#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsf s TYR 596 N 0.00 3.02 -0.13 -1.42 5.04 0.37 -5.02 117.35 119.21 2gsf s TYR 596 Ca 0.00 1.47 0.01 0.00 -2.44 0.00 0.00 57.07 56.11 2gsf s TYR 596 Cb 0.00 -3.58 -0.00 0.00 0.35 0.00 0.00 41.96 38.72 2gsf s TYR 596 CO 0.00 -1.71 -0.18 0.08 -1.34 0.00 0.00 175.55 172.40 2gsf s VAL 597 N -1.24 2.48 -0.00 3.14 1.01 -1.26 -4.92 120.40 119.61 2gsf s VAL 597 Ca 0.53 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2gsf s VAL 597 Cb -0.37 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 2gsf s VAL 597 CO 0.48 0.53 1.42 -0.62 0.00 0.00 0.00 175.10 176.91 2gsf s ASP 598 N 0.62 6.83 0.25 3.32 2.15 -1.26 -4.90 116.67 123.68 2gsf s ASP 598 Ca -0.10 2.13 0.13 0.00 0.43 0.00 0.00 52.55 55.14 2gsf s ASP 598 Cb -0.16 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.04 2gsf s ASP 598 CO 0.03 -0.74 1.47 -0.65 -0.17 0.00 0.00 175.17 175.11 2gsf h PRO 599 N 7.92 0.00 -1.77 4.34 0.11 -1.96 -3.51 132.00 137.14 2gsf h PRO 599 Ca -0.38 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.28 2gsf h PRO 599 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 2gsf h PRO 599 CO 0.91 0.65 0.44 0.72 -0.21 0.00 0.00 178.00 180.51 2gsf n HIS 600 N -3.40 1.70 0.00 0.65 8.25 -1.26 -5.21 115.22 115.96 2gsf n HIS 600 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 2gsf n HIS 600 Cb 0.74 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 30.62 2gsf n HIS 600 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2gsf n VAL 609 N 0.55 0.00 0.62 1.59 3.14 -1.26 -5.14 118.33 117.83 2gsf n VAL 609 Ca 0.43 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.93 2gsf n VAL 609 Cb 0.56 0.00 0.46 0.00 -1.06 0.00 0.00 33.84 33.80 2gsf n VAL 609 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2gsf n HIS 610 N -1.59 0.47 -0.32 1.45 8.25 -1.26 -0.95 115.22 121.26 2gsf n HIS 610 Ca 0.00 0.16 -0.04 0.00 -0.26 0.00 0.00 57.72 57.58 2gsf n HIS 610 Cb 0.00 -0.76 0.08 0.00 1.12 0.00 0.00 29.99 30.44 2gsf n HIS 610 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2gsf h GLU 611 N 0.00 1.19 0.00 -0.41 4.81 -2.02 -3.34 114.58 114.81 2gsf h GLU 611 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2gsf h GLU 611 Cb 0.47 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2gsf h GLU 611 CO 0.00 0.85 0.00 1.19 -0.73 0.00 0.00 179.01 180.32 2gsf n PHE 612 N -4.39 0.00 -4.78 0.92 3.72 -1.08 -5.01 117.46 106.84 2gsf n PHE 612 Ca 0.09 -0.14 -0.25 0.00 -0.05 0.00 0.00 57.45 57.10 2gsf n PHE 612 Cb 0.07 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.44 2gsf n PHE 612 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsf s ALA 613 N -0.28 1.44 0.21 4.37 0.00 -0.13 -4.46 121.76 122.90 2gsf s ALA 613 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2gsf s ALA 613 Cb 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 2gsf s ALA 613 CO 0.00 0.27 1.13 0.21 0.00 0.00 0.00 175.76 177.36 2gsf s LYS 614 N 0.03 4.58 -0.34 0.00 2.20 -1.26 -4.48 119.74 120.45 2gsf s LYS 614 Ca -0.03 1.79 -0.28 0.00 -0.36 0.00 0.00 55.97 57.08 2gsf s LYS 614 Cb -0.11 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2gsf s LYS 614 CO 0.02 0.06 1.05 -2.00 -0.36 0.00 0.00 175.35 174.12 2gsf s GLU 615 N -0.61 3.99 0.26 4.03 2.56 -1.26 -0.66 118.70 127.01 2gsf s GLU 615 Ca 0.49 0.92 -0.13 0.00 0.00 0.00 0.00 54.97 56.25 2gsf s GLU 615 Cb -0.31 -3.77 -0.08 0.00 2.00 0.00 0.00 34.13 31.97 2gsf s GLU 615 CO 0.37 -0.96 0.64 -0.51 -0.56 0.00 0.00 175.26 174.24 2gsf s LEU 616 N 3.70 4.15 -0.21 2.70 1.43 0.79 -4.93 118.68 126.32 2gsf s LEU 616 Ca 0.44 1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 54.43 2gsf s LEU 616 Cb -0.12 -3.80 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 2gsf s LEU 616 CO 0.18 -0.10 0.77 -0.62 0.23 0.00 0.00 176.35 176.80 2gsf s ASP 617 N -2.21 6.83 0.65 2.29 -1.08 -1.26 -4.69 116.67 117.20 2gsf s ASP 617 Ca 0.49 1.02 0.42 0.00 -0.52 0.00 0.00 52.55 53.96 2gsf s ASP 617 Cb -0.12 -2.42 2.27 0.00 -1.46 0.00 0.00 42.92 41.20 2gsf s ASP 617 CO 0.19 -0.41 2.33 0.00 0.52 0.00 0.00 175.17 177.80 2gsf h ALA 618 N 7.52 1.05 0.00 3.66 0.00 -1.96 -0.18 119.26 129.35 2gsf h ALA 618 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2gsf h ALA 618 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2gsf h ALA 618 CO 0.83 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.87 2gsf h THR 619 N 0.00 0.00 -0.01 0.00 1.35 -2.01 -1.98 112.91 110.25 2gsf h THR 619 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2gsf h THR 619 Cb 0.06 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2gsf h THR 619 CO 0.00 0.00 -0.19 0.59 -0.25 0.00 0.00 175.52 175.67 2gsf n ASN 620 N -2.98 1.21 -4.50 5.36 5.03 -0.08 -4.86 115.26 114.43 2gsf n ASN 620 Ca -0.02 -1.09 -0.34 0.00 0.87 0.00 0.00 54.58 54.01 2gsf n ASN 620 Cb 0.12 0.11 -0.12 0.00 -1.02 0.00 0.00 39.78 38.86 2gsf n ASN 620 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2gsf s ILE 621 N -2.36 3.88 -0.01 2.41 1.01 -0.75 -0.42 121.20 124.97 2gsf s ILE 621 Ca 0.28 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.63 2gsf s ILE 621 Cb 0.20 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2gsf s ILE 621 CO 0.47 0.50 -0.19 -0.94 0.00 0.00 0.00 174.94 174.77 2gsf s SER 622 N 0.32 2.27 -0.20 3.58 1.04 -0.45 -5.00 113.70 115.27 2gsf s SER 622 Ca -0.04 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 2gsf s SER 622 Cb -0.14 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 2gsf s SER 622 CO 0.03 0.23 0.14 -0.63 0.98 0.00 0.00 173.24 173.99 2gsf s ILE 623 N -0.49 5.40 -0.14 -1.02 1.01 -1.26 -1.18 121.20 123.51 2gsf s ILE 623 Ca 0.07 0.22 0.10 0.00 0.00 0.00 0.00 60.65 61.04 2gsf s ILE 623 Cb -0.08 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.75 2gsf s ILE 623 CO -0.00 0.44 0.00 0.47 0.00 0.00 0.00 174.94 175.84 2gsf n ASP 624 N 3.52 1.85 -3.65 3.58 9.92 -0.03 -4.96 116.55 126.79 2gsf n ASP 624 Ca -0.16 -0.02 -0.11 0.00 -0.53 0.00 0.00 54.79 53.97 2gsf n ASP 624 Cb 0.52 0.58 -0.08 0.00 -0.64 0.00 0.00 41.12 41.51 2gsf n ASP 624 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2gsf s LYS 625 N -2.34 0.72 -0.21 -1.24 2.20 -1.06 -5.01 119.74 112.80 2gsf s LYS 625 Ca -0.11 1.04 -0.10 0.00 -0.36 0.00 0.00 55.97 56.45 2gsf s LYS 625 Cb 0.05 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 2gsf s LYS 625 CO 0.53 -0.12 0.13 0.08 -0.36 0.00 0.00 175.35 175.60 2gsf s VAL 626 N 0.96 5.34 -0.72 4.02 1.01 -1.26 -0.89 120.40 128.86 2gsf s VAL 626 Ca -0.05 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2gsf s VAL 626 Cb -0.05 -3.45 0.27 0.00 0.00 0.00 0.00 36.38 33.15 2gsf s VAL 626 CO -0.09 0.42 0.92 0.52 0.00 0.00 0.00 175.10 176.88 2gsf n VAL 627 N 3.68 3.05 -3.62 2.92 0.31 0.75 -4.96 118.33 120.47 2gsf n VAL 627 Ca -0.16 -5.41 0.00 0.00 -0.01 0.00 0.00 64.34 58.76 2gsf n VAL 627 Cb 0.52 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 2gsf n VAL 627 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gsf n GLY 628 N 0.80 0.29 3.84 2.92 0.00 -1.25 -4.30 105.19 107.49 2gsf n GLY 628 Ca 0.30 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2gsf n GLY 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsf s ALA 629 N -1.72 3.71 0.07 4.61 0.00 -1.26 -1.57 121.76 125.61 2gsf s ALA 629 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2gsf s ALA 629 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2gsf s ALA 629 CO 0.00 0.64 0.03 0.41 0.00 0.00 0.00 175.76 176.85 2gsf n GLY 630 N -0.02 3.45 0.34 0.00 0.00 0.16 -4.81 105.19 104.31 2gsf n GLY 630 Ca -0.08 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 2gsf n GLY 630 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gsf h GLU 631 N 0.00 1.11 -0.01 1.61 4.81 -1.97 -3.29 114.58 116.84 2gsf h GLU 631 Ca -0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2gsf h GLU 631 Cb 0.17 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2gsf h GLU 631 CO 0.08 0.73 -0.18 1.19 -0.73 0.00 0.00 179.01 180.11 2gsf n PHE 632 N -4.51 0.00 -0.18 0.92 3.72 -1.26 -5.06 117.46 111.09 2gsf n PHE 632 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2gsf n PHE 632 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2gsf n PHE 632 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gsf n GLY 633 N 0.89 -0.56 3.94 1.37 0.00 -1.23 0.16 105.19 109.76 2gsf n GLY 633 Ca 0.05 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 2gsf n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gsf s GLU 634 N -1.55 3.36 -0.07 1.61 2.02 -1.22 0.39 118.70 123.24 2gsf s GLU 634 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2gsf s GLU 634 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.62 2gsf s GLU 634 CO 0.00 -0.00 -0.18 0.08 0.02 0.00 0.00 175.26 175.18 2gsf s VAL 635 N -2.41 1.56 0.36 2.63 1.01 -0.61 -1.57 120.40 121.37 2gsf s VAL 635 Ca 0.43 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2gsf s VAL 635 Cb -0.10 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 2gsf s VAL 635 CO 0.37 0.45 0.45 0.00 0.00 0.00 0.00 175.10 176.37 2gsf s SER 637 N -3.29 1.31 0.00 0.00 1.04 -0.07 -0.97 113.70 111.72 2gsf s SER 637 Ca 0.33 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2gsf s SER 637 Cb -0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2gsf s SER 637 CO 0.23 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2gsf n GLY 638 N -0.32 1.30 3.10 7.32 0.00 -0.07 -0.85 105.19 115.67 2gsf n GLY 638 Ca -0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2gsf n GLY 638 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsf s ARG 639 N 2.26 0.70 -0.08 1.61 0.52 -0.33 -0.97 118.95 122.67 2gsf s ARG 639 Ca 0.00 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 2gsf s ARG 639 Cb 0.00 -0.62 0.01 0.00 0.52 0.00 0.00 34.95 34.86 2gsf s ARG 639 CO 0.00 0.14 -0.15 -1.17 0.02 0.00 0.00 175.30 174.14 2gsf s LEU 640 N -1.34 1.74 -0.29 2.53 2.96 0.15 -1.34 118.68 123.10 2gsf s LEU 640 Ca -0.03 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.32 2gsf s LEU 640 Cb -0.09 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 2gsf s LEU 640 CO 0.01 0.06 0.53 -0.75 -1.32 0.00 0.00 176.35 174.88 2gsf s LYS 641 N 0.64 3.94 0.76 1.98 2.20 0.44 -1.16 119.74 128.54 2gsf s LYS 641 Ca -0.14 0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.55 2gsf s LYS 641 Cb -0.16 -3.70 0.05 0.00 -1.51 0.00 0.00 37.83 32.51 2gsf s LYS 641 CO 0.04 -0.45 1.12 -0.51 -0.36 0.00 0.00 175.35 175.19 2gsf s LEU 642 N 2.38 2.69 0.47 5.43 1.43 0.97 -4.85 118.68 127.20 2gsf s LEU 642 Ca 0.21 1.04 0.14 0.00 -1.03 0.00 0.00 54.13 54.50 2gsf s LEU 642 Cb -0.15 -3.70 1.10 0.00 0.03 0.00 0.00 46.19 43.47 2gsf s LEU 642 CO 0.11 -1.67 2.06 -0.65 0.23 0.00 0.00 176.35 176.43 2gsf h PRO 643 N -0.89 0.05 0.00 1.29 0.11 -1.98 0.10 132.00 130.69 2gsf h PRO 643 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gsf h PRO 643 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2gsf h PRO 643 CO 0.64 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.42 2gsf n SER 644 N -4.43 0.00 0.00 -2.05 3.41 -1.26 -4.89 113.62 104.40 2gsf n SER 644 Ca -0.02 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2gsf n SER 644 Cb 0.16 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2gsf n SER 644 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2gsf n LYS 645 N -1.03 0.00 -1.85 4.33 4.76 0.02 -5.03 118.16 119.36 2gsf n LYS 645 Ca 0.15 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 2gsf n LYS 645 Cb 0.08 -1.71 0.03 0.00 -1.84 0.00 0.00 35.03 31.59 2gsf n LYS 645 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2gsf s LYS 646 N -0.07 3.24 -0.10 1.97 2.20 -1.26 -4.65 119.74 121.08 2gsf s LYS 646 Ca 0.00 2.17 0.02 0.00 -0.36 0.00 0.00 55.97 57.81 2gsf s LYS 646 Cb 0.00 -2.29 -0.01 0.00 -1.51 0.00 0.00 37.83 34.02 2gsf s LYS 646 CO 0.00 -1.09 -0.18 -1.21 -0.36 0.00 0.00 175.35 172.52 2gsf s GLU 647 N -2.86 3.02 0.16 4.03 2.02 -1.26 -0.02 118.70 123.79 2gsf s GLU 647 Ca 0.70 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.99 2gsf s GLU 647 Cb -0.39 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2gsf s GLU 647 CO 0.46 0.31 -0.14 0.96 0.02 0.00 0.00 175.26 176.86 2gsf s ILE 648 N 0.08 1.52 0.39 -1.63 -4.36 -0.31 -4.96 121.20 111.93 2gsf s ILE 648 Ca -0.08 -1.97 -0.23 0.00 -0.26 0.00 0.00 60.65 58.11 2gsf s ILE 648 Cb -0.15 -1.81 -0.10 0.00 1.25 0.00 0.00 42.46 41.65 2gsf s ILE 648 CO 0.05 -0.51 0.97 -0.44 0.24 0.00 0.00 174.94 175.24 2gsf s SER 649 N -2.89 7.00 0.04 4.36 0.01 -1.26 -0.68 113.70 120.28 2gsf s SER 649 Ca 0.16 1.80 -0.05 0.00 1.31 0.00 0.00 55.95 59.17 2gsf s SER 649 Cb -0.02 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2gsf s SER 649 CO 0.04 -0.31 0.09 0.68 0.41 0.00 0.00 173.24 174.15 2gsf s VAL 650 N -1.91 0.14 0.03 3.43 -7.23 -0.14 -3.62 120.40 111.10 2gsf s VAL 650 Ca 0.58 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 2gsf s VAL 650 Cb -0.14 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 2gsf s VAL 650 CO 0.19 -0.63 0.46 0.00 -0.31 0.00 0.00 175.10 174.81 2gsf s ALA 651 N -2.70 3.66 -0.04 1.32 0.00 0.09 -0.89 121.76 123.20 2gsf s ALA 651 Ca -0.04 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2gsf s ALA 651 Cb -0.01 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.66 2gsf s ALA 651 CO -0.05 0.46 -0.09 0.42 0.00 0.00 0.00 175.76 176.50 2gsf s ILE 652 N -1.12 0.84 -0.00 0.00 1.01 -0.15 -1.04 121.20 120.74 2gsf s ILE 652 Ca 0.26 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.62 2gsf s ILE 652 Cb -0.17 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 2gsf s ILE 652 CO 0.15 0.27 -0.19 -0.54 0.00 0.00 0.00 174.94 174.63 2gsf s LYS 653 N 0.41 1.52 0.23 2.79 1.02 -0.42 -0.43 119.74 124.87 2gsf s LYS 653 Ca -0.07 -0.73 0.11 0.00 0.02 0.00 0.00 55.97 55.30 2gsf s LYS 653 Cb -0.11 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.65 2gsf s LYS 653 CO 0.01 0.41 -0.17 0.95 -0.92 0.00 0.00 175.35 175.63 2gsf s THR 654 N -0.52 2.70 -0.09 2.17 -4.23 -0.61 -0.90 115.64 114.17 2gsf s THR 654 Ca 0.07 -2.08 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 2gsf s THR 654 Cb -0.08 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 2gsf s THR 654 CO -0.00 -0.25 0.51 -0.22 -0.54 0.00 0.00 174.62 174.11 2gsf s LEU 655 N -3.13 4.31 0.58 4.79 2.96 -0.39 -3.36 118.68 124.44 2gsf s LEU 655 Ca 0.26 0.90 -0.19 0.00 -0.22 0.00 0.00 54.13 54.88 2gsf s LEU 655 Cb -0.07 -2.75 -0.06 0.00 0.50 0.00 0.00 46.19 43.82 2gsf s LEU 655 CO 0.14 0.03 0.96 2.29 -1.32 0.00 0.00 176.35 178.44 2gsf n LYS 656 N 3.42 0.95 -1.88 1.98 2.85 0.12 -4.49 118.16 121.12 2gsf n LYS 656 Ca -0.07 0.36 -0.41 0.00 -1.05 0.00 0.00 58.31 57.14 2gsf n LYS 656 Cb 0.52 -2.14 -0.01 0.00 -0.65 0.00 0.00 35.03 32.75 2gsf n LYS 656 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2gsf s VAL 657 N -1.49 2.23 -0.52 0.58 1.01 -1.26 -2.62 120.40 118.33 2gsf s VAL 657 Ca 0.74 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2gsf s VAL 657 Cb -0.43 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2gsf s VAL 657 CO 0.49 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2gsf n GLY 658 N 0.88 0.52 3.68 4.51 0.00 -1.26 -5.01 105.19 108.52 2gsf n GLY 658 Ca 0.02 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 2gsf n GLY 658 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2gsf n TYR 659 N -3.33 1.33 -2.74 1.61 0.18 -1.08 -5.03 117.16 108.10 2gsf n TYR 659 Ca -0.06 0.41 -0.26 0.00 1.88 0.00 0.00 57.90 59.87 2gsf n TYR 659 Cb 0.33 -2.16 0.00 0.00 -0.38 0.00 0.00 39.34 37.14 2gsf n TYR 659 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2gsf s THR 660 N -1.75 4.61 0.35 -3.48 -4.23 -1.26 -4.94 115.64 104.93 2gsf s THR 660 Ca 0.77 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 2gsf s THR 660 Cb -0.34 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.01 2gsf s THR 660 CO 0.47 -0.68 2.00 -0.33 -0.54 0.00 0.00 174.62 175.53 2gsf h GLU 661 N 0.25 0.82 -0.71 3.99 4.39 -1.99 -0.95 114.58 120.38 2gsf h GLU 661 Ca -0.47 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.11 2gsf h GLU 661 Cb 1.22 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 2gsf h GLU 661 CO 0.61 0.56 0.21 -0.22 -1.16 0.00 0.00 179.01 179.01 2gsf h LYS 662 N 0.84 1.11 -0.66 2.33 3.64 -1.99 -1.20 116.57 120.64 2gsf h LYS 662 Ca 0.22 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2gsf h LYS 662 Cb -0.07 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 2gsf h LYS 662 CO -0.05 0.96 0.34 1.96 -2.27 0.00 0.00 179.45 180.39 2gsf h GLN 663 N 1.05 0.94 -0.32 1.90 4.20 -1.70 0.05 115.11 121.23 2gsf h GLN 663 Ca 0.23 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2gsf h GLN 663 Cb 0.32 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2gsf h GLN 663 CO -0.00 0.73 0.17 -0.09 -0.67 0.00 0.00 178.83 178.97 2gsf h ARG 664 N 0.91 0.45 -0.37 1.46 2.43 -0.93 0.11 114.38 118.43 2gsf h ARG 664 Ca 0.23 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2gsf h ARG 664 Cb 0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2gsf h ARG 664 CO -0.03 0.39 0.20 0.00 -1.51 0.00 0.00 179.97 179.02 2gsf h ARG 665 N 0.39 0.52 -0.64 0.20 3.08 -1.05 -0.95 114.38 115.93 2gsf h ARG 665 Ca 0.11 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2gsf h ARG 665 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2gsf h ARG 665 CO -0.02 0.43 0.08 -0.44 -1.07 0.00 0.00 179.97 178.95 2gsf h ASP 666 N 0.47 1.04 0.34 7.04 3.32 -0.77 0.47 116.42 128.33 2gsf h ASP 666 Ca 0.13 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2gsf h ASP 666 Cb 0.06 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2gsf h ASP 666 CO -0.02 1.05 -0.16 0.15 -1.72 0.00 0.00 179.24 178.54 2gsf h PHE 667 N 0.99 -0.42 0.00 4.55 3.57 -0.58 -2.98 116.94 122.07 2gsf h PHE 667 Ca 0.19 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2gsf h PHE 667 Cb 0.47 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2gsf h PHE 667 CO 0.03 -0.19 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.48 2gsf h LEU 668 N -0.56 0.00 -1.04 0.59 3.38 -1.19 -3.02 115.31 113.47 2gsf h LEU 668 Ca -0.05 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.06 2gsf h LEU 668 Cb 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2gsf h LEU 668 CO 0.08 0.37 0.62 1.23 0.09 0.00 0.00 178.44 180.83 2gsf h GLY 669 N 2.25 1.62 0.94 0.83 0.00 -0.74 -0.72 103.07 107.25 2gsf h GLY 669 Ca -0.00 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 46.94 2gsf h GLY 669 CO 0.05 0.13 0.62 -2.09 0.00 0.00 0.00 176.54 175.24 2gsf h GLU 670 N 0.94 1.19 -0.33 4.80 4.81 -1.48 -1.94 114.58 122.56 2gsf h GLU 670 Ca 0.50 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.56 2gsf h GLU 670 Cb 0.57 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2gsf h GLU 670 CO -0.27 0.79 -0.23 0.00 -0.73 0.00 0.00 179.01 178.56 2gsf h ALA 671 N 1.37 0.98 0.00 2.92 0.00 -1.30 -0.23 119.26 122.99 2gsf h ALA 671 Ca 0.36 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2gsf h ALA 671 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2gsf h ALA 671 CO -0.10 0.60 -0.24 0.66 0.00 0.00 0.00 179.25 180.17 2gsf h SER 672 N 0.56 0.00 0.01 0.00 4.64 -0.77 0.02 113.55 118.01 2gsf h SER 672 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2gsf h SER 672 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2gsf h SER 672 CO 0.05 0.24 -0.01 0.40 -0.87 0.00 0.00 176.83 176.65 2gsf h ILE 673 N 0.00 0.95 -0.95 0.95 2.04 -0.97 -3.36 117.51 116.18 2gsf h ILE 673 Ca -0.00 -1.67 0.13 0.00 1.00 0.00 0.00 64.86 64.32 2gsf h ILE 673 Cb 0.53 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 2gsf h ILE 673 CO 0.03 0.32 0.60 -0.03 0.00 0.00 0.00 178.15 179.07 2gsf h MET 674 N -0.99 0.83 0.00 2.37 4.05 -0.97 -1.25 114.93 118.98 2gsf h MET 674 Ca -0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2gsf h MET 674 Cb 0.53 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2gsf h MET 674 CO 0.00 0.55 0.00 0.41 0.23 0.00 0.00 176.91 178.11 2gsf n GLY 675 N -1.39 -1.18 0.11 1.39 0.00 -0.01 -1.57 105.19 102.54 2gsf n GLY 675 Ca 0.18 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.45 2gsf n GLY 675 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gsf n GLN 676 N -2.28 0.22 -4.62 1.61 6.02 -0.47 -4.81 117.38 113.05 2gsf n GLN 676 Ca 0.01 0.29 -0.34 0.00 -0.01 0.00 0.00 57.00 56.95 2gsf n GLN 676 Cb 0.18 -1.82 -0.11 0.00 1.02 0.00 0.00 30.24 29.51 2gsf n GLN 676 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsf s PHE 677 N -3.18 2.93 -0.33 1.08 0.08 -0.61 -5.01 117.98 112.95 2gsf s PHE 677 Ca 0.08 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 2gsf s PHE 677 Cb 0.11 -1.74 0.12 0.00 -0.57 0.00 0.00 43.02 40.95 2gsf s PHE 677 CO 0.51 0.27 0.17 0.34 -0.10 0.00 0.00 175.22 176.42 2gsf s ASP 678 N -0.65 3.32 -0.14 1.36 2.15 -1.26 -4.82 116.67 116.63 2gsf s ASP 678 Ca 0.10 -1.84 -0.19 0.00 0.43 0.00 0.00 52.55 51.05 2gsf s ASP 678 Cb -0.11 -0.46 0.05 0.00 -0.30 0.00 0.00 42.92 42.09 2gsf s ASP 678 CO 0.02 -0.36 0.49 -2.28 -0.17 0.00 0.00 175.17 172.86 2gsf s HIS 679 N 1.45 -0.49 0.09 -5.34 2.46 -1.26 -5.05 115.29 107.14 2gsf s HIS 679 Ca 0.14 1.10 0.32 0.00 0.47 0.00 0.00 55.06 57.10 2gsf s HIS 679 Cb -0.20 0.20 1.58 0.00 -0.13 0.00 0.00 32.58 34.03 2gsf s HIS 679 CO -0.15 -0.33 1.97 -1.00 -2.47 0.00 0.00 174.74 172.76 2gsf h PRO 680 N 4.76 0.00 -0.37 2.88 0.13 -1.99 -2.21 132.00 135.19 2gsf h PRO 680 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2gsf h PRO 680 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2gsf h PRO 680 CO 0.26 0.00 0.03 0.09 -0.23 0.00 0.00 178.00 178.15 2gsf n ASN 681 N -2.71 4.05 -4.13 1.44 4.13 -1.26 -4.89 115.26 111.89 2gsf n ASN 681 Ca -0.01 -3.14 -0.27 0.00 1.68 0.00 0.00 54.58 52.85 2gsf n ASN 681 Cb 0.15 -0.60 -0.16 0.00 -1.54 0.00 0.00 39.78 37.62 2gsf n ASN 681 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2gsf s ILE 682 N -2.90 1.47 0.17 2.41 1.01 -0.83 -0.74 121.20 121.78 2gsf s ILE 682 Ca 0.46 -0.72 -0.33 0.00 0.00 0.00 0.00 60.65 60.05 2gsf s ILE 682 Cb 0.37 -1.27 -0.13 0.00 0.01 0.00 0.00 42.46 41.44 2gsf s ILE 682 CO 0.09 0.42 1.62 -0.38 0.00 0.00 0.00 174.94 176.69 2gsf n ILE 683 N 3.27 0.01 -2.74 2.92 2.08 -0.48 -4.59 119.36 119.83 2gsf n ILE 683 Ca -0.19 -0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.70 2gsf n ILE 683 Cb 0.53 -1.65 -0.04 0.00 -0.75 0.00 0.00 39.64 37.73 2gsf n ILE 683 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2gsf s ARG 684 N 1.04 4.60 -0.29 0.38 3.52 -1.26 -4.94 118.95 122.00 2gsf s ARG 684 Ca 0.78 1.39 -0.23 0.00 -0.13 0.00 0.00 55.73 57.55 2gsf s ARG 684 Cb -0.64 -3.43 -0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2gsf s ARG 684 CO 0.37 0.06 0.76 -1.17 -0.81 0.00 0.00 175.30 174.50 2gsf s LEU 685 N 0.61 4.09 0.13 -0.88 2.96 -1.26 -1.19 118.68 123.14 2gsf s LEU 685 Ca 0.49 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 2gsf s LEU 685 Cb -0.22 -3.03 -0.11 0.00 0.50 0.00 0.00 46.19 43.33 2gsf s LEU 685 CO 0.28 -0.56 1.29 -0.33 -1.32 0.00 0.00 176.35 175.71 2gsf h GLU 686 N 8.06 0.28 0.00 1.98 4.39 -0.84 -3.48 114.58 124.97 2gsf h GLU 686 Ca -0.25 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2gsf h GLU 686 Cb 1.10 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2gsf h GLU 686 CO 0.86 1.07 0.00 0.41 -1.16 0.00 0.00 179.01 180.19 2gsf n GLY 687 N 1.07 -2.03 3.29 -3.84 0.00 -0.94 -4.60 105.19 98.13 2gsf n GLY 687 Ca -0.06 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 2gsf n GLY 687 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gsf s VAL 688 N -2.57 1.46 -0.22 1.61 -7.23 0.16 -0.68 120.40 112.93 2gsf s VAL 688 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2gsf s VAL 688 Cb 0.00 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2gsf s VAL 688 CO 0.00 -0.57 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.40 2gsf s VAL 689 N -2.78 2.44 0.00 1.32 1.01 -0.35 -0.15 120.40 121.89 2gsf s VAL 689 Ca 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2gsf s VAL 689 Cb -0.01 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2gsf s VAL 689 CO 0.04 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.77 2gsf n THR 690 N 4.60 0.00 1.88 3.92 -2.24 -1.26 -1.27 114.28 119.91 2gsf n THR 690 Ca -0.18 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 2gsf n THR 690 Cb 0.47 0.29 0.87 0.00 -2.10 0.00 0.00 70.33 69.86 2gsf n THR 690 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gsf n LYS 691 N -1.42 1.03 -3.96 -0.78 5.02 -1.26 -4.74 118.16 112.05 2gsf n LYS 691 Ca 0.00 -0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 2gsf n LYS 691 Cb 0.06 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 2gsf n LYS 691 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2gsf s SER 692 N -2.06 0.21 0.05 4.39 1.04 -1.26 -5.17 113.70 110.90 2gsf s SER 692 Ca 0.45 -0.83 0.09 0.00 0.48 0.00 0.00 55.95 56.13 2gsf s SER 692 Cb 0.22 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2gsf s SER 692 CO 0.38 -0.73 -0.25 -0.54 0.98 0.00 0.00 173.24 173.08 2gsf s LYS 693 N -3.91 1.69 0.47 4.02 1.02 -1.26 -3.83 119.74 117.94 2gsf s LYS 693 Ca 0.10 -1.07 -0.23 0.00 0.02 0.00 0.00 55.97 54.78 2gsf s LYS 693 Cb 0.06 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.44 2gsf s LYS 693 CO -0.07 0.48 1.24 -2.14 -0.92 0.00 0.00 175.35 173.93 2gsf s PRO 694 N -1.24 3.63 0.37 -1.68 0.02 -1.26 -5.13 135.00 129.71 2gsf s PRO 694 Ca 0.11 1.96 -0.27 0.00 0.02 0.00 0.00 61.00 62.82 2gsf s PRO 694 Cb -0.10 -2.43 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 2gsf s PRO 694 CO 0.02 -0.71 1.26 0.08 -0.33 0.00 0.00 177.00 177.32 2gsf s VAL 695 N -1.43 2.84 0.05 3.83 1.01 -1.25 -4.87 120.40 120.58 2gsf s VAL 695 Ca 0.64 0.78 0.03 0.00 0.00 0.00 0.00 61.98 63.44 2gsf s VAL 695 Cb -0.33 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2gsf s VAL 695 CO 0.41 0.14 -0.10 -0.04 0.00 0.00 0.00 175.10 175.50 2gsf s MET 696 N -2.05 0.66 -0.11 2.72 -1.94 -0.39 -1.26 119.30 116.92 2gsf s MET 696 Ca 0.53 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 2gsf s MET 696 Cb -0.36 -0.54 0.00 0.00 2.01 0.00 0.00 34.83 35.94 2gsf s MET 696 CO 0.47 0.12 -0.22 0.42 -0.01 0.00 0.00 175.02 175.79 2gsf s ILE 697 N -1.19 2.17 -0.16 2.53 1.01 -0.07 -1.21 121.20 124.28 2gsf s ILE 697 Ca -0.05 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.63 2gsf s ILE 697 Cb -0.09 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.54 2gsf s ILE 697 CO 0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.64 2gsf s VAL 698 N 0.43 2.44 0.28 2.92 1.01 0.15 -1.30 120.40 126.33 2gsf s VAL 698 Ca -0.16 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2gsf s VAL 698 Cb -0.17 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2gsf s VAL 698 CO 0.07 0.52 0.05 0.42 0.00 0.00 0.00 175.10 176.16 2gsf s THR 699 N 0.98 0.96 0.45 3.92 -4.23 -0.21 -0.12 115.64 117.39 2gsf s THR 699 Ca -0.02 -2.01 -0.24 0.00 -1.18 0.00 0.00 61.69 58.23 2gsf s THR 699 Cb -0.15 -2.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 2gsf s THR 699 CO -0.04 -0.08 1.29 -1.83 -0.54 0.00 0.00 174.62 173.43 2gsf s GLU 700 N -3.93 3.74 0.22 3.99 -1.05 -0.34 -0.73 118.70 120.61 2gsf s GLU 700 Ca 0.35 2.11 -0.30 0.00 -0.15 0.00 0.00 54.97 56.98 2gsf s GLU 700 Cb 0.08 -2.57 -0.09 0.00 -0.44 0.00 0.00 34.13 31.11 2gsf s GLU 700 CO 0.13 -0.67 0.97 -0.47 0.95 0.00 0.00 175.26 176.17 2gsf s TYR 701 N -1.33 3.90 -0.32 4.83 5.04 -1.24 -4.18 117.35 124.06 2gsf s TYR 701 Ca 0.62 1.86 -0.01 0.00 -2.44 0.00 0.00 57.07 57.10 2gsf s TYR 701 Cb -0.37 -3.04 0.10 0.00 0.35 0.00 0.00 41.96 39.01 2gsf s TYR 701 CO 0.46 0.26 0.11 -1.64 -1.34 0.00 0.00 175.55 173.40 2gsf s MET 702 N -1.00 0.76 0.41 4.97 -1.94 -1.26 -4.93 119.30 116.31 2gsf s MET 702 Ca 0.43 -1.16 0.10 0.00 -1.71 0.00 0.00 55.69 53.35 2gsf s MET 702 Cb -0.26 -2.01 0.91 0.00 2.01 0.00 0.00 34.83 35.48 2gsf s MET 702 CO 0.33 -1.00 2.00 1.49 -0.01 0.00 0.00 175.02 177.83 2gsf h GLU 703 N 7.96 0.51 -0.27 2.03 4.81 -1.85 -2.37 114.58 125.40 2gsf h GLU 703 Ca -0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2gsf h GLU 703 Cb 1.01 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2gsf h GLU 703 CO 0.47 0.34 0.00 0.09 -0.73 0.00 0.00 179.01 179.18 2gsf n ASN 704 N -4.47 2.66 0.00 1.04 5.03 -0.65 -4.96 115.26 113.91 2gsf n ASN 704 Ca 0.08 -1.87 0.00 0.00 0.87 0.00 0.00 54.58 53.65 2gsf n ASN 704 Cb 0.23 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 2gsf n ASN 704 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gsf n GLY 705 N 1.34 0.29 3.77 7.41 0.00 -0.89 -4.58 105.19 112.52 2gsf n GLY 705 Ca 0.18 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 2gsf n GLY 705 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsf s SER 706 N -4.00 6.91 0.24 1.61 0.01 -1.26 -0.89 113.70 116.32 2gsf s SER 706 Ca 0.00 2.41 -0.04 0.00 1.31 0.00 0.00 55.95 59.63 2gsf s SER 706 Cb 0.00 -2.63 0.26 0.00 0.21 0.00 0.00 66.02 63.86 2gsf s SER 706 CO 0.00 -0.41 1.71 0.25 0.41 0.00 0.00 173.24 175.20 2gsf h LEU 707 N 3.34 0.82 -0.22 2.44 5.85 -0.85 -1.60 115.31 125.09 2gsf h LEU 707 Ca -0.48 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 57.98 2gsf h LEU 707 Cb 1.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2gsf h LEU 707 CO 0.65 0.91 -0.01 -2.24 -0.34 0.00 0.00 178.44 177.41 2gsf h ASP 708 N 0.77 0.39 -0.24 1.25 2.03 -1.82 -0.88 116.42 117.93 2gsf h ASP 708 Ca 0.14 -0.32 -0.11 0.00 -0.73 0.00 0.00 57.03 56.02 2gsf h ASP 708 Cb 0.52 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.90 2gsf h ASP 708 CO 0.03 0.61 -0.21 0.77 -1.03 0.00 0.00 179.24 179.41 2gsf h SER 709 N 0.16 0.71 -0.09 4.15 4.64 -1.88 -1.66 113.55 119.58 2gsf h SER 709 Ca 0.06 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2gsf h SER 709 Cb 0.42 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2gsf h SER 709 CO 0.01 0.91 0.06 0.15 -0.87 0.00 0.00 176.83 177.10 2gsf h PHE 710 N 0.62 0.12 -0.22 4.77 3.57 -1.14 -2.86 116.94 121.79 2gsf h PHE 710 Ca 0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2gsf h PHE 710 Cb 0.70 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2gsf h PHE 710 CO 0.03 0.08 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.92 2gsf h LEU 711 N 0.12 0.39 -1.90 0.59 3.38 -1.02 -2.17 115.31 114.69 2gsf h LEU 711 Ca 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2gsf h LEU 711 Cb -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2gsf h LEU 711 CO -0.01 0.61 -0.09 0.03 0.09 0.00 0.00 178.44 179.07 2gsf h ARG 712 N 0.36 0.00 0.00 1.13 3.08 -1.18 -1.17 114.38 116.60 2gsf h ARG 712 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2gsf h ARG 712 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2gsf h ARG 712 CO 0.04 0.09 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 2gsf n LYS 713 N -4.24 0.15 -2.52 0.04 5.02 -0.82 -3.99 118.16 111.79 2gsf n LYS 713 Ca -0.03 0.21 -0.10 0.00 -2.02 0.00 0.00 58.31 56.38 2gsf n LYS 713 Cb 0.17 -1.70 0.04 0.00 -0.02 0.00 0.00 35.03 33.52 2gsf n LYS 713 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2gsf n HIS 714 N -1.96 1.86 -1.67 2.13 8.25 -0.46 -5.08 115.22 118.29 2gsf n HIS 714 Ca 0.05 -2.21 -0.50 0.00 -0.26 0.00 0.00 57.72 54.79 2gsf n HIS 714 Cb 0.33 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 2gsf n HIS 714 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2gsf n ASP 715 N -0.62 2.89 -1.44 0.41 2.03 -1.12 -1.27 116.55 117.42 2gsf n ASP 715 Ca 0.22 1.04 -0.17 0.00 0.52 0.00 0.00 54.79 56.39 2gsf n ASP 715 Cb 0.86 -1.31 -0.06 0.00 -0.72 0.00 0.00 41.12 39.88 2gsf n ASP 715 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gsf n ALA 716 N 4.98 -0.31 0.89 -1.67 0.00 -1.26 -4.88 120.51 118.27 2gsf n ALA 716 Ca 0.21 0.26 0.10 0.00 0.00 0.00 0.00 53.44 54.01 2gsf n ALA 716 Cb 0.25 -1.82 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 2gsf n ALA 716 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2gsf n GLN 717 N -2.52 1.21 -4.18 0.00 6.02 -0.40 -4.96 117.38 112.55 2gsf n GLN 717 Ca -0.18 -0.68 -0.23 0.00 -0.01 0.00 0.00 57.00 55.90 2gsf n GLN 717 Cb 0.59 -1.40 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 2gsf n GLN 717 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsf s PHE 718 N -2.41 2.96 0.62 1.08 0.08 -1.26 -5.12 117.98 113.93 2gsf s PHE 718 Ca 0.14 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.93 2gsf s PHE 718 Cb 0.16 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 2gsf s PHE 718 CO 0.58 0.55 1.03 0.95 -0.10 0.00 0.00 175.22 178.24 2gsf s THR 719 N -2.12 4.51 0.30 0.64 -4.23 -1.26 -4.93 115.64 108.54 2gsf s THR 719 Ca 0.32 0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 61.69 2gsf s THR 719 Cb -0.08 -3.73 0.26 0.00 1.34 0.00 0.00 72.50 70.30 2gsf s THR 719 CO 0.23 -1.00 1.96 0.58 -0.54 0.00 0.00 174.62 175.85 2gsf h VAL 720 N -0.20 1.19 -0.69 2.29 2.07 -1.99 -1.94 116.25 116.98 2gsf h VAL 720 Ca -0.44 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2gsf h VAL 720 Cb 1.19 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2gsf h VAL 720 CO 0.61 0.20 0.36 0.40 0.02 0.00 0.00 177.57 179.16 2gsf h ILE 721 N 1.12 1.21 -0.38 4.57 1.08 -1.98 -0.32 117.51 122.81 2gsf h ILE 721 Ca 0.32 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2gsf h ILE 721 Cb -0.08 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 33.95 2gsf h ILE 721 CO -0.08 0.25 0.20 1.56 -0.69 0.00 0.00 178.15 179.38 2gsf h GLN 722 N 0.97 0.54 -0.63 2.37 4.20 -1.75 -0.50 115.11 120.31 2gsf h GLN 722 Ca 0.24 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2gsf h GLN 722 Cb 0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2gsf h GLN 722 CO -0.04 0.46 0.41 -0.07 -0.67 0.00 0.00 178.83 178.93 2gsf h LEU 723 N 0.48 0.70 -1.08 1.46 3.38 -1.05 -2.05 115.31 117.15 2gsf h LEU 723 Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2gsf h LEU 723 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2gsf h LEU 723 CO -0.02 0.50 -0.01 0.58 0.09 0.00 0.00 178.44 179.58 2gsf h VAL 724 N 0.83 1.22 -0.69 1.22 2.07 -0.79 -1.39 116.25 118.72 2gsf h VAL 724 Ca 0.24 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2gsf h VAL 724 Cb -0.06 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2gsf h VAL 724 CO -0.07 0.31 0.38 1.23 0.02 0.00 0.00 177.57 179.44 2gsf h GLY 725 N 0.91 1.02 0.92 2.17 0.00 -0.70 0.10 103.07 107.51 2gsf h GLY 725 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.00 2gsf h GLY 725 CO 0.02 0.45 0.10 -0.33 0.00 0.00 0.00 176.54 176.77 2gsf h MET 726 N 0.94 0.20 -0.80 4.80 2.07 -0.86 -2.18 114.93 119.10 2gsf h MET 726 Ca 0.24 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.83 2gsf h MET 726 Cb 0.04 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.69 2gsf h MET 726 CO -0.04 0.14 0.37 -0.07 1.07 0.00 0.00 176.91 178.37 2gsf h LEU 727 N 0.21 1.06 -0.62 1.22 3.38 -0.90 -2.04 115.31 117.62 2gsf h LEU 727 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2gsf h LEU 727 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2gsf h LEU 727 CO -0.05 0.90 0.26 -0.09 0.09 0.00 0.00 178.44 179.55 2gsf h ARG 728 N 1.15 0.92 -0.21 1.13 1.12 -0.67 -0.83 114.38 116.98 2gsf h ARG 728 Ca 0.27 -0.16 0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2gsf h ARG 728 Cb 0.14 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 2gsf h ARG 728 CO -0.03 0.77 0.13 0.78 -3.11 0.00 0.00 179.97 178.51 2gsf h GLY 729 N 0.86 0.29 0.97 2.80 0.00 -0.95 -0.28 103.07 106.77 2gsf h GLY 729 Ca 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2gsf h GLY 729 CO -0.02 0.09 0.19 -2.22 0.00 0.00 0.00 176.54 174.58 2gsf h ILE 730 N 0.26 1.06 -0.57 2.60 2.04 -1.18 -0.93 117.51 120.79 2gsf h ILE 730 Ca 0.08 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2gsf h ILE 730 Cb -0.01 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2gsf h ILE 730 CO -0.03 0.07 0.29 0.00 0.00 0.00 0.00 178.15 178.47 2gsf h ALA 731 N 1.12 1.44 -0.27 1.87 0.00 -0.88 -0.82 119.26 121.71 2gsf h ALA 731 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2gsf h ALA 731 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2gsf h ALA 731 CO -0.04 0.45 -0.06 1.03 0.00 0.00 0.00 179.25 180.64 2gsf h SER 732 N 0.80 0.52 -0.42 0.00 0.87 -0.41 0.11 113.55 115.01 2gsf h SER 732 Ca 0.20 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2gsf h SER 732 Cb 0.06 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2gsf h SER 732 CO -0.03 0.76 0.23 1.23 -0.53 0.00 0.00 176.83 178.49 2gsf h GLY 733 N 0.27 0.58 1.58 5.77 0.00 -0.90 -2.34 103.07 108.03 2gsf h GLY 733 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2gsf h GLY 733 CO 0.02 0.14 -0.01 -0.33 0.00 0.00 0.00 176.54 176.36 2gsf h MET 734 N 0.47 0.52 -0.82 4.80 2.86 -0.85 -1.38 114.93 120.53 2gsf h MET 734 Ca 0.17 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2gsf h MET 734 Cb 0.03 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 2gsf h MET 734 CO -0.09 0.56 0.50 -0.22 1.06 0.00 0.00 176.91 178.72 2gsf h LYS 735 N 0.50 1.12 -0.26 1.72 3.11 -0.46 -0.10 116.57 122.19 2gsf h LYS 735 Ca 0.11 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2gsf h LYS 735 Cb 0.35 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 2gsf h LYS 735 CO 0.01 0.79 -0.00 -0.92 -2.81 0.00 0.00 179.45 176.52 2gsf h TYR 736 N 1.13 0.51 -0.56 1.91 3.20 -0.89 0.08 116.97 122.36 2gsf h TYR 736 Ca 0.30 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 2gsf h TYR 736 Cb -0.04 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2gsf h TYR 736 CO -0.00 0.63 0.28 -0.07 -1.64 0.00 0.00 178.16 177.36 2gsf h LEU 737 N 0.25 0.72 -0.81 2.82 3.38 -1.00 -0.71 115.31 119.96 2gsf h LEU 737 Ca 0.07 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2gsf h LEU 737 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2gsf h LEU 737 CO 0.01 0.63 -0.14 0.77 0.09 0.00 0.00 178.44 179.81 2gsf h SER 738 N 0.76 0.73 -0.37 -0.43 4.64 -0.97 -1.46 113.55 116.45 2gsf h SER 738 Ca 0.19 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2gsf h SER 738 Cb 0.09 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2gsf h SER 738 CO -0.03 0.89 0.25 0.44 -0.87 0.00 0.00 176.83 177.51 2gsf h ASP 739 N 0.66 0.40 0.22 4.97 5.19 -0.26 -1.29 116.42 126.31 2gsf h ASP 739 Ca 0.11 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2gsf h ASP 739 Cb 0.61 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2gsf h ASP 739 CO 0.04 0.29 -0.04 0.23 -3.12 0.00 0.00 179.24 176.64 2gsf n MET 740 N -4.48 0.89 -0.93 3.56 2.81 -0.34 -4.67 117.12 113.96 2gsf n MET 740 Ca 0.03 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 2gsf n MET 740 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2gsf n MET 740 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gsf n GLY 741 N 1.17 0.46 3.72 3.03 0.00 -0.49 0.14 105.19 113.22 2gsf n GLY 741 Ca 0.18 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2gsf n GLY 741 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gsf s TYR 742 N -2.00 3.46 -0.23 1.61 5.04 -0.63 -4.29 117.35 120.32 2gsf s TYR 742 Ca 0.00 0.68 -0.08 0.00 -2.44 0.00 0.00 57.07 55.24 2gsf s TYR 742 Cb 0.00 -2.43 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 2gsf s TYR 742 CO 0.00 0.18 0.08 0.08 -1.34 0.00 0.00 175.55 174.55 2gsf s VAL 743 N 0.63 4.56 -0.04 3.14 1.01 -0.44 -3.91 120.40 125.35 2gsf s VAL 743 Ca 0.20 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 2gsf s VAL 743 Cb -0.14 -3.11 -0.21 0.00 0.00 0.00 0.00 36.38 32.92 2gsf s VAL 743 CO 0.06 0.37 1.19 -0.74 0.00 0.00 0.00 175.10 175.98 2gsf h HIS 744 N 7.77 -0.01 0.00 5.22 2.76 -1.92 -2.68 115.15 126.29 2gsf h HIS 744 Ca -0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2gsf h HIS 744 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2gsf h HIS 744 CO 0.65 0.54 0.00 0.54 -1.30 0.00 0.00 177.93 178.36 2gsf n ARG 745 N -4.83 0.00 -2.38 5.26 1.74 -1.26 -3.15 116.66 112.05 2gsf n ARG 745 Ca -0.09 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 2gsf n ARG 745 Cb 0.28 -1.86 0.05 0.00 -1.02 0.00 0.00 32.46 29.90 2gsf n ARG 745 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gsf n ASP 746 N 0.00 1.99 -4.64 0.55 2.03 -1.26 -4.83 116.55 110.38 2gsf n ASP 746 Ca 0.00 -2.36 -0.43 0.00 0.52 0.00 0.00 54.79 52.52 2gsf n ASP 746 Cb 0.00 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 2gsf n ASP 746 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2gsf s LEU 747 N -3.07 4.03 0.08 -2.67 2.96 -1.26 -4.77 118.68 113.97 2gsf s LEU 747 Ca 0.32 1.48 -0.25 0.00 -0.22 0.00 0.00 54.13 55.46 2gsf s LEU 747 Cb 0.35 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.56 2gsf s LEU 747 CO -0.05 -0.94 0.59 0.00 -1.32 0.00 0.00 176.35 174.64 2gsf s ALA 748 N 4.00 -1.55 0.46 5.97 0.00 -1.26 -4.73 121.76 124.65 2gsf s ALA 748 Ca 0.57 0.71 0.12 0.00 0.00 0.00 0.00 51.96 53.36 2gsf s ALA 748 Cb -0.20 0.53 1.07 0.00 0.00 0.00 0.00 23.12 24.52 2gsf s ALA 748 CO 0.19 -0.60 2.08 0.00 0.00 0.00 0.00 175.76 177.44 2gsf h ALA 749 N 2.46 1.89 0.00 0.00 0.00 -1.92 0.41 119.26 122.11 2gsf h ALA 749 Ca -0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gsf h ALA 749 Cb 1.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2gsf h ALA 749 CO 0.39 0.07 -0.01 0.07 0.00 0.00 0.00 179.25 179.78 2gsf h ARG 750 N 0.29 0.00 -0.69 0.00 0.11 -1.95 -1.99 114.38 110.16 2gsf h ARG 750 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2gsf h ARG 750 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2gsf h ARG 750 CO -0.02 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.15 2gsf n ASN 751 N -3.14 4.30 -4.57 0.08 3.02 0.13 -4.73 115.26 110.35 2gsf n ASN 751 Ca -0.02 -2.20 -0.34 0.00 -0.03 0.00 0.00 54.58 52.00 2gsf n ASN 751 Cb 0.18 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 2gsf n ASN 751 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gsf s ILE 752 N -1.37 3.85 0.18 2.41 -1.09 -0.75 -0.88 121.20 123.55 2gsf s ILE 752 Ca 0.50 -0.40 0.08 0.00 -2.23 0.00 0.00 60.65 58.59 2gsf s ILE 752 Cb 0.29 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2gsf s ILE 752 CO 0.29 0.56 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.80 2gsf s LEU 753 N -0.40 3.28 -0.03 2.97 1.43 -0.44 -0.68 118.68 124.81 2gsf s LEU 753 Ca 0.06 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2gsf s LEU 753 Cb -0.12 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2gsf s LEU 753 CO 0.02 0.08 -0.07 -0.51 0.23 0.00 0.00 176.35 176.11 2gsf s ILE 754 N -1.77 0.61 0.32 -0.59 2.07 -0.07 -1.12 121.20 120.66 2gsf s ILE 754 Ca 0.27 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 2gsf s ILE 754 Cb -0.09 -0.57 0.06 0.00 0.13 0.00 0.00 42.46 41.99 2gsf s ILE 754 CO 0.18 0.21 0.44 -0.46 -1.91 0.00 0.00 174.94 173.41 2gsf n ASN 755 N 3.48 0.79 0.30 4.50 0.23 -0.58 -1.63 115.26 122.35 2gsf n ASN 755 Ca -0.20 -1.62 0.16 0.00 -0.53 0.00 0.00 54.58 52.39 2gsf n ASN 755 Cb 0.54 -0.27 0.94 0.00 -2.08 0.00 0.00 39.78 38.91 2gsf n ASN 755 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2gsf h SER 756 N -0.16 0.00 -0.65 0.53 4.64 -1.91 -1.49 113.55 114.50 2gsf h SER 756 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2gsf h SER 756 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2gsf h SER 756 CO 0.18 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.73 2gsf n ASN 757 N -3.77 4.44 -0.44 4.97 5.03 -1.26 -4.93 115.26 119.31 2gsf n ASN 757 Ca -0.03 -2.31 -0.06 0.00 0.87 0.00 0.00 54.58 53.06 2gsf n ASN 757 Cb 0.10 -0.54 -0.02 0.00 -1.02 0.00 0.00 39.78 38.30 2gsf n ASN 757 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2gsf n LEU 758 N 1.22 -0.31 -4.71 3.41 4.77 -0.56 -5.00 117.00 115.81 2gsf n LEU 758 Ca 0.25 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 2gsf n LEU 758 Cb 0.79 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 2gsf n LEU 758 CO 0.21 -0.40 0.74 -0.69 -1.33 0.00 0.00 177.39 175.91 2gsf s VAL 759 N -2.11 4.65 -0.10 4.08 1.01 -1.26 -4.67 120.40 122.00 2gsf s VAL 759 Ca 0.00 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 63.83 2gsf s VAL 759 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2gsf s VAL 759 CO 0.00 0.14 0.11 0.00 0.00 0.00 0.00 175.10 175.35 2gsf s LYS 761 N -1.07 0.06 0.19 0.00 1.02 -0.28 -4.30 119.74 115.36 2gsf s LYS 761 Ca 0.15 0.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 2gsf s LYS 761 Cb -0.12 0.02 -0.08 0.00 -0.52 0.00 0.00 37.83 37.13 2gsf s LYS 761 CO 0.05 -0.02 1.13 0.08 -0.92 0.00 0.00 175.35 175.66 2gsf s VAL 762 N 0.10 3.76 0.11 3.17 1.01 0.08 -1.32 120.40 127.31 2gsf s VAL 762 Ca -0.01 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2gsf s VAL 762 Cb -0.01 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2gsf s VAL 762 CO -0.00 0.26 0.04 -0.24 0.00 0.00 0.00 175.10 175.16 2gsf n SER 763 N 2.34 0.90 -2.90 3.32 2.88 -0.05 -1.39 113.62 118.72 2gsf n SER 763 Ca 0.03 -1.60 -0.05 0.00 -1.33 0.00 0.00 58.87 55.92 2gsf n SER 763 Cb 0.46 0.30 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 2gsf n SER 763 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gsf n ASP 764 N -1.98 -7.82 -0.92 -3.46 4.64 -1.26 -4.84 116.55 100.90 2gsf n ASP 764 Ca -0.01 0.32 0.04 0.00 -1.38 0.00 0.00 54.79 53.76 2gsf n ASP 764 Cb 0.17 -5.31 0.16 0.00 -1.04 0.00 0.00 41.12 35.11 2gsf n ASP 764 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2gsf n PHE 765 N -0.80 0.74 0.23 -0.67 3.72 -1.26 -4.40 117.46 115.00 2gsf n PHE 765 Ca 0.08 -0.28 0.09 0.00 -0.05 0.00 0.00 57.45 57.29 2gsf n PHE 765 Cb 0.47 -0.18 0.53 0.00 -0.94 0.00 0.00 39.48 39.35 2gsf n PHE 765 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2gsf h GLY 766 N 4.84 0.00 -0.76 1.37 0.00 -1.92 -3.31 103.07 103.29 2gsf h GLY 766 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gsf h GLY 766 CO 0.14 0.00 -0.20 1.04 0.00 0.00 0.00 176.54 177.52 2gsf n LEU 767 N -3.63 1.65 0.00 3.11 4.77 -1.26 -5.03 117.00 116.61 2gsf n LEU 767 Ca -0.01 -0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 54.99 2gsf n LEU 767 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2gsf n LEU 767 CO 0.34 0.31 -0.10 -1.54 -1.33 0.00 0.00 177.39 175.07 2gsf n SER 768 N 0.10 2.12 -3.46 -1.43 3.41 -1.19 -4.80 113.62 108.36 2gsf n SER 768 Ca 0.06 -2.05 -0.06 0.00 -0.26 0.00 0.00 58.87 56.56 2gsf n SER 768 Cb 0.30 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2gsf n SER 768 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gsf s ARG 769 N -2.83 1.70 0.00 4.33 1.70 -1.01 -5.01 118.95 117.83 2gsf s ARG 769 Ca 0.03 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 2gsf s ARG 769 Cb 0.00 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 2gsf s ARG 769 CO 0.02 -0.79 0.55 1.33 -1.08 0.00 0.00 175.30 175.34 2gsf n VAL 770 N -0.53 0.55 -1.48 4.99 0.24 -1.26 -1.33 118.33 119.51 2gsf n VAL 770 Ca -0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2gsf n VAL 770 Cb 0.60 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 2gsf n VAL 770 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2gsf n PRO 787 N 1.18 0.00 -0.20 7.34 -0.04 -1.26 -4.91 135.00 137.12 2gsf n PRO 787 Ca 0.00 0.49 0.01 0.00 -0.04 0.00 0.00 63.50 63.96 2gsf n PRO 787 Cb 0.20 -1.18 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 2gsf n PRO 787 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2gsf h ILE 788 N 0.00 0.63 -0.01 0.52 1.08 -1.99 -1.38 117.51 116.35 2gsf h ILE 788 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2gsf h ILE 788 Cb 0.00 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2gsf h ILE 788 CO 0.00 0.05 0.02 0.03 -0.69 0.00 0.00 178.15 177.55 2gsf h ARG 789 N 0.25 0.00 -0.02 2.37 3.08 -1.97 -2.48 114.38 115.61 2gsf h ARG 789 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2gsf h ARG 789 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2gsf h ARG 789 CO -0.41 0.00 -0.21 0.91 -1.07 0.00 0.00 179.97 179.19 2gsf n TRP 790 N -3.95 0.00 -3.90 3.04 8.01 -0.55 -4.99 117.44 115.10 2gsf n TRP 790 Ca -0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.80 2gsf n TRP 790 Cb 0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 2gsf n TRP 790 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2gsf s THR 791 N -1.97 5.46 0.73 -0.99 2.01 -0.93 -3.81 115.64 116.14 2gsf s THR 791 Ca 0.20 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 2gsf s THR 791 Cb 0.16 -3.41 0.04 0.00 0.01 0.00 0.00 72.50 69.31 2gsf s THR 791 CO 0.38 0.56 1.13 -0.94 -0.69 0.00 0.00 174.62 175.07 2gsf s SER 792 N -1.20 4.47 0.26 3.53 1.04 -1.26 -4.78 113.70 115.77 2gsf s SER 792 Ca 0.17 2.07 -0.04 0.00 0.48 0.00 0.00 55.95 58.63 2gsf s SER 792 Cb -0.12 -2.56 0.33 0.00 0.10 0.00 0.00 66.02 63.77 2gsf s SER 792 CO 0.07 -2.06 1.93 -0.65 0.98 0.00 0.00 173.24 173.50 2gsf h PRO 793 N -0.55 1.24 -0.14 4.02 0.11 -1.96 -0.85 132.00 133.86 2gsf h PRO 793 Ca -0.46 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 2gsf h PRO 793 Cb 1.26 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2gsf h PRO 793 CO 0.51 0.82 -0.44 1.05 -0.21 0.00 0.00 178.00 179.72 2gsf h GLU 794 N 1.28 0.34 -0.39 1.05 9.09 -1.91 0.90 114.58 124.93 2gsf h GLU 794 Ca 0.37 -0.17 -0.15 0.00 0.05 0.00 0.00 59.36 59.46 2gsf h GLU 794 Cb -0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 2gsf h GLU 794 CO -0.10 0.72 -0.35 0.00 0.05 0.00 0.00 179.01 179.33 2gsf h ALA 795 N 1.26 0.63 -0.26 1.06 0.00 -1.45 -1.94 119.26 118.56 2gsf h ALA 795 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2gsf h ALA 795 Cb 0.89 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2gsf h ALA 795 CO 0.07 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.94 2gsf h ILE 796 N 0.76 1.15 -0.38 0.00 2.04 -0.99 -0.09 117.51 120.00 2gsf h ILE 796 Ca 0.07 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2gsf h ILE 796 Cb 0.94 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2gsf h ILE 796 CO 0.09 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.47 2gsf h ALA 797 N 0.98 0.50 0.00 1.87 0.00 -0.71 -3.39 119.26 118.51 2gsf h ALA 797 Ca 0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2gsf h ALA 797 Cb 0.13 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 17.60 2gsf h ALA 797 CO -0.01 0.19 -0.50 2.48 0.00 0.00 0.00 179.25 181.41 2gsf n TYR 798 N -4.57 0.00 -2.93 0.00 0.18 -0.75 -5.02 117.16 104.07 2gsf n TYR 798 Ca -0.01 -0.35 -0.20 0.00 1.88 0.00 0.00 57.90 59.23 2gsf n TYR 798 Cb 0.21 0.19 0.03 0.00 -0.38 0.00 0.00 39.34 39.39 2gsf n TYR 798 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2gsf n ARG 799 N 0.15 -4.36 -2.73 -3.48 1.74 -0.05 -4.91 116.66 103.03 2gsf n ARG 799 Ca -0.09 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.36 2gsf n ARG 799 Cb 0.80 -5.42 -0.02 0.00 -1.02 0.00 0.00 32.46 26.80 2gsf n ARG 799 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2gsf s LYS 800 N -5.56 3.65 -0.24 5.56 2.47 -1.11 -4.91 119.74 119.59 2gsf s LYS 800 Ca 0.27 -1.51 -0.11 0.00 -1.56 0.00 0.00 55.97 53.06 2gsf s LYS 800 Cb -0.12 -5.18 -0.05 0.00 -1.46 0.00 0.00 37.83 31.02 2gsf s LYS 800 CO 0.33 -2.02 0.18 -0.06 0.16 0.00 0.00 175.35 173.95 2gsf s PHE 801 N 3.84 3.32 0.26 4.03 0.08 -1.26 -3.51 117.98 124.74 2gsf s PHE 801 Ca 0.41 0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.70 2gsf s PHE 801 Cb -0.02 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 2gsf s PHE 801 CO -0.08 0.06 0.31 0.95 -0.10 0.00 0.00 175.22 176.36 2gsf s THR 802 N 1.07 0.00 0.49 0.64 -4.23 -1.26 -4.99 115.64 107.36 2gsf s THR 802 Ca 0.09 -1.77 0.26 0.00 -1.18 0.00 0.00 61.69 59.08 2gsf s THR 802 Cb -0.14 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.55 2gsf s THR 802 CO 0.05 0.00 2.14 0.28 -0.54 0.00 0.00 174.62 176.55 2gsf h SER 803 N 2.35 0.00 0.52 3.99 0.02 -1.97 -0.48 113.55 117.98 2gsf h SER 803 Ca -0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 2gsf h SER 803 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2gsf h SER 803 CO 0.43 0.07 -0.23 0.00 -1.14 0.00 0.00 176.83 175.96 2gsf h ALA 804 N 1.93 1.23 0.00 3.77 0.00 -1.94 -0.61 119.26 123.63 2gsf h ALA 804 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2gsf h ALA 804 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2gsf h ALA 804 CO 0.01 0.29 -0.70 0.66 0.00 0.00 0.00 179.25 179.51 2gsf h SER 805 N 0.00 0.00 0.04 0.00 4.64 -1.42 -2.15 113.55 114.66 2gsf h SER 805 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2gsf h SER 805 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2gsf h SER 805 CO 0.03 0.70 -0.33 0.44 -0.87 0.00 0.00 176.83 176.80 2gsf h ASP 806 N 0.00 0.43 -0.62 4.97 3.32 -0.94 -2.37 116.42 121.22 2gsf h ASP 806 Ca -0.01 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 2gsf h ASP 806 Cb 1.36 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 2gsf h ASP 806 CO 0.09 0.74 0.24 0.58 -1.72 0.00 0.00 179.24 179.17 2gsf h VAL 807 N 0.36 1.24 -0.29 -1.35 2.07 -0.91 0.24 116.25 117.60 2gsf h VAL 807 Ca 0.04 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.88 2gsf h VAL 807 Cb 0.76 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2gsf h VAL 807 CO 0.06 0.29 -0.11 -0.25 0.02 0.00 0.00 177.57 177.58 2gsf h TRP 808 N 0.87 -0.27 -0.86 1.57 2.91 -1.16 -1.00 115.95 118.01 2gsf h TRP 808 Ca 0.20 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.30 2gsf h TRP 808 Cb 0.22 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.98 2gsf h TRP 808 CO 0.01 -0.18 0.54 0.77 -1.03 0.00 0.00 178.44 178.56 2gsf h SER 809 N -0.06 0.89 -0.85 2.65 0.02 -0.89 -1.18 113.55 114.13 2gsf h SER 809 Ca 0.15 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2gsf h SER 809 Cb 0.29 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 2gsf h SER 809 CO -0.34 0.60 0.53 0.22 -1.14 0.00 0.00 176.83 176.70 2gsf h TYR 810 N 1.03 0.99 -0.97 3.45 3.20 0.22 -0.07 116.97 124.83 2gsf h TYR 810 Ca 0.35 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.35 2gsf h TYR 810 Cb 0.06 -0.32 -0.07 0.00 1.54 0.00 0.00 36.73 37.94 2gsf h TYR 810 CO -0.02 0.53 0.62 0.78 -1.64 0.00 0.00 178.16 178.43 2gsf h GLY 811 N 1.00 1.49 0.88 1.82 0.00 0.01 0.16 103.07 108.43 2gsf h GLY 811 Ca 0.36 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 2gsf h GLY 811 CO -0.15 0.23 0.00 -2.22 0.00 0.00 0.00 176.54 174.40 2gsf h ILE 812 N 1.01 1.26 -0.84 2.60 1.08 -0.62 -1.81 117.51 120.19 2gsf h ILE 812 Ca 0.45 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 2gsf h ILE 812 Cb 0.37 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 2gsf h ILE 812 CO -0.21 0.30 0.55 0.58 -0.69 0.00 0.00 178.15 178.68 2gsf h VAL 813 N 0.32 1.22 -0.51 1.67 2.07 -0.39 0.71 116.25 121.34 2gsf h VAL 813 Ca 0.09 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.27 2gsf h VAL 813 Cb 0.43 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 2gsf h VAL 813 CO 0.01 0.21 0.18 0.25 0.02 0.00 0.00 177.57 178.24 2gsf h LEU 814 N 1.14 0.17 -0.61 2.57 5.85 -0.50 0.14 115.31 124.08 2gsf h LEU 814 Ca 0.31 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 2gsf h LEU 814 Cb -0.12 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2gsf h LEU 814 CO -0.06 0.12 0.31 -0.25 -0.34 0.00 0.00 178.44 178.21 2gsf h TRP 815 N 0.35 0.86 -0.64 1.25 7.01 -0.44 -1.49 115.95 122.85 2gsf h TRP 815 Ca 0.25 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 2gsf h TRP 815 Cb 0.27 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 2gsf h TRP 815 CO -0.17 0.65 0.39 0.93 -2.79 0.00 0.00 178.44 177.45 2gsf h GLU 816 N 0.83 0.86 -0.01 2.65 5.08 -0.02 -0.33 114.58 123.64 2gsf h GLU 816 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2gsf h GLU 816 Cb 0.10 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2gsf h GLU 816 CO -0.03 0.61 0.00 0.28 -1.00 0.00 0.00 179.01 178.87 2gsf h VAL 817 N 0.86 1.19 0.00 3.13 2.07 -0.56 0.15 116.25 123.09 2gsf h VAL 817 Ca 0.23 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2gsf h VAL 817 Cb -0.03 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2gsf h VAL 817 CO -0.04 0.15 0.00 0.24 0.02 0.00 0.00 177.57 177.94 2gsf h MET 818 N -0.23 0.00 -0.64 1.57 2.86 -1.08 -1.42 114.93 115.99 2gsf h MET 818 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2gsf h MET 818 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2gsf h MET 818 CO 0.00 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.40 2gsf n SER 819 N -2.84 3.52 -3.92 1.22 7.64 -0.15 -4.73 113.62 114.37 2gsf n SER 819 Ca 0.00 -1.99 -0.28 0.00 1.01 0.00 0.00 58.87 57.61 2gsf n SER 819 Cb 0.22 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.01 2gsf n SER 819 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2gsf n TYR 820 N 1.44 -1.95 -0.87 1.43 4.01 -0.53 -2.73 117.16 117.94 2gsf n TYR 820 Ca 0.22 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.79 2gsf n TYR 820 Cb 0.56 -3.87 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 2gsf n TYR 820 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gsf n GLY 821 N -1.69 0.49 3.68 2.72 0.00 0.46 -3.06 105.19 107.81 2gsf n GLY 821 Ca -0.13 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 2gsf n GLY 821 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gsf n GLU 822 N -2.87 1.45 -2.46 1.61 2.13 -1.11 -4.86 120.64 114.53 2gsf n GLU 822 Ca 0.00 0.53 -0.42 0.00 0.66 0.00 0.00 57.16 57.93 2gsf n GLU 822 Cb 0.00 -2.35 -0.03 0.00 0.27 0.00 0.00 31.44 29.33 2gsf n GLU 822 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2gsf s ARG 823 N -2.62 4.42 0.15 5.31 3.52 -1.26 -4.77 118.95 123.70 2gsf s ARG 823 Ca 0.70 1.71 -0.34 0.00 -0.13 0.00 0.00 55.73 57.67 2gsf s ARG 823 Cb -0.45 -3.42 -0.13 0.00 -1.56 0.00 0.00 34.95 29.39 2gsf s ARG 823 CO 0.51 -0.29 1.62 -2.30 -0.81 0.00 0.00 175.30 174.03 2gsf n PRO 824 N 4.29 2.23 -1.18 5.12 -0.02 -1.26 -0.87 135.00 143.31 2gsf n PRO 824 Ca 0.09 0.81 -0.06 0.00 -2.02 0.00 0.00 63.50 62.31 2gsf n PRO 824 Cb 0.47 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2gsf n PRO 824 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2gsf n TYR 825 N 3.78 0.00 -0.38 6.00 4.01 -1.26 -4.81 117.16 124.50 2gsf n TYR 825 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2gsf n TYR 825 Cb 0.30 -2.09 0.00 0.00 -0.31 0.00 0.00 39.34 37.24 2gsf n TYR 825 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2gsf n TRP 826 N -2.32 0.00 -1.34 -0.72 8.01 -0.04 -1.57 117.44 119.45 2gsf n TRP 826 Ca -0.06 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.99 2gsf n TRP 826 Cb 0.46 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 29.96 2gsf n TRP 826 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2gsf n GLU 827 N 14.00 2.08 -1.62 -0.99 1.02 -1.26 -4.93 120.64 128.94 2gsf n GLU 827 Ca 0.00 -3.11 -0.43 0.00 -0.02 0.00 0.00 57.16 53.60 2gsf n GLU 827 Cb 0.00 -1.99 -0.00 0.00 -0.02 0.00 0.00 31.44 29.43 2gsf n GLU 827 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2gsf n MET 828 N -1.11 1.50 -1.57 3.49 2.81 -0.61 -4.89 117.12 116.74 2gsf n MET 828 Ca 0.45 0.53 -0.46 0.00 -1.81 0.00 0.00 57.70 56.42 2gsf n MET 828 Cb 1.34 -2.02 -0.02 0.00 -0.71 0.00 0.00 33.22 31.80 2gsf n MET 828 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2gsf n SER 829 N 0.84 1.13 -0.33 7.83 7.64 -1.26 -4.78 113.62 124.69 2gsf n SER 829 Ca 0.08 1.17 0.04 0.00 1.01 0.00 0.00 58.87 61.17 2gsf n SER 829 Cb 0.36 -1.24 0.19 0.00 -1.01 0.00 0.00 64.21 62.51 2gsf n SER 829 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2gsf h ASN 830 N 2.31 0.82 -0.67 6.43 4.21 -2.00 -0.49 115.58 126.20 2gsf h ASN 830 Ca -0.40 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.20 2gsf h ASN 830 Cb 1.35 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.39 2gsf h ASN 830 CO 0.63 0.47 0.44 1.56 -1.29 0.00 0.00 177.43 179.24 2gsf h GLN 831 N 0.93 0.73 0.05 0.81 4.20 -2.00 -1.36 115.11 118.46 2gsf h GLN 831 Ca 0.44 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.87 2gsf h GLN 831 Cb 0.37 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2gsf h GLN 831 CO -0.24 0.48 -1.06 -0.44 -0.67 0.00 0.00 178.83 176.91 2gsf h ASP 832 N 0.75 0.22 -0.52 1.46 3.32 -1.50 -1.81 116.42 118.35 2gsf h ASP 832 Ca 0.27 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2gsf h ASP 832 Cb 0.14 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2gsf h ASP 832 CO -0.08 1.13 0.34 0.58 -1.72 0.00 0.00 179.24 179.49 2gsf h VAL 833 N 0.05 1.13 -0.10 -1.35 2.07 -0.60 0.82 116.25 118.27 2gsf h VAL 833 Ca -0.06 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2gsf h VAL 833 Cb 1.77 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2gsf h VAL 833 CO 0.16 0.13 0.02 0.40 0.02 0.00 0.00 177.57 178.30 2gsf h ILE 834 N 0.70 1.19 -0.37 4.57 2.04 -1.23 -2.31 117.51 122.10 2gsf h ILE 834 Ca 0.19 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 2gsf h ILE 834 Cb -0.08 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2gsf h ILE 834 CO -0.04 0.17 -0.18 0.50 0.00 0.00 0.00 178.15 178.60 2gsf h LYS 835 N -0.04 0.78 -0.26 2.37 1.63 -1.21 -2.06 116.57 117.78 2gsf h LYS 835 Ca 0.03 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 2gsf h LYS 835 Cb 0.25 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 2gsf h LYS 835 CO 0.00 0.96 0.12 0.00 -3.45 0.00 0.00 179.45 177.09 2gsf h ALA 836 N 0.80 0.34 -0.56 5.00 0.00 -0.84 -0.50 119.26 123.50 2gsf h ALA 836 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2gsf h ALA 836 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2gsf h ALA 836 CO 0.06 -0.10 0.20 0.28 0.00 0.00 0.00 179.25 179.68 2gsf h VAL 837 N 0.29 1.23 -0.98 0.00 2.07 -1.41 -1.28 116.25 116.17 2gsf h VAL 837 Ca 0.09 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.92 2gsf h VAL 837 Cb 0.12 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2gsf h VAL 837 CO -0.01 0.29 0.63 -0.78 0.02 0.00 0.00 177.57 177.72 2gsf h ASP 838 N 0.78 1.00 0.54 0.57 3.58 -1.10 -1.64 116.42 120.16 2gsf h ASP 838 Ca 0.18 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2gsf h ASP 838 Cb 0.25 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2gsf h ASP 838 CO -0.01 0.63 0.00 -0.62 -2.88 0.00 0.00 179.24 176.36 2gsf n GLU 839 N -4.50 0.05 0.00 0.28 1.02 -0.22 -4.86 120.64 112.41 2gsf n GLU 839 Ca 0.15 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2gsf n GLU 839 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2gsf n GLU 839 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gsf n GLY 840 N 0.27 0.66 3.77 0.62 0.00 -0.61 -4.96 105.19 104.94 2gsf n GLY 840 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2gsf n GLY 840 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsf s TYR 841 N -2.00 3.11 0.12 1.61 2.02 -0.56 -1.53 117.35 120.12 2gsf s TYR 841 Ca 0.00 1.55 0.03 0.00 -0.37 0.00 0.00 57.07 58.28 2gsf s TYR 841 Cb 0.00 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.11 2gsf s TYR 841 CO 0.00 -1.30 -0.08 1.03 -1.57 0.00 0.00 175.55 173.63 2gsf s ARG 842 N -2.19 0.94 0.36 -0.62 1.81 0.70 -4.11 118.95 115.83 2gsf s ARG 842 Ca 0.55 -1.38 -0.27 0.00 -1.72 0.00 0.00 55.73 52.91 2gsf s ARG 842 Cb -0.31 -0.40 -0.12 0.00 -0.45 0.00 0.00 34.95 33.67 2gsf s ARG 842 CO 0.40 0.03 1.28 1.28 -0.68 0.00 0.00 175.30 177.60 2gsf n LEU 843 N -0.10 3.64 -4.88 2.53 4.77 -1.26 -0.78 117.00 120.93 2gsf n LEU 843 Ca -0.11 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 2gsf n LEU 843 Cb 0.61 -1.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2gsf n LEU 843 CO 0.31 -0.54 0.74 -2.16 -1.33 0.00 0.00 177.39 174.41 2gsf s PRO 844 N -1.96 2.98 0.22 3.23 0.04 -1.26 -4.72 135.00 133.53 2gsf s PRO 844 Ca 0.57 0.54 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 2gsf s PRO 844 Cb -0.55 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 31.85 2gsf s PRO 844 CO 0.61 -0.97 1.57 -1.25 0.04 0.00 0.00 177.00 177.00 2gsf s PRO 845 N -5.31 4.19 0.76 0.56 0.04 -1.26 -4.96 135.00 129.02 2gsf s PRO 845 Ca 0.58 2.44 -0.15 0.00 0.04 0.00 0.00 61.00 63.90 2gsf s PRO 845 Cb -0.11 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.35 2gsf s PRO 845 CO 0.52 -0.59 0.98 -2.30 0.04 0.00 0.00 177.00 175.65 2gsf n PRO 846 N 3.18 0.38 -1.66 0.56 -0.02 -1.26 -4.88 135.00 131.30 2gsf n PRO 846 Ca 0.11 0.19 -0.46 0.00 -2.02 0.00 0.00 63.50 61.32 2gsf n PRO 846 Cb 0.38 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 2gsf n PRO 846 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2gsf n MET 847 N -2.17 1.96 -2.12 -0.52 0.00 -1.26 -1.84 117.12 111.17 2gsf n MET 847 Ca 0.13 0.70 -0.18 0.00 -0.00 0.00 0.00 57.70 58.35 2gsf n MET 847 Cb 0.50 -2.41 -0.03 0.00 0.00 0.00 0.00 33.22 31.28 2gsf n MET 847 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2gsf n ASP 848 N 2.79 -5.31 -4.70 6.12 8.00 -1.26 -4.94 116.55 117.25 2gsf n ASP 848 Ca 0.15 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.34 2gsf n ASP 848 Cb 0.29 -4.39 -0.03 0.00 -0.02 0.00 0.00 41.12 36.97 2gsf n ASP 848 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gsf n PRO 850 N 4.73 1.61 -0.27 0.00 -0.02 -1.26 -1.26 135.00 138.52 2gsf n PRO 850 Ca 0.10 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.22 2gsf n PRO 850 Cb 0.47 -2.15 0.22 0.00 -0.02 0.00 0.00 33.50 32.02 2gsf n PRO 850 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gsf h ALA 851 N 3.75 1.16 -0.59 3.55 0.00 -1.25 -0.82 119.26 125.06 2gsf h ALA 851 Ca -0.44 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2gsf h ALA 851 Cb 1.31 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2gsf h ALA 851 CO 0.73 -0.22 0.39 0.00 0.00 0.00 0.00 179.25 180.14 2gsf h ALA 852 N 1.59 1.58 0.13 0.00 0.00 -1.87 0.64 119.26 121.32 2gsf h ALA 852 Ca 0.45 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 55.04 2gsf h ALA 852 Cb 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2gsf h ALA 852 CO -0.43 0.39 -1.30 -0.07 0.00 0.00 0.00 179.25 177.84 2gsf h LEU 853 N 0.80 0.42 -0.66 0.00 3.38 -1.56 -2.03 115.31 115.66 2gsf h LEU 853 Ca 0.21 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2gsf h LEU 853 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2gsf h LEU 853 CO -0.05 1.38 -0.08 0.22 0.09 0.00 0.00 178.44 180.00 2gsf h TYR 854 N 0.07 1.06 -0.87 1.13 3.20 -0.92 -1.27 116.97 119.38 2gsf h TYR 854 Ca -0.16 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 2gsf h TYR 854 Cb 1.98 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.94 2gsf h TYR 854 CO 0.06 0.99 0.48 0.37 -1.64 0.00 0.00 178.16 178.42 2gsf h GLN 855 N 0.86 1.22 -0.54 1.82 5.75 -0.90 -1.12 115.11 122.21 2gsf h GLN 855 Ca 0.14 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2gsf h GLN 855 Cb 0.62 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 2gsf h GLN 855 CO 0.04 0.89 0.32 1.25 -2.65 0.00 0.00 178.83 178.68 2gsf h LEU 856 N 1.22 0.65 -0.07 -2.39 5.85 -1.02 -0.13 115.31 119.41 2gsf h LEU 856 Ca 0.31 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.00 2gsf h LEU 856 Cb 0.03 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2gsf h LEU 856 CO -0.05 0.52 -0.20 0.24 -0.34 0.00 0.00 178.44 178.61 2gsf h MET 857 N 0.72 -0.27 -0.91 1.25 2.86 -0.68 -0.57 114.93 117.33 2gsf h MET 857 Ca 0.19 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.95 2gsf h MET 857 Cb -0.01 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 2gsf h MET 857 CO -0.04 -0.18 0.58 -0.07 1.06 0.00 0.00 176.91 178.27 2gsf h LEU 858 N -0.28 0.83 -0.39 1.22 3.38 -0.75 -0.41 115.31 118.91 2gsf h LEU 858 Ca 0.08 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2gsf h LEU 858 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2gsf h LEU 858 CO -0.24 0.49 -0.20 0.44 0.09 0.00 0.00 178.44 179.02 2gsf h ASP 859 N 0.92 0.85 0.19 -0.43 3.32 -0.58 -2.57 116.42 118.12 2gsf h ASP 859 Ca 0.42 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2gsf h ASP 859 Cb 0.39 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2gsf h ASP 859 CO -0.18 1.07 -0.11 0.00 -1.72 0.00 0.00 179.24 178.31 2gsf n TRP 861 N -4.00 2.49 -1.91 0.00 8.01 -0.24 -3.65 117.44 118.14 2gsf n TRP 861 Ca -0.02 -1.28 -0.41 0.00 -1.31 0.00 0.00 57.50 54.48 2gsf n TRP 861 Cb 0.19 -0.72 -0.02 0.00 -2.01 0.00 0.00 31.31 28.76 2gsf n TRP 861 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2gsf s GLN 862 N -2.92 4.20 0.18 -0.99 -1.52 -1.01 -4.90 119.66 112.70 2gsf s GLN 862 Ca 0.53 2.43 -0.14 0.00 -1.95 0.00 0.00 55.36 56.23 2gsf s GLN 862 Cb 0.43 -3.05 0.15 0.00 -0.22 0.00 0.00 33.01 30.32 2gsf s GLN 862 CO 0.13 -0.48 1.72 -0.22 -0.25 0.00 0.00 175.29 176.19 2gsf h LYS 863 N 4.39 0.22 -6.46 2.91 3.64 -1.93 -3.38 116.57 115.96 2gsf h LYS 863 Ca -0.48 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 2gsf h LYS 863 Cb 1.22 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 2gsf h LYS 863 CO 0.74 0.14 0.85 0.34 -2.27 0.00 0.00 179.45 179.25 2gsf s ASP 864 N -5.31 6.76 0.53 4.20 -1.08 -1.26 -4.92 116.67 115.59 2gsf s ASP 864 Ca -0.13 0.72 0.19 0.00 -0.52 0.00 0.00 52.55 52.80 2gsf s ASP 864 Cb 0.14 -2.53 1.39 0.00 -1.46 0.00 0.00 42.92 40.46 2gsf s ASP 864 CO 0.72 -1.05 2.17 0.08 0.52 0.00 0.00 175.17 177.61 2gsf h ARG 865 N 8.66 0.00 0.00 4.34 0.11 -1.97 -1.16 114.38 124.36 2gsf h ARG 865 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 2gsf h ARG 865 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2gsf h ARG 865 CO 1.07 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 180.23 2gsf h ASN 866 N 0.00 0.00 0.15 0.08 -0.26 -1.93 -2.60 115.58 111.02 2gsf h ASN 866 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2gsf h ASN 866 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2gsf h ASN 866 CO 0.00 0.00 -0.39 0.59 -1.06 0.00 0.00 177.43 176.57 2gsf n ASN 867 N -2.50 1.33 -4.80 5.81 3.02 -0.44 -4.93 115.26 112.76 2gsf n ASN 867 Ca 0.01 -1.07 -0.34 0.00 -0.03 0.00 0.00 54.58 53.15 2gsf n ASN 867 Cb 0.20 0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.65 2gsf n ASN 867 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2gsf s ARG 868 N -2.55 3.68 0.68 3.52 0.52 -0.98 -4.95 118.95 118.87 2gsf s ARG 868 Ca 0.21 1.31 -0.14 0.00 -0.52 0.00 0.00 55.73 56.58 2gsf s ARG 868 Cb 0.19 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.59 2gsf s ARG 868 CO 0.57 -0.53 1.12 -1.25 0.02 0.00 0.00 175.30 175.23 2gsf s PRO 869 N -3.48 2.64 0.60 3.54 0.04 -1.26 -5.03 135.00 132.04 2gsf s PRO 869 Ca 0.66 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 2gsf s PRO 869 Cb -0.16 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2gsf s PRO 869 CO 0.25 -1.38 1.02 0.15 0.04 0.00 0.00 177.00 177.08 2gsf s LYS 870 N -4.16 3.60 0.34 4.56 -0.14 -1.26 -4.91 119.74 117.77 2gsf s LYS 870 Ca 0.67 0.85 0.08 0.00 -1.36 0.00 0.00 55.97 56.21 2gsf s LYS 870 Cb -0.21 -2.08 0.77 0.00 -1.68 0.00 0.00 37.83 34.63 2gsf s LYS 870 CO 0.44 -0.56 1.85 0.74 -0.76 0.00 0.00 175.35 177.05 2gsf h PHE 871 N -0.00 0.90 -0.69 3.18 0.04 -1.93 -0.54 116.94 117.88 2gsf h PHE 871 Ca -0.45 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.38 2gsf h PHE 871 Cb 1.19 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 39.02 2gsf h PHE 871 CO 0.65 0.31 0.46 1.49 -0.60 0.00 0.00 178.31 180.62 2gsf h GLU 872 N 0.74 0.80 -0.14 1.51 4.81 -1.93 -0.45 114.58 119.92 2gsf h GLU 872 Ca 0.48 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.47 2gsf h GLU 872 Cb 0.73 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2gsf h GLU 872 CO -0.24 0.53 -0.70 1.96 -0.73 0.00 0.00 179.01 179.83 2gsf h GLN 873 N 0.82 0.59 -0.32 1.92 4.20 -1.51 -2.01 115.11 118.81 2gsf h GLN 873 Ca 0.28 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2gsf h GLN 873 Cb 0.08 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2gsf h GLN 873 CO -0.08 1.07 0.11 0.82 -0.67 0.00 0.00 178.83 180.08 2gsf h ILE 874 N 0.42 1.20 -0.62 2.54 2.04 -0.54 0.57 117.51 123.12 2gsf h ILE 874 Ca -0.03 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2gsf h ILE 874 Cb 1.29 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 2gsf h ILE 874 CO 0.13 0.22 0.36 0.58 0.00 0.00 0.00 178.15 179.44 2gsf h VAL 875 N 0.37 1.04 -0.81 1.67 2.07 -1.04 -1.38 116.25 118.16 2gsf h VAL 875 Ca 0.10 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2gsf h VAL 875 Cb 0.23 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2gsf h VAL 875 CO -0.00 0.13 0.44 0.28 0.02 0.00 0.00 177.57 178.43 2gsf h SER 876 N 0.70 1.02 -0.34 0.57 0.02 -0.93 0.91 113.55 115.50 2gsf h SER 876 Ca 0.26 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2gsf h SER 876 Cb 0.07 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2gsf h SER 876 CO -0.13 0.83 0.16 0.40 -1.14 0.00 0.00 176.83 176.96 2gsf h ILE 877 N 1.13 1.17 -0.54 3.27 2.04 -0.43 -1.80 117.51 122.35 2gsf h ILE 877 Ca 0.28 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 2gsf h ILE 877 Cb 0.05 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2gsf h ILE 877 CO -0.04 0.18 -0.11 -0.07 0.00 0.00 0.00 178.15 178.11 2gsf h LEU 878 N 0.42 1.04 -1.21 1.44 3.38 -0.95 -2.39 115.31 117.04 2gsf h LEU 878 Ca 0.12 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2gsf h LEU 878 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2gsf h LEU 878 CO -0.01 1.14 0.41 0.44 0.09 0.00 0.00 178.44 180.51 2gsf h ASP 879 N 0.91 0.85 -0.34 -0.43 3.32 -0.65 -0.67 116.42 119.41 2gsf h ASP 879 Ca 0.14 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 2gsf h ASP 879 Cb 0.68 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2gsf h ASP 879 CO 0.05 0.66 -0.21 0.11 -1.72 0.00 0.00 179.24 178.13 2gsf h LYS 880 N 0.97 0.83 -0.74 3.56 1.57 -1.05 -1.26 116.57 120.45 2gsf h LYS 880 Ca 0.25 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2gsf h LYS 880 Cb -0.02 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2gsf h LYS 880 CO -0.05 0.96 0.28 -0.07 -0.57 0.00 0.00 179.45 180.01 2gsf h LEU 881 N 0.72 1.02 -0.81 2.94 3.38 -0.90 -0.63 115.31 121.03 2gsf h LEU 881 Ca 0.10 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2gsf h LEU 881 Cb 0.74 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2gsf h LEU 881 CO 0.06 0.91 -0.07 0.40 0.09 0.00 0.00 178.44 179.83 2gsf h ILE 882 N 1.07 1.26 -0.00 1.22 2.04 -0.79 -2.75 117.51 119.56 2gsf h ILE 882 Ca 0.24 -1.13 -0.16 0.00 1.00 0.00 0.00 64.86 64.81 2gsf h ILE 882 Cb 0.23 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2gsf h ILE 882 CO -0.02 0.39 -0.77 0.03 0.00 0.00 0.00 178.15 177.79 2gsf h ARG 883 N 0.74 0.03 -2.32 2.37 3.08 -0.96 -3.35 114.38 113.97 2gsf h ARG 883 Ca 0.13 -0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.56 2gsf h ARG 883 Cb 0.56 0.01 -0.41 0.00 0.08 0.00 0.00 29.97 30.20 2gsf h ARG 883 CO 0.03 0.78 -0.72 -1.71 -1.07 0.00 0.00 179.97 177.29 2gsf n ASN 884 N -3.65 2.64 0.31 7.04 5.15 -0.27 -4.95 115.26 121.53 2gsf n ASN 884 Ca -0.01 -3.19 0.19 0.00 -0.60 0.00 0.00 54.58 50.97 2gsf n ASN 884 Cb 0.74 -0.67 1.01 0.00 -0.53 0.00 0.00 39.78 40.33 2gsf n ASN 884 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gsf h PRO 885 N 4.45 0.00 -0.14 1.20 0.13 -1.63 -1.24 132.00 134.76 2gsf h PRO 885 Ca 0.17 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.34 2gsf h PRO 885 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2gsf h PRO 885 CO 0.71 0.02 0.12 0.78 -0.23 0.00 0.00 178.00 179.40 2gsf h GLY 886 N 0.36 0.00 2.00 1.56 0.00 -1.93 -1.14 103.07 103.92 2gsf h GLY 886 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2gsf h GLY 886 CO 0.00 0.00 -0.10 1.48 0.00 0.00 0.00 176.54 177.92 2gsf h SER 887 N 0.00 0.00 0.60 0.19 4.64 -1.55 -1.38 113.55 116.04 2gsf h SER 887 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2gsf h SER 887 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2gsf h SER 887 CO -0.00 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 2gsf n LEU 888 N -3.71 0.13 0.04 5.97 4.77 -0.43 -3.23 117.00 120.54 2gsf n LEU 888 Ca -0.02 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 2gsf n LEU 888 Cb 0.21 -0.51 0.52 0.00 -2.33 0.00 0.00 43.42 41.31 2gsf n LEU 888 CO 0.30 -0.28 0.91 0.29 -1.33 0.00 0.00 177.39 177.28 2gsf n LYS 889 N -1.64 0.09 -2.84 3.23 5.02 -0.52 -4.55 118.16 116.95 2gsf n LYS 889 Ca 0.04 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 2gsf n LYS 889 Cb 0.20 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 2gsf n LYS 889 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2gsf s ILE 890 N -3.05 4.68 0.06 -0.18 1.01 -1.20 -5.02 121.20 117.49 2gsf s ILE 890 Ca 0.12 1.32 0.04 0.00 0.00 0.00 0.00 60.65 62.12 2gsf s ILE 890 Cb 0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2gsf s ILE 890 CO 0.51 -0.37 -0.01 -0.63 0.00 0.00 0.00 174.94 174.45 2gsf s ILE 891 N 3.24 4.03 0.69 2.92 -1.09 -1.26 -0.85 121.20 128.88 2gsf s ILE 891 Ca 0.37 -0.86 -0.15 0.00 -2.23 0.00 0.00 60.65 57.78 2gsf s ILE 891 Cb -0.13 -2.87 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 2gsf s ILE 891 CO 0.15 0.21 1.14 -0.89 -1.23 0.00 0.00 174.94 174.32 2gsf s THR 892 N -1.22 2.96 -0.70 2.92 2.01 -0.39 -4.60 115.64 116.62 2gsf s THR 892 Ca 0.23 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 2gsf s THR 892 Cb -0.12 -2.95 0.32 0.00 0.01 0.00 0.00 72.50 69.76 2gsf s THR 892 CO 0.15 -0.28 2.16 -1.54 -0.69 0.00 0.00 174.62 174.41 2gsf n SER 893 N -2.63 7.33 -2.05 3.53 3.41 -1.26 -4.77 113.62 117.18 2gsf n SER 893 Ca 0.11 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 2gsf n SER 893 Cb 0.52 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2gsf n SER 893 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2gsf n SER 899 N -0.34 0.00 -3.96 4.04 7.64 -1.26 -4.98 113.62 114.77 2gsf n SER 899 Ca 0.54 -0.09 -0.15 0.00 1.01 0.00 0.00 58.87 60.17 2gsf n SER 899 Cb 0.42 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 2gsf n SER 899 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2gsf s ASN 900 N 0.24 0.59 0.33 6.43 3.84 -1.26 -5.12 114.94 119.99 2gsf s ASN 900 Ca 0.00 -0.12 -0.11 0.00 0.21 0.00 0.00 52.86 52.84 2gsf s ASN 900 Cb 0.00 -0.06 -0.07 0.00 -0.55 0.00 0.00 41.25 40.57 2gsf s ASN 900 CO 0.00 0.04 0.69 -0.76 -2.79 0.00 0.00 177.10 174.28 2gsf s LEU 901 N -0.23 3.99 -0.10 3.21 1.43 -1.26 -4.29 118.68 121.42 2gsf s LEU 901 Ca 0.01 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2gsf s LEU 901 Cb -0.03 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 2gsf s LEU 901 CO -0.00 -0.25 -0.04 -0.76 0.23 0.00 0.00 176.35 175.52 2gsf s LEU 902 N -3.37 3.29 -0.29 1.79 1.43 0.04 -4.85 118.68 116.71 2gsf s LEU 902 Ca 0.50 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 53.30 2gsf s LEU 902 Cb -0.10 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2gsf s LEU 902 CO 0.25 0.29 1.03 -0.22 0.23 0.00 0.00 176.35 177.94 2gsf s LEU 903 N -0.39 4.00 0.00 1.79 2.96 -1.26 -0.22 118.68 125.56 2gsf s LEU 903 Ca 0.06 1.10 0.26 0.00 -0.22 0.00 0.00 54.13 55.34 2gsf s LEU 903 Cb -0.12 -3.49 0.72 0.00 0.50 0.00 0.00 46.19 43.81 2gsf s LEU 903 CO 0.02 -0.79 1.56 0.47 -1.32 0.00 0.00 176.35 176.30