#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qob n HIS 610 N 0.00 0.00 -0.13 1.45 -0.00 -1.26 -0.92 115.22 114.35 2qob n HIS 610 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2qob n HIS 610 Cb 0.00 -0.19 0.06 0.00 -0.00 0.00 0.00 29.99 29.86 2qob n HIS 610 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2qob h GLU 611 N 0.00 0.89 0.00 -0.41 4.81 -2.03 -3.35 114.58 114.49 2qob h GLU 611 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2qob h GLU 611 Cb 0.13 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2qob h GLU 611 CO 0.00 0.98 0.00 1.19 -0.73 0.00 0.00 179.01 180.45 2qob n PHE 612 N -4.13 0.00 -3.83 0.92 3.72 -0.79 -5.01 117.46 108.34 2qob n PHE 612 Ca 0.01 -0.43 -0.18 0.00 -0.05 0.00 0.00 57.45 56.80 2qob n PHE 612 Cb 0.41 -0.04 -0.17 0.00 -0.94 0.00 0.00 39.48 38.74 2qob n PHE 612 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qob s ALA 613 N -0.85 0.33 0.15 4.37 0.00 -0.10 -4.31 121.76 121.34 2qob s ALA 613 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 2qob s ALA 613 Cb 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.59 2qob s ALA 613 CO 0.00 -0.23 1.41 0.15 0.00 0.00 0.00 175.76 177.10 2qob s LYS 614 N 1.42 4.31 -0.21 0.00 1.02 -1.26 -4.27 119.74 120.74 2qob s LYS 614 Ca -0.04 2.14 -0.29 0.00 0.02 0.00 0.00 55.97 57.80 2qob s LYS 614 Cb -0.13 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2qob s LYS 614 CO -0.03 -0.44 1.17 -2.00 -0.92 0.00 0.00 175.35 173.14 2qob s GLU 615 N 0.81 4.21 0.20 1.68 2.56 -1.26 -0.74 118.70 126.16 2qob s GLU 615 Ca 0.64 1.48 -0.10 0.00 0.00 0.00 0.00 54.97 57.00 2qob s GLU 615 Cb -0.38 -3.73 -0.07 0.00 2.00 0.00 0.00 34.13 31.95 2qob s GLU 615 CO 0.33 -0.72 0.52 -0.51 -0.56 0.00 0.00 175.26 174.31 2qob s LEU 616 N 3.47 4.21 -0.28 2.70 1.43 0.75 -4.91 118.68 126.04 2qob s LEU 616 Ca 0.50 0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 2qob s LEU 616 Cb -0.18 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2qob s LEU 616 CO 0.12 -0.02 0.91 -0.62 0.23 0.00 0.00 176.35 176.97 2qob s ASP 617 N -2.26 6.85 0.65 2.29 -1.08 -1.26 -4.72 116.67 117.14 2qob s ASP 617 Ca 0.45 0.99 0.40 0.00 -0.52 0.00 0.00 52.55 53.87 2qob s ASP 617 Cb -0.12 -2.47 2.19 0.00 -1.46 0.00 0.00 42.92 41.07 2qob s ASP 617 CO 0.21 -0.65 2.29 0.00 0.52 0.00 0.00 175.17 177.54 2qob h ALA 618 N 7.85 1.18 0.00 3.66 0.00 -1.96 0.02 119.26 130.01 2qob h ALA 618 Ca -0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qob h ALA 618 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qob h ALA 618 CO 0.93 -0.06 -0.01 1.79 0.00 0.00 0.00 179.25 181.90 2qob h THR 619 N 0.00 0.06 -0.01 0.00 1.35 -2.01 -2.00 112.91 110.30 2qob h THR 619 Ca 0.01 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2qob h THR 619 Cb 0.11 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2qob h THR 619 CO -0.00 0.01 -0.08 0.59 -0.25 0.00 0.00 175.52 175.79 2qob n ASN 620 N -3.15 0.90 -4.38 5.36 5.03 -0.01 -4.86 115.26 114.15 2qob n ASN 620 Ca -0.02 -1.04 -0.33 0.00 0.87 0.00 0.00 54.58 54.06 2qob n ASN 620 Cb 0.16 0.01 -0.14 0.00 -1.02 0.00 0.00 39.78 38.79 2qob n ASN 620 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qob s ILE 621 N -2.23 3.17 -0.14 2.41 1.01 -0.75 -0.29 121.20 124.37 2qob s ILE 621 Ca 0.34 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2qob s ILE 621 Cb 0.21 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 2qob s ILE 621 CO 0.42 0.51 -0.16 -0.55 0.00 0.00 0.00 174.94 175.16 2qob s SER 622 N 0.44 3.66 -0.27 3.58 0.15 -0.45 -5.00 113.70 115.80 2qob s SER 622 Ca -0.09 -0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.01 2qob s SER 622 Cb -0.16 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 2qob s SER 622 CO 0.05 0.11 0.15 -0.63 1.20 0.00 0.00 173.24 174.12 2qob s ILE 623 N 0.65 5.01 -0.09 6.45 1.01 -1.26 -1.24 121.20 131.73 2qob s ILE 623 Ca -0.08 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2qob s ILE 623 Cb -0.16 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 2qob s ILE 623 CO 0.02 0.28 0.16 0.47 0.00 0.00 0.00 174.94 175.87 2qob n ASP 624 N 5.01 2.52 -3.64 3.58 8.00 -0.14 -4.98 116.55 126.90 2qob n ASP 624 Ca -0.15 -0.22 -0.07 0.00 0.71 0.00 0.00 54.79 55.07 2qob n ASP 624 Cb 0.52 1.17 -0.07 0.00 -0.02 0.00 0.00 41.12 42.72 2qob n ASP 624 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2qob s LYS 625 N -2.09 0.55 -0.02 -1.24 2.20 -0.92 -5.00 119.74 113.22 2qob s LYS 625 Ca -0.01 0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 56.14 2qob s LYS 625 Cb 0.04 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 2qob s LYS 625 CO 0.23 -0.09 0.89 0.08 -0.36 0.00 0.00 175.35 176.10 2qob s VAL 626 N 1.00 4.91 -0.23 4.02 1.01 -1.26 -0.50 120.40 129.36 2qob s VAL 626 Ca -0.05 1.87 0.09 0.00 0.00 0.00 0.00 61.98 63.90 2qob s VAL 626 Cb -0.04 -4.23 -0.20 0.00 0.00 0.00 0.00 36.38 31.90 2qob s VAL 626 CO -0.12 0.19 -0.08 1.33 0.00 0.00 0.00 175.10 176.42 2qob n VAL 627 N 3.83 1.41 -3.24 2.92 0.24 0.21 -4.91 118.33 118.78 2qob n VAL 627 Ca 0.04 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2qob n VAL 627 Cb 0.51 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 2qob n VAL 627 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qob n GLY 628 N 2.05 -0.87 3.58 7.63 0.00 -0.98 -5.02 105.19 111.58 2qob n GLY 628 Ca -0.39 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2qob n GLY 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qob s ALA 629 N -1.00 3.19 0.29 4.61 0.00 -1.26 -0.40 121.76 127.19 2qob s ALA 629 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2qob s ALA 629 Cb 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.51 2qob s ALA 629 CO 0.00 0.30 0.29 0.41 0.00 0.00 0.00 175.76 176.76 2qob n GLY 630 N 3.19 2.50 0.34 0.00 0.00 0.27 -4.87 105.19 106.62 2qob n GLY 630 Ca -0.17 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 2qob n GLY 630 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qob h GLU 631 N 0.00 1.06 -0.01 1.61 4.81 -1.97 -3.22 114.58 116.85 2qob h GLU 631 Ca -0.16 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2qob h GLU 631 Cb 0.64 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2qob h GLU 631 CO 0.24 0.80 -0.33 1.19 -0.73 0.00 0.00 179.01 180.19 2qob n PHE 632 N -4.33 0.00 -2.78 0.92 3.72 -1.26 -5.06 117.46 108.67 2qob n PHE 632 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2qob n PHE 632 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2qob n PHE 632 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qob n GLY 633 N 1.15 -0.21 3.85 1.37 0.00 -1.22 -0.01 105.19 110.12 2qob n GLY 633 Ca 0.07 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2qob n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qob s GLU 634 N -2.00 3.90 -0.11 1.61 2.02 -1.24 0.94 118.70 123.83 2qob s GLU 634 Ca 0.00 0.88 0.02 0.00 0.02 0.00 0.00 54.97 55.89 2qob s GLU 634 Cb 0.00 -2.16 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 2qob s GLU 634 CO 0.00 -0.26 -0.17 0.08 0.02 0.00 0.00 175.26 174.93 2qob s VAL 635 N -2.63 2.71 0.34 2.63 1.01 0.46 -1.48 120.40 123.45 2qob s VAL 635 Ca 0.58 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2qob s VAL 635 Cb -0.10 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 2qob s VAL 635 CO 0.33 0.54 0.05 0.00 0.00 0.00 0.00 175.10 176.02 2qob s SER 637 N -3.53 2.99 0.00 0.00 1.04 0.35 -0.28 113.70 114.27 2qob s SER 637 Ca 0.36 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2qob s SER 637 Cb 0.09 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2qob s SER 637 CO 0.16 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2qob n GLY 638 N 0.06 1.32 3.27 7.32 0.00 -0.33 -0.96 105.19 115.87 2qob n GLY 638 Ca -0.11 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 2qob n GLY 638 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qob s ARG 639 N 1.79 1.10 -0.07 1.61 0.52 -0.37 -0.91 118.95 122.62 2qob s ARG 639 Ca 0.00 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 2qob s ARG 639 Cb 0.00 -1.20 0.01 0.00 0.52 0.00 0.00 34.95 34.28 2qob s ARG 639 CO 0.00 0.26 -0.14 -1.17 0.02 0.00 0.00 175.30 174.28 2qob s LEU 640 N -2.18 1.70 -0.28 2.53 2.96 -0.05 -1.34 118.68 122.02 2qob s LEU 640 Ca 0.08 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.50 2qob s LEU 640 Cb -0.08 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 2qob s LEU 640 CO 0.04 0.05 0.45 -0.75 -1.32 0.00 0.00 176.35 174.82 2qob s LYS 641 N 0.61 3.97 0.73 1.98 2.20 0.60 -1.19 119.74 128.65 2qob s LYS 641 Ca -0.15 0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 2qob s LYS 641 Cb -0.16 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2qob s LYS 641 CO 0.04 -0.36 1.12 -0.51 -0.36 0.00 0.00 175.35 175.27 2qob s LEU 642 N 2.21 2.80 0.47 5.43 1.43 0.77 -4.82 118.68 126.98 2qob s LEU 642 Ca 0.18 1.06 0.16 0.00 -1.03 0.00 0.00 54.13 54.50 2qob s LEU 642 Cb -0.16 -3.79 1.13 0.00 0.03 0.00 0.00 46.19 43.41 2qob s LEU 642 CO 0.10 -1.49 2.03 -0.65 0.23 0.00 0.00 176.35 176.57 2qob h PRO 643 N -0.76 0.25 0.00 1.29 0.11 -1.98 0.89 132.00 131.80 2qob h PRO 643 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qob h PRO 643 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qob h PRO 643 CO 0.64 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 2qob n SER 644 N -4.47 0.00 0.00 -2.05 3.41 -1.26 -4.88 113.62 104.37 2qob n SER 644 Ca 0.06 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2qob n SER 644 Cb 0.31 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2qob n SER 644 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qob n LYS 645 N -1.25 0.00 -1.92 4.33 4.76 0.31 -5.03 118.16 119.35 2qob n LYS 645 Ca 0.08 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.11 2qob n LYS 645 Cb 0.11 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 2qob n LYS 645 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2qob s LYS 646 N -0.22 4.20 -0.15 1.97 2.20 -1.26 -4.63 119.74 121.85 2qob s LYS 646 Ca 0.00 2.44 -0.03 0.00 -0.36 0.00 0.00 55.97 58.01 2qob s LYS 646 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2qob s LYS 646 CO 0.00 -0.41 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.33 2qob s GLU 647 N -1.89 3.64 0.15 4.03 2.02 -1.26 -0.16 118.70 125.23 2qob s GLU 647 Ca 0.52 -0.53 0.08 0.00 0.02 0.00 0.00 54.97 55.06 2qob s GLU 647 Cb -0.44 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 2qob s GLU 647 CO 0.58 0.23 -0.18 0.96 0.02 0.00 0.00 175.26 176.87 2qob s ILE 648 N 0.39 1.75 0.27 -1.63 -4.36 -0.34 -4.96 121.20 112.32 2qob s ILE 648 Ca -0.04 -1.86 -0.29 0.00 -0.26 0.00 0.00 60.65 58.20 2qob s ILE 648 Cb -0.14 -1.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.70 2qob s ILE 648 CO 0.03 -0.30 1.00 -0.44 0.24 0.00 0.00 174.94 175.47 2qob s SER 649 N -2.56 7.44 0.04 4.36 0.01 -1.26 -0.87 113.70 120.86 2qob s SER 649 Ca 0.14 2.04 -0.01 0.00 1.31 0.00 0.00 55.95 59.43 2qob s SER 649 Cb -0.06 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2qob s SER 649 CO 0.06 0.00 -0.02 0.68 0.41 0.00 0.00 173.24 174.37 2qob s VAL 650 N -1.25 0.19 -0.01 3.43 -7.23 -0.09 -4.74 120.40 110.70 2qob s VAL 650 Ca 0.44 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 2qob s VAL 650 Cb -0.27 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 2qob s VAL 650 CO 0.34 -0.85 0.34 0.00 -0.31 0.00 0.00 175.10 174.61 2qob s ALA 651 N -3.24 3.76 -0.16 1.32 0.00 0.17 -1.19 121.76 122.42 2qob s ALA 651 Ca 0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 2qob s ALA 651 Cb 0.03 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.94 2qob s ALA 651 CO -0.08 0.54 -0.06 0.42 0.00 0.00 0.00 175.76 176.59 2qob s ILE 652 N -1.14 1.09 -0.17 0.00 1.01 0.61 -1.10 121.20 121.51 2qob s ILE 652 Ca 0.24 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2qob s ILE 652 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2qob s ILE 652 CO 0.12 0.17 0.05 -0.54 0.00 0.00 0.00 174.94 174.75 2qob s LYS 653 N 1.65 3.82 0.12 2.79 1.02 -0.09 0.49 119.74 129.53 2qob s LYS 653 Ca 0.02 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 55.73 2qob s LYS 653 Cb -0.15 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2qob s LYS 653 CO -0.08 0.35 -0.14 0.95 -0.92 0.00 0.00 175.35 175.51 2qob s THR 654 N 0.15 3.11 -0.07 2.17 -4.23 -0.55 -0.74 115.64 115.48 2qob s THR 654 Ca 0.04 -1.42 -0.23 0.00 -1.18 0.00 0.00 61.69 58.90 2qob s THR 654 Cb -0.12 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 2qob s THR 654 CO 0.01 0.08 0.67 -0.22 -0.54 0.00 0.00 174.62 174.62 2qob s LEU 655 N -2.25 4.32 0.70 4.79 2.96 -0.27 -3.58 118.68 125.34 2qob s LEU 655 Ca 0.20 1.14 -0.16 0.00 -0.22 0.00 0.00 54.13 55.09 2qob s LEU 655 Cb -0.11 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.57 2qob s LEU 655 CO 0.12 -0.09 1.24 -1.59 -1.32 0.00 0.00 176.35 174.71 2qob s LYS 656 N 0.74 2.30 0.30 1.98 -2.85 0.99 -4.49 119.74 118.71 2qob s LYS 656 Ca 0.36 1.88 -0.29 0.00 -1.00 0.00 0.00 55.97 56.92 2qob s LYS 656 Cb -0.17 -1.84 -0.10 0.00 -2.06 0.00 0.00 37.83 33.66 2qob s LYS 656 CO 0.17 -1.74 1.34 0.08 0.10 0.00 0.00 175.35 175.30 2qob s VAL 657 N -1.75 2.73 0.00 1.79 1.01 -1.26 -2.82 120.40 120.10 2qob s VAL 657 Ca 0.78 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2qob s VAL 657 Cb -0.32 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2qob s VAL 657 CO 0.43 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2qob n GLY 658 N 1.25 0.45 3.69 4.51 0.00 -1.26 -5.03 105.19 108.79 2qob n GLY 658 Ca 0.02 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 2qob n GLY 658 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2qob n TYR 659 N -2.98 1.50 -2.31 1.61 0.18 -1.13 -5.03 117.16 109.01 2qob n TYR 659 Ca 0.00 0.42 -0.28 0.00 1.88 0.00 0.00 57.90 59.92 2qob n TYR 659 Cb 0.05 -2.21 0.02 0.00 -0.38 0.00 0.00 39.34 36.81 2qob n TYR 659 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2qob s THR 660 N -1.46 4.12 0.28 -3.48 -4.23 -1.26 -4.94 115.64 104.67 2qob s THR 660 Ca 0.80 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 2qob s THR 660 Cb -0.39 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.09 2qob s THR 660 CO 0.43 -0.69 1.94 -0.08 -0.54 0.00 0.00 174.62 175.67 2qob h GLU 661 N -0.16 1.13 -0.45 3.99 4.57 -1.99 -1.39 114.58 120.28 2qob h GLU 661 Ca -0.46 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2qob h GLU 661 Cb 1.23 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 2qob h GLU 661 CO 0.62 0.75 0.24 -0.22 -1.18 0.00 0.00 179.01 179.22 2qob h LYS 662 N 1.17 0.63 -0.79 1.92 3.64 -1.99 -0.84 116.57 120.31 2qob h LYS 662 Ca 0.35 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2qob h LYS 662 Cb -0.03 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2qob h LYS 662 CO -0.10 0.51 0.51 1.96 -2.27 0.00 0.00 179.45 180.06 2qob h GLN 663 N 0.59 0.99 -0.49 1.90 4.20 -1.78 -0.41 115.11 120.10 2qob h GLN 663 Ca 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2qob h GLN 663 Cb 0.07 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2qob h GLN 663 CO -0.02 0.65 0.27 -0.09 -0.67 0.00 0.00 178.83 178.97 2qob h ARG 664 N 1.02 0.68 -0.10 1.46 2.43 -1.01 -0.25 114.38 118.62 2qob h ARG 664 Ca 0.30 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2qob h ARG 664 Cb -0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2qob h ARG 664 CO -0.09 0.53 0.04 0.00 -1.51 0.00 0.00 179.97 178.95 2qob h ARG 665 N 0.65 0.14 -0.60 0.20 3.08 -0.64 -1.23 114.38 115.99 2qob h ARG 665 Ca 0.17 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2qob h ARG 665 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2qob h ARG 665 CO -0.03 0.23 0.07 -0.44 -1.07 0.00 0.00 179.97 178.74 2qob h ASP 666 N 0.02 0.97 0.71 7.04 3.32 -1.04 0.30 116.42 127.73 2qob h ASP 666 Ca 0.03 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 2qob h ASP 666 Cb 0.14 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2qob h ASP 666 CO -0.00 0.99 -0.36 0.15 -1.72 0.00 0.00 179.24 178.30 2qob h PHE 667 N 0.90 -0.95 0.00 4.55 3.57 -0.96 -2.84 116.94 121.21 2qob h PHE 667 Ca 0.18 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2qob h PHE 667 Cb 0.45 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2qob h PHE 667 CO 0.03 -0.58 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.09 2qob h LEU 668 N -0.98 0.00 -1.15 0.59 3.38 -1.20 -2.89 115.31 113.06 2qob h LEU 668 Ca -0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2qob h LEU 668 Cb 0.77 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2qob h LEU 668 CO 0.14 0.38 0.58 1.23 0.09 0.00 0.00 178.44 180.86 2qob h GLY 669 N 1.93 1.28 1.01 0.83 0.00 -0.31 -0.27 103.07 107.53 2qob h GLY 669 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2qob h GLY 669 CO 0.05 0.36 0.26 -2.09 0.00 0.00 0.00 176.54 175.12 2qob h GLU 670 N 1.09 0.96 -0.76 4.80 4.81 -1.28 -2.07 114.58 122.12 2qob h GLU 670 Ca 0.36 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2qob h GLU 670 Cb 0.07 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2qob h GLU 670 CO -0.12 0.80 0.38 0.00 -0.73 0.00 0.00 179.01 179.34 2qob h ALA 671 N 1.11 0.98 -0.93 2.92 0.00 -1.37 -0.53 119.26 121.45 2qob h ALA 671 Ca 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qob h ALA 671 Cb 0.20 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2qob h ALA 671 CO -0.02 0.54 0.58 0.77 0.00 0.00 0.00 179.25 181.12 2qob h SER 672 N 1.07 1.10 0.08 0.00 0.02 -0.72 0.95 113.55 116.05 2qob h SER 672 Ca 0.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2qob h SER 672 Cb 0.10 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2qob h SER 672 CO -0.03 0.82 -0.04 0.40 -1.14 0.00 0.00 176.83 176.84 2qob h ILE 673 N 1.27 1.16 -1.01 3.27 2.04 -1.12 -3.24 117.51 119.88 2qob h ILE 673 Ca 0.34 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.31 2qob h ILE 673 Cb -0.09 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 2qob h ILE 673 CO -0.07 0.23 0.64 -0.03 0.00 0.00 0.00 178.15 178.93 2qob h MET 674 N -0.56 1.08 0.00 2.37 4.05 -0.89 -1.05 114.93 119.92 2qob h MET 674 Ca -0.01 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2qob h MET 674 Cb 0.47 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2qob h MET 674 CO 0.02 0.71 0.00 0.78 0.23 0.00 0.00 176.91 178.65 2qob h GLY 675 N 1.11 0.00 2.00 1.39 0.00 -0.84 -2.01 103.07 104.72 2qob h GLY 675 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2qob h GLY 675 CO -0.21 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.27 2qob n GLN 676 N -2.59 0.17 -4.03 4.80 6.02 -0.40 -4.79 117.38 116.56 2qob n GLN 676 Ca -0.01 0.25 -0.34 0.00 -0.01 0.00 0.00 57.00 56.90 2qob n GLN 676 Cb 0.13 -1.75 -0.15 0.00 1.02 0.00 0.00 30.24 29.49 2qob n GLN 676 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qob s PHE 677 N -3.15 2.95 -0.41 1.08 0.08 -0.76 -5.06 117.98 112.72 2qob s PHE 677 Ca 0.09 -1.60 0.03 0.00 0.12 0.00 0.00 56.93 55.57 2qob s PHE 677 Cb 0.12 -1.99 0.11 0.00 -0.57 0.00 0.00 43.02 40.69 2qob s PHE 677 CO 0.48 -0.76 0.15 0.34 -0.10 0.00 0.00 175.22 175.33 2qob s ASP 678 N 1.31 4.70 -0.12 1.36 2.15 -1.26 -4.80 116.67 120.01 2qob s ASP 678 Ca 0.02 -2.43 -0.18 0.00 0.43 0.00 0.00 52.55 50.39 2qob s ASP 678 Cb -0.15 -1.66 0.04 0.00 -0.30 0.00 0.00 42.92 40.85 2qob s ASP 678 CO -0.08 -0.35 0.45 -2.28 -0.17 0.00 0.00 175.17 172.74 2qob s HIS 679 N 0.52 -0.45 0.19 -5.34 2.46 -1.26 -5.05 115.29 106.36 2qob s HIS 679 Ca 0.13 1.00 0.34 0.00 0.47 0.00 0.00 55.06 57.00 2qob s HIS 679 Cb -0.21 0.18 1.71 0.00 -0.13 0.00 0.00 32.58 34.12 2qob s HIS 679 CO -0.05 -0.32 2.04 -1.00 -2.47 0.00 0.00 174.74 172.94 2qob h PRO 680 N 4.77 0.00 -0.22 2.88 0.13 -1.99 -2.57 132.00 135.01 2qob h PRO 680 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2qob h PRO 680 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qob h PRO 680 CO 0.28 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.14 2qob n ASN 681 N -2.80 3.54 -4.21 1.44 3.02 -1.26 -4.88 115.26 110.11 2qob n ASN 681 Ca -0.01 -2.95 -0.30 0.00 -0.03 0.00 0.00 54.58 51.29 2qob n ASN 681 Cb 0.15 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 2qob n ASN 681 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qob s ILE 682 N -2.69 1.84 0.18 2.41 1.01 -0.97 -0.78 121.20 122.21 2qob s ILE 682 Ca 0.39 -0.94 -0.33 0.00 0.00 0.00 0.00 60.65 59.77 2qob s ILE 682 Cb 0.31 -1.57 -0.14 0.00 0.01 0.00 0.00 42.46 41.07 2qob s ILE 682 CO 0.08 0.52 1.42 0.00 0.00 0.00 0.00 174.94 176.96 2qob n ILE 683 N 3.13 0.46 -2.92 2.92 0.13 -0.40 -4.57 119.36 118.11 2qob n ILE 683 Ca -0.18 -0.12 -0.42 0.00 -1.10 0.00 0.00 62.75 60.94 2qob n ILE 683 Cb 0.52 -1.30 -0.04 0.00 -0.84 0.00 0.00 39.64 37.98 2qob n ILE 683 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2qob s ARG 684 N 0.19 4.20 -0.27 9.51 3.52 -1.26 -4.96 118.95 129.88 2qob s ARG 684 Ca 0.75 0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 56.97 2qob s ARG 684 Cb -0.74 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.04 2qob s ARG 684 CO 0.45 -0.46 1.09 -1.17 -0.81 0.00 0.00 175.30 174.41 2qob s LEU 685 N 2.62 4.01 0.08 -0.88 2.96 -1.26 -1.29 118.68 124.93 2qob s LEU 685 Ca 0.35 1.24 0.05 0.00 -0.22 0.00 0.00 54.13 55.55 2qob s LEU 685 Cb -0.16 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.76 2qob s LEU 685 CO 0.09 -0.80 1.13 -0.33 -1.32 0.00 0.00 176.35 175.11 2qob h GLU 686 N 7.94 0.07 0.00 1.98 4.39 -1.08 -3.48 114.58 124.39 2qob h GLU 686 Ca -0.21 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2qob h GLU 686 Cb 1.07 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2qob h GLU 686 CO 1.01 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 180.25 2qob n GLY 687 N 1.44 -1.51 3.20 -3.84 0.00 -1.03 -4.62 105.19 98.83 2qob n GLY 687 Ca -0.05 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 2qob n GLY 687 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qob s VAL 688 N -2.58 0.89 -0.23 1.61 -7.23 0.08 -1.04 120.40 111.91 2qob s VAL 688 Ca 0.00 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2qob s VAL 688 Cb 0.00 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.31 2qob s VAL 688 CO 0.00 -0.78 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.18 2qob s VAL 689 N -3.31 2.11 0.00 1.32 1.01 -0.37 -0.18 120.40 120.97 2qob s VAL 689 Ca 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2qob s VAL 689 Cb 0.03 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2qob s VAL 689 CO -0.02 0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.63 2qob n THR 690 N 4.51 0.00 1.81 3.92 -2.24 -1.26 -1.22 114.28 119.80 2qob n THR 690 Ca -0.17 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.77 2qob n THR 690 Cb 0.45 -0.59 0.89 0.00 -2.10 0.00 0.00 70.33 68.98 2qob n THR 690 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qob n LYS 691 N -1.71 0.82 -4.12 -0.78 5.02 -1.26 -4.72 118.16 111.41 2qob n LYS 691 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2qob n LYS 691 Cb 0.34 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 2qob n LYS 691 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qob s SER 692 N -2.18 0.26 0.09 4.39 1.04 -1.26 -5.18 113.70 110.86 2qob s SER 692 Ca 0.42 -1.16 0.09 0.00 0.48 0.00 0.00 55.95 55.78 2qob s SER 692 Cb 0.21 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2qob s SER 692 CO 0.40 -0.76 -0.24 -0.54 0.98 0.00 0.00 173.24 173.08 2qob s LYS 693 N -4.04 1.38 0.51 4.02 1.02 -1.26 -3.85 119.74 117.52 2qob s LYS 693 Ca 0.23 -1.18 -0.21 0.00 0.02 0.00 0.00 55.97 54.83 2qob s LYS 693 Cb 0.07 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.63 2qob s LYS 693 CO 0.02 0.41 1.17 -1.25 -0.92 0.00 0.00 175.35 174.78 2qob s PRO 694 N -1.72 3.48 0.39 -1.68 0.04 -1.26 -5.13 135.00 129.12 2qob s PRO 694 Ca 0.10 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2qob s PRO 694 Cb -0.10 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2qob s PRO 694 CO 0.04 -0.78 1.25 0.08 0.04 0.00 0.00 177.00 177.63 2qob s VAL 695 N -1.62 2.84 0.02 -0.36 1.01 -1.25 -4.87 120.40 116.17 2qob s VAL 695 Ca 0.69 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.44 2qob s VAL 695 Cb -0.28 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2qob s VAL 695 CO 0.32 0.11 -0.07 -0.04 0.00 0.00 0.00 175.10 175.42 2qob s MET 696 N -2.18 0.49 -0.12 2.72 -1.94 -0.36 -1.11 119.30 116.80 2qob s MET 696 Ca 0.56 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 54.05 2qob s MET 696 Cb -0.36 -0.37 -0.01 0.00 2.01 0.00 0.00 34.83 36.11 2qob s MET 696 CO 0.46 0.08 -0.18 0.42 -0.01 0.00 0.00 175.02 175.79 2qob s ILE 697 N -0.80 2.61 -0.19 2.53 1.01 0.08 -1.24 121.20 125.20 2qob s ILE 697 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2qob s ILE 697 Cb -0.06 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.36 2qob s ILE 697 CO 0.00 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 2qob s VAL 698 N 0.42 2.27 0.32 2.92 1.01 -0.20 -0.92 120.40 126.21 2qob s VAL 698 Ca -0.13 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2qob s VAL 698 Cb -0.17 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 2qob s VAL 698 CO 0.06 0.51 -0.04 0.42 0.00 0.00 0.00 175.10 176.05 2qob s THR 699 N 1.31 1.72 0.00 3.92 -4.23 -0.26 -0.45 115.64 117.66 2qob s THR 699 Ca 0.05 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2qob s THR 699 Cb -0.13 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2qob s THR 699 CO -0.11 -0.19 0.00 -1.84 -0.54 0.00 0.00 174.62 171.93 2qob n GLU 700 N -0.69 2.91 -3.01 3.99 0.28 -0.41 -0.66 120.64 123.06 2qob n GLU 700 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.00 2qob n GLU 700 Cb 0.64 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.52 2qob n GLU 700 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2qob s MET 702 N 0.00 0.06 0.27 3.44 1.00 -1.26 -4.13 119.30 118.68 2qob s MET 702 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 55.69 55.72 2qob s MET 702 Cb 0.00 0.02 0.57 0.00 0.00 0.00 0.00 34.83 35.42 2qob s MET 702 CO 0.00 -0.10 1.75 0.93 0.00 0.00 0.00 175.02 177.60 2qob h GLU 703 N 6.49 0.56 -0.33 2.03 5.08 -1.85 -2.30 114.58 124.26 2qob h GLU 703 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qob h GLU 703 Cb 1.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qob h GLU 703 CO -0.13 0.37 0.00 0.09 -1.00 0.00 0.00 179.01 178.34 2qob n ASN 704 N -4.91 2.35 0.00 1.42 3.02 -0.39 -4.95 115.26 111.81 2qob n ASN 704 Ca 0.18 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 2qob n ASN 704 Cb 0.48 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2qob n ASN 704 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qob n GLY 705 N 1.25 0.18 3.77 7.41 0.00 -0.87 -4.52 105.19 112.41 2qob n GLY 705 Ca 0.17 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 2qob n GLY 705 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qob s SER 706 N -4.00 6.89 0.21 1.61 1.04 -1.26 -0.99 113.70 117.20 2qob s SER 706 Ca 0.00 2.30 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 2qob s SER 706 Cb 0.00 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.66 2qob s SER 706 CO 0.00 -0.42 1.72 0.25 0.98 0.00 0.00 173.24 175.78 2qob h LEU 707 N 3.16 1.02 -0.21 2.42 5.85 -0.78 -1.18 115.31 125.59 2qob h LEU 707 Ca -0.48 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.00 2qob h LEU 707 Cb 1.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2qob h LEU 707 CO 0.64 1.00 0.06 -2.24 -0.34 0.00 0.00 178.44 177.56 2qob h ASP 708 N 1.02 0.30 -0.20 1.25 2.03 -1.83 -0.09 116.42 118.90 2qob h ASP 708 Ca 0.21 -0.21 -0.11 0.00 -0.73 0.00 0.00 57.03 56.18 2qob h ASP 708 Cb 0.40 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.80 2qob h ASP 708 CO 0.01 0.44 -0.26 0.77 -1.03 0.00 0.00 179.24 179.16 2qob h SER 709 N 0.15 0.69 0.09 4.15 4.64 -1.87 -1.87 113.55 119.54 2qob h SER 709 Ca 0.07 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2qob h SER 709 Cb 0.25 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2qob h SER 709 CO -0.00 0.93 -0.05 0.15 -0.87 0.00 0.00 176.83 176.99 2qob h PHE 710 N 0.59 -0.12 -0.21 4.77 3.57 -1.06 -2.94 116.94 121.54 2qob h PHE 710 Ca 0.08 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2qob h PHE 710 Cb 0.75 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2qob h PHE 710 CO 0.03 -0.05 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.84 2qob h LEU 711 N -0.15 0.34 -1.92 0.59 3.38 -0.82 -2.13 115.31 114.60 2qob h LEU 711 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qob h LEU 711 Cb 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qob h LEU 711 CO 0.02 0.52 -0.07 0.03 0.09 0.00 0.00 178.44 179.04 2qob h ARG 712 N 0.33 0.00 0.00 1.13 3.08 -1.22 -0.73 114.38 116.96 2qob h ARG 712 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qob h ARG 712 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2qob h ARG 712 CO 0.03 0.07 0.00 1.63 -1.07 0.00 0.00 179.97 180.63 2qob n LYS 713 N -4.36 0.05 -2.62 0.04 5.02 -0.80 -4.05 118.16 111.43 2qob n LYS 713 Ca -0.03 0.16 -0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2qob n LYS 713 Cb 0.15 -1.57 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2qob n LYS 713 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qob n HIS 714 N -1.67 1.67 -1.67 2.13 8.25 -0.29 -5.09 115.22 118.55 2qob n HIS 714 Ca 0.05 -2.24 -0.49 0.00 -0.26 0.00 0.00 57.72 54.78 2qob n HIS 714 Cb 0.28 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 2qob n HIS 714 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2qob n ASP 715 N -0.58 3.08 -1.86 0.41 2.03 -1.16 -1.46 116.55 117.01 2qob n ASP 715 Ca 0.17 1.03 -0.19 0.00 0.52 0.00 0.00 54.79 56.31 2qob n ASP 715 Cb 0.84 -1.34 -0.04 0.00 -0.72 0.00 0.00 41.12 39.85 2qob n ASP 715 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qob n ALA 716 N 5.26 -0.44 0.82 -1.67 0.00 -1.26 -4.89 120.51 118.34 2qob n ALA 716 Ca 0.21 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.96 2qob n ALA 716 Cb 0.26 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 2qob n ALA 716 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qob n GLN 717 N -2.66 1.24 -4.14 0.00 6.02 -0.54 -4.97 117.38 112.33 2qob n GLN 717 Ca -0.21 -0.05 -0.24 0.00 -0.01 0.00 0.00 57.00 56.49 2qob n GLN 717 Cb 0.65 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.53 2qob n GLN 717 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qob s PHE 718 N -2.62 3.03 0.60 1.08 0.08 -1.26 -5.12 117.98 113.77 2qob s PHE 718 Ca 0.07 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 2qob s PHE 718 Cb 0.13 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2qob s PHE 718 CO 0.70 0.53 1.02 0.95 -0.10 0.00 0.00 175.22 178.32 2qob s THR 719 N -1.96 4.68 0.30 0.64 -4.23 -1.26 -4.92 115.64 108.88 2qob s THR 719 Ca 0.31 0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 61.73 2qob s THR 719 Cb -0.09 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.18 2qob s THR 719 CO 0.23 -1.07 1.94 0.58 -0.54 0.00 0.00 174.62 175.76 2qob h VAL 720 N -0.10 1.15 -0.70 2.29 2.07 -1.99 -1.86 116.25 117.12 2qob h VAL 720 Ca -0.45 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2qob h VAL 720 Cb 1.19 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2qob h VAL 720 CO 0.62 0.20 0.25 0.40 0.02 0.00 0.00 177.57 179.06 2qob h ILE 721 N 1.10 1.24 -0.15 4.57 1.08 -1.97 0.47 117.51 123.86 2qob h ILE 721 Ca 0.34 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2qob h ILE 721 Cb 0.01 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2qob h ILE 721 CO -0.10 0.32 0.09 1.56 -0.69 0.00 0.00 178.15 179.32 2qob h GLN 722 N 1.02 0.20 -0.83 2.37 4.20 -1.74 -0.59 115.11 119.74 2qob h GLN 722 Ca 0.23 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2qob h GLN 722 Cb 0.23 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2qob h GLN 722 CO -0.02 0.19 0.51 -0.07 -0.67 0.00 0.00 178.83 178.77 2qob h LEU 723 N 0.16 0.98 -0.87 1.46 3.38 -0.99 -2.13 115.31 117.29 2qob h LEU 723 Ca 0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2qob h LEU 723 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2qob h LEU 723 CO -0.01 0.75 0.10 0.58 0.09 0.00 0.00 178.44 179.95 2qob h VAL 724 N 1.13 1.25 -0.58 1.22 2.07 -0.68 -1.54 116.25 119.12 2qob h VAL 724 Ca 0.30 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.95 2qob h VAL 724 Cb -0.07 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2qob h VAL 724 CO -0.06 0.35 0.25 1.23 0.02 0.00 0.00 177.57 179.36 2qob h GLY 725 N 1.02 0.82 0.99 2.17 0.00 -0.61 0.14 103.07 107.59 2qob h GLY 725 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2qob h GLY 725 CO 0.01 0.03 0.18 -0.33 0.00 0.00 0.00 176.54 176.43 2qob h MET 726 N 0.45 0.39 -0.62 4.80 2.07 -0.94 -2.25 114.93 118.84 2qob h MET 726 Ca 0.28 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 57.82 2qob h MET 726 Cb 0.30 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.91 2qob h MET 726 CO -0.25 0.28 0.12 -0.07 1.07 0.00 0.00 176.91 178.06 2qob h LEU 727 N 0.38 0.94 -0.72 1.22 3.38 -0.80 -2.13 115.31 117.59 2qob h LEU 727 Ca 0.11 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2qob h LEU 727 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2qob h LEU 727 CO -0.02 0.93 0.30 -0.09 0.09 0.00 0.00 178.44 179.65 2qob h ARG 728 N 0.94 1.06 -0.27 1.13 1.12 -0.57 -1.06 114.38 116.74 2qob h ARG 728 Ca 0.19 -0.18 0.01 0.00 -1.11 0.00 0.00 59.98 58.89 2qob h ARG 728 Cb 0.38 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 2qob h ARG 728 CO 0.01 0.86 0.17 0.78 -3.11 0.00 0.00 179.97 178.68 2qob h GLY 729 N 1.02 0.37 1.00 2.80 0.00 -0.98 -0.77 103.07 106.51 2qob h GLY 729 Ca 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2qob h GLY 729 CO -0.02 0.12 0.34 -2.22 0.00 0.00 0.00 176.54 174.76 2qob h ILE 730 N 0.34 1.16 -0.72 2.60 2.04 -1.19 -0.92 117.51 120.81 2qob h ILE 730 Ca 0.10 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2qob h ILE 730 Cb -0.02 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2qob h ILE 730 CO -0.03 0.16 0.33 0.00 0.00 0.00 0.00 178.15 178.61 2qob h ALA 731 N 1.17 1.22 -0.39 1.87 0.00 -0.93 -1.05 119.26 121.15 2qob h ALA 731 Ca 0.20 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2qob h ALA 731 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2qob h ALA 731 CO -0.04 0.59 -0.18 1.03 0.00 0.00 0.00 179.25 180.65 2qob h SER 732 N 1.03 0.83 -0.59 0.00 0.87 -0.56 0.91 113.55 116.04 2qob h SER 732 Ca 0.25 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2qob h SER 732 Cb 0.13 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 2qob h SER 732 CO -0.03 1.05 0.27 1.23 -0.53 0.00 0.00 176.83 178.81 2qob h GLY 733 N 0.61 0.92 1.37 5.77 0.00 -0.88 -2.28 103.07 108.59 2qob h GLY 733 Ca 0.09 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2qob h GLY 733 CO 0.05 0.45 0.02 -0.33 0.00 0.00 0.00 176.54 176.73 2qob h MET 734 N 0.80 0.77 -0.68 4.80 2.86 -1.04 -0.54 114.93 121.91 2qob h MET 734 Ca 0.20 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2qob h MET 734 Cb 0.15 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 2qob h MET 734 CO -0.02 0.76 0.42 -0.22 1.06 0.00 0.00 176.91 178.91 2qob h LYS 735 N 0.73 0.78 -0.26 1.72 3.11 -0.47 -0.59 116.57 121.58 2qob h LYS 735 Ca 0.15 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.83 2qob h LYS 735 Cb 0.41 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2qob h LYS 735 CO 0.01 0.51 -0.26 -0.92 -2.81 0.00 0.00 179.45 175.99 2qob h TYR 736 N 0.80 0.75 -0.62 1.91 3.20 -0.97 -0.28 116.97 121.76 2qob h TYR 736 Ca 0.28 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2qob h TYR 736 Cb 0.06 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2qob h TYR 736 CO -0.05 0.94 0.39 1.25 -1.64 0.00 0.00 178.16 179.05 2qob h LEU 737 N 0.34 0.66 -0.55 2.82 6.46 -0.88 -0.47 115.31 123.69 2qob h LEU 737 Ca 0.04 -0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.65 2qob h LEU 737 Cb 0.82 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2qob h LEU 737 CO 0.06 0.47 -0.36 0.77 -0.62 0.00 0.00 178.44 178.76 2qob h SER 738 N 0.79 0.82 -0.63 1.25 4.64 -1.08 -2.24 113.55 117.09 2qob h SER 738 Ca 0.24 -0.36 0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2qob h SER 738 Cb -0.03 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.79 2qob h SER 738 CO -0.08 1.09 0.43 0.44 -0.87 0.00 0.00 176.83 177.84 2qob h ASP 739 N 0.64 0.34 0.04 4.97 5.19 -0.32 -1.83 116.42 125.46 2qob h ASP 739 Ca 0.06 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2qob h ASP 739 Cb 0.91 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.36 2qob h ASP 739 CO 0.08 0.20 -0.02 0.23 -3.12 0.00 0.00 179.24 176.61 2qob n MET 740 N -4.46 1.30 -0.63 3.56 2.81 -0.25 -4.92 117.12 114.52 2qob n MET 740 Ca 0.11 -0.53 0.00 0.00 -1.81 0.00 0.00 57.70 55.47 2qob n MET 740 Cb 0.43 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2qob n MET 740 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qob n GLY 741 N 1.13 0.65 3.79 3.03 0.00 -0.69 -5.00 105.19 108.11 2qob n GLY 741 Ca 0.20 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2qob n GLY 741 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qob s TYR 742 N -2.00 3.55 -0.20 1.61 5.04 -0.89 -1.00 117.35 123.46 2qob s TYR 742 Ca 0.00 0.62 -0.05 0.00 -2.44 0.00 0.00 57.07 55.20 2qob s TYR 742 Cb 0.00 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 40.09 2qob s TYR 742 CO 0.00 0.47 0.01 0.08 -1.34 0.00 0.00 175.55 174.77 2qob s VAL 743 N -0.27 4.09 -0.05 3.14 1.01 -0.62 -3.99 120.40 123.70 2qob s VAL 743 Ca 0.16 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 2qob s VAL 743 Cb -0.13 -2.85 -0.22 0.00 0.00 0.00 0.00 36.38 33.18 2qob s VAL 743 CO 0.05 0.43 1.07 -0.74 0.00 0.00 0.00 175.10 175.91 2qob h HIS 744 N 7.39 0.17 0.00 5.22 2.76 -1.91 -1.92 115.15 126.86 2qob h HIS 744 Ca -0.36 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2qob h HIS 744 Cb 1.18 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2qob h HIS 744 CO 0.59 0.82 0.00 0.54 -1.30 0.00 0.00 177.93 178.58 2qob n ARG 745 N -4.61 0.00 -2.82 5.26 1.74 -1.26 -3.04 116.66 111.93 2qob n ARG 745 Ca -0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2qob n ARG 745 Cb 0.43 -2.47 0.06 0.00 -1.02 0.00 0.00 32.46 29.45 2qob n ARG 745 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qob n ASP 746 N 0.00 1.30 -4.62 0.55 2.03 -1.26 -4.70 116.55 109.85 2qob n ASP 746 Ca 0.00 -2.06 -0.43 0.00 0.52 0.00 0.00 54.79 52.82 2qob n ASP 746 Cb 0.00 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 2qob n ASP 746 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2qob s LEU 747 N -3.81 3.79 0.04 -2.67 2.96 -1.26 -4.79 118.68 112.94 2qob s LEU 747 Ca 0.25 1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 55.11 2qob s LEU 747 Cb 0.34 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.53 2qob s LEU 747 CO -0.05 -1.22 0.49 0.00 -1.32 0.00 0.00 176.35 174.25 2qob s ALA 748 N 4.83 -1.23 0.53 5.97 0.00 -1.26 -4.70 121.76 125.90 2qob s ALA 748 Ca 0.60 0.51 0.19 0.00 0.00 0.00 0.00 51.96 53.26 2qob s ALA 748 Cb -0.17 0.36 1.32 0.00 0.00 0.00 0.00 23.12 24.64 2qob s ALA 748 CO 0.27 -0.48 2.12 0.00 0.00 0.00 0.00 175.76 177.66 2qob h ALA 749 N 2.87 2.08 0.00 0.00 0.00 -1.92 0.15 119.26 122.44 2qob h ALA 749 Ca -0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qob h ALA 749 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qob h ALA 749 CO 0.42 -0.14 -0.01 0.07 0.00 0.00 0.00 179.25 179.58 2qob h ARG 750 N 0.00 0.00 -0.63 0.00 0.11 -1.95 -2.17 114.38 109.74 2qob h ARG 750 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2qob h ARG 750 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 2qob h ARG 750 CO -0.00 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.17 2qob n ASN 751 N -3.14 3.75 -4.63 0.08 3.02 0.50 -4.73 115.26 110.12 2qob n ASN 751 Ca -0.01 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 2qob n ASN 751 Cb 0.20 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 2qob n ASN 751 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qob s ILE 752 N -1.06 4.61 0.12 2.41 -1.09 -0.82 -1.10 121.20 124.26 2qob s ILE 752 Ca 0.44 -0.10 0.05 0.00 -2.23 0.00 0.00 60.65 58.80 2qob s ILE 752 Cb 0.23 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2qob s ILE 752 CO 0.31 0.49 0.08 -0.76 -1.23 0.00 0.00 174.94 173.83 2qob s LEU 753 N 0.15 3.69 -0.04 2.97 1.43 -0.39 -0.61 118.68 125.87 2qob s LEU 753 Ca 0.03 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2qob s LEU 753 Cb -0.13 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2qob s LEU 753 CO 0.01 0.13 -0.07 -0.51 0.23 0.00 0.00 176.35 176.14 2qob s ILE 754 N -1.54 0.67 0.46 -0.59 2.07 -0.16 -0.83 121.20 121.28 2qob s ILE 754 Ca 0.29 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 2qob s ILE 754 Cb -0.11 -0.66 0.09 0.00 0.13 0.00 0.00 42.46 41.91 2qob s ILE 754 CO 0.21 0.25 0.63 -0.46 -1.91 0.00 0.00 174.94 173.66 2qob n ASN 755 N 3.88 0.94 0.29 4.50 0.23 -0.64 -1.26 115.26 123.20 2qob n ASN 755 Ca -0.24 -1.77 0.15 0.00 -0.53 0.00 0.00 54.58 52.19 2qob n ASN 755 Cb 0.51 -0.40 0.90 0.00 -2.08 0.00 0.00 39.78 38.71 2qob n ASN 755 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2qob h SER 756 N -0.32 0.00 -0.65 0.53 4.64 -1.92 -1.41 113.55 114.42 2qob h SER 756 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2qob h SER 756 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2qob h SER 756 CO 0.23 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.78 2qob n ASN 757 N -3.88 4.23 -0.76 4.97 5.03 -1.26 -4.94 115.26 118.66 2qob n ASN 757 Ca -0.03 -2.26 -0.10 0.00 0.87 0.00 0.00 54.58 53.07 2qob n ASN 757 Cb 0.11 -0.53 -0.04 0.00 -1.02 0.00 0.00 39.78 38.30 2qob n ASN 757 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qob n LEU 758 N 1.26 -0.58 -4.69 3.41 4.77 -0.53 -4.99 117.00 115.65 2qob n LEU 758 Ca 0.24 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 56.04 2qob n LEU 758 Cb 0.75 -1.91 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 2qob n LEU 758 CO 0.20 -0.66 0.91 -0.69 -1.33 0.00 0.00 177.39 175.82 2qob s VAL 759 N -2.22 4.31 -0.12 4.08 1.01 -1.26 -4.63 120.40 121.57 2qob s VAL 759 Ca 0.00 1.64 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 2qob s VAL 759 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2qob s VAL 759 CO 0.00 0.03 0.14 0.00 0.00 0.00 0.00 175.10 175.27 2qob s LYS 761 N -1.06 0.06 0.15 0.00 1.02 -0.01 -4.28 119.74 115.62 2qob s LYS 761 Ca 0.15 0.11 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 2qob s LYS 761 Cb -0.12 -0.01 -0.07 0.00 -0.52 0.00 0.00 37.83 37.11 2qob s LYS 761 CO 0.04 -0.04 1.18 0.08 -0.92 0.00 0.00 175.35 175.70 2qob s VAL 762 N 0.22 3.74 0.26 3.17 1.01 0.04 -1.27 120.40 127.59 2qob s VAL 762 Ca -0.02 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.41 2qob s VAL 762 Cb -0.02 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2qob s VAL 762 CO -0.01 0.19 0.14 -0.24 0.00 0.00 0.00 175.10 175.19 2qob n SER 763 N 2.89 0.42 -2.70 3.32 2.88 -0.26 -1.28 113.62 118.89 2qob n SER 763 Ca 0.05 -2.52 -0.04 0.00 -1.33 0.00 0.00 58.87 55.03 2qob n SER 763 Cb 0.45 0.92 0.01 0.00 -0.75 0.00 0.00 64.21 64.84 2qob n SER 763 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2qob n ASP 764 N -1.86 -7.58 -1.67 -3.46 -0.08 -1.26 -4.80 116.55 95.83 2qob n ASP 764 Ca 0.00 0.84 0.05 0.00 -1.51 0.00 0.00 54.79 54.16 2qob n ASP 764 Cb 0.42 -5.08 0.33 0.00 2.34 0.00 0.00 41.12 39.13 2qob n ASP 764 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2qob n PHE 765 N 0.07 1.76 -0.07 -0.67 3.72 -1.26 -4.51 117.46 116.51 2qob n PHE 765 Ca 0.07 -0.64 0.03 0.00 -0.05 0.00 0.00 57.45 56.85 2qob n PHE 765 Cb 0.26 -0.46 0.36 0.00 -0.94 0.00 0.00 39.48 38.69 2qob n PHE 765 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qob h GLY 766 N 4.09 0.73 -1.28 1.37 0.00 -1.92 -2.55 103.07 103.51 2qob h GLY 766 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2qob h GLY 766 CO 0.43 0.28 -0.29 1.04 0.00 0.00 0.00 176.54 178.00 2qob n LEU 767 N -4.44 2.31 -4.77 3.11 4.77 -1.26 -5.01 117.00 111.70 2qob n LEU 767 Ca 0.05 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.79 2qob n LEU 767 Cb 0.07 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2qob n LEU 767 CO 0.36 0.41 0.93 -0.44 -1.33 0.00 0.00 177.39 177.32 2qob s SER 768 N -2.20 6.29 0.02 -1.43 0.01 -0.96 -4.71 113.70 110.71 2qob s SER 768 Ca 0.21 2.58 0.02 0.00 1.31 0.00 0.00 55.95 60.07 2qob s SER 768 Cb 0.18 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2qob s SER 768 CO 0.45 -0.86 -0.07 -0.13 0.41 0.00 0.00 173.24 173.03 2qob s ARG 769 N -2.31 0.54 0.34 12.44 1.81 -0.72 -5.01 118.95 126.03 2qob s ARG 769 Ca 0.58 -0.51 -0.27 0.00 -1.72 0.00 0.00 55.73 53.81 2qob s ARG 769 Cb -0.36 -0.42 -0.09 0.00 -0.45 0.00 0.00 34.95 33.62 2qob s ARG 769 CO 0.46 0.10 1.13 0.08 -0.68 0.00 0.00 175.30 176.39 2qob s VAL 770 N -0.78 3.34 -0.89 3.52 1.01 -1.26 -1.58 120.40 123.76 2qob s VAL 770 Ca -0.03 1.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 2qob s VAL 770 Cb -0.06 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2qob s VAL 770 CO 0.00 0.20 1.53 -0.76 0.00 0.00 0.00 175.10 176.07 2qob s LEU 771 N -2.00 3.33 0.00 3.92 1.43 -0.17 -4.89 118.68 120.31 2qob s LEU 771 Ca 0.51 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2qob s LEU 771 Cb -0.31 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2qob s LEU 771 CO 0.39 -1.90 0.00 0.29 0.23 0.00 0.00 176.35 175.37 2qob n LYS 785 N 9.04 0.00 -2.32 1.70 5.02 -1.26 -5.05 118.16 125.29 2qob n LYS 785 Ca 0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 2qob n LYS 785 Cb 0.50 -0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 2qob n LYS 785 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2qob s ILE 786 N 0.00 3.79 -0.99 -0.18 2.07 -1.26 -4.96 121.20 119.67 2qob s ILE 786 Ca 0.00 1.26 -0.23 0.00 -1.41 0.00 0.00 60.65 60.27 2qob s ILE 786 Cb 0.00 -3.81 0.04 0.00 0.13 0.00 0.00 42.46 38.82 2qob s ILE 786 CO 0.00 0.07 1.50 -2.16 -1.91 0.00 0.00 174.94 172.45 2qob s PRO 787 N 1.37 3.44 0.23 3.50 0.04 -1.26 -4.88 135.00 137.43 2qob s PRO 787 Ca 0.61 -0.96 -0.06 0.00 0.04 0.00 0.00 61.00 60.64 2qob s PRO 787 Cb -0.32 -5.25 0.40 0.00 0.04 0.00 0.00 34.50 29.37 2qob s PRO 787 CO 0.28 -2.35 1.75 0.82 0.04 0.00 0.00 177.00 177.54 2qob h ILE 788 N 6.81 0.74 0.00 0.56 1.08 -1.94 -0.75 117.51 124.02 2qob h ILE 788 Ca 0.16 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 2qob h ILE 788 Cb 1.01 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2qob h ILE 788 CO 1.39 0.09 -0.04 0.03 -0.69 0.00 0.00 178.15 178.94 2qob h ARG 789 N 0.51 0.00 -0.01 2.37 3.08 -1.93 -2.57 114.38 115.83 2qob h ARG 789 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2qob h ARG 789 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2qob h ARG 789 CO -0.34 0.04 -0.41 0.91 -1.07 0.00 0.00 179.97 179.10 2qob n TRP 790 N -3.53 0.00 -3.78 3.04 8.01 -0.32 -4.97 117.44 115.89 2qob n TRP 790 Ca -0.02 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.79 2qob n TRP 790 Cb 0.14 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.38 2qob n TRP 790 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2qob s THR 791 N -2.20 5.38 0.75 -0.99 2.01 -0.97 -3.75 115.64 115.88 2qob s THR 791 Ca 0.16 0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 2qob s THR 791 Cb 0.16 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 69.24 2qob s THR 791 CO 0.49 0.61 1.16 -0.94 -0.69 0.00 0.00 174.62 175.25 2qob s SER 792 N -1.03 4.21 0.28 3.53 1.04 -1.26 -4.79 113.70 115.69 2qob s SER 792 Ca 0.17 2.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.76 2qob s SER 792 Cb -0.13 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 63.83 2qob s SER 792 CO 0.06 -2.24 1.94 -0.65 0.98 0.00 0.00 173.24 173.33 2qob h PRO 793 N -0.60 1.13 -0.05 4.02 0.11 -1.96 -1.51 132.00 133.14 2qob h PRO 793 Ca -0.46 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 2qob h PRO 793 Cb 1.27 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2qob h PRO 793 CO 0.49 0.75 -0.49 1.05 -0.21 0.00 0.00 178.00 179.59 2qob h GLU 794 N 1.17 0.12 -0.30 1.05 9.09 -1.91 0.14 114.58 123.94 2qob h GLU 794 Ca 0.35 -0.07 -0.16 0.00 0.05 0.00 0.00 59.36 59.53 2qob h GLU 794 Cb -0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 2qob h GLU 794 CO -0.10 0.59 -0.45 0.00 0.05 0.00 0.00 179.01 179.10 2qob h ALA 795 N 1.40 0.46 -0.66 1.06 0.00 -1.46 -1.79 119.26 118.28 2qob h ALA 795 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2qob h ALA 795 Cb 0.90 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2qob h ALA 795 CO 0.07 0.61 0.17 0.82 0.00 0.00 0.00 179.25 180.92 2qob h ILE 796 N 0.61 1.26 -0.14 0.00 2.04 -1.10 -0.67 117.51 119.51 2qob h ILE 796 Ca 0.03 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 2qob h ILE 796 Cb 1.06 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2qob h ILE 796 CO 0.10 0.35 -0.09 0.00 0.00 0.00 0.00 178.15 178.52 2qob h ALA 797 N 1.07 0.20 -0.01 1.87 0.00 -0.59 -3.40 119.26 118.39 2qob h ALA 797 Ca 0.21 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2qob h ALA 797 Cb 0.35 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 17.84 2qob h ALA 797 CO 0.00 0.02 -0.64 2.48 0.00 0.00 0.00 179.25 181.11 2qob n TYR 798 N -4.63 -0.03 -3.23 0.00 0.18 -0.68 -5.02 117.16 103.74 2qob n TYR 798 Ca -0.06 -0.59 -0.23 0.00 1.88 0.00 0.00 57.90 58.90 2qob n TYR 798 Cb 0.31 0.23 0.03 0.00 -0.38 0.00 0.00 39.34 39.54 2qob n TYR 798 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qob n ARG 799 N 0.14 -5.15 -2.69 -3.48 1.74 -0.26 -4.91 116.66 102.06 2qob n ARG 799 Ca -0.12 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.34 2qob n ARG 799 Cb 0.90 -5.67 -0.02 0.00 -1.02 0.00 0.00 32.46 26.65 2qob n ARG 799 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2qob s LYS 800 N -5.91 3.75 -0.23 5.56 2.47 -1.14 -4.93 119.74 119.31 2qob s LYS 800 Ca 0.39 -1.65 -0.12 0.00 -1.56 0.00 0.00 55.97 53.02 2qob s LYS 800 Cb -0.18 -5.27 -0.05 0.00 -1.46 0.00 0.00 37.83 30.87 2qob s LYS 800 CO 0.48 -2.07 0.23 -0.06 0.16 0.00 0.00 175.35 174.09 2qob s PHE 801 N 3.87 3.34 0.28 4.03 0.08 -1.26 -3.63 117.98 124.68 2qob s PHE 801 Ca 0.45 0.34 -0.01 0.00 0.12 0.00 0.00 56.93 57.83 2qob s PHE 801 Cb -0.00 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2qob s PHE 801 CO -0.04 0.05 0.31 0.95 -0.10 0.00 0.00 175.22 176.39 2qob s THR 802 N 1.10 0.00 0.51 0.64 -4.23 -1.26 -4.99 115.64 107.42 2qob s THR 802 Ca 0.11 -1.81 0.25 0.00 -1.18 0.00 0.00 61.69 59.06 2qob s THR 802 Cb -0.14 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.51 2qob s THR 802 CO 0.05 0.00 2.15 0.28 -0.54 0.00 0.00 174.62 176.56 2qob h SER 803 N 2.31 0.00 0.43 3.99 0.02 -1.97 -0.94 113.55 117.38 2qob h SER 803 Ca -0.30 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.58 2qob h SER 803 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2qob h SER 803 CO 0.42 0.06 -0.36 0.00 -1.14 0.00 0.00 176.83 175.82 2qob h ALA 804 N 1.94 1.32 -0.05 3.77 0.00 -1.94 -0.65 119.26 123.65 2qob h ALA 804 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2qob h ALA 804 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qob h ALA 804 CO 0.01 0.45 -0.62 0.66 0.00 0.00 0.00 179.25 179.74 2qob h SER 805 N 0.00 0.21 -0.29 0.00 4.64 -1.50 -2.07 113.55 114.54 2qob h SER 805 Ca -0.00 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2qob h SER 805 Cb 0.67 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2qob h SER 805 CO 0.05 0.78 -0.04 0.44 -0.87 0.00 0.00 176.83 177.19 2qob h ASP 806 N 0.13 0.62 -0.61 4.97 3.32 -1.03 -2.10 116.42 121.73 2qob h ASP 806 Ca -0.01 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 2qob h ASP 806 Cb 1.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2qob h ASP 806 CO 0.09 0.72 0.28 0.58 -1.72 0.00 0.00 179.24 179.19 2qob h VAL 807 N 0.61 1.22 -0.17 -1.35 2.07 -0.87 0.12 116.25 117.88 2qob h VAL 807 Ca 0.12 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2qob h VAL 807 Cb 0.44 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2qob h VAL 807 CO 0.02 0.26 -0.35 -0.25 0.02 0.00 0.00 177.57 177.27 2qob h TRP 808 N 0.83 -0.98 -0.87 1.57 2.91 -1.14 -0.40 115.95 117.87 2qob h TRP 808 Ca 0.21 0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.41 2qob h TRP 808 Cb 0.14 0.46 -0.09 0.00 -0.51 0.00 0.00 29.16 29.16 2qob h TRP 808 CO 0.00 -0.42 0.48 0.77 -1.03 0.00 0.00 178.44 178.24 2qob h SER 809 N -0.40 0.62 -0.88 2.65 0.02 -0.96 -0.84 113.55 113.76 2qob h SER 809 Ca 0.10 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2qob h SER 809 Cb 0.57 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 2qob h SER 809 CO -0.39 0.29 0.58 0.22 -1.14 0.00 0.00 176.83 176.39 2qob h TYR 810 N 0.71 1.11 -0.99 3.45 3.20 0.09 -0.33 116.97 124.22 2qob h TYR 810 Ca 0.46 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.45 2qob h TYR 810 Cb 0.59 -0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 2qob h TYR 810 CO -0.07 0.70 0.63 0.78 -1.64 0.00 0.00 178.16 178.56 2qob h GLY 811 N 1.20 1.55 0.99 1.82 0.00 0.35 0.12 103.07 109.10 2qob h GLY 811 Ca 0.32 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2qob h GLY 811 CO -0.07 0.25 0.13 -2.22 0.00 0.00 0.00 176.54 174.62 2qob h ILE 812 N 1.07 1.24 -0.83 2.60 1.08 -0.76 -1.75 117.51 120.17 2qob h ILE 812 Ca 0.46 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2qob h ILE 812 Cb 0.31 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 2qob h ILE 812 CO -0.22 0.31 0.49 0.58 -0.69 0.00 0.00 178.15 178.63 2qob h VAL 813 N 0.73 1.23 -0.71 1.67 2.07 -0.29 0.13 116.25 121.08 2qob h VAL 813 Ca 0.16 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2qob h VAL 813 Cb 0.34 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2qob h VAL 813 CO 0.00 0.25 0.45 0.25 0.02 0.00 0.00 177.57 178.54 2qob h LEU 814 N 1.14 0.76 -0.49 2.57 5.85 -0.52 0.90 115.31 125.52 2qob h LEU 814 Ca 0.30 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 2qob h LEU 814 Cb -0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2qob h LEU 814 CO -0.05 0.53 0.16 -0.25 -0.34 0.00 0.00 178.44 178.48 2qob h TRP 815 N 0.90 0.78 -0.55 1.25 7.01 -0.49 -1.68 115.95 123.16 2qob h TRP 815 Ca 0.28 -0.07 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2qob h TRP 815 Cb -0.01 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 26.78 2qob h TRP 815 CO -0.04 0.67 0.29 0.93 -2.79 0.00 0.00 178.44 177.51 2qob h GLU 816 N 0.65 0.54 -0.10 2.65 5.08 0.06 -0.44 114.58 123.02 2qob h GLU 816 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2qob h GLU 816 Cb 0.26 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qob h GLU 816 CO -0.01 0.36 0.01 0.28 -1.00 0.00 0.00 179.01 178.65 2qob h VAL 817 N 0.56 1.23 0.00 3.13 2.07 -0.70 0.13 116.25 122.67 2qob h VAL 817 Ca 0.24 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2qob h VAL 817 Cb 0.14 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2qob h VAL 817 CO -0.16 0.21 0.00 0.24 0.02 0.00 0.00 177.57 177.88 2qob h MET 818 N -0.08 0.00 -0.62 1.57 2.86 -1.12 -1.11 114.93 116.43 2qob h MET 818 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2qob h MET 818 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2qob h MET 818 CO 0.00 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.40 2qob n SER 819 N -2.91 3.43 -3.95 1.22 7.64 -0.19 -4.71 113.62 114.15 2qob n SER 819 Ca 0.01 -2.07 -0.28 0.00 1.01 0.00 0.00 58.87 57.53 2qob n SER 819 Cb 0.27 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2qob n SER 819 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2qob n TYR 820 N 1.22 -1.94 -0.80 1.43 4.01 -0.42 -2.64 117.16 118.02 2qob n TYR 820 Ca 0.21 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.78 2qob n TYR 820 Cb 0.56 -3.79 0.00 0.00 -0.31 0.00 0.00 39.34 35.81 2qob n TYR 820 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qob n GLY 821 N -1.68 0.54 3.69 2.72 0.00 0.39 -3.07 105.19 107.78 2qob n GLY 821 Ca -0.11 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2qob n GLY 821 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qob n GLU 822 N -2.80 1.33 -2.37 1.61 1.02 -1.08 -4.88 120.64 113.47 2qob n GLU 822 Ca 0.00 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.22 2qob n GLU 822 Cb 0.00 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.00 2qob n GLU 822 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2qob s ARG 823 N -2.84 4.33 0.13 3.49 3.52 -1.26 -4.75 118.95 121.58 2qob s ARG 823 Ca 0.74 1.79 -0.34 0.00 -0.13 0.00 0.00 55.73 57.79 2qob s ARG 823 Cb -0.43 -3.54 -0.14 0.00 -1.56 0.00 0.00 34.95 29.29 2qob s ARG 823 CO 0.48 -0.47 1.60 -2.30 -0.81 0.00 0.00 175.30 173.80 2qob n PRO 824 N 5.12 2.11 -1.36 5.12 -0.02 -1.26 -0.76 135.00 143.95 2qob n PRO 824 Ca 0.11 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 2qob n PRO 824 Cb 0.45 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 2qob n PRO 824 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qob n TYR 825 N 3.74 0.00 -0.11 6.00 4.01 -1.26 -4.81 117.16 124.73 2qob n TYR 825 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 2qob n TYR 825 Cb 0.28 -2.60 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 2qob n TYR 825 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2qob n TRP 826 N -2.40 0.00 -1.26 -0.72 8.01 0.06 -1.60 117.44 119.53 2qob n TRP 826 Ca -0.12 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.01 2qob n TRP 826 Cb 0.53 0.00 0.23 0.00 -2.01 0.00 0.00 31.31 30.05 2qob n TRP 826 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2qob n GLU 827 N 14.00 2.44 -1.63 -0.99 -0.58 -1.26 -4.92 120.64 127.70 2qob n GLU 827 Ca 0.00 -3.07 -0.40 0.00 -0.42 0.00 0.00 57.16 53.26 2qob n GLU 827 Cb 0.00 -1.96 0.02 0.00 -0.57 0.00 0.00 31.44 28.93 2qob n GLU 827 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2qob n MET 828 N -0.85 1.38 -1.99 3.49 2.81 -0.63 -4.92 117.12 116.42 2qob n MET 828 Ca 0.38 0.50 -0.39 0.00 -1.81 0.00 0.00 57.70 56.38 2qob n MET 828 Cb 1.20 -2.15 0.01 0.00 -0.71 0.00 0.00 33.22 31.56 2qob n MET 828 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2qob s SER 829 N -0.81 5.90 0.30 7.83 1.04 -1.26 -4.79 113.70 121.90 2qob s SER 829 Ca 0.66 2.64 0.05 0.00 0.48 0.00 0.00 55.95 59.78 2qob s SER 829 Cb -0.51 -2.63 0.71 0.00 0.10 0.00 0.00 66.02 63.69 2qob s SER 829 CO 0.55 -1.13 1.78 0.78 0.98 0.00 0.00 173.24 176.19 2qob h ASN 830 N 2.11 0.77 -0.89 7.02 2.35 -1.99 0.28 115.58 125.23 2qob h ASN 830 Ca -0.50 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2qob h ASN 830 Cb 1.27 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 2qob h ASN 830 CO 0.60 0.28 0.52 1.56 -1.65 0.00 0.00 177.43 178.74 2qob h GLN 831 N 0.76 1.22 -0.06 0.81 4.20 -2.00 -0.58 115.11 119.46 2qob h GLN 831 Ca 0.57 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.93 2qob h GLN 831 Cb 0.86 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.40 2qob h GLN 831 CO -0.38 0.86 -0.88 -0.44 -0.67 0.00 0.00 178.83 177.33 2qob h ASP 832 N 1.23 0.74 -0.49 1.46 3.32 -1.37 -0.81 116.42 120.51 2qob h ASP 832 Ca 0.32 -0.54 0.05 0.00 0.02 0.00 0.00 57.03 56.88 2qob h ASP 832 Cb -0.03 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 2qob h ASP 832 CO -0.06 1.33 0.24 0.58 -1.72 0.00 0.00 179.24 179.61 2qob h VAL 833 N 0.38 0.94 -0.10 -1.35 2.07 -0.82 0.74 116.25 118.10 2qob h VAL 833 Ca -0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qob h VAL 833 Cb 1.50 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2qob h VAL 833 CO 0.17 0.09 0.03 0.40 0.02 0.00 0.00 177.57 178.27 2qob h ILE 834 N 0.47 1.18 -0.33 4.57 2.04 -1.01 -2.30 117.51 122.13 2qob h ILE 834 Ca 0.22 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2qob h ILE 834 Cb 0.14 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2qob h ILE 834 CO -0.16 0.16 0.04 0.50 0.00 0.00 0.00 178.15 178.69 2qob h LYS 835 N -0.02 0.55 -0.06 2.37 3.64 -1.02 -2.19 116.57 119.85 2qob h LYS 835 Ca 0.03 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2qob h LYS 835 Cb 0.22 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2qob h LYS 835 CO -0.00 0.65 0.02 0.00 -2.27 0.00 0.00 179.45 177.85 2qob h ALA 836 N 0.88 0.08 -0.50 5.00 0.00 -0.87 -1.09 119.26 122.76 2qob h ALA 836 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qob h ALA 836 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2qob h ALA 836 CO 0.01 -0.32 0.32 0.28 0.00 0.00 0.00 179.25 179.54 2qob h VAL 837 N -0.08 1.14 -0.80 0.00 2.07 -1.44 -1.77 116.25 115.36 2qob h VAL 837 Ca 0.02 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2qob h VAL 837 Cb 0.19 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2qob h VAL 837 CO -0.00 0.13 0.53 -0.78 0.02 0.00 0.00 177.57 177.47 2qob h ASP 838 N 0.68 0.88 0.59 0.57 3.58 -1.21 -1.08 116.42 120.43 2qob h ASP 838 Ca 0.18 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2qob h ASP 838 Cb -0.06 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.78 2qob h ASP 838 CO -0.04 0.62 0.00 -0.62 -2.88 0.00 0.00 179.24 176.32 2qob n GLU 839 N -4.44 0.12 0.00 0.28 1.02 -0.43 -4.87 120.64 112.33 2qob n GLU 839 Ca 0.10 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2qob n GLU 839 Cb 0.08 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 2qob n GLU 839 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qob n GLY 840 N -0.12 0.82 3.77 0.62 0.00 -0.41 -4.99 105.19 104.88 2qob n GLY 840 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2qob n GLY 840 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qob s TYR 841 N -2.00 3.15 0.08 1.61 2.02 -0.72 -1.80 117.35 119.68 2qob s TYR 841 Ca 0.00 1.59 0.02 0.00 -0.37 0.00 0.00 57.07 58.31 2qob s TYR 841 Cb 0.00 -3.30 -0.03 0.00 -0.40 0.00 0.00 41.96 38.22 2qob s TYR 841 CO 0.00 -1.07 -0.08 1.03 -1.57 0.00 0.00 175.55 173.86 2qob s ARG 842 N -2.34 0.72 0.36 -0.62 1.81 0.83 -4.15 118.95 115.57 2qob s ARG 842 Ca 0.57 -1.08 -0.28 0.00 -1.72 0.00 0.00 55.73 53.23 2qob s ARG 842 Cb -0.28 -0.32 -0.12 0.00 -0.45 0.00 0.00 34.95 33.79 2qob s ARG 842 CO 0.35 0.03 1.37 1.28 -0.68 0.00 0.00 175.30 177.65 2qob n LEU 843 N 0.67 4.07 -4.87 2.53 4.77 -1.26 -0.59 117.00 122.32 2qob n LEU 843 Ca -0.17 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 56.72 2qob n LEU 843 Cb 0.58 -1.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.18 2qob n LEU 843 CO 0.26 -0.24 0.75 -2.16 -1.33 0.00 0.00 177.39 174.66 2qob s PRO 844 N -1.99 2.66 0.20 3.23 0.04 -1.26 -4.71 135.00 133.16 2qob s PRO 844 Ca 0.55 0.45 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 2qob s PRO 844 Cb -0.53 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 2qob s PRO 844 CO 0.63 -1.18 1.57 -1.25 0.04 0.00 0.00 177.00 176.81 2qob s PRO 845 N -5.35 4.20 0.81 0.56 0.04 -1.26 -4.97 135.00 129.03 2qob s PRO 845 Ca 0.59 2.41 -0.14 0.00 0.04 0.00 0.00 61.00 63.90 2qob s PRO 845 Cb -0.12 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.36 2qob s PRO 845 CO 0.52 -0.59 0.96 -2.30 0.04 0.00 0.00 177.00 175.63 2qob n PRO 846 N 3.44 0.14 -1.69 0.56 -0.02 -1.26 -4.90 135.00 131.27 2qob n PRO 846 Ca 0.12 0.12 -0.45 0.00 -2.02 0.00 0.00 63.50 61.27 2qob n PRO 846 Cb 0.38 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 2qob n PRO 846 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2qob n MET 847 N -2.56 2.30 -2.42 -0.52 1.56 -1.26 -1.84 117.12 112.37 2qob n MET 847 Ca 0.12 0.83 -0.20 0.00 -0.27 0.00 0.00 57.70 58.18 2qob n MET 847 Cb 0.51 -2.59 -0.01 0.00 2.15 0.00 0.00 33.22 33.28 2qob n MET 847 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2qob n ASP 848 N 3.15 -5.62 -4.69 6.12 8.00 -1.26 -4.95 116.55 117.30 2qob n ASP 848 Ca 0.15 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 2qob n ASP 848 Cb 0.31 -4.68 -0.03 0.00 -0.02 0.00 0.00 41.12 36.70 2qob n ASP 848 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qob n PRO 850 N 4.97 1.46 -0.28 0.00 -0.02 -1.26 -1.75 135.00 138.12 2qob n PRO 850 Ca 0.09 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 2qob n PRO 850 Cb 0.48 -2.00 0.21 0.00 -0.02 0.00 0.00 33.50 32.16 2qob n PRO 850 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qob h ALA 851 N 3.00 1.17 -0.95 3.55 0.00 -0.79 -1.62 119.26 123.63 2qob h ALA 851 Ca -0.42 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2qob h ALA 851 Cb 1.33 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 2qob h ALA 851 CO 0.67 -0.15 0.61 0.00 0.00 0.00 0.00 179.25 180.39 2qob h ALA 852 N 1.55 1.49 0.11 0.00 0.00 -1.87 0.19 119.26 120.72 2qob h ALA 852 Ca 0.44 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.05 2qob h ALA 852 Cb 0.64 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.17 2qob h ALA 852 CO -0.38 0.36 -1.20 -0.07 0.00 0.00 0.00 179.25 177.96 2qob h LEU 853 N 1.06 0.64 -0.50 0.00 3.38 -1.69 -1.83 115.31 116.37 2qob h LEU 853 Ca 0.41 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 2qob h LEU 853 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2qob h LEU 853 CO -0.17 1.44 -0.09 0.22 0.09 0.00 0.00 178.44 179.94 2qob h TYR 854 N 0.19 1.06 -0.92 1.13 3.20 -1.07 -1.59 116.97 118.96 2qob h TYR 854 Ca -0.15 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 61.52 2qob h TYR 854 Cb 1.88 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.84 2qob h TYR 854 CO 0.09 1.00 0.61 0.37 -1.64 0.00 0.00 178.16 178.59 2qob h GLN 855 N 0.81 1.19 -0.83 1.82 5.75 -0.98 -1.29 115.11 121.58 2qob h GLN 855 Ca 0.13 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2qob h GLN 855 Cb 0.64 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 2qob h GLN 855 CO 0.04 0.79 0.47 1.25 -2.65 0.00 0.00 178.83 178.73 2qob h LEU 856 N 1.23 1.03 0.09 -2.39 5.85 -0.97 -0.00 115.31 120.14 2qob h LEU 856 Ca 0.34 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2qob h LEU 856 Cb -0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 2qob h LEU 856 CO -0.08 0.82 -0.18 0.24 -0.34 0.00 0.00 178.44 178.90 2qob h MET 857 N 1.15 -0.33 -0.74 1.25 2.86 -0.62 -0.69 114.93 117.82 2qob h MET 857 Ca 0.29 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 58.01 2qob h MET 857 Cb 0.01 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2qob h MET 857 CO -0.05 -0.22 0.48 -0.07 1.06 0.00 0.00 176.91 178.12 2qob h LEU 858 N -0.34 0.73 -0.41 1.22 3.38 -0.82 -0.36 115.31 118.71 2qob h LEU 858 Ca 0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2qob h LEU 858 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2qob h LEU 858 CO -0.11 0.48 -0.02 0.44 0.09 0.00 0.00 178.44 179.32 2qob h ASP 859 N 0.83 0.73 0.26 -0.43 3.32 -0.65 -2.44 116.42 118.04 2qob h ASP 859 Ca 0.31 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2qob h ASP 859 Cb 0.16 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2qob h ASP 859 CO -0.10 0.87 -0.11 0.00 -1.72 0.00 0.00 179.24 178.19 2qob n TRP 861 N -3.81 1.91 -1.79 0.00 8.01 -0.23 -3.61 117.44 117.92 2qob n TRP 861 Ca -0.02 -0.67 -0.41 0.00 -1.31 0.00 0.00 57.50 55.09 2qob n TRP 861 Cb 0.21 -0.48 -0.01 0.00 -2.01 0.00 0.00 31.31 29.02 2qob n TRP 861 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2qob s GLN 862 N -2.61 4.12 0.19 -0.99 -1.52 -1.04 -4.89 119.66 112.92 2qob s GLN 862 Ca 0.50 2.57 -0.13 0.00 -1.95 0.00 0.00 55.36 56.35 2qob s GLN 862 Cb 0.38 -3.01 0.11 0.00 -0.22 0.00 0.00 33.01 30.27 2qob s GLN 862 CO 0.14 -0.59 1.85 -0.22 -0.25 0.00 0.00 175.29 176.22 2qob h LYS 863 N 4.22 0.76 -6.59 2.91 3.64 -1.91 -3.37 116.57 116.23 2qob h LYS 863 Ca -0.48 -0.05 -0.57 0.00 -1.27 0.00 0.00 60.65 58.29 2qob h LYS 863 Cb 1.23 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 2qob h LYS 863 CO 0.74 0.51 0.89 0.34 -2.27 0.00 0.00 179.45 179.65 2qob s ASP 864 N -5.72 6.69 0.52 4.20 -1.08 -1.26 -4.92 116.67 115.11 2qob s ASP 864 Ca -0.13 0.58 0.21 0.00 -0.52 0.00 0.00 52.55 52.70 2qob s ASP 864 Cb 0.13 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.45 2qob s ASP 864 CO 0.75 -1.16 2.13 0.08 0.52 0.00 0.00 175.17 177.50 2qob h ARG 865 N 8.96 0.00 0.00 4.34 0.11 -1.97 -0.59 114.38 125.22 2qob h ARG 865 Ca -0.22 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.85 2qob h ARG 865 Cb 1.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 2qob h ARG 865 CO 1.10 0.07 -0.03 -0.91 0.10 0.00 0.00 179.97 180.30 2qob h ASN 866 N 0.00 0.00 0.28 0.08 -0.26 -1.93 -2.51 115.58 111.24 2qob h ASN 866 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2qob h ASN 866 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2qob h ASN 866 CO 0.01 0.03 -0.18 0.59 -1.06 0.00 0.00 177.43 176.82 2qob n ASN 867 N -3.21 0.81 -4.80 5.81 3.02 -0.23 -4.89 115.26 111.76 2qob n ASN 867 Ca -0.01 -0.78 -0.34 0.00 -0.03 0.00 0.00 54.58 53.41 2qob n ASN 867 Cb 0.20 0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 2qob n ASN 867 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qob s ARG 868 N -2.47 4.16 0.63 3.52 0.52 -0.95 -4.92 118.95 119.45 2qob s ARG 868 Ca 0.27 1.25 -0.17 0.00 -0.52 0.00 0.00 55.73 56.56 2qob s ARG 868 Cb 0.20 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 2qob s ARG 868 CO 0.49 -0.10 1.15 -1.25 0.02 0.00 0.00 175.30 175.61 2qob s PRO 869 N -2.97 2.85 0.63 3.54 0.04 -1.26 -5.04 135.00 132.80 2qob s PRO 869 Ca 0.61 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 2qob s PRO 869 Cb -0.14 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2qob s PRO 869 CO 0.18 -1.24 1.04 0.15 0.04 0.00 0.00 177.00 177.16 2qob s LYS 870 N -3.72 3.45 0.33 4.56 -0.14 -1.26 -4.90 119.74 118.07 2qob s LYS 870 Ca 0.72 0.81 0.03 0.00 -1.36 0.00 0.00 55.97 56.17 2qob s LYS 870 Cb -0.25 -2.06 0.63 0.00 -1.68 0.00 0.00 37.83 34.47 2qob s LYS 870 CO 0.37 -0.69 1.94 0.74 -0.76 0.00 0.00 175.35 176.95 2qob h PHE 871 N -0.37 0.91 -0.93 3.18 0.04 -1.94 0.38 116.94 118.20 2qob h PHE 871 Ca -0.44 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.42 2qob h PHE 871 Cb 1.19 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.98 2qob h PHE 871 CO 0.65 0.49 0.61 1.49 -0.60 0.00 0.00 178.31 180.94 2qob h GLU 872 N 0.90 1.04 -0.29 1.51 4.81 -1.93 -0.93 114.58 119.70 2qob h GLU 872 Ca 0.35 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 2qob h GLU 872 Cb 0.20 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2qob h GLU 872 CO -0.12 0.69 -0.46 1.96 -0.73 0.00 0.00 179.01 180.35 2qob h GLN 873 N 1.07 0.76 -0.23 1.92 4.20 -1.34 -2.08 115.11 119.41 2qob h GLN 873 Ca 0.40 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qob h GLN 873 Cb 0.19 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2qob h GLN 873 CO -0.15 1.06 0.14 0.82 -0.67 0.00 0.00 178.83 180.02 2qob h ILE 874 N 0.61 1.10 -0.47 2.54 2.04 -0.59 0.31 117.51 123.05 2qob h ILE 874 Ca 0.03 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.70 2qob h ILE 874 Cb 1.03 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 2qob h ILE 874 CO 0.10 0.10 0.15 0.58 0.00 0.00 0.00 178.15 179.08 2qob h VAL 875 N 0.28 0.83 -0.73 1.67 2.07 -1.09 -1.16 116.25 118.12 2qob h VAL 875 Ca 0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2qob h VAL 875 Cb 0.04 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2qob h VAL 875 CO -0.01 0.06 0.34 0.28 0.02 0.00 0.00 177.57 178.25 2qob h SER 876 N 0.32 0.97 -0.22 0.57 0.02 -1.00 0.33 113.55 114.54 2qob h SER 876 Ca 0.22 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2qob h SER 876 Cb 0.24 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2qob h SER 876 CO -0.24 0.84 0.14 0.40 -1.14 0.00 0.00 176.83 176.83 2qob h ILE 877 N 1.03 1.04 -0.61 3.27 2.04 -0.57 -1.46 117.51 122.24 2qob h ILE 877 Ca 0.25 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 2qob h ILE 877 Cb 0.14 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2qob h ILE 877 CO -0.03 0.05 0.01 -0.07 0.00 0.00 0.00 178.15 178.11 2qob h LEU 878 N 0.28 1.05 -1.09 1.44 3.38 -0.95 -2.34 115.31 117.09 2qob h LEU 878 Ca 0.08 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2qob h LEU 878 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2qob h LEU 878 CO -0.03 1.09 0.57 0.44 0.09 0.00 0.00 178.44 180.61 2qob h ASP 879 N 0.98 1.04 -0.87 -0.43 3.32 -0.77 -0.65 116.42 119.04 2qob h ASP 879 Ca 0.18 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2qob h ASP 879 Cb 0.55 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2qob h ASP 879 CO 0.03 0.77 0.43 0.11 -1.72 0.00 0.00 179.24 178.86 2qob h LYS 880 N 1.22 1.24 -0.39 3.56 1.57 -0.98 0.16 116.57 122.95 2qob h LYS 880 Ca 0.32 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 2qob h LYS 880 Cb -0.11 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.96 2qob h LYS 880 CO -0.07 0.94 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.46 2qob h LEU 881 N 1.23 0.78 -0.56 2.94 3.38 -0.82 0.27 115.31 122.53 2qob h LEU 881 Ca 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2qob h LEU 881 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2qob h LEU 881 CO -0.04 0.99 0.11 0.40 0.09 0.00 0.00 178.44 179.98 2qob h ILE 882 N 0.67 1.25 -0.06 1.22 2.04 -0.88 -2.41 117.51 119.34 2qob h ILE 882 Ca 0.09 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 2qob h ILE 882 Cb 0.74 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2qob h ILE 882 CO 0.06 0.34 -0.36 -0.09 0.00 0.00 0.00 178.15 178.10 2qob h ARG 883 N 0.81 0.11 -2.10 2.37 2.43 -0.71 -3.34 114.38 113.96 2qob h ARG 883 Ca 0.17 -0.05 -0.58 0.00 -0.81 0.00 0.00 59.98 58.72 2qob h ARG 883 Cb 0.39 -0.01 -0.41 0.00 -0.42 0.00 0.00 29.97 29.53 2qob h ARG 883 CO 0.01 0.47 -0.84 -1.71 -1.51 0.00 0.00 179.97 176.38 2qob n ASN 884 N -4.09 2.07 0.28 -3.80 5.15 0.06 -4.97 115.26 109.97 2qob n ASN 884 Ca -0.02 -3.09 0.12 0.00 -0.60 0.00 0.00 54.58 50.99 2qob n ASN 884 Cb 0.42 -0.65 0.80 0.00 -0.53 0.00 0.00 39.78 39.81 2qob n ASN 884 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qob h PRO 885 N 4.07 0.00 -0.29 1.20 0.13 -1.56 -1.43 132.00 134.12 2qob h PRO 885 Ca 0.14 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.35 2qob h PRO 885 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2qob h PRO 885 CO 0.66 0.02 0.25 0.78 -0.23 0.00 0.00 178.00 179.49 2qob h GLY 886 N 0.12 0.00 1.52 1.56 0.00 -1.93 -0.45 103.07 103.88 2qob h GLY 886 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2qob h GLY 886 CO 0.00 0.00 0.21 1.48 0.00 0.00 0.00 176.54 178.23 2qob h SER 887 N 0.00 0.16 0.63 0.19 4.64 -1.58 -2.19 113.55 115.40 2qob h SER 887 Ca 0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2qob h SER 887 Cb 0.64 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2qob h SER 887 CO -0.00 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 2qob n LEU 888 N -4.48 0.24 0.22 5.97 4.77 -0.18 -3.00 117.00 120.55 2qob n LEU 888 Ca 0.03 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 2qob n LEU 888 Cb 0.25 -0.52 0.47 0.00 -2.33 0.00 0.00 43.42 41.29 2qob n LEU 888 CO 0.35 -0.33 0.91 0.11 -1.33 0.00 0.00 177.39 177.09 2qob h LYS 889 N 0.00 0.00 -6.54 3.23 1.57 -1.52 -3.41 116.57 109.89 2qob h LYS 889 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2qob h LYS 889 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2qob h LYS 889 CO 0.00 0.00 1.02 0.42 -0.57 0.00 0.00 179.45 180.32 2qob s ILE 890 N -3.41 4.01 0.16 1.86 1.01 -1.16 -5.01 121.20 118.65 2qob s ILE 890 Ca 0.04 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.70 2qob s ILE 890 Cb 0.08 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2qob s ILE 890 CO 0.57 -0.77 0.38 -0.63 0.00 0.00 0.00 174.94 174.49 2qob s ILE 891 N 5.05 5.17 0.00 2.92 -1.09 -1.26 -0.17 121.20 131.82 2qob s ILE 891 Ca 0.57 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 2qob s ILE 891 Cb -0.13 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 2qob s ILE 891 CO 0.31 -0.01 0.00 0.41 -1.23 0.00 0.00 174.94 174.41 2qob n THR 892 N -0.09 0.00 0.00 2.92 -1.04 -0.72 -4.49 114.28 110.86 2qob n THR 892 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2qob n THR 892 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2qob n THR 892 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2qob n ARG 897 N 0.00 0.00 0.06 -2.82 0.63 -1.26 -4.95 116.66 108.32 2qob n ARG 897 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2qob n ARG 897 Cb 0.00 0.00 0.47 0.00 0.45 0.00 0.00 32.46 33.38 2qob n ARG 897 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2qob n PRO 898 N -1.45 0.12 -3.85 -0.14 -0.04 -1.26 -4.91 135.00 123.47 2qob n PRO 898 Ca 0.00 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 2qob n PRO 898 Cb 0.00 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.73 2qob n PRO 898 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2qob s SER 899 N -3.72 -0.02 0.07 3.54 1.04 -1.26 -5.07 113.70 108.27 2qob s SER 899 Ca 0.09 -0.67 -0.23 0.00 0.48 0.00 0.00 55.95 55.62 2qob s SER 899 Cb 0.13 0.44 -0.15 0.00 0.10 0.00 0.00 66.02 66.53 2qob s SER 899 CO 0.46 -0.87 1.63 0.78 0.98 0.00 0.00 173.24 176.23 2qob h ASN 900 N 2.52 0.03 -3.86 7.02 2.35 -1.98 -3.42 115.58 118.25 2qob h ASN 900 Ca -0.32 -0.12 -0.48 0.00 -0.55 0.00 0.00 56.30 54.83 2qob h ASN 900 Cb 1.23 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2qob h ASN 900 CO 0.49 0.14 0.19 -0.76 -1.65 0.00 0.00 177.43 175.84 2qob s LEU 901 N -9.95 3.90 -0.11 1.61 1.43 -1.26 -4.29 118.68 110.01 2qob s LEU 901 Ca -0.14 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.32 2qob s LEU 901 Cb 0.05 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 2qob s LEU 901 CO 0.67 -0.35 -0.07 -0.76 0.23 0.00 0.00 176.35 176.06 2qob s LEU 902 N -3.45 3.09 -0.40 1.79 1.43 0.25 -4.80 118.68 116.58 2qob s LEU 902 Ca 0.56 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 2qob s LEU 902 Cb -0.10 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2qob s LEU 902 CO 0.23 0.26 1.14 -0.22 0.23 0.00 0.00 176.35 177.99 2qob s LEU 903 N -0.22 3.76 -0.47 1.79 2.96 -1.26 -0.12 118.68 125.12 2qob s LEU 903 Ca 0.03 0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 54.44 2qob s LEU 903 Cb -0.13 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.04 2qob s LEU 903 CO 0.03 -1.11 0.88 -0.62 -1.32 0.00 0.00 176.35 174.21 2qob s ASP 904 N 2.24 6.44 0.47 3.68 2.15 -0.75 -4.92 116.67 125.97 2qob s ASP 904 Ca 0.48 -0.05 0.25 0.00 0.43 0.00 0.00 52.55 53.66 2qob s ASP 904 Cb -0.10 -2.43 1.09 0.00 -0.30 0.00 0.00 42.92 41.19 2qob s ASP 904 CO 0.25 -1.04 1.90 1.56 -0.17 0.00 0.00 175.17 177.67 2qob h GLN 905 N 9.09 0.00 0.00 4.34 1.08 -1.93 -3.47 115.11 124.22 2qob h GLN 905 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2qob h GLN 905 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2qob h GLN 905 CO 1.02 0.20 0.00 -1.13 -0.95 0.00 0.00 178.83 177.97