#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mqb s THR 606 N 0.00 4.94 -0.03 4.28 2.01 -1.26 -4.92 115.64 120.65 1mqb s THR 606 Ca 0.00 1.53 -0.28 0.00 0.31 0.00 0.00 61.69 63.25 1mqb s THR 606 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1mqb s THR 606 CO 0.00 0.09 0.90 -0.70 -0.69 0.00 0.00 174.62 174.22 1mqb s GLU 607 N 1.80 4.50 0.24 4.92 2.56 -1.26 -0.68 118.70 130.78 1mqb s GLU 607 Ca 0.37 1.25 0.10 0.00 0.00 0.00 0.00 54.97 56.70 1mqb s GLU 607 Cb -0.17 -3.47 -0.05 0.00 2.00 0.00 0.00 34.13 32.45 1mqb s GLU 607 CO 0.14 -0.06 -0.18 -1.50 -0.56 0.00 0.00 175.26 173.10 1mqb s ILE 608 N 1.09 2.17 -0.04 -3.70 -1.16 -0.40 -4.92 121.20 114.25 1mqb s ILE 608 Ca 0.47 -2.28 -0.22 0.00 -0.51 0.00 0.00 60.65 58.12 1mqb s ILE 608 Cb -0.20 -2.17 -0.05 0.00 0.61 0.00 0.00 42.46 40.66 1mqb s ILE 608 CO 0.24 -0.44 0.64 -2.28 -2.81 0.00 0.00 174.94 170.29 1mqb s HIS 609 N -2.56 3.62 0.62 3.50 5.65 -1.26 -4.63 115.29 120.23 1mqb s HIS 609 Ca 0.26 1.21 0.25 0.00 0.25 0.00 0.00 55.06 57.03 1mqb s HIS 609 Cb -0.04 -2.70 1.23 0.00 -1.18 0.00 0.00 32.58 29.88 1mqb s HIS 609 CO 0.11 0.21 1.67 -1.35 -0.65 0.00 0.00 174.74 174.74 1mqb h PRO 610 N 6.25 0.00 -0.08 2.88 0.11 -1.97 0.15 132.00 139.33 1mqb h PRO 610 Ca -0.43 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 1mqb h PRO 610 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1mqb h PRO 610 CO 0.73 0.00 -0.58 0.66 -0.21 0.00 0.00 178.00 178.60 1mqb h SER 611 N 0.00 0.29 1.49 -2.05 4.64 -2.00 -3.14 113.55 112.78 1mqb h SER 611 Ca 0.20 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1mqb h SER 611 Cb 1.52 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1mqb h SER 611 CO -0.00 0.80 0.00 0.00 -0.87 0.00 0.00 176.83 176.76 1mqb s VAL 613 N -3.29 5.35 -0.19 0.00 1.01 -1.19 0.23 120.40 122.32 1mqb s VAL 613 Ca 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1mqb s VAL 613 Cb 0.08 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.19 1mqb s VAL 613 CO 0.59 0.60 0.07 0.28 0.00 0.00 0.00 175.10 176.64 1mqb s THR 614 N -0.86 0.18 0.45 3.92 -1.32 0.38 -4.95 115.64 113.43 1mqb s THR 614 Ca 0.14 -0.38 -0.25 0.00 -1.21 0.00 0.00 61.69 59.99 1mqb s THR 614 Cb -0.12 -0.80 -0.08 0.00 -1.51 0.00 0.00 72.50 69.99 1mqb s THR 614 CO 0.03 -0.28 1.41 -0.13 -2.21 0.00 0.00 174.62 173.44 1mqb s ARG 615 N 2.01 3.71 0.00 7.08 0.52 -1.26 -1.81 118.95 129.20 1mqb s ARG 615 Ca 0.01 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 1mqb s ARG 615 Cb -0.16 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1mqb s ARG 615 CO -0.10 -0.79 0.00 1.04 0.02 0.00 0.00 175.30 175.47 1mqb n GLN 616 N -0.17 0.00 -3.83 3.54 6.02 0.00 -4.95 117.38 117.99 1mqb n GLN 616 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 1mqb n GLN 616 Cb 0.42 -0.38 -0.10 0.00 1.02 0.00 0.00 30.24 31.20 1mqb n GLN 616 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1mqb s LYS 617 N -2.00 0.45 0.15 -1.09 -2.85 -1.16 -4.99 119.74 108.24 1mqb s LYS 617 Ca 0.00 -0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 1mqb s LYS 617 Cb 0.00 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.89 1mqb s LYS 617 CO 0.00 -0.10 1.16 0.08 0.10 0.00 0.00 175.35 176.59 1mqb s VAL 618 N -0.93 3.81 -0.01 1.79 1.01 -1.26 -0.25 120.40 124.56 1mqb s VAL 618 Ca -0.10 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1mqb s VAL 618 Cb -0.05 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1mqb s VAL 618 CO 0.02 0.21 0.86 2.30 0.00 0.00 0.00 175.10 178.48 1mqb n ILE 619 N 2.84 0.72 0.00 2.22 -5.35 -0.23 -4.84 119.36 114.72 1mqb n ILE 619 Ca 0.05 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1mqb n ILE 619 Cb 0.46 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1mqb n ILE 619 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mqb n GLY 620 N -0.39 -0.41 2.86 3.28 0.00 -1.16 -4.98 105.19 104.38 1mqb n GLY 620 Ca 0.01 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1mqb n GLY 620 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mqb s ALA 621 N -2.00 -0.07 0.29 4.61 0.00 -1.26 -1.36 121.76 121.97 1mqb s ALA 621 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1mqb s ALA 621 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1mqb s ALA 621 CO 0.00 -0.09 0.01 0.41 0.00 0.00 0.00 175.76 176.08 1mqb n GLY 622 N 3.81 3.82 0.37 0.00 0.00 -0.41 -4.91 105.19 107.86 1mqb n GLY 622 Ca -0.22 -2.29 0.13 0.00 0.00 0.00 0.00 46.02 43.64 1mqb n GLY 622 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mqb h GLU 623 N 0.00 0.52 -0.01 1.61 4.81 -2.00 -3.17 114.58 116.34 1mqb h GLU 623 Ca -0.24 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1mqb h GLU 623 Cb 0.74 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1mqb h GLU 623 CO 0.40 0.34 -0.14 1.19 -0.73 0.00 0.00 179.01 180.07 1mqb n PHE 624 N -4.50 0.00 0.00 0.92 3.72 -1.26 -5.08 117.46 111.26 1mqb n PHE 624 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1mqb n PHE 624 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1mqb n PHE 624 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mqb n GLY 625 N 0.75 -0.30 3.82 1.37 0.00 -1.20 -1.02 105.19 108.62 1mqb n GLY 625 Ca 0.04 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1mqb n GLY 625 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mqb s GLU 626 N -1.79 3.44 -0.02 1.61 2.02 -1.26 -1.29 118.70 121.41 1mqb s GLU 626 Ca 0.00 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.13 1mqb s GLU 626 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1mqb s GLU 626 CO 0.00 -0.70 -0.19 0.08 0.02 0.00 0.00 175.26 174.47 1mqb s VAL 627 N -2.61 2.70 0.17 2.63 1.01 -0.47 -1.92 120.40 121.92 1mqb s VAL 627 Ca 0.61 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1mqb s VAL 627 Cb -0.14 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1mqb s VAL 627 CO 0.39 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.58 1mqb s TYR 628 N -0.75 1.44 0.17 5.22 1.51 -0.52 -1.07 117.35 123.35 1mqb s TYR 628 Ca 0.12 -0.70 -0.09 0.00 -1.01 0.00 0.00 57.07 55.39 1mqb s TYR 628 Cb -0.10 -0.71 -0.07 0.00 -0.11 0.00 0.00 41.96 40.97 1mqb s TYR 628 CO 0.01 0.17 0.48 0.21 -1.11 0.00 0.00 175.55 175.32 1mqb s LYS 629 N -3.72 3.77 0.00 -0.62 2.36 0.65 -0.28 119.74 121.91 1mqb s LYS 629 Ca 0.19 0.20 0.00 0.00 -2.55 0.00 0.00 55.97 53.81 1mqb s LYS 629 Cb 0.02 -2.80 0.00 0.00 -1.05 0.00 0.00 37.83 34.00 1mqb s LYS 629 CO 0.03 0.42 0.00 0.41 1.55 0.00 0.00 175.35 177.76 1mqb n GLY 630 N 0.23 2.72 2.79 5.54 0.00 0.25 -0.82 105.19 115.91 1mqb n GLY 630 Ca -0.03 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 1mqb n GLY 630 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mqb s MET 631 N 1.48 -0.01 -0.13 1.61 -1.94 -0.75 -1.51 119.30 118.06 1mqb s MET 631 Ca 0.00 0.36 -0.07 0.00 -1.71 0.00 0.00 55.69 54.27 1mqb s MET 631 Cb 0.00 -0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 1mqb s MET 631 CO 0.00 -0.24 0.12 -1.17 -0.01 0.00 0.00 175.02 173.72 1mqb s LEU 632 N 1.64 4.26 -0.39 -0.03 2.96 -0.27 -0.47 118.68 126.38 1mqb s LEU 632 Ca -0.03 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1mqb s LEU 632 Cb -0.12 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.61 1mqb s LEU 632 CO -0.04 0.36 0.17 -0.75 -1.32 0.00 0.00 176.35 174.76 1mqb s LYS 633 N -0.70 2.19 0.41 1.98 2.47 0.14 -1.13 119.74 125.09 1mqb s LYS 633 Ca 0.13 -1.65 0.22 0.00 -1.56 0.00 0.00 55.97 53.11 1mqb s LYS 633 Cb -0.12 -3.53 0.77 0.00 -1.46 0.00 0.00 37.83 33.49 1mqb s LYS 633 CO 0.03 -0.96 1.76 0.00 0.16 0.00 0.00 175.35 176.34 1mqb h THR 634 N 6.34 0.63 0.00 3.43 1.03 -1.97 -3.43 112.91 118.93 1mqb h THR 634 Ca -0.16 -1.31 0.00 0.00 -0.01 0.00 0.00 66.41 64.93 1mqb h THR 634 Cb 1.06 1.87 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 1mqb h THR 634 CO 0.67 0.27 0.00 0.29 -0.01 0.00 0.00 175.52 176.74 1mqb n LYS 638 N -3.39 0.00 -3.69 0.00 5.02 -1.26 -4.99 118.16 109.85 1mqb n LYS 638 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1mqb n LYS 638 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.40 1mqb n LYS 638 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1mqb s LYS 639 N 0.00 0.56 -0.14 1.97 -2.85 -1.26 -5.16 119.74 112.85 1mqb s LYS 639 Ca 0.00 0.79 -0.07 0.00 -1.00 0.00 0.00 55.97 55.68 1mqb s LYS 639 Cb 0.00 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1mqb s LYS 639 CO 0.00 -0.10 0.11 -2.00 0.10 0.00 0.00 175.35 173.46 1mqb s GLU 640 N 0.69 3.65 -0.02 1.78 2.12 -1.26 -4.58 118.70 121.08 1mqb s GLU 640 Ca -0.03 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1mqb s GLU 640 Cb -0.05 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1mqb s GLU 640 CO -0.05 0.59 0.00 0.54 -0.54 0.00 0.00 175.26 175.80 1mqb s VAL 641 N -0.49 0.10 0.56 3.70 0.11 -0.28 -4.97 120.40 119.13 1mqb s VAL 641 Ca 0.12 0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 59.01 1mqb s VAL 641 Cb -0.12 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1mqb s VAL 641 CO 0.02 0.09 1.34 -0.81 -3.33 0.00 0.00 175.10 172.41 1mqb n PRO 642 N 3.73 1.59 -3.79 1.54 -0.04 -1.26 -1.11 135.00 135.65 1mqb n PRO 642 Ca -0.22 0.59 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1mqb n PRO 642 Cb 0.54 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.36 1mqb n PRO 642 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mqb s VAL 643 N -1.31 0.09 0.13 0.52 -7.23 -0.57 -3.40 120.40 108.65 1mqb s VAL 643 Ca 0.73 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 60.05 1mqb s VAL 643 Cb -0.41 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 1mqb s VAL 643 CO 0.48 -0.43 0.42 0.00 -0.31 0.00 0.00 175.10 175.26 1mqb s ALA 644 N -2.58 3.72 -0.24 1.32 0.00 -0.64 -0.58 121.76 122.75 1mqb s ALA 644 Ca -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1mqb s ALA 644 Cb -0.01 -2.25 0.07 0.00 0.00 0.00 0.00 23.12 20.93 1mqb s ALA 644 CO -0.04 0.59 0.05 0.42 0.00 0.00 0.00 175.76 176.78 1mqb s ILE 645 N -1.58 0.77 -0.27 0.00 1.01 0.62 -1.70 121.20 120.06 1mqb s ILE 645 Ca 0.39 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 1mqb s ILE 645 Cb -0.13 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1mqb s ILE 645 CO 0.21 -0.36 0.68 -0.54 0.00 0.00 0.00 174.94 174.93 1mqb s LYS 646 N 1.72 4.07 0.24 2.79 1.02 0.04 -1.43 119.74 128.19 1mqb s LYS 646 Ca 0.02 0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.61 1mqb s LYS 646 Cb -0.17 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 1mqb s LYS 646 CO -0.14 -0.49 0.42 0.95 -0.92 0.00 0.00 175.35 175.17 1mqb s THR 647 N 2.64 5.20 -0.24 2.17 -4.23 -0.81 -0.90 115.64 119.46 1mqb s THR 647 Ca 0.28 -0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 60.19 1mqb s THR 647 Cb -0.15 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.88 1mqb s THR 647 CO 0.09 -0.30 0.02 -0.22 -0.54 0.00 0.00 174.62 173.67 1mqb s LEU 648 N -3.71 3.21 0.36 4.79 2.96 -0.25 -3.39 118.68 122.67 1mqb s LEU 648 Ca 0.38 -0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.68 1mqb s LEU 648 Cb -0.10 -1.83 -0.11 0.00 0.50 0.00 0.00 46.19 44.64 1mqb s LEU 648 CO 0.31 -0.04 1.49 -1.59 -1.32 0.00 0.00 176.35 175.20 1mqb s LYS 649 N 1.54 4.13 0.39 1.98 -2.85 -0.19 -4.28 119.74 120.47 1mqb s LYS 649 Ca 0.06 2.55 -0.25 0.00 -1.00 0.00 0.00 55.97 57.33 1mqb s LYS 649 Cb -0.15 -2.98 -0.11 0.00 -2.06 0.00 0.00 37.83 32.52 1mqb s LYS 649 CO 0.00 -0.52 0.98 0.00 0.10 0.00 0.00 175.35 175.91 1mqb n ALA 650 N 0.72 0.00 -0.51 0.59 0.00 -1.26 -1.73 120.51 118.33 1mqb n ALA 650 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1mqb n ALA 650 Cb 0.39 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1mqb n ALA 650 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mqb n GLY 651 N 1.23 0.76 3.46 0.00 0.00 -1.26 -5.04 105.19 104.33 1mqb n GLY 651 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1mqb n GLY 651 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1mqb n TYR 652 N -2.02 -0.33 -2.30 1.61 0.18 -0.70 -5.02 117.16 108.58 1mqb n TYR 652 Ca 0.00 0.65 -0.25 0.00 1.88 0.00 0.00 57.90 60.17 1mqb n TYR 652 Cb 0.00 -2.01 0.09 0.00 -0.38 0.00 0.00 39.34 37.04 1mqb n TYR 652 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1mqb s THR 653 N -1.39 2.25 0.13 -3.48 -4.23 -1.26 -4.92 115.64 102.74 1mqb s THR 653 Ca 0.63 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 1mqb s THR 653 Cb -0.64 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1mqb s THR 653 CO 0.58 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.29 1mqb h GLU 654 N -0.66 0.51 -0.70 3.99 4.57 -1.99 -1.58 114.58 118.71 1mqb h GLU 654 Ca -0.42 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 57.78 1mqb h GLU 654 Cb 1.29 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 1mqb h GLU 654 CO 0.52 0.45 0.33 -0.22 -1.18 0.00 0.00 179.01 178.91 1mqb h LYS 655 N 0.43 0.54 -0.34 1.92 3.64 -1.99 -0.64 116.57 120.14 1mqb h LYS 655 Ca 0.12 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 1mqb h LYS 655 Cb 0.11 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1mqb h LYS 655 CO -0.02 0.36 -0.36 1.96 -2.27 0.00 0.00 179.45 179.12 1mqb h GLN 656 N 0.56 0.78 -0.07 1.90 4.20 -1.87 -1.23 115.11 119.38 1mqb h GLN 656 Ca 0.35 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1mqb h GLN 656 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1mqb h GLN 656 CO -0.29 1.01 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.74 1mqb h ARG 657 N 0.64 -0.07 -0.20 1.46 2.43 -0.73 0.27 114.38 118.18 1mqb h ARG 657 Ca 0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1mqb h ARG 657 Cb 0.91 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1mqb h ARG 657 CO 0.08 -0.05 0.04 0.28 -1.51 0.00 0.00 179.97 178.82 1mqb h VAL 658 N -0.07 1.21 -0.74 0.20 2.07 -1.01 -1.09 116.25 116.82 1mqb h VAL 658 Ca 0.05 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1mqb h VAL 658 Cb 0.14 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1mqb h VAL 658 CO -0.11 0.22 0.49 0.44 0.02 0.00 0.00 177.57 178.63 1mqb h ASP 659 N 0.13 0.85 0.72 0.57 3.45 -1.13 0.14 116.42 121.15 1mqb h ASP 659 Ca 0.06 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 1mqb h ASP 659 Cb 0.29 -0.21 0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1mqb h ASP 659 CO 0.00 0.61 -0.35 0.15 -1.57 0.00 0.00 179.24 178.09 1mqb h PHE 660 N 1.00 -0.90 0.00 4.55 3.04 -0.01 -2.88 116.94 121.74 1mqb h PHE 660 Ca 0.27 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.17 1mqb h PHE 660 Cb -0.11 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1mqb h PHE 660 CO -0.00 -0.56 -0.17 -0.07 -2.02 0.00 0.00 178.31 175.49 1mqb h LEU 661 N -1.26 0.00 -0.09 0.59 3.38 -1.19 -3.01 115.31 113.73 1mqb h LEU 661 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1mqb h LEU 661 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1mqb h LEU 661 CO 0.16 0.17 0.04 1.23 0.09 0.00 0.00 178.44 180.14 1mqb h GLY 662 N 0.80 0.14 0.20 0.83 0.00 -0.61 -1.41 103.07 103.03 1mqb h GLY 662 Ca -0.00 -0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.42 1mqb h GLY 662 CO 0.02 0.07 0.54 -2.09 0.00 0.00 0.00 176.54 175.07 1mqb h GLU 663 N 0.03 0.70 -0.43 4.80 4.81 -1.36 0.25 114.58 123.37 1mqb h GLU 663 Ca 0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1mqb h GLU 663 Cb 0.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1mqb h GLU 663 CO -0.00 0.47 -0.02 0.00 -0.73 0.00 0.00 179.01 178.72 1mqb h ALA 664 N 1.60 1.16 -0.80 2.92 0.00 -1.49 -1.06 119.26 121.60 1mqb h ALA 664 Ca 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1mqb h ALA 664 Cb 0.75 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1mqb h ALA 664 CO -0.36 0.54 0.47 0.78 0.00 0.00 0.00 179.25 180.68 1mqb h GLY 665 N 0.95 1.16 0.62 0.00 0.00 0.50 0.53 103.07 106.83 1mqb h GLY 665 Ca 0.13 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1mqb h GLY 665 CO 0.02 0.47 -0.51 -2.22 0.00 0.00 0.00 176.54 174.30 1mqb h ILE 666 N 1.10 1.50 -0.24 2.60 2.04 -0.80 -3.05 117.51 120.66 1mqb h ILE 666 Ca 0.29 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 1mqb h ILE 666 Cb -0.03 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1mqb h ILE 666 CO -0.05 0.61 0.09 -0.03 0.00 0.00 0.00 178.15 178.77 1mqb h MET 667 N -0.33 0.34 0.00 2.37 4.05 -1.11 -2.69 114.93 117.56 1mqb h MET 667 Ca -0.07 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1mqb h MET 667 Cb 1.28 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1mqb h MET 667 CO 0.10 0.29 0.00 0.78 0.23 0.00 0.00 176.91 178.31 1mqb h GLY 668 N 0.48 0.00 1.56 1.39 0.00 -0.78 -2.42 103.07 103.31 1mqb h GLY 668 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1mqb h GLY 668 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 1mqb n GLN 669 N -2.86 0.33 -4.73 4.80 6.02 -1.01 -4.82 117.38 115.11 1mqb n GLN 669 Ca 0.03 0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.75 1mqb n GLN 669 Cb 0.40 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.04 1mqb n GLN 669 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1mqb s PHE 670 N -2.56 2.84 -0.27 1.08 2.99 -0.91 -5.09 117.98 116.05 1mqb s PHE 670 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 56.93 56.98 1mqb s PHE 670 Cb 0.15 -1.71 0.09 0.00 0.00 0.00 0.00 43.02 41.56 1mqb s PHE 670 CO 0.35 0.20 0.11 0.45 -0.00 0.00 0.00 175.22 176.33 1mqb s SER 671 N -0.60 3.40 -0.26 1.36 0.15 -1.26 -4.87 113.70 111.62 1mqb s SER 671 Ca 0.09 -1.21 -0.26 0.00 0.70 0.00 0.00 55.95 55.27 1mqb s SER 671 Cb -0.11 -0.43 0.08 0.00 -1.71 0.00 0.00 66.02 63.85 1mqb s SER 671 CO 0.02 -0.41 0.80 -2.28 1.20 0.00 0.00 173.24 172.56 1mqb s HIS 672 N 2.02 -0.69 0.30 3.44 5.04 -1.26 -5.07 115.29 119.06 1mqb s HIS 672 Ca 0.07 1.66 0.06 0.00 -1.54 0.00 0.00 55.06 55.31 1mqb s HIS 672 Cb -0.16 0.31 0.77 0.00 0.04 0.00 0.00 32.58 33.53 1mqb s HIS 672 CO -0.29 -0.36 1.74 1.25 -2.34 0.00 0.00 174.74 174.74 1mqb h HIS 673 N 4.62 0.93 -0.72 3.88 -0.00 -2.00 -1.93 115.15 119.93 1mqb h HIS 673 Ca -0.28 0.04 -0.40 0.00 -0.00 0.00 0.00 60.37 59.72 1mqb h HIS 673 Cb 1.16 -0.26 -0.23 0.00 -0.00 0.00 0.00 27.41 28.08 1mqb h HIS 673 CO 0.37 0.11 0.30 0.09 -0.00 0.00 0.00 177.93 178.79 1mqb n ASN 674 N -4.88 3.69 -3.88 3.26 3.02 -1.26 -4.82 115.26 110.39 1mqb n ASN 674 Ca 0.24 -3.72 -0.22 0.00 -0.03 0.00 0.00 54.58 50.85 1mqb n ASN 674 Cb 0.64 -0.75 -0.17 0.00 -0.61 0.00 0.00 39.78 38.89 1mqb n ASN 674 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mqb s ILE 675 N -3.51 0.61 0.19 2.41 -1.09 -0.73 -1.29 121.20 117.80 1mqb s ILE 675 Ca 0.52 -0.11 -0.33 0.00 -2.23 0.00 0.00 60.65 58.50 1mqb s ILE 675 Cb 0.45 -0.66 -0.14 0.00 -1.58 0.00 0.00 42.46 40.52 1mqb s ILE 675 CO 0.05 0.26 1.37 -0.38 -1.23 0.00 0.00 174.94 175.01 1mqb n ILE 676 N 4.42 0.63 -3.34 2.92 -0.00 -0.80 -4.61 119.36 118.58 1mqb n ILE 676 Ca -0.18 -0.16 -0.39 0.00 -0.00 0.00 0.00 62.75 62.02 1mqb n ILE 676 Cb 0.51 -1.25 -0.08 0.00 -0.00 0.00 0.00 39.64 38.82 1mqb n ILE 676 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1mqb s ARG 677 N -0.03 4.09 -0.25 0.38 3.52 -1.26 -4.98 118.95 120.41 1mqb s ARG 677 Ca 0.73 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 56.23 1mqb s ARG 677 Cb -0.74 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.03 1mqb s ARG 677 CO 0.48 -0.21 1.33 -1.17 -0.81 0.00 0.00 175.30 174.91 1mqb s LEU 678 N 1.87 3.96 0.21 -0.88 2.96 -1.26 -1.96 118.68 123.58 1mqb s LEU 678 Ca 0.18 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1mqb s LEU 678 Cb -0.15 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.18 1mqb s LEU 678 CO 0.09 -1.02 1.54 -0.33 -1.32 0.00 0.00 176.35 175.31 1mqb h GLU 679 N 9.17 0.43 0.00 1.98 4.39 -0.33 -3.49 114.58 126.74 1mqb h GLU 679 Ca -0.27 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1mqb h GLU 679 Cb 1.11 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1mqb h GLU 679 CO 1.01 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 180.14 1mqb n GLY 680 N 0.21 2.83 3.78 -3.84 0.00 -1.07 -4.68 105.19 102.42 1mqb n GLY 680 Ca -0.03 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 1mqb n GLY 680 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mqb s VAL 681 N -2.00 3.78 -0.30 1.61 -7.23 0.14 -0.66 120.40 115.74 1mqb s VAL 681 Ca 0.00 -1.54 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1mqb s VAL 681 Cb 0.00 -3.17 0.08 0.00 0.56 0.00 0.00 36.38 33.85 1mqb s VAL 681 CO 0.00 -0.28 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.85 1mqb s ILE 682 N -2.26 2.30 0.00 -0.62 1.01 -0.10 -1.28 121.20 120.25 1mqb s ILE 682 Ca 0.35 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1mqb s ILE 682 Cb -0.06 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1mqb s ILE 682 CO 0.24 -0.29 0.15 -1.54 0.00 0.00 0.00 174.94 173.50 1mqb n SER 683 N 4.37 0.30 0.01 3.58 3.41 -1.26 -1.83 113.62 122.20 1mqb n SER 683 Ca -0.06 -0.65 0.10 0.00 -0.26 0.00 0.00 58.87 58.00 1mqb n SER 683 Cb 0.42 0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 64.90 1mqb n SER 683 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mqb n LYS 684 N -0.67 0.65 -4.68 4.33 5.02 -1.26 -4.99 118.16 116.57 1mqb n LYS 684 Ca 0.00 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 55.87 1mqb n LYS 684 Cb 0.00 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 1mqb n LYS 684 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1mqb s TYR 685 N -3.41 1.85 0.45 2.13 2.02 -1.26 -5.14 117.35 113.98 1mqb s TYR 685 Ca -0.07 -1.07 0.07 0.00 -0.37 0.00 0.00 57.07 55.64 1mqb s TYR 685 Cb 0.13 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 1mqb s TYR 685 CO 0.88 0.05 0.39 0.15 -1.57 0.00 0.00 175.55 175.45 1mqb s LYS 686 N -3.81 2.45 0.00 -0.62 3.01 -1.26 -3.68 119.74 115.82 1mqb s LYS 686 Ca 0.12 -1.65 0.00 0.00 -1.01 0.00 0.00 55.97 53.43 1mqb s LYS 686 Cb 0.02 -2.31 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 1mqb s LYS 686 CO 0.07 -0.30 0.00 -2.30 0.51 0.00 0.00 175.35 173.33 1mqb n PRO 687 N -1.60 0.00 -2.35 -1.68 -0.01 -1.26 -5.02 135.00 123.09 1mqb n PRO 687 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 63.50 63.12 1mqb n PRO 687 Cb 0.62 0.00 -0.03 0.00 -0.01 0.00 0.00 33.50 34.08 1mqb n PRO 687 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 175.50 173.85 1mqb s MET 688 N 0.00 4.44 0.09 -0.52 -1.94 -1.24 -4.92 119.30 115.20 1mqb s MET 688 Ca 0.00 1.91 0.03 0.00 -1.71 0.00 0.00 55.69 55.92 1mqb s MET 688 Cb 0.00 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 1mqb s MET 688 CO 0.00 -0.01 -0.09 -1.64 -0.01 0.00 0.00 175.02 173.27 1mqb s MET 689 N -1.74 0.80 -0.14 2.03 1.00 -0.76 -1.08 119.30 119.40 1mqb s MET 689 Ca 0.48 -1.15 0.02 0.00 0.00 0.00 0.00 55.69 55.04 1mqb s MET 689 Cb -0.33 -0.41 0.02 0.00 0.00 0.00 0.00 34.83 34.10 1mqb s MET 689 CO 0.43 0.05 -0.18 0.42 0.00 0.00 0.00 175.02 175.75 1mqb s ILE 690 N -2.60 1.78 -0.23 2.53 1.01 -0.08 -0.92 121.20 122.69 1mqb s ILE 690 Ca 0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1mqb s ILE 690 Cb -0.02 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1mqb s ILE 690 CO -0.01 0.49 0.02 -0.63 0.00 0.00 0.00 174.94 174.81 1mqb s ILE 691 N 1.10 3.97 0.33 2.92 -1.09 0.16 -0.78 121.20 127.81 1mqb s ILE 691 Ca -0.02 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1mqb s ILE 691 Cb -0.14 -2.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1mqb s ILE 691 CO -0.06 0.39 0.06 0.42 -1.23 0.00 0.00 174.94 174.52 1mqb s THR 692 N 1.37 1.19 0.39 2.92 -4.23 -0.69 0.44 115.64 117.03 1mqb s THR 692 Ca 0.05 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.28 1mqb s THR 692 Cb -0.15 -2.78 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 1mqb s THR 692 CO 0.01 0.00 1.43 -1.83 -0.54 0.00 0.00 174.62 173.70 1mqb s GLU 693 N -3.88 4.02 0.08 3.99 -1.05 -0.83 -1.62 118.70 119.41 1mqb s GLU 693 Ca 0.36 2.46 -0.30 0.00 -0.15 0.00 0.00 54.97 57.34 1mqb s GLU 693 Cb 0.09 -2.89 -0.05 0.00 -0.44 0.00 0.00 34.13 30.83 1mqb s GLU 693 CO 0.16 -0.56 1.08 -0.47 0.95 0.00 0.00 175.26 176.42 1mqb s TYR 694 N -1.15 3.59 -0.37 4.83 6.04 -1.22 -4.18 117.35 124.89 1mqb s TYR 694 Ca 0.55 1.56 0.00 0.00 0.04 0.00 0.00 57.07 59.22 1mqb s TYR 694 Cb -0.44 -3.25 0.10 0.00 -1.04 0.00 0.00 41.96 37.33 1mqb s TYR 694 CO 0.59 -0.55 0.12 -1.64 -1.54 0.00 0.00 175.55 172.53 1mqb s MET 695 N 0.52 1.80 0.24 4.97 -1.94 -1.26 -4.94 119.30 118.68 1mqb s MET 695 Ca 0.53 -1.81 -0.06 0.00 -1.71 0.00 0.00 55.69 52.64 1mqb s MET 695 Cb -0.26 -3.39 0.32 0.00 2.01 0.00 0.00 34.83 33.51 1mqb s MET 695 CO 0.30 -0.98 1.86 0.93 -0.01 0.00 0.00 175.02 177.12 1mqb h GLU 696 N 7.85 0.97 -0.16 2.03 5.08 -1.86 -2.46 114.58 126.03 1mqb h GLU 696 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1mqb h GLU 696 Cb 1.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1mqb h GLU 696 CO 0.61 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 179.35 1mqb n ASN 697 N -4.60 1.72 0.00 1.42 5.03 -0.50 -4.97 115.26 113.36 1mqb n ASN 697 Ca 0.12 -1.70 0.00 0.00 0.87 0.00 0.00 54.58 53.87 1mqb n ASN 697 Cb 0.16 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 1mqb n ASN 697 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mqb n GLY 698 N 1.15 0.23 3.79 7.41 0.00 -0.93 -4.50 105.19 112.34 1mqb n GLY 698 Ca 0.17 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1mqb n GLY 698 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mqb s ALA 699 N -1.46 2.92 0.04 4.61 0.00 -1.26 -1.04 121.76 125.58 1mqb s ALA 699 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1mqb s ALA 699 Cb 0.00 -3.27 -0.22 0.00 0.00 0.00 0.00 23.12 19.63 1mqb s ALA 699 CO 0.00 -0.33 1.17 1.25 0.00 0.00 0.00 175.76 177.84 1mqb h LEU 700 N 1.82 0.72 -1.20 0.00 5.85 -0.87 -1.49 115.31 120.14 1mqb h LEU 700 Ca -0.49 -0.72 -0.03 0.00 0.84 0.00 0.00 57.88 57.48 1mqb h LEU 700 Cb 1.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1mqb h LEU 700 CO 0.60 1.35 0.24 -2.24 -0.34 0.00 0.00 178.44 178.05 1mqb h ASP 701 N 0.17 0.72 0.15 1.25 2.03 -1.83 -0.79 116.42 118.12 1mqb h ASP 701 Ca -0.09 -0.08 -0.25 0.00 -0.73 0.00 0.00 57.03 55.88 1mqb h ASP 701 Cb 1.44 -0.18 0.03 0.00 -0.83 0.00 0.00 39.33 39.79 1mqb h ASP 701 CO 0.15 0.63 -1.09 0.50 -1.03 0.00 0.00 179.24 178.41 1mqb h LYS 702 N 0.79 0.47 -0.33 4.15 3.64 -1.89 -2.74 116.57 120.65 1mqb h LYS 702 Ca 0.19 -0.71 0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1mqb h LYS 702 Cb 0.13 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1mqb h LYS 702 CO -0.02 1.32 -0.04 0.35 -2.27 0.00 0.00 179.45 178.79 1mqb h PHE 703 N -0.03 -0.09 0.00 1.91 3.57 -0.89 -2.31 116.94 119.10 1mqb h PHE 703 Ca -0.18 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 1mqb h PHE 703 Cb 1.82 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.65 1mqb h PHE 703 CO 0.15 -0.10 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.86 1mqb h LEU 704 N 0.05 0.00 -0.34 0.59 3.38 -1.20 -2.19 115.31 115.60 1mqb h LEU 704 Ca 0.16 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1mqb h LEU 704 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1mqb h LEU 704 CO -0.30 0.20 -0.61 0.03 0.09 0.00 0.00 178.44 177.84 1mqb h ARG 705 N 0.00 0.73 0.00 1.13 3.08 -1.14 -2.65 114.38 115.53 1mqb h ARG 705 Ca -0.00 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 1mqb h ARG 705 Cb 0.38 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1mqb h ARG 705 CO 0.03 1.12 -0.11 0.93 -1.07 0.00 0.00 179.97 180.87 1mqb h GLU 706 N 0.55 0.00 -0.37 0.04 5.08 -0.99 -3.25 114.58 115.64 1mqb h GLU 706 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 1mqb h GLU 706 Cb 1.20 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 1mqb h GLU 706 CO 0.13 0.11 -0.67 1.63 -1.00 0.00 0.00 179.01 179.20 1mqb n LYS 707 N -3.25 2.57 -1.67 2.33 4.76 -0.86 -5.06 118.16 116.97 1mqb n LYS 707 Ca 0.00 -3.72 -0.46 0.00 -2.87 0.00 0.00 58.31 51.27 1mqb n LYS 707 Cb 0.37 -1.92 -0.04 0.00 -1.84 0.00 0.00 35.03 31.59 1mqb n LYS 707 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1mqb n ASP 708 N -0.89 3.19 -0.59 4.39 2.03 -1.01 -1.02 116.55 122.64 1mqb n ASP 708 Ca 0.31 1.06 -0.08 0.00 0.52 0.00 0.00 54.79 56.60 1mqb n ASP 708 Cb 0.83 -1.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.78 1mqb n ASP 708 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mqb n GLY 709 N 3.60 0.80 1.06 0.27 0.00 -1.26 -4.90 105.19 104.76 1mqb n GLY 709 Ca 0.18 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1mqb n GLY 709 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mqb n GLU 710 N -0.77 2.38 -4.27 1.61 1.02 -0.19 -4.92 120.64 115.49 1mqb n GLU 710 Ca -0.08 -2.16 -0.29 0.00 -0.02 0.00 0.00 57.16 54.62 1mqb n GLU 710 Cb 0.50 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 1mqb n GLU 710 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1mqb s PHE 711 N -1.52 2.63 0.63 -0.32 2.99 -1.26 -5.11 117.98 116.02 1mqb s PHE 711 Ca 0.35 -0.22 -0.16 0.00 0.00 0.00 0.00 56.93 56.90 1mqb s PHE 711 Cb 0.21 -1.36 -0.01 0.00 0.00 0.00 0.00 43.02 41.86 1mqb s PHE 711 CO 0.30 0.44 1.11 -1.54 -0.00 0.00 0.00 175.22 175.52 1mqb s SER 712 N -2.37 5.28 0.58 1.36 1.04 -1.26 -4.92 113.70 113.41 1mqb s SER 712 Ca 0.21 2.00 0.27 0.00 0.48 0.00 0.00 55.95 58.92 1mqb s SER 712 Cb -0.10 -2.55 1.60 0.00 0.10 0.00 0.00 66.02 65.06 1mqb s SER 712 CO 0.13 -1.52 2.10 0.58 0.98 0.00 0.00 173.24 175.51 1mqb h VAL 713 N 0.25 0.55 -0.01 5.02 2.07 -1.99 -2.10 116.25 120.03 1mqb h VAL 713 Ca -0.47 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.79 1mqb h VAL 713 Cb 1.25 0.85 0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1mqb h VAL 713 CO 0.55 0.00 -0.99 0.25 0.02 0.00 0.00 177.57 177.40 1mqb h LEU 714 N 0.00 0.89 -1.18 2.57 5.85 -1.97 -2.12 115.31 119.36 1mqb h LEU 714 Ca 0.09 -0.73 -0.05 0.00 0.84 0.00 0.00 57.88 58.04 1mqb h LEU 714 Cb 0.49 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1mqb h LEU 714 CO -0.00 1.50 0.04 1.56 -0.34 0.00 0.00 178.44 181.20 1mqb h GLN 715 N 0.37 0.61 -0.26 1.25 4.20 -1.83 -0.36 115.11 119.10 1mqb h GLN 715 Ca -0.12 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 1mqb h GLN 715 Cb 1.64 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.33 1mqb h GLN 715 CO 0.20 0.61 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.62 1mqb h LEU 716 N 0.59 0.70 -0.42 1.46 3.38 -1.36 -1.93 115.31 117.72 1mqb h LEU 716 Ca 0.13 -0.48 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 1mqb h LEU 716 Cb 0.31 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1mqb h LEU 716 CO 0.01 1.03 -0.57 0.58 0.09 0.00 0.00 178.44 179.58 1mqb h VAL 717 N 0.37 1.31 -0.06 1.22 2.07 -1.27 -1.81 116.25 118.08 1mqb h VAL 717 Ca 0.04 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1mqb h VAL 717 Cb 0.84 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1mqb h VAL 717 CO 0.07 0.57 -0.03 1.23 0.02 0.00 0.00 177.57 179.43 1mqb h GLY 718 N 0.92 0.09 1.11 2.17 0.00 -1.08 -0.06 103.07 106.23 1mqb h GLY 718 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1mqb h GLY 718 CO 0.11 0.04 -0.10 -0.33 0.00 0.00 0.00 176.54 176.26 1mqb h MET 719 N 0.08 1.04 -0.00 4.80 2.07 -0.81 -1.88 114.93 120.23 1mqb h MET 719 Ca 0.02 -0.38 -0.12 0.00 -2.07 0.00 0.00 59.70 57.15 1mqb h MET 719 Cb 0.11 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 1mqb h MET 719 CO 0.00 1.07 -0.59 -0.07 1.07 0.00 0.00 176.91 178.39 1mqb h LEU 720 N 0.92 0.00 -0.35 1.22 3.38 -0.72 -1.94 115.31 117.83 1mqb h LEU 720 Ca 0.14 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 1mqb h LEU 720 Cb 0.67 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1mqb h LEU 720 CO 0.05 0.59 -0.81 0.08 0.09 0.00 0.00 178.44 178.44 1mqb h ARG 721 N 0.00 0.28 0.88 1.13 -0.00 -0.86 -0.53 114.38 115.28 1mqb h ARG 721 Ca -0.01 -0.27 -0.04 0.00 -0.00 0.00 0.00 59.98 59.66 1mqb h ARG 721 Cb 1.05 0.07 0.01 0.00 -0.00 0.00 0.00 29.97 31.09 1mqb h ARG 721 CO 0.08 0.95 -0.43 0.78 -0.00 0.00 0.00 179.97 181.34 1mqb h GLY 722 N 1.56 -1.25 -0.22 0.08 0.00 -1.04 0.56 103.07 102.76 1mqb h GLY 722 Ca -0.04 0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.85 1mqb h GLY 722 CO 0.13 -0.45 -0.32 -2.22 0.00 0.00 0.00 176.54 173.68 1mqb h ILE 723 N -1.19 0.23 -0.46 2.60 2.04 -1.36 -1.97 117.51 117.40 1mqb h ILE 723 Ca -0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1mqb h ILE 723 Cb 0.92 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1mqb h ILE 723 CO 0.19 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.48 1mqb h ALA 724 N 0.86 0.54 -0.36 1.87 0.00 -0.79 -0.54 119.26 120.84 1mqb h ALA 724 Ca 0.19 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1mqb h ALA 724 Cb 0.53 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1mqb h ALA 724 CO -0.57 -0.25 -0.26 0.00 0.00 0.00 0.00 179.25 178.16 1mqb h ALA 725 N 1.32 -0.07 -0.92 0.00 0.00 -0.37 0.28 119.26 119.50 1mqb h ALA 725 Ca 0.22 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1mqb h ALA 725 Cb 0.24 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1mqb h ALA 725 CO -0.25 -0.65 0.59 0.78 0.00 0.00 0.00 179.25 179.72 1mqb h GLY 726 N -0.21 1.36 2.00 0.00 0.00 -0.73 0.17 103.07 105.66 1mqb h GLY 726 Ca 0.17 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1mqb h GLY 726 CO -0.48 0.37 -0.35 -0.33 0.00 0.00 0.00 176.54 175.74 1mqb h MET 727 N 1.14 0.00 -0.34 4.80 2.86 -0.28 -0.85 114.93 122.25 1mqb h MET 727 Ca 0.37 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.92 1mqb h MET 727 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1mqb h MET 727 CO -0.13 0.35 -0.18 -0.22 1.06 0.00 0.00 176.91 177.79 1mqb h LYS 728 N 0.00 0.72 0.03 1.72 3.64 0.22 -1.54 116.57 121.36 1mqb h LYS 728 Ca -0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1mqb h LYS 728 Cb 0.74 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1mqb h LYS 728 CO 0.05 0.93 -0.04 -0.92 -2.27 0.00 0.00 179.45 177.19 1mqb h TYR 729 N 0.50 -0.11 -0.43 1.91 3.20 -0.56 -1.56 116.97 119.91 1mqb h TYR 729 Ca 0.07 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1mqb h TYR 729 Cb 0.72 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 1mqb h TYR 729 CO 0.06 -0.07 0.22 -0.07 -1.64 0.00 0.00 178.16 176.66 1mqb h LEU 730 N -0.10 0.33 -1.24 2.82 3.38 -1.15 -1.82 115.31 117.53 1mqb h LEU 730 Ca 0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1mqb h LEU 730 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1mqb h LEU 730 CO -0.02 0.24 -0.33 0.00 0.09 0.00 0.00 178.44 178.41 1mqb h ALA 731 N 1.22 1.37 -0.39 1.53 0.00 -1.14 -0.23 119.26 121.63 1mqb h ALA 731 Ca 0.18 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1mqb h ALA 731 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1mqb h ALA 731 CO -0.12 0.46 -0.16 -0.91 0.00 0.00 0.00 179.25 178.52 1mqb h ASN 732 N 0.08 0.81 0.00 0.00 2.35 -0.89 -2.67 115.58 115.25 1mqb h ASN 732 Ca 0.01 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1mqb h ASN 732 Cb 0.62 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1mqb h ASN 732 CO 0.05 1.02 0.00 0.23 -1.65 0.00 0.00 177.43 177.08 1mqb n MET 733 N -4.29 0.54 -1.77 0.81 2.81 -0.72 -4.84 117.12 109.66 1mqb n MET 733 Ca -0.02 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.67 1mqb n MET 733 Cb 0.40 -1.07 -0.07 0.00 -0.71 0.00 0.00 33.22 31.77 1mqb n MET 733 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1mqb n ASN 734 N -0.32 -5.58 -4.55 7.83 5.03 -1.00 -4.95 115.26 111.72 1mqb n ASN 734 Ca 0.00 0.40 -0.40 0.00 0.87 0.00 0.00 54.58 55.45 1mqb n ASN 734 Cb 0.03 -4.83 -0.10 0.00 -1.02 0.00 0.00 39.78 33.86 1mqb n ASN 734 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1mqb s TYR 735 N -2.83 3.22 -0.38 3.10 5.04 -0.17 -4.99 117.35 120.34 1mqb s TYR 735 Ca 0.00 -0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.40 1mqb s TYR 735 Cb 0.00 -2.54 0.01 0.00 0.35 0.00 0.00 41.96 39.78 1mqb s TYR 735 CO 0.00 -0.35 0.46 0.08 -1.34 0.00 0.00 175.55 174.40 1mqb s VAL 736 N 1.86 5.06 0.14 3.14 1.01 -1.26 -4.00 120.40 126.35 1mqb s VAL 736 Ca 0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1mqb s VAL 736 Cb -0.17 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1mqb s VAL 736 CO 0.11 -0.30 1.73 -0.74 0.00 0.00 0.00 175.10 175.89 1mqb h HIS 737 N 8.61 0.56 0.00 5.22 2.76 -1.95 -3.47 115.15 126.87 1mqb h HIS 737 Ca -0.28 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1mqb h HIS 737 Cb 1.12 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1mqb h HIS 737 CO 0.68 0.46 0.00 0.54 -1.30 0.00 0.00 177.93 178.30 1mqb n ARG 738 N -4.71 0.00 -2.77 5.26 1.74 -1.26 -4.74 116.66 110.18 1mqb n ARG 738 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1mqb n ARG 738 Cb 0.10 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1mqb n ARG 738 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1mqb n ASP 739 N 0.00 1.60 -4.71 0.55 4.64 -1.26 -5.00 116.55 112.37 1mqb n ASP 739 Ca 0.00 -2.28 -0.42 0.00 -1.38 0.00 0.00 54.79 50.71 1mqb n ASP 739 Cb 0.00 -0.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.56 1mqb n ASP 739 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1mqb s LEU 740 N -3.58 4.36 0.01 -2.67 2.96 -1.26 -4.85 118.68 113.65 1mqb s LEU 740 Ca 0.28 1.64 -0.28 0.00 -0.22 0.00 0.00 54.13 55.54 1mqb s LEU 740 Cb 0.37 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.60 1mqb s LEU 740 CO -0.01 -0.26 0.82 0.00 -1.32 0.00 0.00 176.35 175.57 1mqb s ALA 741 N 1.03 -1.78 0.41 5.97 0.00 -1.26 -4.74 121.76 121.39 1mqb s ALA 741 Ca 0.51 1.00 0.11 0.00 0.00 0.00 0.00 51.96 53.59 1mqb s ALA 741 Cb -0.21 0.33 0.88 0.00 0.00 0.00 0.00 23.12 24.13 1mqb s ALA 741 CO 0.27 -0.62 1.96 0.00 0.00 0.00 0.00 175.76 177.37 1mqb h ALA 742 N 2.18 1.61 0.00 0.00 0.00 -1.93 -0.74 119.26 120.38 1mqb h ALA 742 Ca -0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mqb h ALA 742 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1mqb h ALA 742 CO 0.33 0.29 0.00 2.89 0.00 0.00 0.00 179.25 182.76 1mqb n ARG 743 N -4.31 0.16 -0.73 0.00 1.85 -1.26 -2.38 116.66 109.98 1mqb n ARG 743 Ca -0.01 0.51 0.04 0.00 -1.00 0.00 0.00 57.85 57.40 1mqb n ARG 743 Cb 0.24 -1.89 0.31 0.00 -1.05 0.00 0.00 32.46 30.07 1mqb n ARG 743 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1mqb n ASN 744 N -2.21 4.60 -4.33 2.89 3.02 -0.28 -4.70 115.26 114.25 1mqb n ASN 744 Ca 0.01 -3.09 -0.32 0.00 -0.03 0.00 0.00 54.58 51.15 1mqb n ASN 744 Cb 0.14 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.51 1mqb n ASN 744 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mqb s ILE 745 N -2.88 2.38 0.23 2.41 -1.09 -1.00 -1.15 121.20 120.11 1mqb s ILE 745 Ca 0.49 -0.95 0.09 0.00 -2.23 0.00 0.00 60.65 58.05 1mqb s ILE 745 Cb 0.39 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1mqb s ILE 745 CO 0.11 0.57 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.59 1mqb s LEU 746 N -0.24 3.09 0.01 2.97 1.02 -0.47 -0.81 118.68 124.26 1mqb s LEU 746 Ca -0.01 -0.63 0.03 0.00 0.02 0.00 0.00 54.13 53.54 1mqb s LEU 746 Cb -0.13 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 1mqb s LEU 746 CO 0.03 0.04 -0.08 -0.69 0.02 0.00 0.00 176.35 175.67 1mqb s VAL 747 N -2.10 0.65 0.50 -1.59 1.01 -0.20 -0.73 120.40 117.94 1mqb s VAL 747 Ca 0.29 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1mqb s VAL 747 Cb -0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1mqb s VAL 747 CO 0.18 0.06 0.14 0.54 0.00 0.00 0.00 175.10 176.02 1mqb s ASN 748 N -0.51 4.29 0.36 3.32 6.03 -0.93 -1.41 114.94 126.09 1mqb s ASN 748 Ca 0.01 -1.46 0.15 0.00 -1.03 0.00 0.00 52.86 50.53 1mqb s ASN 748 Cb -0.05 0.33 1.03 0.00 -3.03 0.00 0.00 41.25 39.54 1mqb s ASN 748 CO 0.00 -0.87 1.74 0.28 -2.03 0.00 0.00 177.10 176.21 1mqb h SER 749 N 1.21 0.53 -0.19 3.54 0.02 -1.92 0.23 113.55 116.97 1mqb h SER 749 Ca -0.42 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1mqb h SER 749 Cb 1.30 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1mqb h SER 749 CO 0.69 0.06 0.00 0.59 -1.14 0.00 0.00 176.83 177.03 1mqb n ASN 750 N -4.77 1.42 -0.10 3.07 3.02 -1.26 -4.95 115.26 111.69 1mqb n ASN 750 Ca 0.27 -1.77 -0.01 0.00 -0.03 0.00 0.00 54.58 53.04 1mqb n ASN 750 Cb 0.87 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.91 1mqb n ASN 750 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1mqb n LEU 751 N 0.19 0.00 -4.72 3.41 4.77 0.79 -5.02 117.00 116.42 1mqb n LEU 751 Ca 0.14 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1mqb n LEU 751 Cb 0.27 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1mqb n LEU 751 CO 0.10 -0.16 1.09 -0.69 -1.33 0.00 0.00 177.39 176.40 1mqb s VAL 752 N -1.95 3.03 -0.18 4.08 1.01 -1.26 -4.75 120.40 120.38 1mqb s VAL 752 Ca 0.00 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 1mqb s VAL 752 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1mqb s VAL 752 CO 0.00 0.08 0.03 0.00 0.00 0.00 0.00 175.10 175.21 1mqb s LYS 754 N 0.42 1.92 0.09 0.00 1.02 0.09 -3.95 119.74 119.33 1mqb s LYS 754 Ca 0.01 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1mqb s LYS 754 Cb -0.13 -1.62 -0.07 0.00 -0.52 0.00 0.00 37.83 35.49 1mqb s LYS 754 CO 0.01 0.21 1.31 0.08 -0.92 0.00 0.00 175.35 176.05 1mqb s VAL 755 N 0.14 3.61 0.09 3.17 1.01 -0.41 -1.36 120.40 126.66 1mqb s VAL 755 Ca -0.07 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1mqb s VAL 755 Cb -0.13 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1mqb s VAL 755 CO 0.03 0.08 0.02 -0.24 0.00 0.00 0.00 175.10 175.00 1mqb n SER 756 N 4.02 1.38 -3.05 3.32 2.88 -0.30 -1.91 113.62 119.95 1mqb n SER 756 Ca 0.11 -1.47 -0.07 0.00 -1.33 0.00 0.00 58.87 56.11 1mqb n SER 756 Cb 0.44 0.18 0.01 0.00 -0.75 0.00 0.00 64.21 64.08 1mqb n SER 756 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1mqb n ASP 757 N -1.69 -7.54 -4.39 -3.46 4.64 -1.26 -4.81 116.55 98.04 1mqb n ASP 757 Ca -0.02 0.11 -0.35 0.00 -1.38 0.00 0.00 54.79 53.15 1mqb n ASP 757 Cb 0.13 -4.90 -0.13 0.00 -1.04 0.00 0.00 41.12 35.19 1mqb n ASP 757 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1mqb s PHE 758 N -2.75 3.00 0.00 -0.67 0.40 -1.26 -4.99 117.98 111.70 1mqb s PHE 758 Ca 0.12 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1mqb s PHE 758 Cb -0.03 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.41 1mqb s PHE 758 CO 0.78 -0.37 0.00 0.41 0.70 0.00 0.00 175.22 176.74 1mqb n GLY 759 N 4.48 -0.53 0.00 4.36 0.00 -1.26 -4.57 105.19 107.66 1mqb n GLY 759 Ca -0.17 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1mqb n GLY 759 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mqb n LEU 760 N 0.00 0.00 0.00 0.99 7.99 -1.26 -5.08 117.00 119.64 1mqb n LEU 760 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1mqb n LEU 760 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1mqb n LEU 760 CO 0.00 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.05 1mqb n LYS 778 N 0.00 0.00 -3.04 3.23 3.00 -1.26 -5.22 118.16 114.87 1mqb n LYS 778 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1mqb n LYS 778 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1mqb n LYS 778 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1mqb s ILE 779 N -1.43 4.93 0.39 3.15 1.01 -1.26 -5.04 121.20 122.95 1mqb s ILE 779 Ca 0.00 1.27 -0.25 0.00 0.00 0.00 0.00 60.65 61.67 1mqb s ILE 779 Cb 0.00 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 1mqb s ILE 779 CO 0.00 -0.01 1.09 -2.16 0.00 0.00 0.00 174.94 173.86 1mqb s PRO 780 N 2.62 4.18 0.23 2.79 0.04 -1.26 -4.95 135.00 138.64 1mqb s PRO 780 Ca 0.29 1.63 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1mqb s PRO 780 Cb -0.15 -2.64 0.36 0.00 0.04 0.00 0.00 34.50 32.10 1mqb s PRO 780 CO 0.08 -0.16 1.77 0.82 0.04 0.00 0.00 177.00 179.56 1mqb h ILE 781 N 2.31 0.83 -0.00 0.56 1.08 -1.96 -3.13 117.51 117.19 1mqb h ILE 781 Ca -0.48 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1mqb h ILE 781 Cb 1.22 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1mqb h ILE 781 CO 0.63 0.11 0.00 -2.11 -0.69 0.00 0.00 178.15 176.09 1mqb n ARG 782 N -4.87 1.18 -0.06 2.37 0.00 -1.26 -1.05 116.66 112.97 1mqb n ARG 782 Ca 0.12 -0.26 0.12 0.00 -0.00 0.00 0.00 57.85 57.83 1mqb n ARG 782 Cb 0.29 -1.49 0.27 0.00 -0.00 0.00 0.00 32.46 31.52 1mqb n ARG 782 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1mqb n TRP 783 N -0.68 0.15 -4.97 2.89 8.01 -1.18 -4.99 117.44 116.66 1mqb n TRP 783 Ca 0.23 -0.07 -0.32 0.00 -1.31 0.00 0.00 57.50 56.02 1mqb n TRP 783 Cb 0.18 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.34 1mqb n TRP 783 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1mqb s THR 784 N -1.85 2.85 0.30 -0.99 2.01 -0.22 -3.85 115.64 113.90 1mqb s THR 784 Ca 0.33 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1mqb s THR 784 Cb 0.20 -2.10 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 1mqb s THR 784 CO 0.31 0.58 1.37 0.00 -0.69 0.00 0.00 174.62 176.19 1mqb s ALA 785 N -0.59 3.55 0.25 7.40 0.00 -1.26 -4.84 121.76 126.27 1mqb s ALA 785 Ca 0.09 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 1mqb s ALA 785 Cb -0.11 -3.52 0.50 0.00 0.00 0.00 0.00 23.12 20.00 1mqb s ALA 785 CO 0.01 -0.71 1.70 -1.00 0.00 0.00 0.00 175.76 175.75 1mqb h PRO 786 N 3.94 0.32 -0.59 0.00 0.13 -1.93 -1.28 132.00 132.59 1mqb h PRO 786 Ca -0.48 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1mqb h PRO 786 Cb 1.22 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1mqb h PRO 786 CO 0.70 0.21 0.14 1.05 -0.23 0.00 0.00 178.00 179.86 1mqb h GLU 787 N 0.33 0.95 -0.36 0.86 9.09 -1.91 -0.98 114.58 122.55 1mqb h GLU 787 Ca 0.44 -0.23 0.05 0.00 0.05 0.00 0.00 59.36 59.67 1mqb h GLU 787 Cb 0.75 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.71 1mqb h GLU 787 CO -0.49 0.88 0.25 0.00 0.05 0.00 0.00 179.01 179.69 1mqb h ALA 788 N 1.03 1.99 0.18 1.06 0.00 -1.33 -0.87 119.26 121.32 1mqb h ALA 788 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1mqb h ALA 788 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mqb h ALA 788 CO 0.00 -0.06 -0.09 0.82 0.00 0.00 0.00 179.25 179.93 1mqb h ILE 789 N 0.27 0.67 0.02 0.00 2.04 -0.71 -2.24 117.51 117.57 1mqb h ILE 789 Ca 0.16 -1.09 -0.27 0.00 1.00 0.00 0.00 64.86 64.65 1mqb h ILE 789 Cb 0.28 1.15 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1mqb h ILE 789 CO -0.03 0.18 -1.09 0.77 0.00 0.00 0.00 178.15 177.98 1mqb h SER 790 N -0.93 0.91 -0.07 1.72 4.64 -1.11 -3.30 113.55 115.42 1mqb h SER 790 Ca -0.02 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1mqb h SER 790 Cb 0.48 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1mqb h SER 790 CO 0.04 1.56 0.00 -1.22 -0.87 0.00 0.00 176.83 176.34 1mqb n TYR 791 N -3.84 0.06 -2.90 4.77 4.02 -0.35 -4.98 117.16 113.93 1mqb n TYR 791 Ca -0.12 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.90 57.54 1mqb n TYR 791 Cb 0.91 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.23 1mqb n TYR 791 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1mqb n ARG 792 N 1.00 -3.32 -3.05 -0.72 1.74 -0.84 -4.92 116.66 106.54 1mqb n ARG 792 Ca 0.11 0.69 -0.45 0.00 -0.77 0.00 0.00 57.85 57.43 1mqb n ARG 792 Cb 0.45 -5.41 -0.02 0.00 -1.02 0.00 0.00 32.46 26.45 1mqb n ARG 792 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1mqb s LYS 793 N -5.55 3.63 -0.33 5.56 2.47 -1.21 -4.93 119.74 119.39 1mqb s LYS 793 Ca 0.22 -2.03 -0.23 0.00 -1.56 0.00 0.00 55.97 52.37 1mqb s LYS 793 Cb -0.11 -4.78 0.00 0.00 -1.46 0.00 0.00 37.83 31.49 1mqb s LYS 793 CO 0.27 -1.62 0.75 -0.06 0.16 0.00 0.00 175.35 174.85 1mqb s PHE 794 N 1.84 3.17 0.13 4.03 0.40 -1.26 -3.58 117.98 122.71 1mqb s PHE 794 Ca 0.29 0.68 0.01 0.00 -0.60 0.00 0.00 56.93 57.31 1mqb s PHE 794 Cb -0.06 -3.23 -0.00 0.00 0.51 0.00 0.00 43.02 40.23 1mqb s PHE 794 CO -0.09 -0.60 0.03 0.25 0.70 0.00 0.00 175.22 175.51 1mqb n THR 795 N 5.59 0.00 0.25 0.64 -2.24 -1.26 -4.98 114.28 112.28 1mqb n THR 795 Ca 0.03 -0.73 0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1mqb n THR 795 Cb 0.48 0.22 0.62 0.00 -2.10 0.00 0.00 70.33 69.55 1mqb n THR 795 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mqb h SER 796 N 0.46 0.00 1.06 3.42 0.02 -1.96 -2.30 113.55 114.24 1mqb h SER 796 Ca -0.11 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.68 1mqb h SER 796 Cb 0.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1mqb h SER 796 CO 0.17 0.16 -0.79 0.00 -1.14 0.00 0.00 176.83 175.24 1mqb h ALA 797 N 1.84 0.55 -0.90 3.77 0.00 -1.94 -2.15 119.26 120.43 1mqb h ALA 797 Ca -0.00 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1mqb h ALA 797 Cb 0.52 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1mqb h ALA 797 CO 0.02 0.98 0.59 1.03 0.00 0.00 0.00 179.25 181.88 1mqb h SER 798 N 0.00 1.02 0.74 0.00 0.87 -1.76 -2.71 113.55 111.70 1mqb h SER 798 Ca -0.01 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1mqb h SER 798 Cb 1.53 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1mqb h SER 798 CO 0.10 0.73 -0.43 0.44 -0.53 0.00 0.00 176.83 177.14 1mqb h ASP 799 N 1.20 0.00 -0.35 6.23 3.32 -1.07 -2.74 116.42 123.00 1mqb h ASP 799 Ca 0.34 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 1mqb h ASP 799 Cb -0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1mqb h ASP 799 CO -0.08 0.43 -0.38 0.58 -1.72 0.00 0.00 179.24 178.06 1mqb h VAL 800 N 0.00 1.28 -0.46 -1.35 2.07 -1.12 0.09 116.25 116.76 1mqb h VAL 800 Ca -0.00 -1.56 0.08 0.00 0.82 0.00 0.00 66.70 66.04 1mqb h VAL 800 Cb 0.91 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 1mqb h VAL 800 CO 0.06 0.52 0.04 -0.25 0.02 0.00 0.00 177.57 177.95 1mqb h TRP 801 N 0.68 0.06 -0.84 1.57 2.91 -1.20 -1.67 115.95 117.46 1mqb h TRP 801 Ca 0.05 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.13 1mqb h TRP 801 Cb 0.97 0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.62 1mqb h TRP 801 CO 0.07 -0.05 0.54 0.77 -1.03 0.00 0.00 178.44 178.74 1mqb h SER 802 N 0.16 0.90 -0.36 2.65 0.02 -1.30 -2.18 113.55 113.45 1mqb h SER 802 Ca 0.23 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1mqb h SER 802 Cb 0.32 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1mqb h SER 802 CO -0.34 0.62 0.18 0.15 -1.14 0.00 0.00 176.83 176.30 1mqb h PHE 803 N 1.06 0.55 -0.63 3.45 3.04 -0.41 -0.75 116.94 123.26 1mqb h PHE 803 Ca 0.33 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.25 1mqb h PHE 803 Cb -0.01 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.30 1mqb h PHE 803 CO -0.02 0.43 0.32 0.78 -2.02 0.00 0.00 178.31 177.79 1mqb h GLY 804 N 0.70 0.97 1.02 2.40 0.00 -0.68 0.03 103.07 107.49 1mqb h GLY 804 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1mqb h GLY 804 CO -0.02 0.45 0.42 -2.22 0.00 0.00 0.00 176.54 175.16 1mqb h ILE 805 N 0.87 1.24 -0.70 2.60 1.08 -1.04 -1.09 117.51 120.47 1mqb h ILE 805 Ca 0.22 -0.62 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1mqb h ILE 805 Cb 0.10 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 1mqb h ILE 805 CO -0.03 0.27 0.43 0.58 -0.69 0.00 0.00 178.15 178.71 1mqb h VAL 806 N 1.10 1.19 -0.71 1.67 2.07 -0.87 0.22 116.25 120.92 1mqb h VAL 806 Ca 0.27 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1mqb h VAL 806 Cb 0.06 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1mqb h VAL 806 CO -0.04 0.20 0.46 0.24 0.02 0.00 0.00 177.57 178.45 1mqb h MET 807 N 0.96 0.94 -0.28 1.57 2.86 0.25 0.14 114.93 121.38 1mqb h MET 807 Ca 0.25 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 1mqb h MET 807 Cb -0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1mqb h MET 807 CO -0.05 0.63 -0.34 2.35 1.06 0.00 0.00 176.91 180.56 1mqb h TRP 808 N 0.96 0.70 -0.25 -0.22 7.01 -0.65 0.21 115.95 123.72 1mqb h TRP 808 Ca 0.26 -0.19 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1mqb h TRP 808 Cb -0.09 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 1mqb h TRP 808 CO -0.02 0.87 0.15 0.93 -2.79 0.00 0.00 178.44 177.57 1mqb h GLU 809 N 0.51 0.35 -0.27 2.65 5.08 -0.48 -1.23 114.58 121.18 1mqb h GLU 809 Ca 0.05 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1mqb h GLU 809 Cb 0.84 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1mqb h GLU 809 CO 0.07 0.29 -0.05 0.28 -1.00 0.00 0.00 179.01 178.60 1mqb h VAL 810 N 0.31 1.28 0.00 3.13 2.07 -0.20 0.44 116.25 123.28 1mqb h VAL 810 Ca 0.09 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1mqb h VAL 810 Cb 0.03 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1mqb h VAL 810 CO -0.02 0.33 0.00 0.24 0.02 0.00 0.00 177.57 178.15 1mqb h MET 811 N 0.27 0.00 -0.65 1.57 2.86 -0.93 -1.62 114.93 116.43 1mqb h MET 811 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1mqb h MET 811 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1mqb h MET 811 CO 0.02 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.24 1mqb n THR 812 N -3.03 1.81 -4.11 2.22 -2.24 -0.47 -4.79 114.28 103.67 1mqb n THR 812 Ca 0.01 -1.12 -0.29 0.00 -2.27 0.00 0.00 64.05 60.38 1mqb n THR 812 Cb 0.35 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1mqb n THR 812 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1mqb n TYR 813 N 0.99 -1.56 -0.27 4.78 4.02 -0.61 -3.28 117.16 121.23 1mqb n TYR 813 Ca 0.24 0.72 0.00 0.00 -0.01 0.00 0.00 57.90 58.86 1mqb n TYR 813 Cb 0.88 -3.32 0.00 0.00 -0.02 0.00 0.00 39.34 36.88 1mqb n TYR 813 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1mqb n GLY 814 N -1.98 0.84 3.77 2.72 0.00 0.12 -3.55 105.19 107.11 1mqb n GLY 814 Ca -0.23 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1mqb n GLY 814 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mqb s GLU 815 N -0.58 3.40 -0.22 1.61 2.56 -1.21 -4.91 118.70 119.34 1mqb s GLU 815 Ca 0.00 1.77 -0.29 0.00 0.00 0.00 0.00 54.97 56.45 1mqb s GLU 815 Cb 0.00 -2.15 -0.01 0.00 2.00 0.00 0.00 34.13 33.97 1mqb s GLU 815 CO 0.00 -0.85 1.29 0.50 -0.56 0.00 0.00 175.26 175.64 1mqb s ARG 816 N -3.06 4.10 0.09 4.30 3.52 -1.26 -4.69 118.95 121.95 1mqb s ARG 816 Ca 0.70 1.50 -0.35 0.00 -0.13 0.00 0.00 55.73 57.46 1mqb s ARG 816 Cb -0.28 -3.82 -0.14 0.00 -1.56 0.00 0.00 34.95 29.15 1mqb s ARG 816 CO 0.33 -0.88 1.57 -2.30 -0.81 0.00 0.00 175.30 173.20 1mqb n PRO 817 N 6.91 1.89 -1.36 5.12 -0.02 -1.26 -0.43 135.00 145.85 1mqb n PRO 817 Ca 0.14 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1mqb n PRO 817 Cb 0.45 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 1mqb n PRO 817 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1mqb n TYR 818 N 3.71 0.00 -0.20 6.00 4.01 -1.26 -4.86 117.16 124.55 1mqb n TYR 818 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1mqb n TYR 818 Cb 0.26 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 36.94 1mqb n TYR 818 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1mqb n TRP 819 N -2.58 0.00 0.19 -0.72 8.01 0.43 -0.90 117.44 121.87 1mqb n TRP 819 Ca -0.12 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.12 1mqb n TRP 819 Cb 0.44 0.00 0.22 0.00 -2.01 0.00 0.00 31.31 29.96 1mqb n TRP 819 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1mqb n GLU 820 N 14.00 2.76 -1.87 -0.99 4.71 -1.26 -4.95 120.64 133.04 1mqb n GLU 820 Ca 0.00 -1.72 -0.38 0.00 -0.01 0.00 0.00 57.16 55.05 1mqb n GLU 820 Cb 0.00 -1.70 0.03 0.00 -1.01 0.00 0.00 31.44 28.76 1mqb n GLU 820 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1mqb s LEU 821 N -1.36 3.86 0.58 -4.62 1.43 -0.08 -5.00 118.68 113.49 1mqb s LEU 821 Ca 0.31 2.66 -0.09 0.00 -1.03 0.00 0.00 54.13 55.98 1mqb s LEU 821 Cb 0.20 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1mqb s LEU 821 CO 0.13 -1.48 0.96 -0.94 0.23 0.00 0.00 176.35 175.25 1mqb s SER 822 N -1.07 6.14 0.43 2.29 1.04 -1.26 -4.85 113.70 116.41 1mqb s SER 822 Ca 0.71 1.21 0.16 0.00 0.48 0.00 0.00 55.95 58.51 1mqb s SER 822 Cb -0.38 -2.32 1.05 0.00 0.10 0.00 0.00 66.02 64.48 1mqb s SER 822 CO 0.44 -0.83 1.93 0.78 0.98 0.00 0.00 173.24 176.54 1mqb h ASN 823 N -0.18 0.38 0.44 7.02 2.35 -1.99 -0.54 115.58 123.07 1mqb h ASN 823 Ca -0.45 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.30 1mqb h ASN 823 Cb 1.20 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1mqb h ASN 823 CO 0.62 0.20 -0.21 -0.74 -1.65 0.00 0.00 177.43 175.65 1mqb h HIS 824 N 0.41 -0.55 -0.40 1.19 2.76 -2.00 -1.84 115.15 114.72 1mqb h HIS 824 Ca 0.36 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.59 1mqb h HIS 824 Cb 0.81 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.86 1mqb h HIS 824 CO -0.00 -0.23 -0.30 0.93 -1.30 0.00 0.00 177.93 177.03 1mqb h GLU 825 N -0.91 -0.22 -0.68 5.26 3.07 -1.84 0.04 114.58 119.31 1mqb h GLU 825 Ca -0.06 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1mqb h GLU 825 Cb 0.57 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.44 1mqb h GLU 825 CO 0.10 -0.15 0.21 0.28 -1.40 0.00 0.00 179.01 178.05 1mqb h VAL 826 N -0.23 0.64 -0.06 3.13 2.07 -1.08 0.17 116.25 120.90 1mqb h VAL 826 Ca 0.18 -0.12 -0.22 0.00 0.82 0.00 0.00 66.70 67.36 1mqb h VAL 826 Cb 0.52 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1mqb h VAL 826 CO -0.53 0.06 -0.87 0.00 0.02 0.00 0.00 177.57 176.25 1mqb h MET 827 N 0.35 0.57 -0.40 1.57 -0.00 -0.80 -2.25 114.93 113.98 1mqb h MET 827 Ca 0.36 -0.54 0.04 0.00 -0.00 0.00 0.00 59.70 59.57 1mqb h MET 827 Cb 0.54 0.13 -0.04 0.00 -0.00 0.00 0.00 31.60 32.24 1mqb h MET 827 CO -0.41 1.16 0.16 -0.22 -0.00 0.00 0.00 176.91 177.61 1mqb h LYS 828 N 0.36 0.33 0.25 -0.10 3.64 0.18 -0.69 116.57 120.54 1mqb h LYS 828 Ca -0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1mqb h LYS 828 Cb 1.49 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 1mqb h LYS 828 CO 0.16 0.22 -0.22 0.00 -2.27 0.00 0.00 179.45 177.34 1mqb h ALA 829 N 1.24 -0.47 -0.42 5.00 0.00 -0.68 -0.75 119.26 123.17 1mqb h ALA 829 Ca 0.18 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1mqb h ALA 829 Cb 0.14 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1mqb h ALA 829 CO -0.16 -0.79 0.12 0.82 0.00 0.00 0.00 179.25 179.24 1mqb h ILE 830 N -0.49 0.83 0.00 0.00 1.08 -1.05 -0.22 117.51 117.66 1mqb h ILE 830 Ca -0.01 -0.09 -0.08 0.00 -0.39 0.00 0.00 64.86 64.29 1mqb h ILE 830 Cb 0.45 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1mqb h ILE 830 CO -0.03 0.05 -0.36 0.78 -0.69 0.00 0.00 178.15 177.90 1mqb h ASN 831 N 0.27 0.00 0.00 1.72 2.35 -1.08 -2.91 115.58 115.94 1mqb h ASN 831 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1mqb h ASN 831 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1mqb h ASN 831 CO -0.23 0.36 0.00 0.47 -1.65 0.00 0.00 177.43 176.38 1mqb n ASP 832 N -3.72 0.00 0.00 5.81 10.43 -0.15 -4.88 116.55 124.04 1mqb n ASP 832 Ca -0.01 -1.64 0.00 0.00 2.57 0.00 0.00 54.79 55.71 1mqb n ASP 832 Cb 0.45 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.41 1mqb n ASP 832 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mqb n GLY 833 N 0.42 0.48 3.41 0.44 0.00 -1.10 -5.04 105.19 103.80 1mqb n GLY 833 Ca 0.03 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1mqb n GLY 833 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mqb s PHE 834 N -2.00 2.61 0.30 1.61 0.08 -0.89 -5.04 117.98 114.65 1mqb s PHE 834 Ca 0.00 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.75 1mqb s PHE 834 Cb 0.00 -1.62 -0.06 0.00 -0.57 0.00 0.00 43.02 40.77 1mqb s PHE 834 CO 0.00 0.05 0.04 1.03 -0.10 0.00 0.00 175.22 176.24 1mqb s ARG 835 N -0.52 1.58 0.48 0.44 1.81 -1.26 -3.73 118.95 117.75 1mqb s ARG 835 Ca 0.07 -1.86 -0.24 0.00 -1.72 0.00 0.00 55.73 51.98 1mqb s ARG 835 Cb -0.11 -0.81 -0.07 0.00 -0.45 0.00 0.00 34.95 33.51 1mqb s ARG 835 CO 0.01 -0.17 1.36 -0.51 -0.68 0.00 0.00 175.30 175.31 1mqb s LEU 836 N -3.45 4.02 0.76 2.53 1.43 -1.26 -4.97 118.68 117.75 1mqb s LEU 836 Ca 0.35 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 56.10 1mqb s LEU 836 Cb 0.08 -4.08 0.05 0.00 0.03 0.00 0.00 46.19 42.26 1mqb s LEU 836 CO 0.14 -1.25 1.10 -2.16 0.23 0.00 0.00 176.35 174.41 1mqb s PRO 837 N -2.61 2.39 0.24 1.29 0.04 -1.26 -4.95 135.00 130.14 1mqb s PRO 837 Ca 0.64 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1mqb s PRO 837 Cb -0.40 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1mqb s PRO 837 CO 0.50 -1.39 1.34 -0.08 0.04 0.00 0.00 177.00 177.41 1mqb s THR 838 N -3.25 2.95 0.62 1.26 -1.32 -1.26 -4.97 115.64 109.67 1mqb s THR 838 Ca 0.60 0.82 -0.19 0.00 -1.21 0.00 0.00 61.69 61.71 1mqb s THR 838 Cb -0.13 -3.52 -0.02 0.00 -1.51 0.00 0.00 72.50 67.31 1mqb s THR 838 CO 0.53 0.14 1.29 -2.84 -2.21 0.00 0.00 174.62 171.54 1mqb s PRO 839 N -0.57 2.73 0.08 7.08 0.02 -1.26 -4.95 135.00 138.13 1mqb s PRO 839 Ca 0.56 2.06 -0.37 0.00 0.02 0.00 0.00 61.00 63.27 1mqb s PRO 839 Cb -0.39 -1.94 -0.16 0.00 0.02 0.00 0.00 34.50 32.03 1mqb s PRO 839 CO 0.43 -1.45 1.39 -0.12 -0.33 0.00 0.00 177.00 176.91 1mqb n MET 840 N -1.68 1.25 -2.28 5.54 1.56 -1.26 -2.51 117.12 117.74 1mqb n MET 840 Ca 0.14 0.45 -0.19 0.00 -0.27 0.00 0.00 57.70 57.84 1mqb n MET 840 Cb 0.48 -2.11 -0.02 0.00 2.15 0.00 0.00 33.22 33.72 1mqb n MET 840 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1mqb n ASP 841 N 2.76 -5.38 -4.68 6.12 8.00 -1.26 -4.95 116.55 117.17 1mqb n ASP 841 Ca 0.19 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 1mqb n ASP 841 Cb 0.20 -4.54 -0.03 0.00 -0.02 0.00 0.00 41.12 36.74 1mqb n ASP 841 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mqb n PRO 843 N 5.30 0.93 -0.16 0.00 -0.02 -1.26 -1.18 135.00 138.61 1mqb n PRO 843 Ca 0.09 0.33 -0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1mqb n PRO 843 Cb 0.48 -1.75 0.25 0.00 -0.02 0.00 0.00 33.50 32.46 1mqb n PRO 843 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1mqb h SER 844 N 1.17 0.78 0.06 2.55 0.87 -1.20 -1.78 113.55 116.01 1mqb h SER 844 Ca -0.42 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 59.95 1mqb h SER 844 Cb 1.37 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1mqb h SER 844 CO 0.54 0.64 -0.42 0.00 -0.53 0.00 0.00 176.83 177.06 1mqb h ALA 845 N 1.49 0.92 -0.12 6.23 0.00 -1.86 -1.82 119.26 124.10 1mqb h ALA 845 Ca 0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1mqb h ALA 845 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mqb h ALA 845 CO -0.03 0.63 -0.31 0.82 0.00 0.00 0.00 179.25 180.36 1mqb h ILE 846 N 0.37 1.38 -0.40 0.00 1.08 -1.77 -1.17 117.51 117.00 1mqb h ILE 846 Ca 0.03 -1.61 0.01 0.00 -0.39 0.00 0.00 64.86 62.89 1mqb h ILE 846 Cb 0.89 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 1mqb h ILE 846 CO 0.08 0.48 0.26 0.22 -0.69 0.00 0.00 178.15 178.49 1mqb h TYR 847 N -0.01 0.49 -0.52 1.37 -0.00 -1.36 -2.08 116.97 114.87 1mqb h TYR 847 Ca -0.01 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.66 1mqb h TYR 847 Cb 0.92 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.47 1mqb h TYR 847 CO 0.11 0.30 0.02 1.96 -0.00 0.00 0.00 178.16 180.55 1mqb h GLN 848 N 0.53 0.90 -0.75 1.82 1.08 -1.30 -1.73 115.11 115.66 1mqb h GLN 848 Ca 0.15 -0.28 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1mqb h GLN 848 Cb -0.04 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.26 1mqb h GLN 848 CO -0.05 0.92 0.49 1.25 -0.95 0.00 0.00 178.83 180.50 1mqb h LEU 849 N 0.77 0.73 -0.41 1.46 5.85 -1.06 0.21 115.31 122.87 1mqb h LEU 849 Ca 0.15 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 1mqb h LEU 849 Cb 0.50 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1mqb h LEU 849 CO 0.02 0.48 -0.66 0.00 -0.34 0.00 0.00 178.44 177.94 1mqb h MET 850 N 0.84 0.52 0.00 1.25 -0.00 -0.83 -0.97 114.93 115.74 1mqb h MET 850 Ca 0.32 -0.39 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 1mqb h MET 850 Cb 0.18 0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1mqb h MET 850 CO -0.10 1.01 -0.17 0.52 -0.00 0.00 0.00 176.91 178.17 1mqb h MET 851 N 0.38 0.00 -0.30 -0.10 2.86 -0.55 -1.21 114.93 116.00 1mqb h MET 851 Ca -0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1mqb h MET 851 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1mqb h MET 851 CO 0.12 0.17 -0.36 1.96 1.06 0.00 0.00 176.91 179.85 1mqb h GLN 852 N 0.00 0.69 0.00 1.72 4.20 0.00 -2.81 115.11 118.91 1mqb h GLN 852 Ca -0.00 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.35 1mqb h GLN 852 Cb 0.30 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1mqb h GLN 852 CO 0.02 0.94 -0.10 0.00 -0.67 0.00 0.00 178.83 179.03 1mqb n TRP 854 N -3.26 2.51 -2.10 0.00 8.01 -0.55 -3.59 117.44 118.47 1mqb n TRP 854 Ca 0.00 -1.64 -0.41 0.00 -1.31 0.00 0.00 57.50 54.14 1mqb n TRP 854 Cb 0.34 -0.79 -0.03 0.00 -2.01 0.00 0.00 31.31 28.82 1mqb n TRP 854 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1mqb s GLN 855 N -3.21 4.32 0.27 -0.99 -0.21 -1.18 -4.92 119.66 113.74 1mqb s GLN 855 Ca 0.54 2.20 -0.01 0.00 0.02 0.00 0.00 55.36 58.11 1mqb s GLN 855 Cb 0.45 -3.15 0.48 0.00 1.00 0.00 0.00 33.01 31.79 1mqb s GLN 855 CO 0.09 -0.36 1.86 0.37 -2.12 0.00 0.00 175.29 175.13 1mqb h GLN 856 N 5.28 1.04 -5.54 2.91 5.75 -1.94 -3.39 115.11 119.23 1mqb h GLN 856 Ca -0.45 -0.06 -0.60 0.00 -0.15 0.00 0.00 58.65 57.38 1mqb h GLN 856 Cb 1.22 -0.23 -0.11 0.00 1.07 0.00 0.00 27.48 29.42 1mqb h GLN 856 CO 0.78 0.69 0.10 -1.83 -2.65 0.00 0.00 178.83 175.92 1mqb s GLU 857 N -6.00 4.15 0.37 1.69 -1.05 -1.26 -4.87 118.70 111.73 1mqb s GLU 857 Ca -0.12 0.52 0.17 0.00 -0.15 0.00 0.00 54.97 55.39 1mqb s GLU 857 Cb 0.21 -3.62 0.72 0.00 -0.44 0.00 0.00 34.13 31.00 1mqb s GLU 857 CO 0.81 -0.32 1.77 0.07 0.95 0.00 0.00 175.26 178.54 1mqb h ARG 858 N 7.73 0.00 0.00 -4.83 0.11 -1.96 -2.16 114.38 113.27 1mqb h ARG 858 Ca -0.29 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.76 1mqb h ARG 858 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 1mqb h ARG 858 CO 0.76 0.39 -0.12 0.00 0.10 0.00 0.00 179.97 181.10 1mqb h ALA 859 N 1.61 1.35 0.00 0.08 0.00 -1.93 -2.19 119.26 118.17 1mqb h ALA 859 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mqb h ALA 859 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1mqb h ALA 859 CO 0.05 0.15 -0.75 0.00 0.00 0.00 0.00 179.25 178.70 1mqb h ARG 860 N 0.00 0.00 -7.04 0.00 3.08 -1.77 -3.47 114.38 105.18 1mqb h ARG 860 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1mqb h ARG 860 Cb 0.31 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.51 1mqb h ARG 860 CO 0.02 0.14 0.48 0.54 -1.07 0.00 0.00 179.97 180.07 1mqb n ARG 861 N -2.91 1.27 -2.08 0.04 1.74 -0.83 -4.95 116.66 108.94 1mqb n ARG 861 Ca -0.01 0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 57.22 1mqb n ARG 861 Cb 0.63 -2.48 0.02 0.00 -1.02 0.00 0.00 32.46 29.60 1mqb n ARG 861 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mqb s PRO 862 N -3.10 3.17 0.61 5.56 0.04 -1.26 -5.02 135.00 135.00 1mqb s PRO 862 Ca 0.78 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 1mqb s PRO 862 Cb -0.40 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1mqb s PRO 862 CO 0.44 -0.97 0.94 0.15 0.04 0.00 0.00 177.00 177.60 1mqb s LYS 863 N -3.63 2.90 0.37 4.56 1.02 -1.26 -4.89 119.74 118.81 1mqb s LYS 863 Ca 0.70 0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.81 1mqb s LYS 863 Cb -0.22 -2.23 0.72 0.00 -0.52 0.00 0.00 37.83 35.59 1mqb s LYS 863 CO 0.33 -0.77 1.98 0.74 -0.92 0.00 0.00 175.35 176.70 1mqb h PHE 864 N -0.27 0.57 0.00 3.18 -1.00 -1.92 -1.56 116.94 115.95 1mqb h PHE 864 Ca -0.45 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.25 1mqb h PHE 864 Cb 1.26 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 1mqb h PHE 864 CO 0.47 0.44 -0.32 0.00 -1.61 0.00 0.00 178.31 177.30 1mqb h ALA 865 N 1.62 1.44 -0.34 2.45 0.00 -1.93 -0.93 119.26 121.58 1mqb h ALA 865 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1mqb h ALA 865 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1mqb h ALA 865 CO -0.02 0.40 0.07 -0.44 0.00 0.00 0.00 179.25 179.26 1mqb h ASP 866 N 0.00 0.53 0.32 0.00 3.32 -1.67 -2.84 116.42 116.07 1mqb h ASP 866 Ca -0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1mqb h ASP 866 Cb 0.57 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1mqb h ASP 866 CO 0.04 0.64 -0.20 0.40 -1.72 0.00 0.00 179.24 178.40 1mqb h ILE 867 N 0.39 0.58 -0.47 0.35 2.04 -0.85 0.42 117.51 119.97 1mqb h ILE 867 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.06 1mqb h ILE 867 Cb 0.33 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 1mqb h ILE 867 CO 0.00 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.60 1mqb h VAL 868 N -0.50 0.50 -0.86 1.67 2.07 -1.26 -1.37 116.25 116.48 1mqb h VAL 868 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1mqb h VAL 868 Cb 0.41 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1mqb h VAL 868 CO 0.03 0.00 0.45 -1.28 0.02 0.00 0.00 177.57 176.79 1mqb h SER 869 N -0.02 1.10 -0.01 0.57 0.87 -1.15 -0.51 113.55 114.40 1mqb h SER 869 Ca 0.23 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1mqb h SER 869 Cb 0.37 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1mqb h SER 869 CO -0.50 0.90 -0.29 0.40 -0.53 0.00 0.00 176.83 176.81 1mqb h ILE 870 N 1.22 1.27 0.00 2.23 2.04 -0.28 -1.36 117.51 122.64 1mqb h ILE 870 Ca 0.30 -1.34 -0.18 0.00 1.00 0.00 0.00 64.86 64.64 1mqb h ILE 870 Cb 0.07 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1mqb h ILE 870 CO -0.04 0.42 -0.84 -0.07 0.00 0.00 0.00 178.15 177.62 1mqb h LEU 871 N 0.40 0.09 -0.45 1.44 4.07 -0.79 -2.55 115.31 117.52 1mqb h LEU 871 Ca 0.05 -0.07 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 1mqb h LEU 871 Cb 0.72 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1mqb h LEU 871 CO 0.05 0.88 -0.41 0.44 -1.08 0.00 0.00 178.44 178.32 1mqb h ASP 872 N 0.04 0.90 -0.18 -0.43 3.32 -0.87 -0.42 116.42 118.78 1mqb h ASP 872 Ca -0.02 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1mqb h ASP 872 Cb 1.46 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1mqb h ASP 872 CO 0.12 1.19 0.08 0.50 -1.72 0.00 0.00 179.24 179.41 1mqb h LYS 873 N 0.68 0.18 -0.77 3.56 3.64 -1.15 0.35 116.57 123.05 1mqb h LYS 873 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1mqb h LYS 873 Cb 0.99 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 1mqb h LYS 873 CO 0.09 0.12 0.44 -0.07 -2.27 0.00 0.00 179.45 177.77 1mqb h LEU 874 N 0.18 0.95 -0.38 5.20 4.07 -1.31 -0.46 115.31 123.55 1mqb h LEU 874 Ca 0.07 -0.08 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1mqb h LEU 874 Cb 0.02 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 1mqb h LEU 874 CO -0.05 0.76 -0.42 0.40 -1.08 0.00 0.00 178.44 178.04 1mqb h ILE 875 N 1.06 1.27 -0.11 1.22 2.04 -0.87 -3.02 117.51 119.10 1mqb h ILE 875 Ca 0.27 -1.60 -0.12 0.00 1.00 0.00 0.00 64.86 64.42 1mqb h ILE 875 Cb 0.00 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1mqb h ILE 875 CO -0.05 0.53 -0.45 -0.09 0.00 0.00 0.00 178.15 178.10 1mqb h ARG 876 N 0.74 0.25 -2.55 2.37 1.12 -0.60 -3.30 114.38 112.42 1mqb h ARG 876 Ca 0.05 -0.13 -0.63 0.00 -1.11 0.00 0.00 59.98 58.16 1mqb h ARG 876 Cb 1.02 0.00 -0.41 0.00 -0.01 0.00 0.00 29.97 30.57 1mqb h ARG 876 CO 0.10 0.66 -0.46 0.00 -3.11 0.00 0.00 179.97 177.15 1mqb n ALA 877 N -2.47 3.96 0.29 2.80 0.00 -0.21 -4.97 120.51 119.91 1mqb n ALA 877 Ca -0.02 -4.71 0.19 0.00 0.00 0.00 0.00 53.44 48.91 1mqb n ALA 877 Cb 0.51 -1.08 1.02 0.00 0.00 0.00 0.00 19.45 19.90 1mqb n ALA 877 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mqb h PRO 878 N 4.69 0.00 0.00 0.00 0.11 -1.61 -0.75 132.00 134.44 1mqb h PRO 878 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1mqb h PRO 878 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1mqb h PRO 878 CO 0.84 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.19 1mqb h ASP 879 N 0.00 0.00 -0.76 -2.05 3.32 -1.93 -0.82 116.42 114.17 1mqb h ASP 879 Ca 0.00 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.26 1mqb h ASP 879 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1mqb h ASP 879 CO 0.00 0.00 0.54 0.77 -1.72 0.00 0.00 179.24 178.83 1mqb h SER 880 N 0.00 0.10 0.01 6.45 4.64 -1.43 -2.61 113.55 120.71 1mqb h SER 880 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1mqb h SER 880 Cb 0.55 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1mqb h SER 880 CO 0.00 0.04 -0.01 0.18 -0.87 0.00 0.00 176.83 176.18 1mqb n LEU 881 N -4.36 0.94 0.13 5.97 4.77 -0.31 -3.91 117.00 120.23 1mqb n LEU 881 Ca 0.15 -0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 55.82 1mqb n LEU 881 Cb 0.76 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.99 1mqb n LEU 881 CO 0.36 0.16 0.47 0.11 -1.33 0.00 0.00 177.39 177.16 1mqb h LYS 882 N 1.47 0.00 -5.76 3.23 1.57 -1.60 -3.42 116.57 112.07 1mqb h LYS 882 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1mqb h LYS 882 Cb 0.32 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 1mqb h LYS 882 CO 0.00 0.63 -0.09 0.99 -0.57 0.00 0.00 179.45 180.41 1mqb s THR 883 N -3.42 5.16 0.24 -0.16 2.01 -1.25 -5.03 115.64 113.18 1mqb s THR 883 Ca -0.00 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.04 1mqb s THR 883 Cb 0.12 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1mqb s THR 883 CO 0.76 0.30 0.41 -0.76 -0.69 0.00 0.00 174.62 174.63 1mqb s LEU 884 N 0.77 4.21 0.65 4.42 1.02 -1.26 -0.89 118.68 127.60 1mqb s LEU 884 Ca 0.28 0.32 -0.14 0.00 0.02 0.00 0.00 54.13 54.61 1mqb s LEU 884 Cb -0.16 -3.11 -0.01 0.00 0.02 0.00 0.00 46.19 42.94 1mqb s LEU 884 CO 0.11 -0.10 1.07 0.00 0.02 0.00 0.00 176.35 177.46 1mqb s ALA 885 N -1.98 2.64 0.21 4.21 0.00 -0.32 -4.29 121.76 122.22 1mqb s ALA 885 Ca 0.37 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1mqb s ALA 885 Cb -0.10 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1mqb s ALA 885 CO 0.30 -1.10 0.04 -0.51 0.00 0.00 0.00 175.76 174.50 1mqb s ASP 886 N -3.14 4.91 0.00 0.00 -0.00 -1.26 -4.82 116.67 112.36 1mqb s ASP 886 Ca 0.62 -0.41 0.00 0.00 -0.00 0.00 0.00 52.55 52.76 1mqb s ASP 886 Cb -0.16 -1.08 0.00 0.00 -0.00 0.00 0.00 42.92 41.68 1mqb s ASP 886 CO 0.45 0.05 0.00 0.33 -0.00 0.00 0.00 175.17 176.00