#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qof s PHE 596 N 0.00 3.27 -0.15 -1.42 5.36 0.12 -5.04 117.98 120.13 2qof s PHE 596 Ca 0.00 1.54 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2qof s PHE 596 Cb 0.00 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 2qof s PHE 596 CO 0.00 -1.28 -0.18 0.08 -1.46 0.00 0.00 175.22 172.38 2qof s VAL 597 N -1.17 2.42 -0.04 3.12 1.01 -1.26 -4.94 120.40 119.53 2qof s VAL 597 Ca 0.47 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2qof s VAL 597 Cb -0.36 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2qof s VAL 597 CO 0.47 0.53 1.49 -0.62 0.00 0.00 0.00 175.10 176.97 2qof s ASP 598 N 0.86 6.78 0.60 3.32 -1.08 -1.26 -4.99 116.67 120.91 2qof s ASP 598 Ca -0.05 2.12 -0.01 0.00 -0.52 0.00 0.00 52.55 54.08 2qof s ASP 598 Cb -0.15 -2.55 0.05 0.00 -1.46 0.00 0.00 42.92 38.81 2qof s ASP 598 CO -0.02 -0.82 0.86 -2.16 0.52 0.00 0.00 175.17 173.56 2qof s PRO 599 N 3.20 2.40 -0.00 4.34 0.04 -1.26 -5.18 135.00 138.54 2qof s PRO 599 Ca 0.67 -0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.09 2qof s PRO 599 Cb -0.31 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 31.87 2qof s PRO 599 CO 0.26 -0.90 1.00 1.04 0.04 0.00 0.00 177.00 178.43 2qof n GLN 607 N -2.54 1.06 -2.35 4.56 1.13 -1.26 -5.08 117.38 112.91 2qof n GLN 607 Ca 0.08 -0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.62 2qof n GLN 607 Cb 0.60 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.91 2qof n GLN 607 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2qof n THR 608 N -0.40 3.87 0.14 5.09 5.66 -1.26 -4.60 114.28 122.78 2qof n THR 608 Ca 0.01 -3.88 -0.00 0.00 -3.05 0.00 0.00 64.05 57.12 2qof n THR 608 Cb 0.03 -2.45 0.26 0.00 -1.55 0.00 0.00 70.33 66.63 2qof n THR 608 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2qof h VAL 609 N 4.79 1.32 0.00 1.08 3.04 -1.96 -3.00 116.25 121.52 2qof h VAL 609 Ca 0.46 -1.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 2qof h VAL 609 Cb 0.78 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2qof h VAL 609 CO 1.58 0.45 0.00 1.41 -1.01 0.00 0.00 177.57 180.00 2qof n HIS 610 N -4.01 0.31 -0.13 3.17 8.25 -1.26 -1.18 115.22 120.36 2qof n HIS 610 Ca -0.02 0.11 -0.03 0.00 -0.26 0.00 0.00 57.72 57.52 2qof n HIS 610 Cb 0.48 -0.67 0.20 0.00 1.12 0.00 0.00 29.99 31.11 2qof n HIS 610 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2qof h GLU 611 N 0.00 0.83 0.00 -0.41 4.81 -1.89 -3.34 114.58 114.58 2qof h GLU 611 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2qof h GLU 611 Cb 0.45 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2qof h GLU 611 CO 0.00 0.74 0.00 1.19 -0.73 0.00 0.00 179.01 180.21 2qof n PHE 612 N -4.28 0.00 -4.47 0.92 3.72 -1.09 -5.02 117.46 107.23 2qof n PHE 612 Ca 0.04 -0.19 -0.23 0.00 -0.05 0.00 0.00 57.45 57.03 2qof n PHE 612 Cb 0.22 -0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 38.57 2qof n PHE 612 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qof s ALA 613 N -0.37 1.06 0.19 4.37 0.00 -0.33 -4.39 121.76 122.29 2qof s ALA 613 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 2qof s ALA 613 Cb 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 2qof s ALA 613 CO 0.00 0.11 1.31 0.15 0.00 0.00 0.00 175.76 177.33 2qof s LYS 614 N 0.56 4.39 -0.32 0.00 1.02 -1.26 -4.42 119.74 119.70 2qof s LYS 614 Ca -0.11 2.05 -0.29 0.00 0.02 0.00 0.00 55.97 57.64 2qof s LYS 614 Cb -0.14 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2qof s LYS 614 CO 0.02 -0.26 1.07 -2.00 -0.92 0.00 0.00 175.35 173.26 2qof s GLU 615 N -0.01 4.05 0.22 1.68 2.56 -1.26 -0.62 118.70 125.31 2qof s GLU 615 Ca 0.57 1.04 -0.13 0.00 0.00 0.00 0.00 54.97 56.45 2qof s GLU 615 Cb -0.36 -3.74 -0.07 0.00 2.00 0.00 0.00 34.13 31.95 2qof s GLU 615 CO 0.37 -0.91 0.59 -0.51 -0.56 0.00 0.00 175.26 174.25 2qof s LEU 616 N 3.65 4.22 -0.22 2.70 1.43 0.61 -4.93 118.68 126.13 2qof s LEU 616 Ca 0.45 1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 54.36 2qof s LEU 616 Cb -0.12 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 2qof s LEU 616 CO 0.16 -0.03 0.88 -0.62 0.23 0.00 0.00 176.35 176.96 2qof s ASP 617 N -2.07 6.92 0.66 2.29 -1.08 -1.26 -4.69 116.67 117.44 2qof s ASP 617 Ca 0.45 1.15 0.42 0.00 -0.52 0.00 0.00 52.55 54.05 2qof s ASP 617 Cb -0.13 -2.46 2.32 0.00 -1.46 0.00 0.00 42.92 41.19 2qof s ASP 617 CO 0.20 -0.52 2.35 0.00 0.52 0.00 0.00 175.17 177.72 2qof h ALA 618 N 7.54 1.10 0.00 3.66 0.00 -1.96 -0.49 119.26 129.11 2qof h ALA 618 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qof h ALA 618 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2qof h ALA 618 CO 0.89 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 180.38 2qof n THR 619 N -3.21 0.95 1.25 0.00 -2.24 -1.26 -1.91 114.28 107.85 2qof n THR 619 Ca -0.03 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 2qof n THR 619 Cb 0.08 -1.05 0.32 0.00 -2.10 0.00 0.00 70.33 67.58 2qof n THR 619 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qof n ASN 620 N -1.73 1.66 -4.47 3.42 5.03 -0.19 -4.91 115.26 114.07 2qof n ASN 620 Ca 0.03 -1.37 -0.34 0.00 0.87 0.00 0.00 54.58 53.78 2qof n ASN 620 Cb 0.19 0.13 -0.13 0.00 -1.02 0.00 0.00 39.78 38.95 2qof n ASN 620 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qof s ILE 621 N -2.25 3.76 0.06 2.41 1.01 -0.80 -0.64 121.20 124.74 2qof s ILE 621 Ca 0.28 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.60 2qof s ILE 621 Cb 0.20 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2qof s ILE 621 CO 0.43 0.49 -0.19 -0.94 0.00 0.00 0.00 174.94 174.73 2qof s SER 622 N 0.46 2.26 -0.19 3.58 1.04 -0.33 -5.00 113.70 115.52 2qof s SER 622 Ca -0.04 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2qof s SER 622 Cb -0.14 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 2qof s SER 622 CO 0.03 0.09 0.01 -0.63 0.98 0.00 0.00 173.24 173.72 2qof s ILE 623 N -0.93 4.14 -0.04 -1.02 1.01 -1.26 -1.21 121.20 121.89 2qof s ILE 623 Ca 0.05 -0.25 0.13 0.00 0.00 0.00 0.00 60.65 60.57 2qof s ILE 623 Cb -0.09 -2.87 -0.19 0.00 0.01 0.00 0.00 42.46 39.32 2qof s ILE 623 CO 0.02 0.44 0.23 0.47 0.00 0.00 0.00 174.94 176.10 2qof n ASP 624 N 4.05 2.03 -3.64 3.58 8.00 0.18 -4.95 116.55 125.80 2qof n ASP 624 Ca -0.17 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.27 2qof n ASP 624 Cb 0.52 1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 42.97 2qof n ASP 624 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2qof s LYS 625 N -2.77 0.67 -0.24 -1.24 2.20 -1.01 -5.01 119.74 112.34 2qof s LYS 625 Ca -0.05 1.23 -0.14 0.00 -0.36 0.00 0.00 55.97 56.66 2qof s LYS 625 Cb 0.07 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2qof s LYS 625 CO 0.53 -0.15 0.32 0.08 -0.36 0.00 0.00 175.35 175.76 2qof s VAL 626 N 1.85 5.24 -0.06 4.02 1.01 -1.26 -0.75 120.40 130.46 2qof s VAL 626 Ca -0.09 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 2qof s VAL 626 Cb -0.06 -3.65 -0.30 0.00 0.00 0.00 0.00 36.38 32.37 2qof s VAL 626 CO -0.20 0.25 0.66 0.58 0.00 0.00 0.00 175.10 176.40 2qof h VAL 627 N 5.15 1.00 0.00 2.92 2.07 -1.13 -3.48 116.25 122.78 2qof h VAL 627 Ca -0.35 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.68 2qof h VAL 627 Cb 1.17 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2qof h VAL 627 CO 0.67 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.68 2qof n GLY 628 N 1.81 0.22 3.85 2.17 0.00 -0.96 -5.01 105.19 107.27 2qof n GLY 628 Ca -0.24 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 2qof n GLY 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qof s ALA 629 N -1.00 3.51 0.34 4.61 0.00 -1.26 -0.64 121.76 127.32 2qof s ALA 629 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2qof s ALA 629 Cb 0.00 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 2qof s ALA 629 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2qof n GLY 630 N 0.38 3.77 0.31 0.00 0.00 0.36 -4.75 105.19 105.27 2qof n GLY 630 Ca -0.02 -2.32 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 2qof n GLY 630 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qof h GLU 631 N 0.00 1.04 -0.01 1.61 4.81 -1.97 -3.25 114.58 116.81 2qof h GLU 631 Ca -0.28 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2qof h GLU 631 Cb 0.86 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2qof h GLU 631 CO 0.47 0.68 -0.14 1.19 -0.73 0.00 0.00 179.01 180.49 2qof n PHE 632 N -4.55 0.00 0.00 0.92 3.72 -1.26 -5.07 117.46 111.23 2qof n PHE 632 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2qof n PHE 632 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2qof n PHE 632 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qof n GLY 633 N 0.87 -0.55 3.90 1.37 0.00 -1.23 0.05 105.19 109.61 2qof n GLY 633 Ca 0.06 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 2qof n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qof s GLU 634 N -1.71 3.59 -0.06 1.61 2.02 -1.19 0.14 118.70 123.09 2qof s GLU 634 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.30 2qof s GLU 634 Cb 0.00 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.88 2qof s GLU 634 CO 0.00 -0.19 -0.13 0.08 0.02 0.00 0.00 175.26 175.03 2qof s VAL 635 N -2.70 1.21 0.27 2.63 1.01 0.18 -1.58 120.40 121.42 2qof s VAL 635 Ca 0.49 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2qof s VAL 635 Cb -0.10 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2qof s VAL 635 CO 0.43 0.37 0.40 0.00 0.00 0.00 0.00 175.10 176.30 2qof s SER 637 N -2.62 0.29 0.00 0.00 1.04 0.07 -1.00 113.70 111.49 2qof s SER 637 Ca 0.20 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2qof s SER 637 Cb -0.01 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2qof s SER 637 CO 0.15 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2qof n GLY 638 N -0.09 -0.89 3.08 7.32 0.00 -0.45 -0.64 105.19 113.52 2qof n GLY 638 Ca -0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 2qof n GLY 638 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qof s ARG 639 N -0.01 0.73 -0.09 1.61 1.81 -0.35 -1.11 118.95 121.54 2qof s ARG 639 Ca 0.00 -0.62 0.03 0.00 -1.72 0.00 0.00 55.73 53.43 2qof s ARG 639 Cb 0.00 -0.67 0.01 0.00 -0.45 0.00 0.00 34.95 33.84 2qof s ARG 639 CO 0.00 0.16 -0.20 -1.17 -0.68 0.00 0.00 175.30 173.42 2qof s LEU 640 N -0.98 1.92 -0.30 2.53 2.96 0.26 -1.18 118.68 123.89 2qof s LEU 640 Ca -0.01 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.25 2qof s LEU 640 Cb -0.07 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2qof s LEU 640 CO 0.01 0.11 0.52 -0.75 -1.32 0.00 0.00 176.35 174.91 2qof s LYS 641 N 0.51 3.88 0.73 1.98 2.20 0.19 -1.41 119.74 127.83 2qof s LYS 641 Ca -0.16 0.13 -0.12 0.00 -0.36 0.00 0.00 55.97 55.46 2qof s LYS 641 Cb -0.17 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 2qof s LYS 641 CO 0.06 -0.48 1.10 -0.51 -0.36 0.00 0.00 175.35 175.17 2qof s LEU 642 N 2.36 2.83 0.48 5.43 1.43 0.73 -4.82 118.68 127.11 2qof s LEU 642 Ca 0.20 1.12 0.14 0.00 -1.03 0.00 0.00 54.13 54.57 2qof s LEU 642 Cb -0.15 -3.87 1.14 0.00 0.03 0.00 0.00 46.19 43.34 2qof s LEU 642 CO 0.11 -1.47 2.08 -0.65 0.23 0.00 0.00 176.35 176.65 2qof h PRO 643 N -0.74 0.21 0.00 1.29 0.11 -1.98 0.18 132.00 131.06 2qof h PRO 643 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qof h PRO 643 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2qof h PRO 643 CO 0.63 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 2qof n SER 644 N -4.49 0.00 0.00 -2.05 3.41 -1.26 -4.89 113.62 104.34 2qof n SER 644 Ca 0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 2qof n SER 644 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2qof n SER 644 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qof n LYS 645 N -0.93 0.00 -1.76 4.33 4.76 0.05 -5.03 118.16 119.58 2qof n LYS 645 Ca 0.18 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.23 2qof n LYS 645 Cb 0.08 -1.69 0.04 0.00 -1.84 0.00 0.00 35.03 31.63 2qof n LYS 645 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2qof s LYS 646 N -0.12 3.10 -0.11 1.97 2.20 -1.26 -4.68 119.74 120.85 2qof s LYS 646 Ca 0.00 2.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.89 2qof s LYS 646 Cb 0.00 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 34.07 2qof s LYS 646 CO 0.00 -1.23 -0.20 -1.21 -0.36 0.00 0.00 175.35 172.35 2qof s GLU 647 N -2.92 3.14 0.13 4.03 2.02 -1.26 -0.19 118.70 123.65 2qof s GLU 647 Ca 0.72 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.97 2qof s GLU 647 Cb -0.41 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2qof s GLU 647 CO 0.48 0.21 -0.14 0.96 0.02 0.00 0.00 175.26 176.79 2qof s ILE 648 N 0.30 1.41 0.37 -1.63 -4.36 -0.50 -4.97 121.20 111.82 2qof s ILE 648 Ca -0.15 -1.78 -0.25 0.00 -0.26 0.00 0.00 60.65 58.21 2qof s ILE 648 Cb -0.17 -1.61 -0.09 0.00 1.25 0.00 0.00 42.46 41.84 2qof s ILE 648 CO 0.07 -0.42 1.06 -0.44 0.24 0.00 0.00 174.94 175.45 2qof s SER 649 N -2.54 6.86 0.03 4.36 0.01 -1.26 -0.58 113.70 120.59 2qof s SER 649 Ca 0.11 2.09 -0.03 0.00 1.31 0.00 0.00 55.95 59.42 2qof s SER 649 Cb -0.05 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2qof s SER 649 CO 0.03 -0.42 0.04 0.68 0.41 0.00 0.00 173.24 173.98 2qof s VAL 650 N -1.55 0.14 0.08 3.43 -7.23 -0.27 -3.81 120.40 111.20 2qof s VAL 650 Ca 0.55 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 59.40 2qof s VAL 650 Cb -0.24 -0.77 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 2qof s VAL 650 CO 0.30 -0.62 0.57 0.00 -0.31 0.00 0.00 175.10 175.04 2qof s ALA 651 N -2.38 3.59 -0.02 1.32 0.00 0.14 -1.34 121.76 123.07 2qof s ALA 651 Ca -0.07 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2qof s ALA 651 Cb -0.03 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2qof s ALA 651 CO -0.04 0.41 -0.09 0.42 0.00 0.00 0.00 175.76 176.46 2qof s ILE 652 N -1.16 0.78 0.03 0.00 1.01 -0.17 -0.87 121.20 120.81 2qof s ILE 652 Ca 0.30 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.62 2qof s ILE 652 Cb -0.19 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 2qof s ILE 652 CO 0.19 0.24 -0.10 -1.59 0.00 0.00 0.00 174.94 173.68 2qof s LYS 653 N 0.17 0.70 0.15 2.79 -2.85 -0.47 -0.41 119.74 119.83 2qof s LYS 653 Ca -0.03 -0.65 0.09 0.00 -1.00 0.00 0.00 55.97 54.38 2qof s LYS 653 Cb -0.08 -0.63 -0.04 0.00 -2.06 0.00 0.00 37.83 35.02 2qof s LYS 653 CO 0.00 0.15 -0.15 0.95 0.10 0.00 0.00 175.35 176.41 2qof s THR 654 N -0.89 2.97 -0.09 3.79 -4.23 -0.62 -1.07 115.64 115.50 2qof s THR 654 Ca -0.02 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 58.64 2qof s THR 654 Cb -0.07 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2qof s THR 654 CO 0.01 -0.02 0.64 -0.22 -0.54 0.00 0.00 174.62 174.48 2qof s LEU 655 N -2.53 4.30 0.58 4.79 2.96 -0.33 -3.20 118.68 125.26 2qof s LEU 655 Ca 0.22 1.07 -0.19 0.00 -0.22 0.00 0.00 54.13 55.01 2qof s LEU 655 Cb -0.09 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.57 2qof s LEU 655 CO 0.13 -0.09 0.94 2.29 -1.32 0.00 0.00 176.35 178.29 2qof n LYS 656 N 3.81 0.93 -2.05 1.98 2.85 0.11 -4.45 118.16 121.34 2qof n LYS 656 Ca -0.03 0.36 -0.41 0.00 -1.05 0.00 0.00 58.31 57.18 2qof n LYS 656 Cb 0.51 -2.12 -0.02 0.00 -0.65 0.00 0.00 35.03 32.75 2qof n LYS 656 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2qof s VAL 657 N -1.50 2.60 -0.58 0.58 1.01 -1.26 -2.74 120.40 118.51 2qof s VAL 657 Ca 0.74 0.58 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2qof s VAL 657 Cb -0.43 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2qof s VAL 657 CO 0.49 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2qof n GLY 658 N 0.97 0.26 3.72 4.51 0.00 -1.26 -5.01 105.19 108.38 2qof n GLY 658 Ca 0.01 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2qof n GLY 658 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2qof n TYR 659 N -3.76 1.85 -2.36 1.61 4.11 -1.11 -5.04 117.16 112.46 2qof n TYR 659 Ca -0.07 0.42 -0.28 0.00 -0.00 0.00 0.00 57.90 57.96 2qof n TYR 659 Cb 0.49 -2.26 0.01 0.00 -0.00 0.00 0.00 39.34 37.58 2qof n TYR 659 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2qof s THR 660 N -1.40 4.54 0.31 -3.48 -4.23 -1.26 -4.94 115.64 105.18 2qof s THR 660 Ca 0.82 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 2qof s THR 660 Cb -0.38 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 69.91 2qof s THR 660 CO 0.41 -0.84 1.93 -0.08 -0.54 0.00 0.00 174.62 175.49 2qof h GLU 661 N -0.04 0.88 -0.42 3.99 4.57 -1.99 -1.08 114.58 120.49 2qof h GLU 661 Ca -0.46 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 2qof h GLU 661 Cb 1.21 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2qof h GLU 661 CO 0.62 0.66 0.21 -0.22 -1.18 0.00 0.00 179.01 179.10 2qof h LYS 662 N 0.88 0.59 -0.76 1.92 3.64 -1.99 -1.08 116.57 119.78 2qof h LYS 662 Ca 0.22 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2qof h LYS 662 Cb 0.06 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2qof h LYS 662 CO -0.03 0.50 0.49 1.96 -2.27 0.00 0.00 179.45 180.10 2qof h GLN 663 N 0.54 0.94 -0.48 1.90 4.20 -1.77 -0.10 115.11 120.34 2qof h GLN 663 Ca 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2qof h GLN 663 Cb 0.09 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2qof h GLN 663 CO -0.02 0.62 0.25 -0.09 -0.67 0.00 0.00 178.83 178.91 2qof h ARG 664 N 0.96 0.67 -0.25 1.46 2.43 -0.97 0.28 114.38 118.97 2qof h ARG 664 Ca 0.30 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2qof h ARG 664 Cb -0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2qof h ARG 664 CO -0.10 0.55 0.12 0.00 -1.51 0.00 0.00 179.97 179.03 2qof h ARG 665 N 0.63 0.36 -0.52 0.20 3.08 -0.79 -1.00 114.38 116.33 2qof h ARG 665 Ca 0.17 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 2qof h ARG 665 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2qof h ARG 665 CO -0.02 0.36 -0.05 -0.44 -1.07 0.00 0.00 179.97 178.75 2qof h ASP 666 N 0.27 0.95 0.54 7.04 3.32 -0.94 0.30 116.42 127.90 2qof h ASP 666 Ca 0.08 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 2qof h ASP 666 Cb 0.12 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.42 2qof h ASP 666 CO -0.01 1.05 -0.26 0.15 -1.72 0.00 0.00 179.24 178.45 2qof h PHE 667 N 0.83 -0.67 0.00 4.55 3.57 -0.85 -3.02 116.94 121.35 2qof h PHE 667 Ca 0.14 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2qof h PHE 667 Cb 0.59 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2qof h PHE 667 CO 0.04 -0.40 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.45 2qof h LEU 668 N -0.77 0.00 -1.55 0.59 3.38 -1.18 -2.87 115.31 112.91 2qof h LEU 668 Ca -0.07 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.06 2qof h LEU 668 Cb 0.58 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2qof h LEU 668 CO 0.12 0.21 0.54 1.23 0.09 0.00 0.00 178.44 180.63 2qof h GLY 669 N 1.70 0.77 0.95 0.83 0.00 -0.79 -0.35 103.07 106.18 2qof h GLY 669 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.16 2qof h GLY 669 CO 0.03 0.04 0.58 -2.09 0.00 0.00 0.00 176.54 175.10 2qof h GLU 670 N 0.42 1.12 -0.34 4.80 4.81 -1.55 -2.36 114.58 121.48 2qof h GLU 670 Ca 0.41 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 2qof h GLU 670 Cb 0.96 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2qof h GLU 670 CO -0.14 0.74 -0.23 0.00 -0.73 0.00 0.00 179.01 178.66 2qof h ALA 671 N 1.34 0.96 0.00 2.92 0.00 -1.25 0.21 119.26 123.44 2qof h ALA 671 Ca 0.34 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qof h ALA 671 Cb -0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qof h ALA 671 CO -0.09 0.61 -0.16 0.77 0.00 0.00 0.00 179.25 180.38 2qof h SER 672 N 0.59 0.00 0.00 0.00 0.02 -1.00 -0.44 113.55 112.72 2qof h SER 672 Ca 0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2qof h SER 672 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2qof h SER 672 CO 0.05 0.16 -0.42 0.40 -1.14 0.00 0.00 176.83 175.88 2qof h ILE 673 N 0.00 0.42 -0.96 3.27 2.04 -1.15 -3.39 117.51 117.75 2qof h ILE 673 Ca -0.00 -1.41 0.10 0.00 1.00 0.00 0.00 64.86 64.55 2qof h ILE 673 Cb 0.34 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 2qof h ILE 673 CO 0.02 0.14 0.59 -0.03 0.00 0.00 0.00 178.15 178.88 2qof h MET 674 N -1.00 0.94 0.00 2.37 4.05 -0.92 -1.39 114.93 118.98 2qof h MET 674 Ca -0.06 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2qof h MET 674 Cb 0.57 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2qof h MET 674 CO -0.04 0.62 0.00 0.41 0.23 0.00 0.00 176.91 178.13 2qof n GLY 675 N -1.34 -1.01 0.05 1.39 0.00 -0.18 -1.54 105.19 102.56 2qof n GLY 675 Ca 0.17 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.42 2qof n GLY 675 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qof n GLN 676 N -2.08 0.11 -4.50 1.61 6.02 -0.52 -4.82 117.38 113.20 2qof n GLN 676 Ca 0.01 0.13 -0.33 0.00 -0.01 0.00 0.00 57.00 56.80 2qof n GLN 676 Cb 0.13 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 2qof n GLN 676 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qof s PHE 677 N -3.06 2.97 -0.32 1.08 0.08 -0.59 -5.01 117.98 113.12 2qof s PHE 677 Ca 0.11 0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.19 2qof s PHE 677 Cb 0.15 -1.68 0.13 0.00 -0.57 0.00 0.00 43.02 41.04 2qof s PHE 677 CO 0.52 0.38 0.24 0.34 -0.10 0.00 0.00 175.22 176.60 2qof s ASP 678 N -1.09 2.50 -0.16 1.36 2.15 -1.26 -4.82 116.67 115.35 2qof s ASP 678 Ca 0.15 -1.46 -0.22 0.00 0.43 0.00 0.00 52.55 51.45 2qof s ASP 678 Cb -0.11 0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.58 2qof s ASP 678 CO 0.04 -0.36 0.57 -2.28 -0.17 0.00 0.00 175.17 172.97 2qof s HIS 679 N 1.76 -0.58 0.25 -5.34 2.46 -1.26 -5.05 115.29 107.52 2qof s HIS 679 Ca 0.13 1.30 0.36 0.00 0.47 0.00 0.00 55.06 57.32 2qof s HIS 679 Cb -0.17 0.24 1.78 0.00 -0.13 0.00 0.00 32.58 34.30 2qof s HIS 679 CO -0.19 -0.38 2.08 -1.00 -2.47 0.00 0.00 174.74 172.78 2qof h PRO 680 N 4.57 0.00 -0.31 2.88 0.13 -2.00 -2.23 132.00 135.05 2qof h PRO 680 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2qof h PRO 680 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2qof h PRO 680 CO 0.23 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.09 2qof n ASN 681 N -2.86 4.10 -4.11 1.44 3.02 -1.26 -4.88 115.26 110.71 2qof n ASN 681 Ca -0.01 -3.03 -0.28 0.00 -0.03 0.00 0.00 54.58 51.22 2qof n ASN 681 Cb 0.15 -0.57 -0.17 0.00 -0.61 0.00 0.00 39.78 38.58 2qof n ASN 681 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qof s ILE 682 N -2.84 1.57 0.08 2.41 1.01 -0.84 -0.84 121.20 121.74 2qof s ILE 682 Ca 0.44 -0.73 -0.36 0.00 0.00 0.00 0.00 60.65 60.01 2qof s ILE 682 Cb 0.35 -1.39 -0.15 0.00 0.01 0.00 0.00 42.46 41.28 2qof s ILE 682 CO 0.10 0.45 1.51 -0.38 0.00 0.00 0.00 174.94 176.62 2qof n ILE 683 N 3.73 0.07 -2.82 2.92 2.08 -0.57 -4.58 119.36 120.18 2qof n ILE 683 Ca -0.21 -0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.68 2qof n ILE 683 Cb 0.52 -1.23 -0.04 0.00 -0.75 0.00 0.00 39.64 38.13 2qof n ILE 683 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2qof s ARG 684 N 1.16 4.61 -0.31 0.38 3.52 -1.26 -4.93 118.95 122.13 2qof s ARG 684 Ca 0.84 1.30 -0.22 0.00 -0.13 0.00 0.00 55.73 57.52 2qof s ARG 684 Cb -0.83 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.18 2qof s ARG 684 CO 0.45 0.21 0.71 -1.17 -0.81 0.00 0.00 175.30 174.69 2qof s LEU 685 N 0.08 4.12 0.08 -0.88 2.96 -1.26 -1.04 118.68 122.75 2qof s LEU 685 Ca 0.44 0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2qof s LEU 685 Cb -0.22 -2.94 -0.27 0.00 0.50 0.00 0.00 46.19 43.26 2qof s LEU 685 CO 0.27 -0.55 1.16 -0.33 -1.32 0.00 0.00 176.35 175.58 2qof h GLU 686 N 8.17 0.25 0.00 1.98 4.39 -0.97 -3.48 114.58 124.93 2qof h GLU 686 Ca -0.26 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.02 2qof h GLU 686 Cb 1.11 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2qof h GLU 686 CO 0.84 1.19 0.00 0.41 -1.16 0.00 0.00 179.01 180.30 2qof n GLY 687 N 1.49 -1.23 3.24 -3.84 0.00 -0.96 -4.58 105.19 99.31 2qof n GLY 687 Ca -0.08 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 2qof n GLY 687 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qof s VAL 688 N -2.84 1.19 -0.20 1.61 -7.23 0.20 -0.85 120.40 112.29 2qof s VAL 688 Ca 0.00 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2qof s VAL 688 Cb 0.00 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.24 2qof s VAL 688 CO 0.00 -0.65 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.28 2qof s VAL 689 N -2.96 2.18 0.00 1.32 1.01 -0.38 -0.29 120.40 121.28 2qof s VAL 689 Ca 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2qof s VAL 689 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2qof s VAL 689 CO 0.01 0.39 0.00 0.35 0.00 0.00 0.00 175.10 175.85 2qof n THR 690 N 4.59 0.00 1.64 3.92 -2.24 -1.26 -1.17 114.28 119.76 2qof n THR 690 Ca -0.19 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 2qof n THR 690 Cb 0.48 0.10 0.75 0.00 -2.10 0.00 0.00 70.33 69.56 2qof n THR 690 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qof n LYS 691 N -1.31 0.89 -4.06 -0.78 5.02 -1.26 -4.73 118.16 111.93 2qof n LYS 691 Ca 0.00 -0.20 -0.07 0.00 -2.02 0.00 0.00 58.31 56.01 2qof n LYS 691 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 2qof n LYS 691 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qof s SER 692 N -2.25 0.43 -0.01 4.39 1.04 -1.26 -5.17 113.70 110.86 2qof s SER 692 Ca 0.37 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.96 2qof s SER 692 Cb 0.21 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2qof s SER 692 CO 0.42 -0.56 -0.20 -0.54 0.98 0.00 0.00 173.24 173.33 2qof s LYS 693 N -3.54 2.22 0.41 4.02 1.02 -1.26 -3.85 119.74 118.76 2qof s LYS 693 Ca 0.03 -0.87 -0.24 0.00 0.02 0.00 0.00 55.97 54.92 2qof s LYS 693 Cb 0.05 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 2qof s LYS 693 CO -0.09 0.58 1.06 -1.25 -0.92 0.00 0.00 175.35 174.73 2qof s PRO 694 N -0.86 4.10 0.38 -1.68 0.04 -1.26 -5.14 135.00 130.58 2qof s PRO 694 Ca 0.12 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 2qof s PRO 694 Cb -0.10 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 2qof s PRO 694 CO 0.01 -0.20 1.31 0.08 0.04 0.00 0.00 177.00 178.24 2qof s VAL 695 N -1.66 2.64 0.06 -0.36 1.01 -1.25 -4.86 120.40 115.98 2qof s VAL 695 Ca 0.59 0.59 0.04 0.00 0.00 0.00 0.00 61.98 63.20 2qof s VAL 695 Cb -0.23 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2qof s VAL 695 CO 0.28 0.10 -0.12 -0.04 0.00 0.00 0.00 175.10 175.33 2qof s MET 696 N -2.12 0.73 -0.11 2.72 -1.94 -0.32 -1.18 119.30 117.08 2qof s MET 696 Ca 0.55 -0.85 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 2qof s MET 696 Cb -0.39 -0.66 -0.00 0.00 2.01 0.00 0.00 34.83 35.79 2qof s MET 696 CO 0.50 0.14 -0.22 0.42 -0.01 0.00 0.00 175.02 175.86 2qof s ILE 697 N -1.22 2.26 -0.19 2.53 1.01 -0.23 -1.24 121.20 124.11 2qof s ILE 697 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2qof s ILE 697 Cb -0.09 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.51 2qof s ILE 697 CO 0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.64 2qof s VAL 698 N 0.41 2.25 0.35 2.92 1.01 -0.03 -1.37 120.40 125.94 2qof s VAL 698 Ca -0.16 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2qof s VAL 698 Cb -0.17 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2qof s VAL 698 CO 0.07 0.49 0.10 0.42 0.00 0.00 0.00 175.10 176.18 2qof s THR 699 N 1.31 0.82 0.14 3.92 -4.23 -0.05 -0.29 115.64 117.25 2qof s THR 699 Ca 0.04 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.21 2qof s THR 699 Cb -0.14 -2.58 -0.14 0.00 1.34 0.00 0.00 72.50 70.98 2qof s THR 699 CO -0.11 0.00 1.57 1.21 -0.54 0.00 0.00 174.62 176.74 2qof n GLU 700 N -0.74 2.03 -2.55 3.99 2.13 -0.20 -0.68 120.64 124.62 2qof n GLU 700 Ca -0.03 0.73 -0.41 0.00 0.66 0.00 0.00 57.16 58.11 2qof n GLU 700 Cb 0.66 -2.49 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 2qof n GLU 700 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2qof s TYR 701 N 1.05 3.61 -0.32 4.31 5.04 -1.25 -4.24 117.35 125.55 2qof s TYR 701 Ca 0.80 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 57.02 2qof s TYR 701 Cb -0.71 -3.25 0.10 0.00 0.35 0.00 0.00 41.96 38.44 2qof s TYR 701 CO 0.40 -0.55 0.08 -1.64 -1.34 0.00 0.00 175.55 172.50 2qof s MET 702 N 0.04 0.91 0.37 4.97 -1.94 -1.26 -4.94 119.30 117.45 2qof s MET 702 Ca 0.51 -1.27 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 2qof s MET 702 Cb -0.28 -2.30 0.80 0.00 2.01 0.00 0.00 34.83 35.06 2qof s MET 702 CO 0.33 -0.97 1.94 1.49 -0.01 0.00 0.00 175.02 177.80 2qof h GLU 703 N 7.97 0.68 -0.58 2.03 4.81 -1.85 -2.39 114.58 125.24 2qof h GLU 703 Ca -0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2qof h GLU 703 Cb 1.02 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2qof h GLU 703 CO 0.48 0.45 0.00 0.09 -0.73 0.00 0.00 179.01 179.30 2qof n ASN 704 N -4.49 3.33 0.00 1.04 5.03 -0.46 -4.96 115.26 114.75 2qof n ASN 704 Ca 0.12 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.58 2qof n ASN 704 Cb 0.30 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 2qof n ASN 704 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qof n GLY 705 N 1.49 0.37 3.77 7.41 0.00 -0.90 -4.62 105.19 112.71 2qof n GLY 705 Ca 0.21 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2qof n GLY 705 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qof s SER 706 N -4.00 6.99 0.18 1.61 1.04 -1.26 -0.91 113.70 117.35 2qof s SER 706 Ca 0.00 2.21 -0.08 0.00 0.48 0.00 0.00 55.95 58.55 2qof s SER 706 Cb 0.00 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.58 2qof s SER 706 CO 0.00 -0.34 1.60 0.25 0.98 0.00 0.00 173.24 175.73 2qof h LEU 707 N 3.21 0.98 -0.29 2.42 5.85 -0.84 -1.86 115.31 124.79 2qof h LEU 707 Ca -0.48 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 57.90 2qof h LEU 707 Cb 1.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2qof h LEU 707 CO 0.65 1.12 0.14 -2.24 -0.34 0.00 0.00 178.44 177.76 2qof h ASP 708 N 0.86 0.38 -0.18 1.25 2.03 -1.82 -0.94 116.42 118.00 2qof h ASP 708 Ca 0.13 -0.13 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 2qof h ASP 708 Cb 0.71 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 2qof h ASP 708 CO 0.05 0.40 -0.33 0.77 -1.03 0.00 0.00 179.24 179.10 2qof h SER 709 N 0.33 0.72 -0.17 4.15 4.64 -1.89 -1.83 113.55 119.50 2qof h SER 709 Ca 0.10 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2qof h SER 709 Cb 0.12 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2qof h SER 709 CO -0.01 0.99 0.11 0.15 -0.87 0.00 0.00 176.83 177.19 2qof h PHE 710 N 0.58 0.20 -0.36 4.77 3.57 -1.16 -2.71 116.94 121.83 2qof h PHE 710 Ca 0.06 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2qof h PHE 710 Cb 0.85 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2qof h PHE 710 CO 0.04 0.12 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.08 2qof h LEU 711 N 0.22 0.60 -1.79 0.59 3.38 -1.03 -2.37 115.31 114.90 2qof h LEU 711 Ca 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qof h LEU 711 Cb -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2qof h LEU 711 CO -0.02 0.73 -0.12 0.03 0.09 0.00 0.00 178.44 179.15 2qof h ARG 712 N 0.57 0.00 0.00 1.13 3.08 -1.13 -0.90 114.38 117.13 2qof h ARG 712 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qof h ARG 712 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2qof h ARG 712 CO 0.03 0.12 0.00 1.63 -1.07 0.00 0.00 179.97 180.68 2qof n LYS 713 N -4.33 0.18 -2.43 0.04 4.76 -0.90 -3.98 118.16 111.49 2qof n LYS 713 Ca -0.03 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.54 2qof n LYS 713 Cb 0.19 -1.75 0.03 0.00 -1.84 0.00 0.00 35.03 31.67 2qof n LYS 713 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qof n HIS 714 N -2.07 2.02 -1.67 2.13 8.25 -0.36 -5.08 115.22 118.43 2qof n HIS 714 Ca 0.05 -2.20 -0.48 0.00 -0.26 0.00 0.00 57.72 54.83 2qof n HIS 714 Cb 0.33 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 2qof n HIS 714 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2qof n ASP 715 N -0.64 3.26 -1.08 0.41 2.03 -1.10 -1.34 116.55 118.08 2qof n ASP 715 Ca 0.26 1.02 -0.14 0.00 0.52 0.00 0.00 54.79 56.45 2qof n ASP 715 Cb 0.88 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 39.84 2qof n ASP 715 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qof n ALA 716 N 5.26 -0.21 0.91 -1.67 0.00 -1.26 -4.89 120.51 118.64 2qof n ALA 716 Ca 0.20 0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.97 2qof n ALA 716 Cb 0.29 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2qof n ALA 716 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qof n GLN 717 N -2.28 1.41 -4.11 0.00 6.02 -0.45 -4.95 117.38 113.02 2qof n GLN 717 Ca -0.14 -1.00 -0.25 0.00 -0.01 0.00 0.00 57.00 55.60 2qof n GLN 717 Cb 0.50 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 2qof n GLN 717 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qof s PHE 718 N -2.26 3.09 0.62 1.08 0.08 -1.26 -5.12 117.98 114.21 2qof s PHE 718 Ca 0.17 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 2qof s PHE 718 Cb 0.17 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2qof s PHE 718 CO 0.50 0.52 1.03 0.95 -0.10 0.00 0.00 175.22 178.13 2qof s THR 719 N -1.91 4.42 0.33 0.64 -4.23 -1.26 -4.93 115.64 108.71 2qof s THR 719 Ca 0.31 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.71 2qof s THR 719 Cb -0.09 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.34 2qof s THR 719 CO 0.23 -0.93 1.99 0.58 -0.54 0.00 0.00 174.62 175.95 2qof h VAL 720 N -0.13 1.18 -0.53 2.29 2.07 -1.99 -1.82 116.25 117.32 2qof h VAL 720 Ca -0.45 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 2qof h VAL 720 Cb 1.20 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2qof h VAL 720 CO 0.60 0.18 0.02 0.40 0.02 0.00 0.00 177.57 178.78 2qof h ILE 721 N 0.96 1.25 -0.43 4.57 1.08 -1.98 0.01 117.51 122.97 2qof h ILE 721 Ca 0.26 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2qof h ILE 721 Cb -0.10 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2qof h ILE 721 CO -0.06 0.37 0.27 1.56 -0.69 0.00 0.00 178.15 179.60 2qof h GLN 722 N 0.83 0.58 -0.63 2.37 4.20 -1.75 -0.98 115.11 119.73 2qof h GLN 722 Ca 0.16 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2qof h GLN 722 Cb 0.47 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2qof h GLN 722 CO 0.02 0.42 0.25 -0.07 -0.67 0.00 0.00 178.83 178.78 2qof h LEU 723 N 0.57 0.87 -0.99 1.46 3.38 -0.87 -2.20 115.31 117.54 2qof h LEU 723 Ca 0.16 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2qof h LEU 723 Cb -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2qof h LEU 723 CO -0.03 0.81 0.17 0.58 0.09 0.00 0.00 178.44 180.06 2qof h VAL 724 N 0.88 1.23 -0.87 1.22 2.07 -0.80 -1.44 116.25 118.55 2qof h VAL 724 Ca 0.21 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qof h VAL 724 Cb 0.22 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2qof h VAL 724 CO -0.02 0.31 0.52 1.23 0.02 0.00 0.00 177.57 179.63 2qof h GLY 725 N 1.00 1.27 0.88 2.17 0.00 -0.83 0.96 103.07 108.52 2qof h GLY 725 Ca 0.19 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.00 2qof h GLY 725 CO -0.01 0.52 0.06 -0.33 0.00 0.00 0.00 176.54 176.78 2qof h MET 726 N 1.20 0.14 -0.56 4.80 2.07 -0.90 -2.16 114.93 119.51 2qof h MET 726 Ca 0.31 -0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.88 2qof h MET 726 Cb -0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 2qof h MET 726 CO -0.06 0.09 0.13 -0.07 1.07 0.00 0.00 176.91 178.08 2qof h LEU 727 N 0.14 0.81 -0.53 1.22 3.38 -0.90 -2.21 115.31 117.23 2qof h LEU 727 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2qof h LEU 727 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2qof h LEU 727 CO -0.07 0.80 0.06 -0.09 0.09 0.00 0.00 178.44 179.23 2qof h ARG 728 N 0.84 0.90 -0.42 1.13 1.12 -0.65 -1.15 114.38 116.14 2qof h ARG 728 Ca 0.18 -0.26 0.02 0.00 -1.11 0.00 0.00 59.98 58.82 2qof h ARG 728 Cb 0.31 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.14 2qof h ARG 728 CO -0.00 0.89 0.24 0.78 -3.11 0.00 0.00 179.97 178.77 2qof h GLY 729 N 0.78 0.58 0.99 2.80 0.00 -1.09 -0.26 103.07 106.88 2qof h GLY 729 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qof h GLY 729 CO 0.02 0.14 0.28 -2.22 0.00 0.00 0.00 176.54 174.76 2qof h ILE 730 N 0.48 1.10 -0.80 2.60 2.04 -1.23 -1.45 117.51 120.24 2qof h ILE 730 Ca 0.17 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2qof h ILE 730 Cb 0.03 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2qof h ILE 730 CO -0.09 0.10 0.47 0.00 0.00 0.00 0.00 178.15 178.63 2qof h ALA 731 N 1.16 1.31 -0.37 1.87 0.00 -0.90 -1.13 119.26 121.19 2qof h ALA 731 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2qof h ALA 731 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2qof h ALA 731 CO -0.04 0.58 -0.00 1.03 0.00 0.00 0.00 179.25 180.82 2qof h SER 732 N 1.11 0.65 -0.61 0.00 0.87 -0.63 0.12 113.55 115.06 2qof h SER 732 Ca 0.29 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2qof h SER 732 Cb -0.02 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 2qof h SER 732 CO -0.05 0.80 0.39 1.23 -0.53 0.00 0.00 176.83 178.67 2qof h GLY 733 N 0.48 0.87 1.65 5.77 0.00 -0.98 -2.14 103.07 108.72 2qof h GLY 733 Ca 0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 2qof h GLY 733 CO 0.02 0.26 -0.33 -0.33 0.00 0.00 0.00 176.54 176.16 2qof h MET 734 N 0.77 0.40 -0.86 4.80 2.86 -0.91 -1.11 114.93 120.89 2qof h MET 734 Ca 0.24 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2qof h MET 734 Cb -0.01 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 2qof h MET 734 CO -0.09 0.69 0.57 -0.22 1.06 0.00 0.00 176.91 178.92 2qof h LYS 735 N 0.35 1.11 -0.13 1.72 3.11 -0.38 -0.12 116.57 122.23 2qof h LYS 735 Ca 0.04 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 2qof h LYS 735 Cb 0.75 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2qof h LYS 735 CO 0.06 0.73 -0.00 -0.92 -2.81 0.00 0.00 179.45 176.51 2qof h TYR 736 N 1.14 0.26 -0.53 1.91 3.20 -1.00 -0.05 116.97 121.90 2qof h TYR 736 Ca 0.32 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.18 2qof h TYR 736 Cb -0.09 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2qof h TYR 736 CO -0.01 0.47 0.31 -0.07 -1.64 0.00 0.00 178.16 177.21 2qof h LEU 737 N -0.03 0.48 -0.68 2.82 3.38 -1.01 -1.10 115.31 119.16 2qof h LEU 737 Ca 0.04 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2qof h LEU 737 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qof h LEU 737 CO 0.01 0.34 -0.25 0.77 0.09 0.00 0.00 178.44 179.39 2qof h SER 738 N 0.60 0.77 -0.47 -0.43 4.64 -0.97 -1.13 113.55 116.55 2qof h SER 738 Ca 0.22 -0.28 0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2qof h SER 738 Cb 0.06 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 2qof h SER 738 CO -0.11 0.98 0.32 0.44 -0.87 0.00 0.00 176.83 177.59 2qof h ASP 739 N 0.65 0.35 0.61 4.97 5.19 -0.54 -0.55 116.42 127.09 2qof h ASP 739 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2qof h ASP 739 Cb 0.76 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2qof h ASP 739 CO 0.06 0.23 -0.06 0.23 -3.12 0.00 0.00 179.24 176.59 2qof n MET 740 N -4.47 0.37 -1.01 3.56 2.81 -0.46 -4.73 117.12 113.19 2qof n MET 740 Ca 0.06 -0.06 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2qof n MET 740 Cb 0.24 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2qof n MET 740 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qof n GLY 741 N 1.34 0.45 3.63 3.03 0.00 -0.22 0.15 105.19 113.57 2qof n GLY 741 Ca 0.12 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 2qof n GLY 741 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qof s TYR 742 N -2.00 3.30 -0.31 1.61 5.04 -0.51 -4.89 117.35 119.59 2qof s TYR 742 Ca 0.00 0.63 -0.13 0.00 -2.44 0.00 0.00 57.07 55.13 2qof s TYR 742 Cb 0.00 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.61 2qof s TYR 742 CO 0.00 -0.21 0.28 0.08 -1.34 0.00 0.00 175.55 174.36 2qof s VAL 743 N 2.02 5.24 -0.00 3.14 1.01 -1.26 -3.96 120.40 126.60 2qof s VAL 743 Ca 0.21 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 2qof s VAL 743 Cb -0.15 -3.68 -0.18 0.00 0.00 0.00 0.00 36.38 32.36 2qof s VAL 743 CO 0.09 0.09 1.23 -0.74 0.00 0.00 0.00 175.10 175.77 2qof h HIS 744 N 8.38 0.28 0.00 5.22 2.76 -1.96 -3.47 115.15 126.36 2qof h HIS 744 Ca -0.32 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2qof h HIS 744 Cb 1.17 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.07 2qof h HIS 744 CO 0.72 0.75 0.00 0.54 -1.30 0.00 0.00 177.93 178.64 2qof n ARG 745 N -4.60 0.00 -2.61 5.26 1.74 -1.26 -4.73 116.66 110.46 2qof n ARG 745 Ca -0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 2qof n ARG 745 Cb 0.38 -1.80 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 2qof n ARG 745 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qof n ASP 746 N 0.00 2.48 -4.66 0.55 2.03 -1.26 -4.84 116.55 110.86 2qof n ASP 746 Ca 0.00 -2.66 -0.43 0.00 0.52 0.00 0.00 54.79 52.22 2qof n ASP 746 Cb 0.00 -0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.92 2qof n ASP 746 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2qof s LEU 747 N -3.60 4.16 -0.05 -2.67 2.96 -1.26 -4.78 118.68 113.45 2qof s LEU 747 Ca 0.34 1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 55.64 2qof s LEU 747 Cb 0.38 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.61 2qof s LEU 747 CO -0.02 -0.81 0.76 0.00 -1.32 0.00 0.00 176.35 174.97 2qof s ALA 748 N 3.63 -1.80 0.49 5.97 0.00 -1.26 -4.72 121.76 124.07 2qof s ALA 748 Ca 0.56 1.28 0.16 0.00 0.00 0.00 0.00 51.96 53.96 2qof s ALA 748 Cb -0.22 -0.05 1.19 0.00 0.00 0.00 0.00 23.12 24.03 2qof s ALA 748 CO 0.16 -0.42 2.07 0.00 0.00 0.00 0.00 175.76 177.58 2qof h ALA 749 N 2.72 2.06 0.00 0.00 0.00 -1.92 0.60 119.26 122.71 2qof h ALA 749 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qof h ALA 749 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qof h ALA 749 CO 0.36 -0.12 0.00 0.07 0.00 0.00 0.00 179.25 179.56 2qof h ARG 750 N 0.17 0.00 -0.54 0.00 0.11 -1.95 -2.22 114.38 109.94 2qof h ARG 750 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2qof h ARG 750 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2qof h ARG 750 CO -0.02 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.14 2qof n ASN 751 N -3.01 4.36 -4.48 0.08 3.02 0.19 -4.73 115.26 110.70 2qof n ASN 751 Ca -0.01 -2.47 -0.33 0.00 -0.03 0.00 0.00 54.58 51.74 2qof n ASN 751 Cb 0.19 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 2qof n ASN 751 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qof s ILE 752 N -1.87 3.51 0.15 2.41 1.01 -0.84 -1.13 121.20 124.44 2qof s ILE 752 Ca 0.46 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.64 2qof s ILE 752 Cb 0.30 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2qof s ILE 752 CO 0.21 0.54 0.10 -0.76 0.00 0.00 0.00 174.94 175.02 2qof s LEU 753 N -0.05 3.70 -0.05 2.97 1.43 -0.34 -0.65 118.68 125.69 2qof s LEU 753 Ca -0.01 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2qof s LEU 753 Cb -0.14 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.77 2qof s LEU 753 CO 0.03 0.09 -0.08 -0.51 0.23 0.00 0.00 176.35 176.12 2qof s ILE 754 N -1.68 0.75 0.46 -0.59 2.07 -0.09 -0.96 121.20 121.16 2qof s ILE 754 Ca 0.30 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.28 2qof s ILE 754 Cb -0.10 -0.72 0.09 0.00 0.13 0.00 0.00 42.46 41.85 2qof s ILE 754 CO 0.22 0.27 0.63 -0.46 -1.91 0.00 0.00 174.94 173.69 2qof n ASN 755 N 3.85 0.97 0.29 4.50 0.23 -0.57 -1.35 115.26 123.19 2qof n ASN 755 Ca -0.24 -1.79 0.16 0.00 -0.53 0.00 0.00 54.58 52.18 2qof n ASN 755 Cb 0.52 -0.40 0.91 0.00 -2.08 0.00 0.00 39.78 38.73 2qof n ASN 755 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2qof h SER 756 N -0.31 0.00 -0.66 0.53 4.64 -1.92 -1.31 113.55 114.52 2qof h SER 756 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2qof h SER 756 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2qof h SER 756 CO 0.24 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.82 2qof n ASN 757 N -3.61 4.95 -0.57 4.97 5.03 -1.26 -4.94 115.26 119.83 2qof n ASN 757 Ca -0.02 -2.50 -0.07 0.00 0.87 0.00 0.00 54.58 52.85 2qof n ASN 757 Cb 0.14 -0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 38.26 2qof n ASN 757 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qof n LEU 758 N 1.12 -0.35 -4.71 3.41 4.77 -0.49 -5.00 117.00 115.75 2qof n LEU 758 Ca 0.27 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 2qof n LEU 758 Cb 0.94 -1.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.26 2qof n LEU 758 CO 0.26 -0.59 0.78 -0.69 -1.33 0.00 0.00 177.39 175.81 2qof s VAL 759 N -2.08 4.49 -0.12 4.08 1.01 -1.26 -4.66 120.40 121.87 2qof s VAL 759 Ca 0.00 1.79 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 2qof s VAL 759 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2qof s VAL 759 CO 0.00 0.13 0.07 0.00 0.00 0.00 0.00 175.10 175.31 2qof s LYS 761 N -0.69 0.14 0.17 0.00 1.02 -0.14 -4.24 119.74 116.00 2qof s LYS 761 Ca 0.12 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 2qof s LYS 761 Cb -0.12 -0.19 -0.08 0.00 -0.52 0.00 0.00 37.83 36.93 2qof s LYS 761 CO 0.02 -0.00 1.21 0.08 -0.92 0.00 0.00 175.35 175.75 2qof s VAL 762 N 0.19 3.59 0.00 3.17 1.01 -0.02 -1.20 120.40 127.13 2qof s VAL 762 Ca -0.02 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2qof s VAL 762 Cb -0.03 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2qof s VAL 762 CO -0.01 0.19 0.00 -1.54 0.00 0.00 0.00 175.10 173.74 2qof n SER 763 N 2.75 0.83 -2.40 3.32 3.41 -0.29 -1.52 113.62 119.72 2qof n SER 763 Ca 0.05 -0.80 -0.01 0.00 -0.26 0.00 0.00 58.87 57.85 2qof n SER 763 Cb 0.45 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2qof n SER 763 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qof n ASP 764 N -1.75 -5.21 -4.02 4.04 2.03 -1.26 -4.85 116.55 105.53 2qof n ASP 764 Ca 0.00 -0.09 -0.39 0.00 0.52 0.00 0.00 54.79 54.83 2qof n ASP 764 Cb 0.00 -3.42 -0.03 0.00 -0.72 0.00 0.00 41.12 36.96 2qof n ASP 764 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2qof n PHE 765 N -1.58 3.69 0.00 -0.67 3.72 -1.26 -4.94 117.46 116.42 2qof n PHE 765 Ca -0.01 -3.56 0.00 0.00 -0.05 0.00 0.00 57.45 53.84 2qof n PHE 765 Cb 0.51 -1.21 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 2qof n PHE 765 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2qof n PRO 787 N 1.82 0.00 -0.23 -1.08 -0.04 -1.26 -4.36 135.00 129.84 2qof n PRO 787 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2qof n PRO 787 Cb 0.37 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.98 2qof n PRO 787 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2qof h ILE 788 N 0.00 0.68 0.00 0.52 1.08 -1.99 -1.31 117.51 116.49 2qof h ILE 788 Ca 0.00 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 2qof h ILE 788 Cb 0.00 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2qof h ILE 788 CO 0.00 0.07 -0.02 0.03 -0.69 0.00 0.00 178.15 177.54 2qof h ARG 789 N 0.40 0.00 -0.02 2.37 3.08 -1.97 -2.29 114.38 115.95 2qof h ARG 789 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2qof h ARG 789 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2qof h ARG 789 CO -0.38 0.02 -0.28 0.91 -1.07 0.00 0.00 179.97 179.16 2qof n TRP 790 N -3.78 0.00 -3.78 3.04 8.01 -0.53 -4.98 117.44 115.42 2qof n TRP 790 Ca -0.03 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.79 2qof n TRP 790 Cb 0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 2qof n TRP 790 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2qof s THR 791 N -1.96 5.38 0.74 -0.99 2.01 -0.86 -3.78 115.64 116.17 2qof s THR 791 Ca 0.17 0.35 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 2qof s THR 791 Cb 0.15 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 69.22 2qof s THR 791 CO 0.40 0.59 1.15 -0.94 -0.69 0.00 0.00 174.62 175.14 2qof s SER 792 N -1.09 4.36 0.27 3.53 1.04 -1.26 -4.80 113.70 115.75 2qof s SER 792 Ca 0.18 2.13 -0.03 0.00 0.48 0.00 0.00 55.95 58.70 2qof s SER 792 Cb -0.13 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.79 2qof s SER 792 CO 0.07 -2.14 1.91 -0.65 0.98 0.00 0.00 173.24 173.41 2qof h PRO 793 N -0.55 1.20 -0.06 4.02 0.11 -1.96 -1.39 132.00 133.37 2qof h PRO 793 Ca -0.46 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 2qof h PRO 793 Cb 1.26 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2qof h PRO 793 CO 0.50 0.79 -0.56 1.05 -0.21 0.00 0.00 178.00 179.58 2qof h GLU 794 N 1.24 0.19 -0.35 1.05 9.09 -1.91 0.68 114.58 124.56 2qof h GLU 794 Ca 0.40 -0.12 -0.14 0.00 0.05 0.00 0.00 59.36 59.55 2qof h GLU 794 Cb 0.02 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 2qof h GLU 794 CO -0.13 0.70 -0.33 0.00 0.05 0.00 0.00 179.01 179.30 2qof h ALA 795 N 1.28 0.76 -0.33 1.06 0.00 -1.48 -1.84 119.26 118.72 2qof h ALA 795 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2qof h ALA 795 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2qof h ALA 795 CO 0.08 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.87 2qof h ILE 796 N 0.66 1.23 -0.21 0.00 2.04 -1.04 -0.90 117.51 119.28 2qof h ILE 796 Ca 0.07 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 2qof h ILE 796 Cb 0.87 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2qof h ILE 796 CO 0.08 0.27 -0.01 0.00 0.00 0.00 0.00 178.15 178.48 2qof h ALA 797 N 0.90 0.29 -0.05 1.87 0.00 -0.77 -3.39 119.26 118.10 2qof h ALA 797 Ca 0.10 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2qof h ALA 797 Cb 0.34 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 17.79 2qof h ALA 797 CO 0.01 0.03 -0.66 2.48 0.00 0.00 0.00 179.25 181.10 2qof n TYR 798 N -4.66 -0.11 -2.92 0.00 0.18 -0.70 -5.02 117.16 103.92 2qof n TYR 798 Ca -0.04 -0.86 -0.22 0.00 1.88 0.00 0.00 57.90 58.66 2qof n TYR 798 Cb 0.24 0.31 0.03 0.00 -0.38 0.00 0.00 39.34 39.54 2qof n TYR 798 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qof n ARG 799 N -0.09 -4.28 -2.74 -3.48 1.74 -0.34 -4.91 116.66 102.56 2qof n ARG 799 Ca -0.10 0.91 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 2qof n ARG 799 Cb 0.90 -5.74 -0.02 0.00 -1.02 0.00 0.00 32.46 26.58 2qof n ARG 799 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2qof s LYS 800 N -5.60 3.68 -0.25 5.56 2.47 -1.14 -4.92 119.74 119.55 2qof s LYS 800 Ca 0.25 -1.59 -0.10 0.00 -1.56 0.00 0.00 55.97 52.97 2qof s LYS 800 Cb -0.11 -5.18 -0.05 0.00 -1.46 0.00 0.00 37.83 31.03 2qof s LYS 800 CO 0.31 -2.01 0.17 -0.06 0.16 0.00 0.00 175.35 173.92 2qof s PHE 801 N 3.71 3.27 0.30 4.03 0.08 -1.26 -3.48 117.98 124.63 2qof s PHE 801 Ca 0.41 0.16 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 2qof s PHE 801 Cb -0.02 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2qof s PHE 801 CO -0.07 -0.03 0.34 0.95 -0.10 0.00 0.00 175.22 176.31 2qof s THR 802 N 1.33 0.00 0.49 0.64 -4.23 -1.26 -4.98 115.64 107.63 2qof s THR 802 Ca 0.07 -1.78 0.26 0.00 -1.18 0.00 0.00 61.69 59.05 2qof s THR 802 Cb -0.14 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.47 2qof s THR 802 CO 0.07 0.00 2.14 0.28 -0.54 0.00 0.00 174.62 176.57 2qof h SER 803 N 2.24 0.00 0.69 3.99 0.02 -1.97 -1.08 113.55 117.43 2qof h SER 803 Ca -0.29 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 2qof h SER 803 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2qof h SER 803 CO 0.41 0.08 -0.41 0.00 -1.14 0.00 0.00 176.83 175.76 2qof h ALA 804 N 1.92 1.07 -0.01 3.77 0.00 -1.94 -0.54 119.26 123.53 2qof h ALA 804 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2qof h ALA 804 Cb 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qof h ALA 804 CO 0.01 0.52 -0.68 0.66 0.00 0.00 0.00 179.25 179.76 2qof h SER 805 N 0.00 0.05 -0.02 0.00 4.64 -1.53 -2.34 113.55 114.35 2qof h SER 805 Ca -0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 2qof h SER 805 Cb 0.87 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2qof h SER 805 CO 0.05 0.71 -0.23 0.44 -0.87 0.00 0.00 176.83 176.93 2qof h ASP 806 N 0.03 0.41 -0.73 4.97 3.32 -0.92 -2.14 116.42 121.35 2qof h ASP 806 Ca -0.01 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2qof h ASP 806 Cb 1.20 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2qof h ASP 806 CO 0.09 0.64 0.26 0.58 -1.72 0.00 0.00 179.24 179.10 2qof h VAL 807 N 0.37 1.26 -0.23 -1.35 2.07 -0.88 0.63 116.25 118.12 2qof h VAL 807 Ca 0.06 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.79 2qof h VAL 807 Cb 0.61 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2qof h VAL 807 CO 0.04 0.33 -0.11 -0.25 0.02 0.00 0.00 177.57 177.61 2qof h TRP 808 N 1.06 -0.26 -0.87 1.57 2.91 -1.14 -1.02 115.95 118.20 2qof h TRP 808 Ca 0.24 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.33 2qof h TRP 808 Cb 0.25 0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.00 2qof h TRP 808 CO 0.02 -0.17 0.56 0.77 -1.03 0.00 0.00 178.44 178.59 2qof h SER 809 N -0.08 0.91 -0.93 2.65 0.02 -0.91 -1.40 113.55 113.81 2qof h SER 809 Ca 0.12 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2qof h SER 809 Cb 0.27 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 2qof h SER 809 CO -0.28 0.61 0.60 0.22 -1.14 0.00 0.00 176.83 176.83 2qof h TYR 810 N 1.06 1.11 -0.96 3.45 3.20 -0.20 -0.06 116.97 124.57 2qof h TYR 810 Ca 0.36 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.31 2qof h TYR 810 Cb 0.07 -0.36 -0.06 0.00 1.54 0.00 0.00 36.73 37.91 2qof h TYR 810 CO -0.02 0.60 0.62 0.78 -1.64 0.00 0.00 178.16 178.49 2qof h GLY 811 N 1.11 1.43 0.96 1.82 0.00 -0.12 0.90 103.07 109.17 2qof h GLY 811 Ca 0.39 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2qof h GLY 811 CO -0.15 0.35 0.12 -2.22 0.00 0.00 0.00 176.54 174.64 2qof h ILE 812 N 1.15 1.23 -0.82 2.60 1.08 -0.69 -1.95 117.51 120.11 2qof h ILE 812 Ca 0.40 -0.81 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 2qof h ILE 812 Cb 0.10 0.89 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 2qof h ILE 812 CO -0.15 0.29 0.53 0.58 -0.69 0.00 0.00 178.15 178.71 2qof h VAL 813 N 0.61 1.15 -0.57 1.67 2.07 -0.31 0.81 116.25 121.68 2qof h VAL 813 Ca 0.14 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2qof h VAL 813 Cb 0.31 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2qof h VAL 813 CO 0.00 0.19 0.27 0.25 0.02 0.00 0.00 177.57 178.31 2qof h LEU 814 N 1.05 0.37 -0.54 2.57 5.85 -0.62 0.78 115.31 124.78 2qof h LEU 814 Ca 0.32 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 2qof h LEU 814 Cb -0.02 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2qof h LEU 814 CO -0.10 0.25 0.21 -0.25 -0.34 0.00 0.00 178.44 178.21 2qof h TRP 815 N 0.52 0.82 -0.61 1.25 7.01 -0.60 -1.57 115.95 122.77 2qof h TRP 815 Ca 0.26 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.22 2qof h TRP 815 Cb 0.21 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 2qof h TRP 815 CO -0.11 0.68 0.38 0.93 -2.79 0.00 0.00 178.44 177.53 2qof h GLU 816 N 0.73 0.74 -0.07 2.65 5.08 -0.11 -0.94 114.58 122.66 2qof h GLU 816 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2qof h GLU 816 Cb 0.20 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qof h GLU 816 CO -0.01 0.49 0.00 0.28 -1.00 0.00 0.00 179.01 178.77 2qof h VAL 817 N 0.76 1.25 0.00 3.13 2.07 -0.70 0.14 116.25 122.91 2qof h VAL 817 Ca 0.24 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2qof h VAL 817 Cb -0.02 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2qof h VAL 817 CO -0.08 0.22 0.00 0.24 0.02 0.00 0.00 177.57 177.96 2qof h MET 818 N -0.16 0.00 -0.56 1.57 2.86 -1.16 -1.28 114.93 116.19 2qof h MET 818 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qof h MET 818 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2qof h MET 818 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 2qof n SER 819 N -2.71 4.71 -3.89 1.22 3.41 -0.37 -4.70 113.62 111.29 2qof n SER 819 Ca 0.01 -2.58 -0.27 0.00 -0.26 0.00 0.00 58.87 55.77 2qof n SER 819 Cb 0.24 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2qof n SER 819 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qof n TYR 820 N 0.78 -2.01 -0.82 7.33 4.01 -0.48 -2.53 117.16 123.43 2qof n TYR 820 Ca 0.25 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.83 2qof n TYR 820 Cb 0.92 -3.96 0.00 0.00 -0.31 0.00 0.00 39.34 35.98 2qof n TYR 820 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qof n GLY 821 N -1.67 0.52 3.75 2.72 0.00 0.44 -2.97 105.19 107.97 2qof n GLY 821 Ca -0.12 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 2qof n GLY 821 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qof s GLU 822 N -1.23 2.79 -0.02 1.61 2.56 -1.05 -4.85 118.70 118.50 2qof s GLU 822 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 54.97 56.54 2qof s GLU 822 Cb 0.00 -1.90 -0.03 0.00 2.00 0.00 0.00 34.13 34.20 2qof s GLU 822 CO 0.00 -1.36 1.12 0.50 -0.56 0.00 0.00 175.26 174.96 2qof s ARG 823 N -3.42 4.43 0.20 4.30 3.52 -1.26 -4.75 118.95 121.97 2qof s ARG 823 Ca 0.78 1.60 -0.32 0.00 -0.13 0.00 0.00 55.73 57.65 2qof s ARG 823 Cb -0.32 -3.48 -0.13 0.00 -1.56 0.00 0.00 34.95 29.46 2qof s ARG 823 CO 0.36 -0.30 1.62 -2.30 -0.81 0.00 0.00 175.30 173.88 2qof n PRO 824 N 4.58 2.46 -1.46 5.12 -0.02 -1.26 -1.06 135.00 143.36 2qof n PRO 824 Ca 0.09 0.88 -0.16 0.00 -2.02 0.00 0.00 63.50 62.30 2qof n PRO 824 Cb 0.48 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 2qof n PRO 824 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qof n TYR 825 N 3.35 0.00 -0.05 6.00 4.01 -1.26 -4.80 117.16 124.40 2qof n TYR 825 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2qof n TYR 825 Cb 0.32 -3.06 0.00 0.00 -0.31 0.00 0.00 39.34 36.30 2qof n TYR 825 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2qof n TRP 826 N -2.35 0.00 -1.27 -0.72 8.01 -0.23 -1.70 117.44 119.19 2qof n TRP 826 Ca -0.16 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 55.99 2qof n TRP 826 Cb 0.62 0.00 0.22 0.00 -2.01 0.00 0.00 31.31 30.14 2qof n TRP 826 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2qof n GLU 827 N 14.00 2.35 -1.59 -0.99 -0.58 -1.26 -4.93 120.64 127.64 2qof n GLU 827 Ca 0.00 -3.07 -0.41 0.00 -0.42 0.00 0.00 57.16 53.26 2qof n GLU 827 Cb 0.00 -1.92 0.02 0.00 -0.57 0.00 0.00 31.44 28.97 2qof n GLU 827 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2qof n MET 828 N -0.88 1.18 -1.65 3.49 2.81 -0.69 -4.88 117.12 116.51 2qof n MET 828 Ca 0.35 0.43 -0.45 0.00 -1.81 0.00 0.00 57.70 56.21 2qof n MET 828 Cb 1.13 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 2qof n MET 828 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2qof n SER 829 N 0.49 2.30 -0.33 7.83 7.64 -1.26 -4.78 113.62 125.51 2qof n SER 829 Ca 0.10 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.22 2qof n SER 829 Cb 0.40 -1.38 0.28 0.00 -1.01 0.00 0.00 64.21 62.51 2qof n SER 829 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2qof h ASN 830 N 3.56 0.84 -0.13 6.43 4.21 -2.00 0.09 115.58 128.59 2qof h ASN 830 Ca -0.44 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.07 2qof h ASN 830 Cb 1.30 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 2qof h ASN 830 CO 0.71 0.46 -0.02 1.56 -1.29 0.00 0.00 177.43 178.84 2qof h GLN 831 N 0.91 0.38 -0.10 0.81 1.08 -2.00 -1.34 115.11 114.86 2qof h GLN 831 Ca 0.47 -0.07 -0.20 0.00 -1.45 0.00 0.00 58.65 57.39 2qof h GLN 831 Cb 0.52 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2qof h GLN 831 CO -0.23 0.43 -0.77 -0.44 -0.95 0.00 0.00 178.83 176.87 2qof h ASP 832 N 0.37 0.69 -0.42 1.46 3.32 -1.39 -1.25 116.42 119.20 2qof h ASP 832 Ca 0.08 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.71 2qof h ASP 832 Cb 0.29 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2qof h ASP 832 CO 0.01 1.23 0.21 0.58 -1.72 0.00 0.00 179.24 179.54 2qof h VAL 833 N 0.39 0.96 0.01 -1.35 2.07 -0.77 0.40 116.25 117.95 2qof h VAL 833 Ca -0.04 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qof h VAL 833 Cb 1.37 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2qof h VAL 833 CO 0.14 0.08 -0.00 0.40 0.02 0.00 0.00 177.57 178.21 2qof h ILE 834 N 0.42 1.04 -0.31 4.57 2.04 -1.21 -2.40 117.51 121.66 2qof h ILE 834 Ca 0.18 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 2qof h ILE 834 Cb 0.10 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2qof h ILE 834 CO -0.13 0.04 -0.20 0.50 0.00 0.00 0.00 178.15 178.36 2qof h LYS 835 N -0.07 0.69 -0.15 2.37 1.63 -1.12 -2.17 116.57 117.74 2qof h LYS 835 Ca -0.00 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.48 2qof h LYS 835 Cb 0.07 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2qof h LYS 835 CO 0.00 0.92 0.08 0.00 -3.45 0.00 0.00 179.45 177.00 2qof h ALA 836 N 0.75 0.19 -0.58 5.00 0.00 -0.95 -0.48 119.26 123.19 2qof h ALA 836 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qof h ALA 836 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2qof h ALA 836 CO 0.05 -0.26 0.36 0.28 0.00 0.00 0.00 179.25 179.69 2qof h VAL 837 N 0.13 1.09 -0.96 0.00 2.07 -1.44 -1.10 116.25 116.04 2qof h VAL 837 Ca 0.05 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2qof h VAL 837 Cb 0.10 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2qof h VAL 837 CO -0.01 0.13 0.63 -0.78 0.02 0.00 0.00 177.57 177.57 2qof h ASP 838 N 0.73 1.07 0.41 0.57 3.58 -1.08 -1.62 116.42 120.08 2qof h ASP 838 Ca 0.23 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2qof h ASP 838 Cb -0.01 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.78 2qof h ASP 838 CO -0.08 0.76 0.00 -0.62 -2.88 0.00 0.00 179.24 176.41 2qof n GLU 839 N -4.41 0.13 0.00 0.28 1.02 -0.21 -4.85 120.64 112.59 2qof n GLU 839 Ca 0.12 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2qof n GLU 839 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2qof n GLU 839 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qof n GLY 840 N 0.12 0.75 3.77 0.62 0.00 -0.61 -4.93 105.19 104.92 2qof n GLY 840 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2qof n GLY 840 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qof s TYR 841 N -2.00 3.28 0.09 1.61 2.02 -0.47 -0.77 117.35 121.12 2qof s TYR 841 Ca 0.00 1.64 0.02 0.00 -0.37 0.00 0.00 57.07 58.35 2qof s TYR 841 Cb 0.00 -3.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.30 2qof s TYR 841 CO 0.00 -0.77 -0.07 1.03 -1.57 0.00 0.00 175.55 174.17 2qof s ARG 842 N -2.23 0.80 0.38 -0.62 1.81 0.67 -4.06 118.95 115.69 2qof s ARG 842 Ca 0.55 -1.27 -0.27 0.00 -1.72 0.00 0.00 55.73 53.01 2qof s ARG 842 Cb -0.26 -0.20 -0.11 0.00 -0.45 0.00 0.00 34.95 33.93 2qof s ARG 842 CO 0.33 -0.01 1.35 1.28 -0.68 0.00 0.00 175.30 177.57 2qof n LEU 843 N 0.11 4.15 -4.84 2.53 4.77 -1.26 -1.05 117.00 121.41 2qof n LEU 843 Ca -0.13 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.73 2qof n LEU 843 Cb 0.60 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.22 2qof n LEU 843 CO 0.29 -0.31 0.73 -2.16 -1.33 0.00 0.00 177.39 174.61 2qof s PRO 844 N -2.07 2.53 0.21 3.23 0.04 -1.26 -4.74 135.00 132.94 2qof s PRO 844 Ca 0.57 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 2qof s PRO 844 Cb -0.52 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2qof s PRO 844 CO 0.61 -1.30 1.57 -1.25 0.04 0.00 0.00 177.00 176.68 2qof s PRO 845 N -5.22 4.20 0.83 0.56 0.04 -1.26 -4.96 135.00 129.18 2qof s PRO 845 Ca 0.59 2.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.92 2qof s PRO 845 Cb -0.13 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 31.37 2qof s PRO 845 CO 0.53 -0.60 1.01 -2.30 0.04 0.00 0.00 177.00 175.68 2qof n PRO 846 N 3.41 0.04 -1.67 0.56 -0.02 -1.26 -4.88 135.00 131.17 2qof n PRO 846 Ca 0.12 0.08 -0.45 0.00 -2.02 0.00 0.00 63.50 61.23 2qof n PRO 846 Cb 0.38 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2qof n PRO 846 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2qof n MET 847 N -2.91 2.12 -2.22 -0.52 0.00 -1.26 -1.84 117.12 110.49 2qof n MET 847 Ca 0.12 0.76 -0.19 0.00 -0.00 0.00 0.00 57.70 58.38 2qof n MET 847 Cb 0.51 -2.47 -0.03 0.00 0.00 0.00 0.00 33.22 31.23 2qof n MET 847 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2qof n ASP 848 N 2.73 -5.49 -4.70 6.12 8.00 -1.26 -4.94 116.55 117.02 2qof n ASP 848 Ca 0.14 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.34 2qof n ASP 848 Cb 0.30 -4.64 -0.03 0.00 -0.02 0.00 0.00 41.12 36.73 2qof n ASP 848 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qof n PRO 850 N 4.84 1.68 -0.34 0.00 -0.02 -1.26 -1.33 135.00 138.56 2qof n PRO 850 Ca 0.11 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 2qof n PRO 850 Cb 0.45 -2.15 0.29 0.00 -0.02 0.00 0.00 33.50 32.07 2qof n PRO 850 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qof h ALA 851 N 3.41 1.57 -0.65 3.55 0.00 -0.84 -1.11 119.26 125.19 2qof h ALA 851 Ca -0.44 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2qof h ALA 851 Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2qof h ALA 851 CO 0.70 -0.01 0.30 0.00 0.00 0.00 0.00 179.25 180.24 2qof h ALA 852 N 1.61 1.31 0.09 0.00 0.00 -1.87 -0.34 119.26 120.06 2qof h ALA 852 Ca 0.55 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 55.03 2qof h ALA 852 Cb 0.79 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2qof h ALA 852 CO -0.36 0.53 -1.18 -0.07 0.00 0.00 0.00 179.25 178.17 2qof h LEU 853 N 0.92 0.78 -0.64 0.00 3.38 -1.60 -2.01 115.31 116.14 2qof h LEU 853 Ca 0.22 -0.70 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2qof h LEU 853 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2qof h LEU 853 CO -0.03 1.51 0.11 0.22 0.09 0.00 0.00 178.44 180.35 2qof h TYR 854 N 0.26 1.12 -0.83 1.13 3.20 -1.13 -1.57 116.97 119.16 2qof h TYR 854 Ca -0.16 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 61.59 2qof h TYR 854 Cb 1.85 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.76 2qof h TYR 854 CO 0.10 0.94 0.53 0.37 -1.64 0.00 0.00 178.16 178.46 2qof h GLN 855 N 0.97 0.99 -0.85 1.82 5.75 -1.08 -1.10 115.11 121.61 2qof h GLN 855 Ca 0.20 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2qof h GLN 855 Cb 0.42 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 2qof h GLN 855 CO 0.01 0.65 0.53 1.25 -2.65 0.00 0.00 178.83 178.62 2qof h LEU 856 N 1.02 1.01 -0.04 -2.39 5.85 -0.99 -0.09 115.31 119.68 2qof h LEU 856 Ca 0.33 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.02 2qof h LEU 856 Cb 0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2qof h LEU 856 CO -0.12 0.77 -0.10 0.24 -0.34 0.00 0.00 178.44 178.88 2qof h MET 857 N 1.17 -0.15 -0.76 1.25 2.86 -0.74 -0.55 114.93 118.00 2qof h MET 857 Ca 0.31 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.98 2qof h MET 857 Cb -0.07 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 2qof h MET 857 CO -0.06 -0.10 0.50 -0.07 1.06 0.00 0.00 176.91 178.24 2qof h LEU 858 N -0.16 0.83 -0.44 1.22 3.38 -0.72 -0.72 115.31 118.71 2qof h LEU 858 Ca 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2qof h LEU 858 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2qof h LEU 858 CO -0.13 0.58 0.00 0.44 0.09 0.00 0.00 178.44 179.42 2qof h ASP 859 N 0.97 0.75 0.20 -0.43 3.32 -0.62 -2.31 116.42 118.30 2qof h ASP 859 Ca 0.29 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2qof h ASP 859 Cb -0.01 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2qof h ASP 859 CO -0.08 0.88 -0.12 0.00 -1.72 0.00 0.00 179.24 178.20 2qof n TRP 861 N -4.03 2.16 -2.04 0.00 8.01 -0.35 -3.70 117.44 117.50 2qof n TRP 861 Ca -0.02 -0.97 -0.41 0.00 -1.31 0.00 0.00 57.50 54.78 2qof n TRP 861 Cb 0.21 -0.60 -0.02 0.00 -2.01 0.00 0.00 31.31 28.89 2qof n TRP 861 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2qof s GLN 862 N -2.71 4.29 0.18 -0.99 -0.21 -1.05 -4.90 119.66 114.27 2qof s GLN 862 Ca 0.50 2.29 -0.13 0.00 0.02 0.00 0.00 55.36 58.04 2qof s GLN 862 Cb 0.39 -3.09 0.17 0.00 1.00 0.00 0.00 33.01 31.48 2qof s GLN 862 CO 0.13 -0.35 1.76 -0.22 -2.12 0.00 0.00 175.29 174.49 2qof h LYS 863 N 4.34 0.40 -6.60 2.91 3.64 -1.93 -3.37 116.57 115.96 2qof h LYS 863 Ca -0.47 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.32 2qof h LYS 863 Cb 1.22 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 2qof h LYS 863 CO 0.73 0.26 0.93 0.34 -2.27 0.00 0.00 179.45 179.44 2qof s ASP 864 N -5.43 6.66 0.56 4.20 -1.08 -1.26 -4.92 116.67 115.41 2qof s ASP 864 Ca -0.13 0.66 0.24 0.00 -0.52 0.00 0.00 52.55 52.80 2qof s ASP 864 Cb 0.14 -2.55 1.60 0.00 -1.46 0.00 0.00 42.92 40.66 2qof s ASP 864 CO 0.73 -1.19 2.21 0.08 0.52 0.00 0.00 175.17 177.52 2qof h ARG 865 N 9.18 0.00 0.00 4.34 0.11 -1.97 -0.33 114.38 125.71 2qof h ARG 865 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 2qof h ARG 865 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2qof h ARG 865 CO 1.10 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 180.26 2qof h ASN 866 N 0.00 0.00 0.09 0.08 2.35 -1.93 -2.87 115.58 113.30 2qof h ASN 866 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qof h ASN 866 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qof h ASN 866 CO 0.00 0.00 -0.18 0.59 -1.65 0.00 0.00 177.43 176.19 2qof n ASN 867 N -2.72 1.55 -4.80 5.81 3.02 -0.13 -4.92 115.26 113.07 2qof n ASN 867 Ca 0.01 -1.30 -0.34 0.00 -0.03 0.00 0.00 54.58 52.91 2qof n ASN 867 Cb 0.24 0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 2qof n ASN 867 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qof s ARG 868 N -2.28 4.01 0.66 3.52 0.52 -1.09 -4.93 118.95 119.37 2qof s ARG 868 Ca 0.28 1.31 -0.15 0.00 -0.52 0.00 0.00 55.73 56.64 2qof s ARG 868 Cb 0.20 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.46 2qof s ARG 868 CO 0.44 -0.24 1.13 -1.25 0.02 0.00 0.00 175.30 175.40 2qof s PRO 869 N -3.07 2.71 0.61 3.54 0.04 -1.26 -5.03 135.00 132.53 2qof s PRO 869 Ca 0.64 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 2qof s PRO 869 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2qof s PRO 869 CO 0.19 -1.34 1.01 0.15 0.04 0.00 0.00 177.00 177.05 2qof s LYS 870 N -3.98 3.62 0.37 4.56 -0.14 -1.26 -4.91 119.74 118.01 2qof s LYS 870 Ca 0.69 0.74 0.06 0.00 -1.36 0.00 0.00 55.97 56.10 2qof s LYS 870 Cb -0.23 -2.10 0.75 0.00 -1.68 0.00 0.00 37.83 34.57 2qof s LYS 870 CO 0.41 -0.53 1.98 0.74 -0.76 0.00 0.00 175.35 177.19 2qof h PHE 871 N -0.20 0.72 -0.71 3.18 0.04 -1.93 -0.91 116.94 117.12 2qof h PHE 871 Ca -0.44 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.33 2qof h PHE 871 Cb 1.19 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 2qof h PHE 871 CO 0.65 0.41 0.39 1.49 -0.60 0.00 0.00 178.31 180.65 2qof h GLU 872 N 0.74 0.99 -0.52 1.51 4.81 -1.93 -0.62 114.58 119.56 2qof h GLU 872 Ca 0.27 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2qof h GLU 872 Cb 0.16 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2qof h GLU 872 CO -0.08 0.72 -0.16 1.96 -0.73 0.00 0.00 179.01 180.72 2qof h GLN 873 N 1.00 1.02 -0.38 1.92 4.20 -1.59 -1.90 115.11 119.38 2qof h GLN 873 Ca 0.25 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2qof h GLN 873 Cb 0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2qof h GLN 873 CO -0.04 1.09 0.21 0.82 -0.67 0.00 0.00 178.83 180.24 2qof h ILE 874 N 0.89 1.14 -0.50 2.54 2.04 -0.65 0.41 117.51 123.38 2qof h ILE 874 Ca 0.13 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2qof h ILE 874 Cb 0.74 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2qof h ILE 874 CO 0.06 0.15 0.30 0.58 0.00 0.00 0.00 178.15 179.24 2qof h VAL 875 N 0.48 1.05 -0.63 1.67 2.07 -1.03 -1.61 116.25 118.25 2qof h VAL 875 Ca 0.13 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2qof h VAL 875 Cb 0.05 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2qof h VAL 875 CO -0.02 0.11 0.40 -1.28 0.02 0.00 0.00 177.57 176.79 2qof h SER 876 N 0.60 0.75 -0.41 0.57 0.87 -0.99 0.49 113.55 115.42 2qof h SER 876 Ca 0.20 -0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2qof h SER 876 Cb 0.02 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2qof h SER 876 CO -0.09 0.57 0.24 0.40 -0.53 0.00 0.00 176.83 177.42 2qof h ILE 877 N 0.86 1.04 -0.30 2.23 2.04 -0.55 -1.08 117.51 121.74 2qof h ILE 877 Ca 0.23 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.75 2qof h ILE 877 Cb -0.05 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2qof h ILE 877 CO -0.05 0.09 -0.48 -0.07 0.00 0.00 0.00 178.15 177.64 2qof h LEU 878 N 0.49 0.91 -0.98 1.44 3.38 -1.01 -2.39 115.31 117.15 2qof h LEU 878 Ca 0.17 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2qof h LEU 878 Cb 0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 2qof h LEU 878 CO -0.08 1.24 0.64 0.44 0.09 0.00 0.00 178.44 180.76 2qof h ASP 879 N 0.65 1.05 -0.68 -0.43 3.32 -0.68 -0.82 116.42 118.84 2qof h ASP 879 Ca 0.03 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2qof h ASP 879 Cb 1.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2qof h ASP 879 CO 0.11 0.71 0.28 0.11 -1.72 0.00 0.00 179.24 178.73 2qof h LYS 880 N 1.21 1.01 -0.63 3.56 1.57 -0.97 -0.64 116.57 121.69 2qof h LYS 880 Ca 0.40 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2qof h LYS 880 Cb 0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2qof h LYS 880 CO -0.14 0.83 0.15 -0.07 -0.57 0.00 0.00 179.45 179.66 2qof h LEU 881 N 0.96 0.94 -0.68 2.94 3.38 -0.92 0.56 115.31 122.50 2qof h LEU 881 Ca 0.23 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2qof h LEU 881 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qof h LEU 881 CO -0.02 0.91 0.19 0.40 0.09 0.00 0.00 178.44 180.01 2qof h ILE 882 N 0.95 1.26 -0.12 1.22 2.04 -0.92 -2.64 117.51 119.31 2qof h ILE 882 Ca 0.20 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 2qof h ILE 882 Cb 0.34 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2qof h ILE 882 CO 0.00 0.35 -0.44 -0.09 0.00 0.00 0.00 178.15 177.98 2qof h ARG 883 N 1.00 0.27 -2.17 2.37 2.43 -0.77 -3.33 114.38 114.18 2qof h ARG 883 Ca 0.22 -0.14 -0.59 0.00 -0.81 0.00 0.00 59.98 58.66 2qof h ARG 883 Cb 0.33 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.47 2qof h ARG 883 CO -0.00 0.66 -0.70 -1.71 -1.51 0.00 0.00 179.97 176.71 2qof n ASN 884 N -4.00 3.24 0.31 -3.80 5.15 0.16 -4.95 115.26 111.36 2qof n ASN 884 Ca -0.02 -3.36 0.18 0.00 -0.60 0.00 0.00 54.58 50.78 2qof n ASN 884 Cb 0.50 -0.65 1.03 0.00 -0.53 0.00 0.00 39.78 40.13 2qof n ASN 884 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qof h PRO 885 N 3.90 0.00 -0.33 1.20 0.13 -1.60 -0.49 132.00 134.81 2qof h PRO 885 Ca 0.16 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.39 2qof h PRO 885 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2qof h PRO 885 CO 0.77 0.00 0.25 0.78 -0.23 0.00 0.00 178.00 179.57 2qof h GLY 886 N 0.04 0.00 0.70 1.56 0.00 -1.93 -1.58 103.07 101.87 2qof h GLY 886 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 2qof h GLY 886 CO 0.00 0.00 0.52 1.48 0.00 0.00 0.00 176.54 178.54 2qof h SER 887 N 0.00 0.52 0.58 0.19 4.64 -1.40 -1.31 113.55 116.78 2qof h SER 887 Ca 0.16 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2qof h SER 887 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2qof h SER 887 CO -0.00 0.28 0.00 0.18 -0.87 0.00 0.00 176.83 176.42 2qof n LEU 888 N -4.51 0.09 0.21 5.97 4.77 -0.59 -2.81 117.00 120.13 2qof n LEU 888 Ca 0.15 0.52 0.14 0.00 -0.03 0.00 0.00 56.01 56.79 2qof n LEU 888 Cb 0.45 -0.51 0.43 0.00 -2.33 0.00 0.00 43.42 41.47 2qof n LEU 888 CO 0.32 -0.26 0.89 0.11 -1.33 0.00 0.00 177.39 177.12 2qof h LYS 889 N 0.00 0.00 -6.60 3.23 1.57 -1.37 -3.42 116.57 109.98 2qof h LYS 889 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2qof h LYS 889 Cb 0.29 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 2qof h LYS 889 CO 0.00 0.00 1.01 0.42 -0.57 0.00 0.00 179.45 180.31 2qof s ILE 890 N -3.38 4.02 0.01 1.86 1.01 -1.13 -5.00 121.20 118.60 2qof s ILE 890 Ca 0.05 1.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.63 2qof s ILE 890 Cb 0.08 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2qof s ILE 890 CO 0.58 -0.95 0.31 -0.63 0.00 0.00 0.00 174.94 174.24 2qof s ILE 891 N 5.07 5.23 0.61 2.92 -1.09 -1.26 -0.23 121.20 132.44 2qof s ILE 891 Ca 0.53 0.34 -0.19 0.00 -2.23 0.00 0.00 60.65 59.10 2qof s ILE 891 Cb -0.10 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2qof s ILE 891 CO 0.31 0.40 1.29 -0.89 -1.23 0.00 0.00 174.94 174.83 2qof s THR 892 N -1.26 2.18 0.05 2.92 2.01 -0.44 -4.55 115.64 116.54 2qof s THR 892 Ca 0.27 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.18 2qof s THR 892 Cb -0.14 -3.05 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2qof s THR 892 CO 0.15 -0.02 1.31 -1.28 -0.69 0.00 0.00 174.62 174.10 2qof h SER 893 N 0.89 -0.82 0.00 3.53 0.87 -1.97 -3.46 113.55 112.58 2qof h SER 893 Ca -0.51 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2qof h SER 893 Cb 1.32 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2qof h SER 893 CO 0.55 -0.36 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 2qof n ALA 894 N -2.61 0.00 0.00 6.23 0.00 -1.26 -5.17 120.51 117.70 2qof n ALA 894 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qof n ALA 894 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2qof n ALA 894 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qof n SER 899 N 0.00 0.00 -4.36 0.00 7.64 -1.26 -4.94 113.62 110.70 2qof n SER 899 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2qof n SER 899 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2qof n SER 899 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qof s ASN 900 N -0.24 2.22 0.31 6.43 4.22 -1.26 -5.09 114.94 121.54 2qof s ASN 900 Ca 0.00 -1.18 -0.10 0.00 -2.14 0.00 0.00 52.86 49.44 2qof s ASN 900 Cb 0.00 -0.07 -0.07 0.00 1.28 0.00 0.00 41.25 42.39 2qof s ASN 900 CO 0.00 -0.42 0.65 -0.76 -2.04 0.00 0.00 177.10 174.53 2qof s LEU 901 N -3.35 4.02 -0.13 3.54 1.43 -1.26 -4.31 118.68 118.62 2qof s LEU 901 Ca 0.28 0.99 -0.03 0.00 -1.03 0.00 0.00 54.13 54.34 2qof s LEU 901 Cb 0.04 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2qof s LEU 901 CO 0.09 -0.22 -0.03 -0.76 0.23 0.00 0.00 176.35 175.65 2qof s LEU 902 N -3.34 3.31 -0.13 1.79 1.43 -0.21 -4.86 118.68 116.66 2qof s LEU 902 Ca 0.49 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 2qof s LEU 902 Cb -0.11 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2qof s LEU 902 CO 0.26 0.23 1.15 -0.22 0.23 0.00 0.00 176.35 178.00 2qof s LEU 903 N -0.01 4.21 -0.50 1.79 2.96 -1.26 -0.24 118.68 125.62 2qof s LEU 903 Ca 0.01 1.63 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 2qof s LEU 903 Cb -0.13 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.14 2qof s LEU 903 CO 0.03 -0.63 0.25 -1.81 -1.32 0.00 0.00 176.35 172.87 2qof s ASP 904 N 1.49 4.60 -0.87 3.68 1.01 0.05 -4.96 116.67 121.67 2qof s ASP 904 Ca 0.52 -2.80 -0.25 0.00 0.71 0.00 0.00 52.55 50.73 2qof s ASP 904 Cb -0.20 -1.69 0.02 0.00 1.01 0.00 0.00 42.92 42.06 2qof s ASP 904 CO 0.16 -0.30 1.56 -1.58 0.21 0.00 0.00 175.17 175.22 2qof s GLN 905 N 0.02 3.16 0.00 8.23 0.74 -1.26 -4.89 119.66 125.66 2qof s GLN 905 Ca 0.16 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.06 2qof s GLN 905 Cb -0.24 -4.87 0.00 0.00 1.10 0.00 0.00 33.01 29.00 2qof s GLN 905 CO -0.02 -2.49 0.00 0.43 -0.55 0.00 0.00 175.29 172.66