Cb -0.18 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 1uer s PHE 756 CO 0.08 -0.15 0.98 0.34 -0.10 0.00 0.00 175.22 176.36 1uer s ASP 757 N 0.81 6.96 -0.10 1.36 -1.08 -1.26 -2.12 116.67 121.24 1uer s ASP 757 Ca 0.01 1.17 0.15 0.00 -0.52 0.00 0.00 52.55 53.35 1uer s ASP 757 Cb -0.14 -2.51 0.50 0.00 -1.46 0.00 0.00 42.92 39.31 1uer s ASP 757 CO 0.02 -0.68 1.42 1.33 0.52 0.00 0.00 175.17 177.78 1uer n VAL 758 N 5.45 1.72 -1.94 1.11 0.24 0.86 -4.82 118.33 120.95 1uer n VAL 758 Ca 0.10 -1.39 -0.40 0.00 -2.04 0.00 0.00 64.34 60.61 1uer n VAL 758 Cb 0.47 0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1uer n VAL 758 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1uer s TRP 759 N -1.92 2.72 0.56 6.34 0.52 -1.19 -4.40 118.94 121.56 1uer s TRP 759 Ca 0.38 1.31 0.27 0.00 0.02 0.00 0.00 56.10 58.07 1uer s TRP 759 Cb 0.26 -3.83 1.67 0.00 -1.15 0.00 0.00 33.47 30.42 1uer s TRP 759 CO 0.15 -2.49 2.22 0.93 0.02 0.00 0.00 176.95 177.78 1uer h GLU 760 N 2.84 0.00 0.00 4.98 5.08 -1.92 -1.77 114.58 123.79 1uer h GLU 760 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1uer h GLU 760 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1uer h GLU 760 CO 0.63 0.02 0.00 1.12 -1.00 0.00 0.00 179.01 179.78 1uer h HIS 761 N 0.00 0.00 0.00 4.33 2.07 -1.97 0.22 115.15 119.80 1uer h HIS 761 Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1uer h HIS 761 Cb 0.04 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.01 1uer h HIS 761 CO 0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 177.93 174.73 1uer h ALA 762 N 2.06 0.97 0.00 6.11 0.00 -1.63 -3.38 119.26 123.38 1uer h ALA 762 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uer h ALA 762 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1uer h ALA 762 CO 0.00 0.16 0.00 2.48 0.00 0.00 0.00 179.25 181.89 1uer n TYR 763 N -3.20 0.00 -0.29 0.00 0.18 -0.75 -4.95 117.16 108.15 1uer n TYR 763 Ca 0.01 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.77 1uer n TYR 763 Cb 0.45 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.55 1uer n TYR 763 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1uer h TYR 764 N 0.00 1.15 -0.21 -3.48 3.20 -0.78 0.85 116.97 117.69 1uer h TYR 764 Ca 0.00 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1uer h TYR 764 Cb 0.27 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1uer h TYR 764 CO 0.00 0.80 0.11 -0.07 -1.64 0.00 0.00 178.16 177.36 1uer h LEU 765 N 1.17 0.25 0.00 2.82 3.38 -1.86 -0.34 115.31 120.73 1uer h LEU 765 Ca 0.29 -0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.85 1uer h LEU 765 Cb 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1uer h LEU 765 CO -0.05 0.21 -2.47 0.41 0.09 0.00 0.00 178.44 176.63 1uer n THR 766 N -4.48 1.50 0.41 0.22 -1.04 -1.07 -4.72 114.28 105.11 1uer n THR 766 Ca 0.00 -0.54 0.09 0.00 -2.04 0.00 0.00 64.05 61.56 1uer n THR 766 Cb 0.10 -1.50 -0.12 0.00 -1.82 0.00 0.00 70.33 66.98 1uer n THR 766 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1uer n TYR 767 N -3.42 0.00 0.00 -1.42 4.02 0.27 -5.06 117.16 111.55 1uer n TYR 767 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1uer n TYR 767 Cb 0.97 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1uer n TYR 767 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1uer n GLN 768 N -1.79 0.00 0.00 -0.72 3.00 -0.14 -1.18 117.38 116.55 1uer n GLN 768 Ca -0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1uer n GLN 768 Cb 0.38 0.00 0.42 0.00 0.00 0.00 0.00 30.24 31.04 1uer n GLN 768 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1uer n ASN 769 N 3.32 0.00 -3.39 1.08 2.04 -1.26 -4.41 115.26 112.65 1uer n ASN 769 Ca 0.00 0.09 -0.40 0.00 -0.44 0.00 0.00 54.58 53.84 1uer n ASN 769 Cb 0.00 -0.31 -0.02 0.00 -2.53 0.00 0.00 39.78 36.92 1uer n ASN 769 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1uer n ARG 770 N -1.31 3.64 -0.25 -3.83 1.74 -0.33 -4.69 116.66 111.63 1uer n ARG 770 Ca 0.08 -2.35 -0.03 0.00 -0.77 0.00 0.00 57.85 54.77 1uer n ARG 770 Cb 0.14 -2.86 0.08 0.00 -1.02 0.00 0.00 32.46 28.80 1uer n ARG 770 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1uer h ARG 771 N 5.13 0.83 -0.64 5.56 2.43 -1.85 -2.55 114.38 123.29 1uer h ARG 771 Ca 0.82 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 60.01 1uer h ARG 771 Cb 0.34 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1uer h ARG 771 CO 1.78 0.55 0.32 0.00 -1.51 0.00 0.00 179.97 181.11 1uer h ALA 772 N 1.31 0.86 -0.74 2.80 0.00 -1.96 -0.82 119.26 120.70 1uer h ALA 772 Ca 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1uer h ALA 772 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1uer h ALA 772 CO -0.12 -0.04 0.43 -0.44 0.00 0.00 0.00 179.25 179.08 1uer h ASP 773 N 0.58 0.90 -0.56 0.00 3.32 -1.87 -1.46 116.42 117.33 1uer h ASP 773 Ca 0.30 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1uer h ASP 773 Cb 0.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1uer h ASP 773 CO -0.22 0.71 0.34 -0.74 -1.72 0.00 0.00 179.24 177.61 1uer h HIS 774 N 1.01 0.73 -0.49 4.55 2.76 -0.84 -1.25 115.15 121.62 1uer h HIS 774 Ca 0.26 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.35 1uer h HIS 774 Cb -0.01 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1uer h HIS 774 CO -0.01 0.50 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.03 1uer h LEU 775 N 0.76 0.81 -0.97 0.26 3.38 -0.86 -2.03 115.31 116.65 1uer h LEU 775 Ca 0.20 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1uer h LEU 775 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1uer h LEU 775 CO -0.04 0.89 -0.12 0.11 0.09 0.00 0.00 178.44 179.37 1uer h LYS 776 N 0.77 0.61 0.00 1.13 6.56 -0.88 -3.14 116.57 121.63 1uer h LYS 776 Ca 0.14 -0.19 -0.07 0.00 -1.06 0.00 0.00 60.65 59.48 1uer h LYS 776 Cb 0.50 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1uer h LYS 776 CO 0.02 0.72 -0.33 -0.44 -2.06 0.00 0.00 179.45 177.36 1uer h ASP 777 N 0.56 0.00 0.06 0.86 3.32 -0.77 -3.32 116.42 117.13 1uer h ASP 777 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1uer h ASP 777 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1uer h ASP 777 CO 0.03 0.33 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.76 1uer h LEU 778 N 0.00 0.00 -1.54 1.55 3.38 -1.33 -2.93 115.31 114.45 1uer h LEU 778 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1uer h LEU 778 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1uer h LEU 778 CO 0.04 0.05 0.49 -0.50 0.09 0.00 0.00 178.44 178.61 1uer h TRP 779 N 0.00 0.54 0.00 1.13 4.06 -1.72 -2.12 115.95 117.83 1uer h TRP 779 Ca -0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1uer h TRP 779 Cb 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1uer h TRP 779 CO 0.00 0.23 0.00 0.66 -3.56 0.00 0.00 178.44 175.77 1uer h SER 780 N 0.48 0.00 -0.23 -3.49 4.64 -1.78 -3.01 113.55 110.16 1uer h SER 780 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1uer h SER 780 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1uer h SER 780 CO -0.12 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.14 1uer n ILE 781 N -2.96 0.83 -2.55 0.95 -5.35 -0.80 -3.08 119.36 106.39 1uer n ILE 781 Ca -0.01 -0.92 -0.43 0.00 -0.27 0.00 0.00 62.75 61.13 1uer n ILE 781 Cb 0.21 0.61 -0.02 0.00 -1.74 0.00 0.00 39.64 38.70 1uer n ILE 781 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1uer s VAL 782 N -0.96 4.48 -0.76 7.28 1.01 -1.14 -1.13 120.40 129.19 1uer s VAL 782 Ca 0.17 1.79 -0.19 0.00 0.00 0.00 0.00 61.98 63.75 1uer s VAL 782 Cb 0.09 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.44 1uer s VAL 782 CO 0.12 -0.08 0.92 -0.62 0.00 0.00 0.00 175.10 175.45 1uer s ASP 783 N 1.45 6.41 0.66 3.32 -1.08 0.44 -1.92 116.67 125.95 1uer s ASP 783 Ca 0.51 -1.71 0.44 0.00 -0.52 0.00 0.00 52.55 51.27 1uer s ASP 783 Cb -0.20 -2.35 2.39 0.00 -1.46 0.00 0.00 42.92 41.29 1uer s ASP 783 CO 0.15 -1.10 2.36 -0.50 0.52 0.00 0.00 175.17 176.60 1uer h TRP 784 N 8.97 0.00 0.00 -5.34 4.06 -1.84 -1.12 115.95 120.69 1uer h TRP 784 Ca -0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.87 1uer h TRP 784 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1uer h TRP 784 CO 1.01 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 175.64 1uer n ASP 785 N -3.11 0.30 -0.03 -3.49 9.92 -1.26 -0.66 116.55 118.21 1uer n ASP 785 Ca -0.03 0.55 -0.21 0.00 -0.53 0.00 0.00 54.79 54.56 1uer n ASP 785 Cb 0.08 -0.62 -0.13 0.00 -0.64 0.00 0.00 41.12 39.81 1uer n ASP 785 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1uer n ILE 786 N -1.80 1.71 0.26 0.53 2.08 -0.44 -3.73 119.36 117.96 1uer n ILE 786 Ca 0.05 -0.52 0.14 0.00 0.56 0.00 0.00 62.75 62.97 1uer n ILE 786 Cb 0.29 -1.77 0.65 0.00 -0.75 0.00 0.00 39.64 38.05 1uer n ILE 786 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1uer h VAL 787 N -0.17 0.35 0.15 1.39 2.07 -1.30 -2.92 116.25 115.83 1uer h VAL 787 Ca -0.43 -0.71 -0.29 0.00 0.82 0.00 0.00 66.70 66.08 1uer h VAL 787 Cb 1.88 1.53 0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1uer h VAL 787 CO 0.00 0.11 -1.28 -0.33 0.02 0.00 0.00 177.57 176.10 1uer h GLU 788 N 0.00 0.42 -1.13 1.57 5.08 -1.04 -2.96 114.58 116.52 1uer h GLU 788 Ca -0.00 -0.65 -0.02 0.00 -1.00 0.00 0.00 59.36 57.69 1uer h GLU 788 Cb 0.52 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1uer h GLU 788 CO 0.01 1.30 0.03 -1.13 -1.00 0.00 0.00 179.01 178.22 1uer n SER 789 N -3.65 3.35 -2.56 1.42 3.41 -1.10 -2.23 113.62 112.27 1uer n SER 789 Ca -0.11 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1uer n SER 789 Cb 1.02 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1uer n SER 789 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uer n ARG 790 N 0.57 1.37 0.00 4.33 1.74 -1.12 -5.03 116.66 118.52 1uer n ARG 790 Ca 0.02 -2.95 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 1uer n ARG 790 Cb 0.54 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 1uer n ARG 790 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09