#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxx h GLN 607 N 0.00 1.00 -0.73 1.09 4.20 -2.04 -3.20 115.11 115.44 3fxx h GLN 607 Ca 0.00 -0.44 0.16 0.00 0.06 0.00 0.00 58.65 58.43 3fxx h GLN 607 Cb 0.00 -0.03 -0.13 0.00 0.30 0.00 0.00 27.48 27.62 3fxx h GLN 607 CO 0.00 1.12 -0.04 1.15 -0.67 0.00 0.00 178.83 180.38 3fxx h THR 608 N 0.86 0.34 -0.02 -0.54 2.02 -2.03 -0.95 112.91 112.58 3fxx h THR 608 Ca 0.11 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 3fxx h THR 608 Cb 0.81 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3fxx h THR 608 CO 0.07 0.01 -0.64 1.62 0.37 0.00 0.00 175.52 176.96 3fxx h VAL 609 N 0.07 1.43 0.00 3.16 3.04 -1.87 -3.24 116.25 118.85 3fxx h VAL 609 Ca 0.38 -2.13 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 3fxx h VAL 609 Cb 0.65 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 3fxx h VAL 609 CO -0.67 0.62 0.00 1.41 -1.01 0.00 0.00 177.57 177.92 3fxx n HIS 610 N -3.81 0.00 -0.02 3.17 -0.00 -0.37 -0.78 115.22 113.41 3fxx n HIS 610 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.67 3fxx n HIS 610 Cb 0.63 -0.44 0.20 0.00 -0.00 0.00 0.00 29.99 30.38 3fxx n HIS 610 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3fxx h GLU 611 N 0.00 0.57 0.00 -0.41 4.81 -1.56 -3.36 114.58 114.64 3fxx h GLU 611 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3fxx h GLU 611 Cb 0.26 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3fxx h GLU 611 CO 0.00 0.71 -0.01 1.19 -0.73 0.00 0.00 179.01 180.17 3fxx n PHE 612 N -4.16 0.00 -3.87 0.92 3.72 -0.65 -5.03 117.46 108.39 3fxx n PHE 612 Ca 0.00 -0.36 -0.16 0.00 -0.05 0.00 0.00 57.45 56.88 3fxx n PHE 612 Cb 0.36 -0.04 -0.16 0.00 -0.94 0.00 0.00 39.48 38.70 3fxx n PHE 612 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fxx s ALA 613 N -0.77 0.19 0.27 4.37 0.00 0.04 -4.45 121.76 121.41 3fxx s ALA 613 Ca 0.02 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 3fxx s ALA 613 Cb 0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 3fxx s ALA 613 CO 0.00 -0.07 1.14 0.21 0.00 0.00 0.00 175.76 177.04 3fxx s LYS 614 N 0.90 4.58 -0.26 0.00 2.20 -1.26 -4.40 119.74 121.50 3fxx s LYS 614 Ca -0.08 1.87 -0.27 0.00 -0.36 0.00 0.00 55.97 57.13 3fxx s LYS 614 Cb -0.12 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 3fxx s LYS 614 CO -0.02 0.11 0.95 -2.00 -0.36 0.00 0.00 175.35 174.02 3fxx s GLU 615 N -1.25 4.17 0.18 4.03 2.56 -1.26 -0.59 118.70 126.54 3fxx s GLU 615 Ca 0.47 1.09 -0.09 0.00 0.00 0.00 0.00 54.97 56.43 3fxx s GLU 615 Cb -0.33 -3.67 -0.07 0.00 2.00 0.00 0.00 34.13 32.07 3fxx s GLU 615 CO 0.42 -0.64 0.49 -0.51 -0.56 0.00 0.00 175.26 174.46 3fxx s LEU 616 N 3.12 4.23 -0.24 2.70 1.43 0.10 -4.92 118.68 125.11 3fxx s LEU 616 Ca 0.40 0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 54.10 3fxx s LEU 616 Cb -0.15 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 3fxx s LEU 616 CO 0.09 0.01 0.82 -0.62 0.23 0.00 0.00 176.35 176.87 3fxx s ASP 617 N -2.22 6.81 0.61 2.29 -1.08 -1.26 -4.69 116.67 117.13 3fxx s ASP 617 Ca 0.43 1.01 0.41 0.00 -0.52 0.00 0.00 52.55 53.87 3fxx s ASP 617 Cb -0.12 -2.43 2.12 0.00 -1.46 0.00 0.00 42.92 41.03 3fxx s ASP 617 CO 0.21 -0.51 2.23 0.00 0.52 0.00 0.00 175.17 177.63 3fxx h ALA 618 N 7.70 1.00 0.00 3.66 0.00 -1.96 -0.95 119.26 128.70 3fxx h ALA 618 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fxx h ALA 618 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3fxx h ALA 618 CO 0.87 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.91 3fxx h THR 619 N 0.00 0.00 -0.01 0.00 1.35 -2.02 -2.48 112.91 109.75 3fxx h THR 619 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3fxx h THR 619 Cb 0.09 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 3fxx h THR 619 CO 0.00 0.00 -0.11 0.59 -0.25 0.00 0.00 175.52 175.75 3fxx n ASN 620 N -3.02 1.29 -4.48 5.36 3.02 -0.36 -4.85 115.26 112.21 3fxx n ASN 620 Ca -0.01 -1.23 -0.34 0.00 -0.03 0.00 0.00 54.58 52.97 3fxx n ASN 620 Cb 0.21 0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.31 3fxx n ASN 620 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fxx s ILE 621 N -2.21 3.90 0.01 2.41 1.01 -0.94 -0.43 121.20 124.95 3fxx s ILE 621 Ca 0.32 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.71 3fxx s ILE 621 Cb 0.20 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3fxx s ILE 621 CO 0.41 0.47 -0.25 -0.94 0.00 0.00 0.00 174.94 174.63 3fxx s SER 622 N 0.59 2.99 -0.14 3.58 1.04 -0.13 -4.98 113.70 116.65 3fxx s SER 622 Ca -0.02 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 3fxx s SER 622 Cb -0.14 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 3fxx s SER 622 CO 0.02 0.28 0.02 -0.63 0.98 0.00 0.00 173.24 173.91 3fxx s ILE 623 N -0.69 4.40 -0.19 -1.02 1.01 -1.26 -0.80 121.20 122.66 3fxx s ILE 623 Ca 0.10 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 3fxx s ILE 623 Cb -0.10 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 3fxx s ILE 623 CO 0.00 0.52 -0.35 -0.67 0.00 0.00 0.00 174.94 174.44 3fxx n ASP 624 N 3.07 1.94 -3.50 3.58 2.03 0.45 -4.95 116.55 119.17 3fxx n ASP 624 Ca -0.18 0.33 -0.10 0.00 0.52 0.00 0.00 54.79 55.37 3fxx n ASP 624 Cb 0.53 -0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 3fxx n ASP 624 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3fxx s LYS 625 N -2.88 1.12 0.20 -0.67 -2.85 -1.18 -5.00 119.74 108.49 3fxx s LYS 625 Ca -0.30 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 3fxx s LYS 625 Cb 0.05 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 36.23 3fxx s LYS 625 CO 0.43 -0.49 1.14 0.08 0.10 0.00 0.00 175.35 176.61 3fxx s VAL 626 N -3.47 3.66 0.00 1.79 1.01 -1.26 -0.88 120.40 121.24 3fxx s VAL 626 Ca 0.04 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3fxx s VAL 626 Cb -0.01 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3fxx s VAL 626 CO -0.09 0.26 0.31 1.33 0.00 0.00 0.00 175.10 176.91 3fxx n VAL 627 N 2.18 0.00 -0.44 2.92 0.24 0.32 -4.85 118.33 118.70 3fxx n VAL 627 Ca 0.03 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3fxx n VAL 627 Cb 0.45 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 3fxx n VAL 627 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fxx n GLY 628 N 0.12 -1.17 3.14 7.63 0.00 -1.00 -4.99 105.19 108.92 3fxx n GLY 628 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3fxx n GLY 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxx s ALA 629 N -1.86 -0.61 0.19 4.61 0.00 -1.26 -1.09 121.76 121.74 3fxx s ALA 629 Ca 0.00 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3fxx s ALA 629 Cb 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3fxx s ALA 629 CO 0.00 -0.13 0.03 0.41 0.00 0.00 0.00 175.76 176.06 3fxx n GLY 630 N 2.73 3.86 0.38 0.00 0.00 0.66 -4.92 105.19 107.90 3fxx n GLY 630 Ca -0.14 -2.15 0.16 0.00 0.00 0.00 0.00 46.02 43.88 3fxx n GLY 630 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fxx h GLU 631 N 0.00 0.52 0.00 1.61 4.81 -2.00 -3.21 114.58 116.31 3fxx h GLU 631 Ca -0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3fxx h GLU 631 Cb 0.51 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3fxx h GLU 631 CO 0.25 0.35 -1.42 1.19 -0.73 0.00 0.00 179.01 178.65 3fxx n PHE 632 N -4.55 0.00 -2.20 0.92 3.72 -1.26 -5.03 117.46 109.06 3fxx n PHE 632 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3fxx n PHE 632 Cb 0.59 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3fxx n PHE 632 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fxx n GLY 633 N 1.42 -0.49 3.94 1.37 0.00 -1.21 -0.25 105.19 109.96 3fxx n GLY 633 Ca -0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 3fxx n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fxx s GLU 634 N -1.98 3.19 -0.09 1.61 2.02 -1.25 -0.25 118.70 121.95 3fxx s GLU 634 Ca 0.00 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.79 3fxx s GLU 634 Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.75 3fxx s GLU 634 CO 0.00 -0.28 -0.20 0.08 0.02 0.00 0.00 175.26 174.87 3fxx s VAL 635 N -2.64 1.77 0.19 2.63 1.01 -0.25 -2.31 120.40 120.80 3fxx s VAL 635 Ca 0.48 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3fxx s VAL 635 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3fxx s VAL 635 CO 0.40 0.50 -0.19 0.00 0.00 0.00 0.00 175.10 175.81 3fxx s SER 637 N -2.87 6.37 0.00 0.00 1.04 -0.06 0.05 113.70 118.23 3fxx s SER 637 Ca 0.19 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.39 3fxx s SER 637 Cb -0.05 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.90 3fxx s SER 637 CO 0.08 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3fxx n GLY 638 N -1.57 1.04 3.08 7.32 0.00 -0.18 -0.41 105.19 114.47 3fxx n GLY 638 Ca -0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 3fxx n GLY 638 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fxx s ARG 639 N 0.79 0.64 -0.08 1.61 1.81 0.02 -1.42 118.95 122.32 3fxx s ARG 639 Ca 0.00 -0.68 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 3fxx s ARG 639 Cb 0.00 -0.53 0.00 0.00 -0.45 0.00 0.00 34.95 33.97 3fxx s ARG 639 CO 0.00 0.12 -0.20 -1.17 -0.68 0.00 0.00 175.30 173.37 3fxx s LEU 640 N -1.22 1.93 -0.30 2.53 2.96 -0.11 -0.95 118.68 123.51 3fxx s LEU 640 Ca -0.04 -0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 53.24 3fxx s LEU 640 Cb -0.08 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 3fxx s LEU 640 CO 0.01 0.12 0.48 -0.75 -1.32 0.00 0.00 176.35 174.88 3fxx s LYS 641 N 0.42 3.87 0.71 1.98 2.20 0.42 -1.39 119.74 127.95 3fxx s LYS 641 Ca -0.16 0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 3fxx s LYS 641 Cb -0.17 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 3fxx s LYS 641 CO 0.07 -0.45 1.08 -0.51 -0.36 0.00 0.00 175.35 175.17 3fxx s LEU 642 N 2.28 2.87 0.48 5.43 1.43 0.49 -4.85 118.68 126.79 3fxx s LEU 642 Ca 0.18 0.95 0.17 0.00 -1.03 0.00 0.00 54.13 54.40 3fxx s LEU 642 Cb -0.16 -3.68 1.16 0.00 0.03 0.00 0.00 46.19 43.55 3fxx s LEU 642 CO 0.11 -1.43 2.02 -0.65 0.23 0.00 0.00 176.35 176.63 3fxx h PRO 643 N -0.66 0.22 0.00 1.29 0.11 -1.98 0.13 132.00 131.12 3fxx h PRO 643 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fxx h PRO 643 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fxx h PRO 643 CO 0.64 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 3fxx n SER 644 N -4.46 0.00 -0.02 -2.05 3.41 -1.26 -4.88 113.62 104.36 3fxx n SER 644 Ca 0.07 -0.36 -0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3fxx n SER 644 Cb 0.36 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3fxx n SER 644 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fxx n LYS 645 N -1.11 -0.60 -2.68 4.33 4.76 0.47 -5.02 118.16 118.31 3fxx n LYS 645 Ca 0.12 0.18 -0.40 0.00 -2.87 0.00 0.00 58.31 55.34 3fxx n LYS 645 Cb 0.10 -3.65 -0.06 0.00 -1.84 0.00 0.00 35.03 29.58 3fxx n LYS 645 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3fxx s LYS 646 N -0.70 4.79 -0.13 1.97 2.20 -1.26 -4.78 119.74 121.84 3fxx s LYS 646 Ca 0.00 1.56 -0.02 0.00 -0.36 0.00 0.00 55.97 57.15 3fxx s LYS 646 Cb 0.00 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3fxx s LYS 646 CO 0.00 0.43 -0.05 -1.21 -0.36 0.00 0.00 175.35 174.17 3fxx s GLU 647 N -1.28 3.43 0.12 4.03 2.02 -1.26 -0.38 118.70 125.38 3fxx s GLU 647 Ca 0.42 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.95 3fxx s GLU 647 Cb -0.27 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3fxx s GLU 647 CO 0.34 0.36 -0.16 0.96 0.02 0.00 0.00 175.26 176.78 3fxx s ILE 648 N 0.04 1.47 0.19 -1.63 -4.36 -0.49 -4.97 121.20 111.45 3fxx s ILE 648 Ca -0.00 -1.70 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 3fxx s ILE 648 Cb -0.13 -1.56 -0.08 0.00 1.25 0.00 0.00 42.46 41.93 3fxx s ILE 648 CO 0.03 -0.33 1.10 -0.44 0.24 0.00 0.00 174.94 175.53 3fxx s SER 649 N -2.37 7.27 0.08 4.36 0.01 -1.26 -0.93 113.70 120.87 3fxx s SER 649 Ca 0.09 2.10 0.01 0.00 1.31 0.00 0.00 55.95 59.46 3fxx s SER 649 Cb -0.06 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 3fxx s SER 649 CO 0.04 -0.21 -0.05 0.68 0.41 0.00 0.00 173.24 174.11 3fxx s VAL 650 N -0.33 0.51 -0.08 3.43 -7.23 -0.51 -2.72 120.40 113.47 3fxx s VAL 650 Ca 0.49 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.76 3fxx s VAL 650 Cb -0.29 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3fxx s VAL 650 CO 0.35 -0.88 0.19 0.00 -0.31 0.00 0.00 175.10 174.45 3fxx s ALA 651 N -3.56 3.86 -0.16 1.32 0.00 0.11 -1.01 121.76 122.32 3fxx s ALA 651 Ca 0.08 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3fxx s ALA 651 Cb 0.05 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.16 3fxx s ALA 651 CO -0.06 0.61 -0.15 0.42 0.00 0.00 0.00 175.76 176.58 3fxx s ILE 652 N -1.08 1.69 -0.15 0.00 1.01 0.11 -1.13 121.20 121.65 3fxx s ILE 652 Ca 0.18 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 3fxx s ILE 652 Cb -0.13 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 3fxx s ILE 652 CO 0.08 0.46 0.01 -0.54 0.00 0.00 0.00 174.94 174.94 3fxx s LYS 653 N 1.44 3.62 0.04 2.79 1.02 -0.06 -0.14 119.74 128.45 3fxx s LYS 653 Ca 0.05 -0.43 0.05 0.00 0.02 0.00 0.00 55.97 55.65 3fxx s LYS 653 Cb -0.13 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3fxx s LYS 653 CO -0.11 0.36 -0.09 0.95 -0.92 0.00 0.00 175.35 175.54 3fxx s THR 654 N 0.08 3.47 -0.12 2.17 -4.23 -0.98 -0.83 115.64 115.19 3fxx s THR 654 Ca 0.02 -0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 59.32 3fxx s THR 654 Cb -0.13 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 3fxx s THR 654 CO 0.02 0.31 0.84 -0.22 -0.54 0.00 0.00 174.62 175.03 3fxx s LEU 655 N -1.64 4.23 0.57 4.79 2.96 -0.33 -3.68 118.68 125.59 3fxx s LEU 655 Ca 0.18 1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 55.16 3fxx s LEU 655 Cb -0.11 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 3fxx s LEU 655 CO 0.09 -0.33 1.08 2.29 -1.32 0.00 0.00 176.35 178.16 3fxx n LYS 656 N 4.76 1.14 -1.80 1.98 2.85 0.65 -4.43 118.16 123.32 3fxx n LYS 656 Ca 0.04 0.43 -0.41 0.00 -1.05 0.00 0.00 58.31 57.32 3fxx n LYS 656 Cb 0.50 -2.26 -0.01 0.00 -0.65 0.00 0.00 35.03 32.61 3fxx n LYS 656 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3fxx s VAL 657 N -1.42 2.06 -0.19 0.58 1.01 -1.26 -2.67 120.40 118.50 3fxx s VAL 657 Ca 0.74 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3fxx s VAL 657 Cb -0.43 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3fxx s VAL 657 CO 0.48 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3fxx n GLY 658 N 1.00 0.42 3.72 4.51 0.00 -1.26 -5.01 105.19 108.57 3fxx n GLY 658 Ca 0.03 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3fxx n GLY 658 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3fxx n TYR 659 N -3.43 1.89 -2.18 1.61 0.18 -1.09 -5.03 117.16 109.11 3fxx n TYR 659 Ca -0.02 0.42 -0.29 0.00 1.88 0.00 0.00 57.90 59.88 3fxx n TYR 659 Cb 0.27 -2.26 0.01 0.00 -0.38 0.00 0.00 39.34 36.98 3fxx n TYR 659 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3fxx s THR 660 N -1.40 4.72 0.39 -3.48 -4.23 -1.26 -4.94 115.64 105.45 3fxx s THR 660 Ca 0.83 0.58 0.09 0.00 -1.18 0.00 0.00 61.69 62.01 3fxx s THR 660 Cb -0.38 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 69.80 3fxx s THR 660 CO 0.40 -1.00 1.95 -0.33 -0.54 0.00 0.00 174.62 175.11 3fxx h GLU 661 N -0.12 0.32 -0.08 3.99 4.39 -1.99 -1.23 114.58 119.86 3fxx h GLU 661 Ca -0.45 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 3fxx h GLU 661 Cb 1.20 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3fxx h GLU 661 CO 0.62 0.37 0.03 -0.22 -1.16 0.00 0.00 179.01 178.65 3fxx h LYS 662 N 0.31 0.12 -0.64 2.33 3.64 -1.99 -1.10 116.57 119.24 3fxx h LYS 662 Ca 0.07 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3fxx h LYS 662 Cb 0.26 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 3fxx h LYS 662 CO 0.01 0.24 0.32 1.96 -2.27 0.00 0.00 179.45 179.71 3fxx h GLN 663 N -0.02 0.57 -0.54 1.90 4.20 -1.82 -0.04 115.11 119.35 3fxx h GLN 663 Ca 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fxx h GLN 663 Cb 0.16 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3fxx h GLN 663 CO -0.00 0.38 0.33 -0.09 -0.67 0.00 0.00 178.83 178.77 3fxx h ARG 664 N 0.58 0.74 -0.60 1.46 2.43 -1.13 0.57 114.38 118.43 3fxx h ARG 664 Ca 0.30 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3fxx h ARG 664 Cb 0.26 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3fxx h ARG 664 CO -0.22 0.53 0.22 0.00 -1.51 0.00 0.00 179.97 178.99 3fxx h ARG 665 N 0.73 0.91 -0.33 0.20 3.08 -0.68 -0.81 114.38 117.48 3fxx h ARG 665 Ca 0.20 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3fxx h ARG 665 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3fxx h ARG 665 CO -0.04 0.79 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.17 3fxx h ASP 666 N 0.84 0.61 0.63 7.04 3.32 -0.82 0.12 116.42 128.15 3fxx h ASP 666 Ca 0.20 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3fxx h ASP 666 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fxx h ASP 666 CO -0.01 0.80 -0.41 0.15 -1.72 0.00 0.00 179.24 178.05 3fxx h PHE 667 N 0.40 -1.10 -0.05 4.55 3.57 -0.75 -2.31 116.94 121.26 3fxx h PHE 667 Ca 0.09 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3fxx h PHE 667 Cb 0.51 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3fxx h PHE 667 CO 0.04 -0.62 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.02 3fxx h LEU 668 N -0.99 0.10 -0.88 0.59 3.38 -1.20 -3.03 115.31 113.29 3fxx h LEU 668 Ca -0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3fxx h LEU 668 Cb 0.81 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3fxx h LEU 668 CO 0.06 0.52 0.48 1.23 0.09 0.00 0.00 178.44 180.82 3fxx h GLY 669 N 1.27 1.31 1.01 0.83 0.00 -0.61 0.43 103.07 107.30 3fxx h GLY 669 Ca 0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3fxx h GLY 669 CO 0.06 0.57 0.40 0.83 0.00 0.00 0.00 176.54 178.40 3fxx h GLU 670 N 1.23 0.98 -0.72 4.80 5.08 -1.29 -2.13 114.58 122.52 3fxx h GLU 670 Ca 0.31 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3fxx h GLU 670 Cb 0.03 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3fxx h GLU 670 CO -0.05 0.73 0.29 0.00 -1.00 0.00 0.00 179.01 178.98 3fxx h ALA 671 N 1.20 1.15 -0.21 3.43 0.00 -1.35 -1.43 119.26 122.05 3fxx h ALA 671 Ca 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fxx h ALA 671 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3fxx h ALA 671 CO -0.04 0.61 -0.12 0.66 0.00 0.00 0.00 179.25 180.37 3fxx h SER 672 N 1.04 0.31 0.06 0.00 4.64 -0.48 0.13 113.55 119.26 3fxx h SER 672 Ca 0.24 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3fxx h SER 672 Cb 0.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fxx h SER 672 CO -0.02 0.46 -0.03 0.40 -0.87 0.00 0.00 176.83 176.77 3fxx h ILE 673 N 0.31 1.26 -0.71 0.95 2.04 -1.08 -3.27 117.51 117.01 3fxx h ILE 673 Ca 0.06 -1.35 0.14 0.00 1.00 0.00 0.00 64.86 64.72 3fxx h ILE 673 Cb 0.40 2.11 -0.10 0.00 -0.74 0.00 0.00 36.82 38.49 3fxx h ILE 673 CO 0.02 0.32 0.21 -0.03 0.00 0.00 0.00 178.15 178.68 3fxx h MET 674 N -0.72 0.32 0.00 2.37 4.05 -1.07 -1.21 114.93 118.67 3fxx h MET 674 Ca -0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3fxx h MET 674 Cb 0.59 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3fxx h MET 674 CO 0.01 0.21 0.00 0.78 0.23 0.00 0.00 176.91 178.15 3fxx h GLY 675 N 0.33 0.00 2.00 1.39 0.00 -1.05 -1.73 103.07 104.01 3fxx h GLY 675 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3fxx h GLY 675 CO -0.44 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.56 3fxx h GLN 676 N 0.00 0.00 -5.28 4.80 4.20 -1.26 -3.44 115.11 114.12 3fxx h GLN 676 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 3fxx h GLN 676 Cb 0.10 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.68 3fxx h GLN 676 CO 0.00 0.00 -0.64 -0.06 -0.67 0.00 0.00 178.83 177.46 3fxx s PHE 677 N -3.33 3.08 -0.42 2.96 0.08 -0.65 -5.05 117.98 114.65 3fxx s PHE 677 Ca 0.06 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.91 3fxx s PHE 677 Cb 0.09 -2.00 0.12 0.00 -0.57 0.00 0.00 43.02 40.66 3fxx s PHE 677 CO 0.54 -0.00 0.18 0.34 -0.10 0.00 0.00 175.22 176.17 3fxx s ASP 678 N 0.41 4.13 -0.10 1.36 2.15 -1.26 -4.80 116.67 118.56 3fxx s ASP 678 Ca -0.02 -2.45 -0.14 0.00 0.43 0.00 0.00 52.55 50.37 3fxx s ASP 678 Cb -0.14 -1.29 0.03 0.00 -0.30 0.00 0.00 42.92 41.23 3fxx s ASP 678 CO 0.02 -0.31 0.36 -2.28 -0.17 0.00 0.00 175.17 172.80 3fxx s HIS 679 N 0.53 -0.35 0.51 -5.34 2.46 -1.26 -5.05 115.29 106.79 3fxx s HIS 679 Ca 0.15 0.78 0.40 0.00 0.47 0.00 0.00 55.06 56.85 3fxx s HIS 679 Cb -0.22 0.13 2.07 0.00 -0.13 0.00 0.00 32.58 34.43 3fxx s HIS 679 CO -0.06 -0.27 2.25 -1.00 -2.47 0.00 0.00 174.74 173.19 3fxx h PRO 680 N 4.95 0.00 -0.30 2.88 0.13 -1.98 -2.59 132.00 135.09 3fxx h PRO 680 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3fxx h PRO 680 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3fxx h PRO 680 CO 0.31 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.19 3fxx n ASN 681 N -3.18 4.10 -4.18 1.44 4.13 -1.26 -4.88 115.26 111.42 3fxx n ASN 681 Ca -0.02 -2.99 -0.28 0.00 1.68 0.00 0.00 54.58 52.96 3fxx n ASN 681 Cb 0.14 -0.56 -0.16 0.00 -1.54 0.00 0.00 39.78 37.66 3fxx n ASN 681 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3fxx s ILE 682 N -2.79 1.66 0.11 2.41 1.01 -0.98 -1.12 121.20 121.50 3fxx s ILE 682 Ca 0.43 -0.84 -0.34 0.00 0.00 0.00 0.00 60.65 59.90 3fxx s ILE 682 Cb 0.35 -1.42 -0.14 0.00 0.01 0.00 0.00 42.46 41.26 3fxx s ILE 682 CO 0.10 0.47 1.61 -0.38 0.00 0.00 0.00 174.94 176.74 3fxx n ILE 683 N 3.13 0.09 -2.70 2.92 2.08 -0.52 -4.57 119.36 119.80 3fxx n ILE 683 Ca -0.18 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.69 3fxx n ILE 683 Cb 0.53 -1.53 -0.03 0.00 -0.75 0.00 0.00 39.64 37.86 3fxx n ILE 683 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3fxx s ARG 684 N 1.39 4.42 -0.34 0.38 3.52 -1.26 -4.92 118.95 122.14 3fxx s ARG 684 Ca 0.82 1.37 -0.24 0.00 -0.13 0.00 0.00 55.73 57.54 3fxx s ARG 684 Cb -0.71 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.15 3fxx s ARG 684 CO 0.41 -0.30 0.85 -1.17 -0.81 0.00 0.00 175.30 174.28 3fxx s LEU 685 N 1.96 4.06 0.12 -0.88 2.96 -1.26 -1.49 118.68 124.15 3fxx s LEU 685 Ca 0.48 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.91 3fxx s LEU 685 Cb -0.18 -3.15 -0.13 0.00 0.50 0.00 0.00 46.19 43.22 3fxx s LEU 685 CO 0.18 -0.74 1.27 -0.33 -1.32 0.00 0.00 176.35 175.40 3fxx h GLU 686 N 8.33 0.41 0.00 1.98 4.39 -1.11 -3.48 114.58 125.10 3fxx h GLU 686 Ca -0.24 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 58.99 3fxx h GLU 686 Cb 1.09 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3fxx h GLU 686 CO 0.93 1.14 0.00 0.41 -1.16 0.00 0.00 179.01 180.33 3fxx n GLY 687 N 1.06 -1.62 3.23 -3.84 0.00 -1.04 -4.60 105.19 98.38 3fxx n GLY 687 Ca -0.07 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 3fxx n GLY 687 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fxx s VAL 688 N -2.84 1.09 -0.23 1.61 -7.23 0.25 -1.03 120.40 112.01 3fxx s VAL 688 Ca 0.00 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 3fxx s VAL 688 Cb 0.00 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.28 3fxx s VAL 688 CO 0.00 -0.69 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.28 3fxx s VAL 689 N -3.07 2.32 0.00 1.32 1.01 -0.22 0.03 120.40 121.79 3fxx s VAL 689 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.83 3fxx s VAL 689 Cb 0.01 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.18 3fxx s VAL 689 CO 0.00 0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.64 3fxx n THR 690 N 4.55 0.00 1.03 3.92 -2.24 -1.26 -1.07 114.28 119.21 3fxx n THR 690 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 3fxx n THR 690 Cb 0.46 -0.29 0.58 0.00 -2.10 0.00 0.00 70.33 68.98 3fxx n THR 690 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fxx n LYS 691 N -1.56 0.20 -4.29 -0.78 5.02 -1.26 -4.72 118.16 110.77 3fxx n LYS 691 Ca 0.00 0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 3fxx n LYS 691 Cb 0.24 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 3fxx n LYS 691 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fxx s SER 692 N -2.76 1.30 0.07 4.39 1.04 -1.26 -5.18 113.70 111.30 3fxx s SER 692 Ca 0.19 -1.28 0.08 0.00 0.48 0.00 0.00 55.95 55.41 3fxx s SER 692 Cb 0.16 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3fxx s SER 692 CO 0.41 -0.64 -0.21 -0.54 0.98 0.00 0.00 173.24 173.24 3fxx s LYS 693 N -3.96 1.28 0.42 4.02 1.02 -1.26 -3.94 119.74 117.32 3fxx s LYS 693 Ca 0.31 -1.04 -0.26 0.00 0.02 0.00 0.00 55.97 55.00 3fxx s LYS 693 Cb 0.07 -1.47 -0.09 0.00 -0.52 0.00 0.00 37.83 35.82 3fxx s LYS 693 CO 0.09 0.36 1.40 -2.14 -0.92 0.00 0.00 175.35 174.14 3fxx s PRO 694 N -1.49 3.87 0.36 -1.68 0.02 -1.26 -5.13 135.00 129.70 3fxx s PRO 694 Ca 0.07 2.37 -0.28 0.00 0.02 0.00 0.00 61.00 63.18 3fxx s PRO 694 Cb -0.09 -2.76 -0.10 0.00 0.02 0.00 0.00 34.50 31.57 3fxx s PRO 694 CO 0.03 -0.65 1.32 0.08 -0.33 0.00 0.00 177.00 177.45 3fxx s VAL 695 N -1.20 2.64 0.04 3.83 1.01 -1.25 -4.86 120.40 120.61 3fxx s VAL 695 Ca 0.58 0.62 0.03 0.00 0.00 0.00 0.00 61.98 63.20 3fxx s VAL 695 Cb -0.43 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3fxx s VAL 695 CO 0.55 0.13 -0.10 -0.04 0.00 0.00 0.00 175.10 175.64 3fxx s MET 696 N -1.99 0.64 -0.12 2.72 -1.94 -0.23 -1.19 119.30 117.20 3fxx s MET 696 Ca 0.52 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.83 3fxx s MET 696 Cb -0.39 -0.52 0.00 0.00 2.01 0.00 0.00 34.83 35.93 3fxx s MET 696 CO 0.52 0.12 -0.23 0.42 -0.01 0.00 0.00 175.02 175.84 3fxx s ILE 697 N -1.08 2.10 -0.18 2.53 1.01 -0.01 -1.06 121.20 124.51 3fxx s ILE 697 Ca -0.05 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 3fxx s ILE 697 Cb -0.08 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3fxx s ILE 697 CO 0.01 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.66 3fxx s VAL 698 N 0.52 2.52 0.27 2.92 1.01 -0.20 -0.88 120.40 126.57 3fxx s VAL 698 Ca -0.14 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.09 3fxx s VAL 698 Cb -0.17 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 3fxx s VAL 698 CO 0.05 0.51 -0.01 0.42 0.00 0.00 0.00 175.10 176.07 3fxx s THR 699 N 1.13 1.30 0.49 3.92 -4.23 -0.28 -0.49 115.64 117.47 3fxx s THR 699 Ca 0.01 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.22 3fxx s THR 699 Cb -0.14 -2.49 -0.07 0.00 1.34 0.00 0.00 72.50 71.14 3fxx s THR 699 CO -0.06 -0.24 1.33 -1.84 -0.54 0.00 0.00 174.62 173.27 3fxx n GLU 700 N -0.54 1.88 -2.84 3.99 0.28 -0.55 -0.71 120.64 122.14 3fxx n GLU 700 Ca -0.05 0.68 -0.40 0.00 -0.16 0.00 0.00 57.16 57.23 3fxx n GLU 700 Cb 0.64 -2.51 -0.05 0.00 1.43 0.00 0.00 31.44 30.95 3fxx n GLU 700 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3fxx s TYR 701 N -1.25 3.82 -0.36 -1.84 5.04 -1.10 -4.18 117.35 117.48 3fxx s TYR 701 Ca 0.66 1.69 0.03 0.00 -2.44 0.00 0.00 57.07 57.01 3fxx s TYR 701 Cb -0.45 -2.94 0.11 0.00 0.35 0.00 0.00 41.96 39.03 3fxx s TYR 701 CO 0.54 0.29 0.09 -1.64 -1.34 0.00 0.00 175.55 173.50 3fxx s MET 702 N -0.28 1.42 0.46 4.97 -1.94 -1.26 -4.92 119.30 117.76 3fxx s MET 702 Ca 0.42 -1.87 0.16 0.00 -1.71 0.00 0.00 55.69 52.70 3fxx s MET 702 Cb -0.23 -3.01 1.09 0.00 2.01 0.00 0.00 34.83 34.70 3fxx s MET 702 CO 0.27 -0.98 2.02 1.49 -0.01 0.00 0.00 175.02 177.81 3fxx h GLU 703 N 7.49 0.00 -0.41 2.03 4.81 -1.84 -1.79 114.58 124.87 3fxx h GLU 703 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3fxx h GLU 703 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3fxx h GLU 703 CO 0.53 0.16 0.00 0.09 -0.73 0.00 0.00 179.01 179.07 3fxx n ASN 704 N -4.25 2.79 0.00 1.04 3.02 -0.55 -4.95 115.26 112.36 3fxx n ASN 704 Ca -0.02 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3fxx n ASN 704 Cb 0.23 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3fxx n ASN 704 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxx n GLY 705 N 1.36 0.62 3.76 7.41 0.00 -0.68 -4.59 105.19 113.07 3fxx n GLY 705 Ca 0.18 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3fxx n GLY 705 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxx s SER 706 N -4.00 6.98 0.16 1.61 1.04 -1.26 -0.93 113.70 117.29 3fxx s SER 706 Ca 0.00 2.37 -0.11 0.00 0.48 0.00 0.00 55.95 58.68 3fxx s SER 706 Cb 0.00 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.53 3fxx s SER 706 CO 0.00 -0.36 1.62 0.25 0.98 0.00 0.00 173.24 175.73 3fxx h LEU 707 N 3.41 0.91 -0.23 2.42 5.85 -0.72 -1.64 115.31 125.31 3fxx h LEU 707 Ca -0.48 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 57.93 3fxx h LEU 707 Cb 1.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3fxx h LEU 707 CO 0.65 0.99 0.11 -2.24 -0.34 0.00 0.00 178.44 177.61 3fxx h ASP 708 N 0.81 0.30 -0.54 1.25 2.03 -1.82 -0.36 116.42 118.09 3fxx h ASP 708 Ca 0.15 -0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.32 3fxx h ASP 708 Cb 0.51 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 38.91 3fxx h ASP 708 CO 0.02 0.33 0.28 0.28 -1.03 0.00 0.00 179.24 179.13 3fxx h SER 709 N 0.24 0.68 -0.29 4.15 0.02 -1.90 -2.12 113.55 114.33 3fxx h SER 709 Ca 0.08 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3fxx h SER 709 Cb 0.12 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3fxx h SER 709 CO -0.01 0.59 0.17 0.15 -1.14 0.00 0.00 176.83 176.59 3fxx h PHE 710 N 0.72 0.33 -0.39 3.45 3.57 -1.04 -2.65 116.94 120.92 3fxx h PHE 710 Ca 0.19 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 3fxx h PHE 710 Cb 0.07 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3fxx h PHE 710 CO -0.01 0.20 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.14 3fxx h LEU 711 N 0.36 0.63 -2.02 0.59 3.38 -0.91 -2.44 115.31 114.91 3fxx h LEU 711 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3fxx h LEU 711 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3fxx h LEU 711 CO -0.04 0.74 -0.07 0.03 0.09 0.00 0.00 178.44 179.19 3fxx h ARG 712 N 0.61 0.00 0.00 1.13 3.08 -1.05 -0.78 114.38 117.37 3fxx h ARG 712 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3fxx h ARG 712 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3fxx h ARG 712 CO 0.02 0.07 0.00 0.87 -1.07 0.00 0.00 179.97 179.86 3fxx h LYS 713 N 0.00 0.00 -0.29 0.04 1.57 -1.11 -3.33 116.57 113.45 3fxx h LYS 713 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3fxx h LYS 713 Cb 0.14 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.17 3fxx h LYS 713 CO 0.01 0.00 -0.83 0.72 -0.57 0.00 0.00 179.45 178.78 3fxx n HIS 714 N -2.32 0.98 -1.67 -1.35 8.25 -0.32 -5.08 115.22 113.71 3fxx n HIS 714 Ca 0.04 -1.59 -0.52 0.00 -0.26 0.00 0.00 57.72 55.39 3fxx n HIS 714 Cb 0.36 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 3fxx n HIS 714 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3fxx n ASP 715 N -0.54 2.51 -1.46 0.41 2.03 -1.09 -0.98 116.55 117.42 3fxx n ASP 715 Ca 0.20 1.07 -0.19 0.00 0.52 0.00 0.00 54.79 56.39 3fxx n ASP 715 Cb 0.89 -1.24 -0.08 0.00 -0.72 0.00 0.00 41.12 39.97 3fxx n ASP 715 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fxx n ALA 716 N 4.57 -0.30 0.88 -1.67 0.00 -1.26 -4.90 120.51 117.83 3fxx n ALA 716 Ca 0.22 0.30 0.10 0.00 0.00 0.00 0.00 53.44 54.06 3fxx n ALA 716 Cb 0.20 -1.91 0.01 0.00 0.00 0.00 0.00 19.45 17.76 3fxx n ALA 716 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fxx n GLN 717 N -2.47 1.49 -4.15 0.00 6.02 -0.15 -4.95 117.38 113.17 3fxx n GLN 717 Ca -0.19 -1.06 -0.24 0.00 -0.01 0.00 0.00 57.00 55.51 3fxx n GLN 717 Cb 0.62 -1.40 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 3fxx n GLN 717 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3fxx s PHE 718 N -2.16 3.02 0.62 1.08 0.08 -1.26 -5.12 117.98 114.24 3fxx s PHE 718 Ca 0.18 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 57.00 3fxx s PHE 718 Cb 0.16 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3fxx s PHE 718 CO 0.46 0.54 1.03 0.95 -0.10 0.00 0.00 175.22 178.10 3fxx s THR 719 N -2.00 4.41 0.30 0.64 -4.23 -1.26 -4.93 115.64 108.56 3fxx s THR 719 Ca 0.31 0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 61.68 3fxx s THR 719 Cb -0.08 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.35 3fxx s THR 719 CO 0.23 -0.94 1.96 1.62 -0.54 0.00 0.00 174.62 176.95 3fxx h VAL 720 N -0.17 1.18 -0.50 2.29 3.04 -1.99 -2.14 116.25 117.97 3fxx h VAL 720 Ca -0.45 -0.38 -0.08 0.00 -1.01 0.00 0.00 66.70 64.79 3fxx h VAL 720 Cb 1.20 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 3fxx h VAL 720 CO 0.60 0.20 -0.02 0.40 -1.01 0.00 0.00 177.57 177.74 3fxx h ILE 721 N 1.09 1.25 -0.49 3.17 1.08 -1.96 0.48 117.51 122.13 3fxx h ILE 721 Ca 0.32 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3fxx h ILE 721 Cb -0.07 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 3fxx h ILE 721 CO -0.08 0.38 0.30 1.56 -0.69 0.00 0.00 178.15 179.62 3fxx h GLN 722 N 0.78 0.66 -0.64 2.37 4.20 -1.79 0.17 115.11 120.86 3fxx h GLN 722 Ca 0.15 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3fxx h GLN 722 Cb 0.50 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3fxx h GLN 722 CO 0.03 0.47 0.20 -0.07 -0.67 0.00 0.00 178.83 178.78 3fxx h LEU 723 N 0.65 0.93 -0.94 1.46 3.38 -0.92 -2.30 115.31 117.57 3fxx h LEU 723 Ca 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3fxx h LEU 723 Cb -0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3fxx h LEU 723 CO -0.03 0.89 0.19 0.58 0.09 0.00 0.00 178.44 180.16 3fxx h VAL 724 N 0.92 1.24 -0.67 1.22 2.07 -0.62 -1.47 116.25 118.93 3fxx h VAL 724 Ca 0.20 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.96 3fxx h VAL 724 Cb 0.30 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3fxx h VAL 724 CO -0.01 0.32 0.37 1.23 0.02 0.00 0.00 177.57 179.50 3fxx h GLY 725 N 1.04 0.99 0.97 2.17 0.00 -0.66 0.10 103.07 107.68 3fxx h GLY 725 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3fxx h GLY 725 CO -0.01 0.15 0.14 -0.33 0.00 0.00 0.00 176.54 176.48 3fxx h MET 726 N 0.68 0.30 -0.50 4.80 2.07 -0.83 -2.59 114.93 118.85 3fxx h MET 726 Ca 0.30 -0.03 -0.08 0.00 -2.07 0.00 0.00 59.70 57.83 3fxx h MET 726 Cb 0.20 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 3fxx h MET 726 CO -0.19 0.24 -0.01 -0.07 1.07 0.00 0.00 176.91 177.95 3fxx h LEU 727 N 0.28 0.82 -0.54 1.22 3.38 -0.84 -2.31 115.31 117.31 3fxx h LEU 727 Ca 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3fxx h LEU 727 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3fxx h LEU 727 CO -0.02 0.89 0.18 -0.09 0.09 0.00 0.00 178.44 179.49 3fxx h ARG 728 N 0.79 0.83 -0.24 1.13 1.12 -0.70 -1.04 114.38 116.27 3fxx h ARG 728 Ca 0.15 -0.17 0.03 0.00 -1.11 0.00 0.00 59.98 58.87 3fxx h ARG 728 Cb 0.48 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.29 3fxx h ARG 728 CO 0.02 0.75 0.07 0.78 -3.11 0.00 0.00 179.97 178.49 3fxx h GLY 729 N 0.74 0.29 0.90 2.80 0.00 -1.17 0.06 103.07 106.69 3fxx h GLY 729 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.48 3fxx h GLY 729 CO -0.01 0.02 0.14 -2.22 0.00 0.00 0.00 176.54 174.47 3fxx h ILE 730 N 0.18 1.00 -0.81 2.60 2.04 -1.23 -0.96 117.51 120.34 3fxx h ILE 730 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3fxx h ILE 730 Cb 0.08 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3fxx h ILE 730 CO -0.12 0.05 0.47 0.00 0.00 0.00 0.00 178.15 178.56 3fxx h ALA 731 N 1.13 1.31 -0.39 1.87 0.00 -0.88 -1.40 119.26 120.90 3fxx h ALA 731 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3fxx h ALA 731 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fxx h ALA 731 CO -0.07 0.58 -0.03 0.77 0.00 0.00 0.00 179.25 180.50 3fxx h SER 732 N 1.12 0.71 -0.62 0.00 0.02 -0.44 0.62 113.55 114.95 3fxx h SER 732 Ca 0.29 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3fxx h SER 732 Cb -0.03 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 3fxx h SER 732 CO -0.05 0.87 0.39 1.23 -1.14 0.00 0.00 176.83 178.12 3fxx h GLY 733 N 0.54 0.88 1.66 -3.77 0.00 -0.85 -2.41 103.07 99.13 3fxx h GLY 733 Ca 0.11 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 3fxx h GLY 733 CO 0.03 0.26 -0.36 -0.33 0.00 0.00 0.00 176.54 176.13 3fxx h MET 734 N 0.77 0.38 -0.59 4.80 2.86 -1.07 -0.56 114.93 121.52 3fxx h MET 734 Ca 0.25 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3fxx h MET 734 Cb -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3fxx h MET 734 CO -0.09 0.69 0.36 -0.22 1.06 0.00 0.00 176.91 178.71 3fxx h LYS 735 N 0.32 0.80 -0.20 1.72 3.11 -0.56 0.11 116.57 121.87 3fxx h LYS 735 Ca 0.04 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.76 3fxx h LYS 735 Cb 0.79 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 3fxx h LYS 735 CO 0.06 0.57 -0.04 -0.92 -2.81 0.00 0.00 179.45 176.32 3fxx h TYR 736 N 0.80 0.43 -0.52 1.91 3.20 -1.08 0.03 116.97 121.74 3fxx h TYR 736 Ca 0.21 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.07 3fxx h TYR 736 Cb -0.03 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 3fxx h TYR 736 CO -0.02 0.62 0.18 1.25 -1.64 0.00 0.00 178.16 178.55 3fxx h LEU 737 N 0.11 0.16 -0.50 2.82 6.46 -0.85 -0.55 115.31 122.97 3fxx h LEU 737 Ca 0.05 0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 3fxx h LEU 737 Cb 0.48 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 3fxx h LEU 737 CO 0.02 0.12 -0.08 0.77 -0.62 0.00 0.00 178.44 178.65 3fxx h SER 738 N 0.35 0.93 -0.65 1.25 4.64 -0.94 -2.44 113.55 116.69 3fxx h SER 738 Ca 0.26 -0.34 0.16 0.00 -0.47 0.00 0.00 61.79 61.39 3fxx h SER 738 Cb 0.29 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3fxx h SER 738 CO -0.27 1.06 0.45 0.44 -0.87 0.00 0.00 176.83 177.64 3fxx h ASP 739 N 0.79 0.17 -0.05 4.97 5.19 -0.22 -1.87 116.42 125.40 3fxx h ASP 739 Ca 0.13 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3fxx h ASP 739 Cb 0.62 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.11 3fxx h ASP 739 CO 0.04 0.09 0.00 0.23 -3.12 0.00 0.00 179.24 176.48 3fxx n MET 740 N -4.41 1.45 -0.60 3.56 2.81 -0.29 -4.92 117.12 114.71 3fxx n MET 740 Ca 0.12 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 3fxx n MET 740 Cb 0.60 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 3fxx n MET 740 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fxx n GLY 741 N 1.07 0.66 3.83 3.03 0.00 -0.70 -5.01 105.19 108.07 3fxx n GLY 741 Ca 0.19 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3fxx n GLY 741 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fxx s TYR 742 N -2.00 3.34 -0.15 1.61 2.02 -1.06 -0.54 117.35 120.56 3fxx s TYR 742 Ca 0.00 0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 56.86 3fxx s TYR 742 Cb 0.00 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3fxx s TYR 742 CO 0.00 0.56 -0.09 0.54 -1.57 0.00 0.00 175.55 174.99 3fxx s VAL 743 N -1.38 3.37 -0.00 0.71 0.11 0.40 -4.22 120.40 119.39 3fxx s VAL 743 Ca 0.30 -0.54 -0.22 0.00 -2.93 0.00 0.00 61.98 58.59 3fxx s VAL 743 Cb -0.12 -2.46 -0.19 0.00 -1.53 0.00 0.00 36.38 32.07 3fxx s VAL 743 CO 0.22 0.50 1.19 -0.74 -3.33 0.00 0.00 175.10 172.94 3fxx h HIS 744 N 6.95 0.34 0.00 1.54 2.76 -1.90 -0.51 115.15 124.33 3fxx h HIS 744 Ca -0.30 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3fxx h HIS 744 Cb 1.20 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.10 3fxx h HIS 744 CO 0.53 0.84 0.00 0.54 -1.30 0.00 0.00 177.93 178.53 3fxx n ARG 745 N -4.53 0.00 -0.34 5.26 1.74 -1.26 -2.54 116.66 115.00 3fxx n ARG 745 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3fxx n ARG 745 Cb 0.44 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 3fxx n ARG 745 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fxx n ASP 746 N 0.00 0.06 -4.59 0.55 2.03 -1.26 -4.72 116.55 108.62 3fxx n ASP 746 Ca 0.00 -1.72 -0.50 0.00 0.52 0.00 0.00 54.79 53.10 3fxx n ASP 746 Cb 0.00 -0.14 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 3fxx n ASP 746 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3fxx n LEU 747 N -0.03 2.83 -3.49 -2.67 7.94 -1.26 -4.79 117.00 115.52 3fxx n LEU 747 Ca 0.00 0.70 -0.14 0.00 -1.11 0.00 0.00 56.01 55.46 3fxx n LEU 747 Cb 0.63 -1.32 -0.04 0.00 0.53 0.00 0.00 43.42 43.22 3fxx n LEU 747 CO 0.00 -0.41 0.50 0.00 -1.11 0.00 0.00 177.39 176.36 3fxx s ALA 748 N 5.67 -1.74 0.39 1.96 0.00 -1.26 -4.70 121.76 122.08 3fxx s ALA 748 Ca 1.00 1.04 0.08 0.00 0.00 0.00 0.00 51.96 54.08 3fxx s ALA 748 Cb -0.76 0.26 0.82 0.00 0.00 0.00 0.00 23.12 23.45 3fxx s ALA 748 CO 0.51 -0.54 1.99 0.00 0.00 0.00 0.00 175.76 177.72 3fxx h ALA 749 N 2.49 1.76 0.00 0.00 0.00 -1.90 0.91 119.26 122.53 3fxx h ALA 749 Ca -0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fxx h ALA 749 Cb 1.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3fxx h ALA 749 CO 0.37 0.14 -0.00 0.07 0.00 0.00 0.00 179.25 179.83 3fxx h ARG 750 N 0.64 0.00 -0.50 0.00 0.11 -1.94 -2.12 114.38 110.57 3fxx h ARG 750 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3fxx h ARG 750 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 3fxx h ARG 750 CO -0.08 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.08 3fxx n ASN 751 N -3.11 4.57 -4.42 0.08 3.02 0.31 -4.74 115.26 110.96 3fxx n ASN 751 Ca -0.02 -2.65 -0.33 0.00 -0.03 0.00 0.00 54.58 51.55 3fxx n ASN 751 Cb 0.14 -0.55 -0.14 0.00 -0.61 0.00 0.00 39.78 38.62 3fxx n ASN 751 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fxx s ILE 752 N -2.20 3.23 0.09 2.41 -1.09 -0.80 -1.05 121.20 121.79 3fxx s ILE 752 Ca 0.47 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 3fxx s ILE 752 Cb 0.33 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 3fxx s ILE 752 CO 0.18 0.53 0.09 -0.76 -1.23 0.00 0.00 174.94 173.75 3fxx s LEU 753 N 0.11 3.82 -0.03 2.97 1.43 -0.56 -0.40 118.68 126.01 3fxx s LEU 753 Ca -0.05 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3fxx s LEU 753 Cb -0.15 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.59 3fxx s LEU 753 CO 0.04 0.16 -0.08 -0.51 0.23 0.00 0.00 176.35 176.18 3fxx s ILE 754 N -1.44 0.76 0.25 -0.59 2.07 -0.11 -1.10 121.20 121.04 3fxx s ILE 754 Ca 0.30 -0.33 0.02 0.00 -1.41 0.00 0.00 60.65 59.23 3fxx s ILE 754 Cb -0.12 -0.69 0.05 0.00 0.13 0.00 0.00 42.46 41.83 3fxx s ILE 754 CO 0.22 0.25 0.34 -0.46 -1.91 0.00 0.00 174.94 173.38 3fxx n ASN 755 N 3.42 0.70 0.28 4.50 0.23 -0.61 -1.48 115.26 122.30 3fxx n ASN 755 Ca -0.19 -1.53 0.13 0.00 -0.53 0.00 0.00 54.58 52.45 3fxx n ASN 755 Cb 0.54 -0.20 0.80 0.00 -2.08 0.00 0.00 39.78 38.84 3fxx n ASN 755 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3fxx h SER 756 N -0.07 0.00 -0.60 0.53 4.64 -1.91 -1.53 113.55 114.61 3fxx h SER 756 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3fxx h SER 756 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3fxx h SER 756 CO 0.15 0.07 0.00 0.59 -0.87 0.00 0.00 176.83 176.76 3fxx n ASN 757 N -3.79 4.92 -0.59 4.97 3.02 -1.26 -4.93 115.26 117.60 3fxx n ASN 757 Ca -0.02 -2.59 -0.08 0.00 -0.03 0.00 0.00 54.58 51.86 3fxx n ASN 757 Cb 0.16 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 3fxx n ASN 757 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fxx n LEU 758 N 0.89 -0.41 -4.71 3.41 4.77 -0.57 -5.00 117.00 115.38 3fxx n LEU 758 Ca 0.26 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 3fxx n LEU 758 Cb 0.96 -1.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 3fxx n LEU 758 CO 0.25 -0.54 0.86 -0.69 -1.33 0.00 0.00 177.39 175.94 3fxx s VAL 759 N -2.14 4.21 -0.10 4.08 1.01 -1.26 -4.63 120.40 121.56 3fxx s VAL 759 Ca 0.00 1.58 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 3fxx s VAL 759 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3fxx s VAL 759 CO 0.00 0.10 0.09 0.00 0.00 0.00 0.00 175.10 175.29 3fxx s LYS 761 N -0.99 0.05 0.16 0.00 1.02 -0.26 -4.27 119.74 115.45 3fxx s LYS 761 Ca 0.15 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 3fxx s LYS 761 Cb -0.12 -0.05 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 3fxx s LYS 761 CO 0.04 -0.06 1.32 0.08 -0.92 0.00 0.00 175.35 175.80 3fxx s VAL 762 N 0.41 3.31 0.13 3.17 1.01 -0.28 -1.50 120.40 126.65 3fxx s VAL 762 Ca -0.03 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.00 3fxx s VAL 762 Cb -0.05 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3fxx s VAL 762 CO -0.01 0.13 0.07 -1.54 0.00 0.00 0.00 175.10 173.75 3fxx n SER 763 N 3.09 0.42 -3.01 3.32 3.41 -0.22 -1.43 113.62 119.21 3fxx n SER 763 Ca 0.08 -1.77 -0.12 0.00 -0.26 0.00 0.00 58.87 56.79 3fxx n SER 763 Cb 0.43 0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.86 3fxx n SER 763 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fxx n ASP 764 N -2.19 -7.46 -1.41 4.04 -0.08 -1.26 -4.80 116.55 103.39 3fxx n ASP 764 Ca 0.00 0.30 -0.01 0.00 -1.51 0.00 0.00 54.79 53.58 3fxx n ASP 764 Cb 0.21 -4.68 0.20 0.00 2.34 0.00 0.00 41.12 39.19 3fxx n ASP 764 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3fxx n PHE 765 N -0.55 1.35 0.20 -0.67 3.72 -1.26 -4.50 117.46 115.75 3fxx n PHE 765 Ca 0.06 -0.64 0.10 0.00 -0.05 0.00 0.00 57.45 56.91 3fxx n PHE 765 Cb 0.51 -0.42 0.63 0.00 -0.94 0.00 0.00 39.48 39.26 3fxx n PHE 765 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3fxx h GLY 766 N 3.87 0.05 -1.00 1.37 0.00 -1.91 -2.45 103.07 103.00 3fxx h GLY 766 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3fxx h GLY 766 CO 0.38 0.02 -0.10 1.04 0.00 0.00 0.00 176.54 177.87 3fxx n LEU 767 N -4.51 1.97 -4.77 3.11 4.77 -1.26 -5.03 117.00 111.28 3fxx n LEU 767 Ca -0.00 -0.92 -0.37 0.00 -0.03 0.00 0.00 56.01 54.69 3fxx n LEU 767 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3fxx n LEU 767 CO 0.35 0.36 0.82 -0.55 -1.33 0.00 0.00 177.39 177.03 3fxx s SER 768 N -1.41 6.30 0.09 -1.43 0.15 -0.92 -4.65 113.70 111.84 3fxx s SER 768 Ca 0.15 2.27 -0.11 0.00 0.70 0.00 0.00 55.95 58.96 3fxx s SER 768 Cb 0.12 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 3fxx s SER 768 CO 0.24 -0.82 0.26 0.00 1.20 0.00 0.00 173.24 174.12 3fxx s ARG 769 N -2.62 0.90 0.31 5.44 1.70 -0.20 -5.00 118.95 119.48 3fxx s ARG 769 Ca 0.62 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 3fxx s ARG 769 Cb -0.28 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.38 3fxx s ARG 769 CO 0.34 -0.31 1.19 0.08 -1.08 0.00 0.00 175.30 175.52 3fxx s VAL 770 N -3.73 3.15 -0.51 4.99 1.01 -1.26 -0.45 120.40 123.59 3fxx s VAL 770 Ca 0.03 1.14 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 3fxx s VAL 770 Cb 0.04 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3fxx s VAL 770 CO -0.11 0.26 1.43 -0.76 0.00 0.00 0.00 175.10 175.93 3fxx s LEU 771 N -1.68 3.46 0.21 3.92 1.43 0.30 -4.85 118.68 121.47 3fxx s LEU 771 Ca 0.47 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.91 3fxx s LEU 771 Cb -0.35 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.67 3fxx s LEU 771 CO 0.46 -1.64 0.45 -1.83 0.23 0.00 0.00 176.35 174.02 3fxx s GLU 772 N 5.38 1.41 0.00 1.70 -1.05 -1.26 -5.03 118.70 119.85 3fxx s GLU 772 Ca 0.56 -1.10 0.13 0.00 -0.15 0.00 0.00 54.97 54.40 3fxx s GLU 772 Cb -0.12 0.47 0.75 0.00 -0.44 0.00 0.00 34.13 34.79 3fxx s GLU 772 CO 0.27 -0.58 1.24 -0.25 0.95 0.00 0.00 175.26 176.90 3fxx n ASP 773 N -0.33 0.00 -1.92 0.83 8.00 -1.26 -5.21 116.55 116.67 3fxx n ASP 773 Ca -0.06 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3fxx n ASP 773 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3fxx n ASP 773 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3fxx n ASP 774 N -0.80 0.00 0.00 -2.24 2.03 -1.26 -5.32 116.55 108.96 3fxx n ASP 774 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 3fxx n ASP 774 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 3fxx n ASP 774 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fxx n GLY 784 N 3.88 1.01 3.76 0.27 0.00 -1.26 -5.13 105.19 107.74 3fxx n GLY 784 Ca 0.00 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 3fxx n GLY 784 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fxx s LYS 785 N -1.40 3.50 0.14 1.61 1.02 -1.26 -5.04 119.74 118.31 3fxx s LYS 785 Ca 0.00 1.86 0.09 0.00 0.02 0.00 0.00 55.97 57.94 3fxx s LYS 785 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3fxx s LYS 785 CO 0.00 -0.79 -0.16 0.96 -0.92 0.00 0.00 175.35 174.44 3fxx s ILE 786 N -1.53 2.91 -1.27 2.17 -4.36 -1.26 -5.04 121.20 112.82 3fxx s ILE 786 Ca 0.68 -1.59 -0.18 0.00 -0.26 0.00 0.00 60.65 59.29 3fxx s ILE 786 Cb -0.31 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.05 3fxx s ILE 786 CO 0.36 0.02 1.89 -0.81 0.24 0.00 0.00 174.94 176.64 3fxx n PRO 787 N 0.54 2.71 -0.17 0.37 -0.04 -1.26 -4.84 135.00 132.31 3fxx n PRO 787 Ca -0.14 -2.89 -0.01 0.00 -0.04 0.00 0.00 63.50 60.42 3fxx n PRO 787 Cb 0.54 -3.46 0.06 0.00 -0.04 0.00 0.00 33.50 30.60 3fxx n PRO 787 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3fxx h ILE 788 N 5.28 0.52 0.00 0.52 2.04 -1.96 0.30 117.51 124.21 3fxx h ILE 788 Ca 0.43 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.27 3fxx h ILE 788 Cb 0.82 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3fxx h ILE 788 CO 1.54 0.01 -0.00 0.03 0.00 0.00 0.00 178.15 179.73 3fxx h ARG 789 N 0.07 0.00 -0.01 2.37 3.08 -1.95 -2.18 114.38 115.77 3fxx h ARG 789 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3fxx h ARG 789 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3fxx h ARG 789 CO -0.50 0.00 -0.65 0.91 -1.07 0.00 0.00 179.97 178.67 3fxx n TRP 790 N -3.11 0.00 -3.69 3.04 8.01 0.04 -4.98 117.44 116.75 3fxx n TRP 790 Ca -0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.80 3fxx n TRP 790 Cb 0.08 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 3fxx n TRP 790 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 3fxx s THR 791 N -2.46 5.24 0.70 -0.99 2.01 -0.82 -3.83 115.64 115.49 3fxx s THR 791 Ca 0.11 0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 3fxx s THR 791 Cb 0.14 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 69.09 3fxx s THR 791 CO 0.62 0.46 1.15 -0.94 -0.69 0.00 0.00 174.62 175.22 3fxx s SER 792 N -1.42 4.66 0.28 3.53 1.04 -1.26 -4.79 113.70 115.73 3fxx s SER 792 Ca 0.25 2.15 -0.04 0.00 0.48 0.00 0.00 55.95 58.79 3fxx s SER 792 Cb -0.14 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.77 3fxx s SER 792 CO 0.13 -1.94 1.95 1.55 0.98 0.00 0.00 173.24 175.91 3fxx h PRO 793 N -0.17 1.20 -0.11 4.02 0.13 -1.96 -0.78 132.00 134.32 3fxx h PRO 793 Ca -0.47 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.49 3fxx h PRO 793 Cb 1.27 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3fxx h PRO 793 CO 0.52 0.79 -0.37 1.05 -0.23 0.00 0.00 178.00 179.77 3fxx h GLU 794 N 1.24 0.23 -0.24 0.86 9.09 -1.91 0.13 114.58 123.98 3fxx h GLU 794 Ca 0.33 -0.10 -0.18 0.00 0.05 0.00 0.00 59.36 59.47 3fxx h GLU 794 Cb -0.14 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 26.95 3fxx h GLU 794 CO -0.07 0.57 -0.56 0.00 0.05 0.00 0.00 179.01 179.01 3fxx h ALA 795 N 1.42 0.56 -0.57 1.06 0.00 -1.45 -2.08 119.26 118.22 3fxx h ALA 795 Ca 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3fxx h ALA 795 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fxx h ALA 795 CO 0.06 0.69 0.21 0.82 0.00 0.00 0.00 179.25 181.03 3fxx h ILE 796 N 0.56 1.23 -0.13 0.00 2.04 -0.98 -0.98 117.51 119.26 3fxx h ILE 796 Ca 0.01 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 3fxx h ILE 796 Cb 1.14 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3fxx h ILE 796 CO 0.12 0.28 -0.28 0.00 0.00 0.00 0.00 178.15 178.26 3fxx h ALA 797 N 1.07 0.21 -0.02 1.87 0.00 -0.85 -3.40 119.26 118.13 3fxx h ALA 797 Ca 0.19 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3fxx h ALA 797 Cb 0.22 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 17.72 3fxx h ALA 797 CO -0.01 0.22 -0.68 2.48 0.00 0.00 0.00 179.25 181.26 3fxx n TYR 798 N -4.42 -0.03 -2.51 0.00 4.11 -0.80 -5.02 117.16 108.49 3fxx n TYR 798 Ca -0.07 -0.63 -0.21 0.00 -0.00 0.00 0.00 57.90 57.00 3fxx n TYR 798 Cb 0.46 0.21 -0.00 0.00 -0.00 0.00 0.00 39.34 40.01 3fxx n TYR 798 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3fxx n ARG 799 N 0.14 -2.26 -2.59 -3.48 1.74 -0.37 -4.91 116.66 104.93 3fxx n ARG 799 Ca -0.10 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.53 3fxx n ARG 799 Cb 0.92 -5.63 -0.02 0.00 -1.02 0.00 0.00 32.46 26.71 3fxx n ARG 799 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3fxx s LYS 800 N -5.15 3.75 -0.22 5.56 2.47 -1.12 -4.91 119.74 120.11 3fxx s LYS 800 Ca 0.06 -1.50 -0.13 0.00 -1.56 0.00 0.00 55.97 52.84 3fxx s LYS 800 Cb -0.03 -5.41 -0.05 0.00 -1.46 0.00 0.00 37.83 30.89 3fxx s LYS 800 CO 0.07 -2.20 0.26 -0.06 0.16 0.00 0.00 175.35 173.58 3fxx s PHE 801 N 4.56 3.34 0.27 4.03 0.08 -1.26 -3.58 117.98 125.42 3fxx s PHE 801 Ca 0.48 0.39 -0.02 0.00 0.12 0.00 0.00 56.93 57.91 3fxx s PHE 801 Cb 0.01 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 3fxx s PHE 801 CO -0.03 0.03 0.30 0.95 -0.10 0.00 0.00 175.22 176.37 3fxx s THR 802 N 1.18 0.00 0.43 0.64 -4.23 -1.26 -4.99 115.64 107.41 3fxx s THR 802 Ca 0.13 -1.81 0.14 0.00 -1.18 0.00 0.00 61.69 58.96 3fxx s THR 802 Cb -0.14 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.55 3fxx s THR 802 CO 0.06 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 176.87 3fxx h SER 803 N 2.34 0.39 0.33 3.99 4.64 -1.97 -1.01 113.55 122.26 3fxx h SER 803 Ca -0.30 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 3fxx h SER 803 Cb 1.24 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3fxx h SER 803 CO 0.43 0.23 -0.16 0.00 -0.87 0.00 0.00 176.83 176.46 3fxx h ALA 804 N 1.68 1.39 -0.00 5.18 0.00 -1.94 -0.47 119.26 125.10 3fxx h ALA 804 Ca 0.30 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3fxx h ALA 804 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3fxx h ALA 804 CO -0.09 0.20 -0.85 0.66 0.00 0.00 0.00 179.25 179.17 3fxx h SER 805 N 0.00 0.25 -0.37 0.00 4.64 -1.51 -2.23 113.55 114.32 3fxx h SER 805 Ca -0.00 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 3fxx h SER 805 Cb 0.36 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3fxx h SER 805 CO 0.02 0.99 0.04 0.44 -0.87 0.00 0.00 176.83 177.44 3fxx h ASP 806 N 0.11 0.68 -0.72 4.97 3.32 -1.07 -2.50 116.42 121.22 3fxx h ASP 806 Ca -0.04 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3fxx h ASP 806 Cb 1.47 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3fxx h ASP 806 CO 0.13 0.73 0.31 0.58 -1.72 0.00 0.00 179.24 179.27 3fxx h VAL 807 N 0.69 1.24 -0.38 -1.35 2.07 -0.93 0.11 116.25 117.71 3fxx h VAL 807 Ca 0.14 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3fxx h VAL 807 Cb 0.37 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 3fxx h VAL 807 CO 0.01 0.30 -0.18 -0.25 0.02 0.00 0.00 177.57 177.47 3fxx h TRP 808 N 1.02 -0.44 -0.96 1.57 2.91 -1.17 -0.49 115.95 118.40 3fxx h TRP 808 Ca 0.24 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.30 3fxx h TRP 808 Cb 0.17 0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 29.02 3fxx h TRP 808 CO 0.01 -0.26 0.59 0.77 -1.03 0.00 0.00 178.44 178.52 3fxx h SER 809 N -0.11 1.14 -0.72 2.65 0.02 -0.97 -1.36 113.55 114.20 3fxx h SER 809 Ca 0.19 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3fxx h SER 809 Cb 0.40 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 3fxx h SER 809 CO -0.45 0.87 0.42 0.22 -1.14 0.00 0.00 176.83 176.76 3fxx h TYR 810 N 1.32 0.78 -0.95 3.45 3.20 -0.13 0.57 116.97 125.22 3fxx h TYR 810 Ca 0.34 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.35 3fxx h TYR 810 Cb -0.07 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 37.87 3fxx h TYR 810 CO 0.00 0.39 0.58 0.78 -1.64 0.00 0.00 178.16 178.28 3fxx h GLY 811 N 0.79 1.53 0.91 1.82 0.00 0.01 0.17 103.07 108.29 3fxx h GLY 811 Ca 0.31 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3fxx h GLY 811 CO -0.17 0.15 0.03 -2.22 0.00 0.00 0.00 176.54 174.34 3fxx h ILE 812 N 0.93 1.25 -0.90 2.60 1.08 -0.65 -1.71 117.51 120.11 3fxx h ILE 812 Ca 0.47 -0.90 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 3fxx h ILE 812 Cb 0.45 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 3fxx h ILE 812 CO -0.26 0.30 0.58 0.58 -0.69 0.00 0.00 178.15 178.66 3fxx h VAL 813 N 0.42 1.14 -0.43 1.67 2.07 -0.22 0.23 116.25 121.13 3fxx h VAL 813 Ca 0.10 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.29 3fxx h VAL 813 Cb 0.40 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 3fxx h VAL 813 CO 0.01 0.20 0.16 0.25 0.02 0.00 0.00 177.57 178.22 3fxx h LEU 814 N 1.12 0.18 -0.35 2.57 5.85 -0.44 0.14 115.31 124.38 3fxx h LEU 814 Ca 0.36 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 3fxx h LEU 814 Cb 0.02 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3fxx h LEU 814 CO -0.12 0.14 0.18 -0.25 -0.34 0.00 0.00 178.44 178.05 3fxx h TRP 815 N 0.33 0.48 -0.66 1.25 7.01 -0.58 -1.34 115.95 122.45 3fxx h TRP 815 Ca 0.20 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.25 3fxx h TRP 815 Cb 0.18 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 3fxx h TRP 815 CO -0.15 0.40 0.35 0.93 -2.79 0.00 0.00 178.44 177.18 3fxx h GLU 816 N 0.43 0.63 -0.12 2.65 5.08 0.15 -0.80 114.58 122.60 3fxx h GLU 816 Ca 0.12 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3fxx h GLU 816 Cb 0.08 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3fxx h GLU 816 CO -0.02 0.41 -0.01 0.28 -1.00 0.00 0.00 179.01 178.67 3fxx h VAL 817 N 0.64 1.27 0.00 3.13 2.07 -0.59 0.24 116.25 123.02 3fxx h VAL 817 Ca 0.30 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3fxx h VAL 817 Cb 0.22 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3fxx h VAL 817 CO -0.20 0.25 0.00 0.24 0.02 0.00 0.00 177.57 177.89 3fxx h MET 818 N -0.06 0.00 -0.58 1.57 2.86 -1.06 -1.65 114.93 116.01 3fxx h MET 818 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3fxx h MET 818 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3fxx h MET 818 CO 0.01 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.85 3fxx n SER 819 N -2.79 4.96 -4.05 1.22 3.41 -0.32 -4.71 113.62 111.34 3fxx n SER 819 Ca 0.00 -2.65 -0.31 0.00 -0.26 0.00 0.00 58.87 55.65 3fxx n SER 819 Cb 0.23 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 3fxx n SER 819 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fxx n TYR 820 N 0.78 -1.87 -0.80 7.33 4.01 -0.62 -2.31 117.16 123.69 3fxx n TYR 820 Ca 0.26 0.81 0.00 0.00 -0.16 0.00 0.00 57.90 58.81 3fxx n TYR 820 Cb 0.98 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 36.52 3fxx n TYR 820 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fxx n GLY 821 N -1.64 0.55 3.74 2.72 0.00 0.80 -3.00 105.19 108.37 3fxx n GLY 821 Ca -0.05 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 3fxx n GLY 821 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fxx s GLU 822 N -1.61 2.89 0.06 1.61 2.56 -0.98 -4.86 118.70 118.37 3fxx s GLU 822 Ca 0.00 2.02 -0.31 0.00 0.00 0.00 0.00 54.97 56.68 3fxx s GLU 822 Cb 0.00 -2.00 -0.06 0.00 2.00 0.00 0.00 34.13 34.07 3fxx s GLU 822 CO 0.00 -1.32 1.29 0.50 -0.56 0.00 0.00 175.26 175.17 3fxx s ARG 823 N -3.21 4.37 0.15 4.30 3.52 -1.26 -4.74 118.95 122.08 3fxx s ARG 823 Ca 0.77 1.88 -0.34 0.00 -0.13 0.00 0.00 55.73 57.91 3fxx s ARG 823 Cb -0.36 -3.37 -0.15 0.00 -1.56 0.00 0.00 34.95 29.52 3fxx s ARG 823 CO 0.39 -0.38 1.48 -2.30 -0.81 0.00 0.00 175.30 173.69 3fxx n PRO 824 N 4.27 1.84 -1.40 5.12 -0.02 -1.26 -0.73 135.00 142.81 3fxx n PRO 824 Ca 0.10 0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 62.11 3fxx n PRO 824 Cb 0.45 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 3fxx n PRO 824 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fxx n TYR 825 N 2.92 0.00 0.00 6.00 4.01 -1.26 -4.77 117.16 124.07 3fxx n TYR 825 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3fxx n TYR 825 Cb 0.26 -2.66 0.00 0.00 -0.31 0.00 0.00 39.34 36.63 3fxx n TYR 825 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3fxx n TRP 826 N -2.45 0.00 -1.25 -0.72 8.01 0.09 -1.40 117.44 119.71 3fxx n TRP 826 Ca -0.14 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 55.99 3fxx n TRP 826 Cb 0.52 0.00 0.23 0.00 -2.01 0.00 0.00 31.31 30.05 3fxx n TRP 826 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3fxx n GLU 827 N 14.00 2.48 -1.69 -0.99 -0.58 -1.26 -4.87 120.64 127.73 3fxx n GLU 827 Ca 0.00 -3.07 -0.39 0.00 -0.42 0.00 0.00 57.16 53.28 3fxx n GLU 827 Cb 0.00 -1.97 0.04 0.00 -0.57 0.00 0.00 31.44 28.94 3fxx n GLU 827 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3fxx n MET 828 N -0.83 1.44 -2.05 3.49 2.81 -0.50 -4.93 117.12 116.55 3fxx n MET 828 Ca 0.38 0.53 -0.37 0.00 -1.81 0.00 0.00 57.70 56.44 3fxx n MET 828 Cb 1.21 -2.39 0.02 0.00 -0.71 0.00 0.00 33.22 31.34 3fxx n MET 828 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3fxx s SER 829 N -0.97 5.51 0.38 7.83 1.04 -1.26 -4.83 113.70 121.40 3fxx s SER 829 Ca 0.71 2.43 0.09 0.00 0.48 0.00 0.00 55.95 59.67 3fxx s SER 829 Cb -0.44 -2.61 0.85 0.00 0.10 0.00 0.00 66.02 63.92 3fxx s SER 829 CO 0.50 -1.38 1.92 0.78 0.98 0.00 0.00 173.24 176.04 3fxx h ASN 830 N 1.35 0.59 -0.48 7.02 2.35 -1.99 -1.05 115.58 123.36 3fxx h ASN 830 Ca -0.50 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.19 3fxx h ASN 830 Cb 1.28 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 3fxx h ASN 830 CO 0.57 0.34 0.03 0.06 -1.65 0.00 0.00 177.43 176.78 3fxx h GLN 831 N 0.64 0.89 -0.08 0.81 3.07 -2.00 -1.16 115.11 117.28 3fxx h GLN 831 Ca 0.36 -0.24 -0.17 0.00 0.09 0.00 0.00 58.65 58.69 3fxx h GLN 831 Cb 0.54 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 3fxx h GLN 831 CO -0.14 0.87 -0.67 -0.44 0.09 0.00 0.00 178.83 178.54 3fxx h ASP 832 N 0.83 0.41 -0.42 0.06 3.32 -1.75 -1.58 116.42 117.30 3fxx h ASP 832 Ca 0.16 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.97 3fxx h ASP 832 Cb 0.45 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3fxx h ASP 832 CO 0.02 0.97 0.26 0.58 -1.72 0.00 0.00 179.24 179.34 3fxx h VAL 833 N 0.25 1.06 -0.06 -1.35 2.07 -0.88 0.11 116.25 117.45 3fxx h VAL 833 Ca -0.02 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3fxx h VAL 833 Cb 1.22 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3fxx h VAL 833 CO 0.11 0.09 0.02 0.40 0.02 0.00 0.00 177.57 178.22 3fxx h ILE 834 N 0.52 1.16 -0.04 4.57 2.04 -1.14 -1.96 117.51 122.66 3fxx h ILE 834 Ca 0.17 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3fxx h ILE 834 Cb -0.00 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3fxx h ILE 834 CO -0.07 0.13 0.01 0.50 0.00 0.00 0.00 178.15 178.72 3fxx h LYS 835 N -0.07 0.07 -0.17 2.37 1.63 -1.19 -2.17 116.57 117.03 3fxx h LYS 835 Ca 0.02 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3fxx h LYS 835 Cb 0.19 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3fxx h LYS 835 CO -0.00 0.28 0.05 0.00 -3.45 0.00 0.00 179.45 176.33 3fxx h ALA 836 N 0.78 0.18 -0.32 5.00 0.00 -0.79 -1.17 119.26 122.94 3fxx h ALA 836 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fxx h ALA 836 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fxx h ALA 836 CO 0.00 -0.39 0.17 0.28 0.00 0.00 0.00 179.25 179.31 3fxx h VAL 837 N 0.13 1.14 -0.83 0.00 2.07 -1.38 -1.03 116.25 116.34 3fxx h VAL 837 Ca 0.07 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3fxx h VAL 837 Cb 0.05 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3fxx h VAL 837 CO -0.08 0.15 0.54 -0.78 0.02 0.00 0.00 177.57 177.41 3fxx h ASP 838 N 0.39 0.75 0.68 0.57 3.58 -1.17 -0.70 116.42 120.52 3fxx h ASP 838 Ca 0.11 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3fxx h ASP 838 Cb 0.08 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3fxx h ASP 838 CO -0.02 0.46 0.00 -0.62 -2.88 0.00 0.00 179.24 176.19 3fxx n GLU 839 N -4.50 0.05 0.00 0.28 1.02 -0.46 -4.86 120.64 112.16 3fxx n GLU 839 Ca 0.13 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 3fxx n GLU 839 Cb 0.27 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3fxx n GLU 839 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fxx n GLY 840 N 0.34 1.05 3.79 0.62 0.00 -0.27 -4.97 105.19 105.75 3fxx n GLY 840 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3fxx n GLY 840 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fxx s TYR 841 N -2.00 3.35 0.07 1.61 2.02 -0.46 -0.97 117.35 120.98 3fxx s TYR 841 Ca 0.00 1.66 0.02 0.00 -0.37 0.00 0.00 57.07 58.38 3fxx s TYR 841 Cb 0.00 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.52 3fxx s TYR 841 CO 0.00 -0.32 -0.07 1.03 -1.57 0.00 0.00 175.55 174.62 3fxx s ARG 842 N -2.64 0.70 0.36 -0.62 1.81 0.15 -4.16 118.95 114.54 3fxx s ARG 842 Ca 0.58 -1.08 -0.28 0.00 -1.72 0.00 0.00 55.73 53.23 3fxx s ARG 842 Cb -0.17 -0.24 -0.12 0.00 -0.45 0.00 0.00 34.95 33.97 3fxx s ARG 842 CO 0.22 0.01 1.35 1.28 -0.68 0.00 0.00 175.30 177.48 3fxx n LEU 843 N 0.63 3.94 -4.86 2.53 4.77 -1.26 -0.33 117.00 122.41 3fxx n LEU 843 Ca -0.17 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 56.72 3fxx n LEU 843 Cb 0.58 -1.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.20 3fxx n LEU 843 CO 0.26 -0.30 0.74 -2.16 -1.33 0.00 0.00 177.39 174.60 3fxx s PRO 844 N -1.96 2.72 0.23 3.23 0.04 -1.26 -4.71 135.00 133.28 3fxx s PRO 844 Ca 0.55 0.53 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 3fxx s PRO 844 Cb -0.54 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 31.89 3fxx s PRO 844 CO 0.63 -1.15 1.63 -2.14 0.04 0.00 0.00 177.00 176.00 3fxx s PRO 845 N -5.29 4.15 0.78 0.56 0.02 -1.26 -4.97 135.00 129.00 3fxx s PRO 845 Ca 0.59 2.52 -0.14 0.00 0.02 0.00 0.00 61.00 63.98 3fxx s PRO 845 Cb -0.12 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.36 3fxx s PRO 845 CO 0.53 -0.66 0.98 -2.30 -0.33 0.00 0.00 177.00 175.22 3fxx n PRO 846 N 3.31 0.27 -1.70 5.54 -0.02 -1.26 -4.90 135.00 136.24 3fxx n PRO 846 Ca 0.12 0.15 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 3fxx n PRO 846 Cb 0.37 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3fxx n PRO 846 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3fxx n MET 847 N -2.38 2.39 -2.44 -0.52 1.56 -1.26 -1.82 117.12 112.66 3fxx n MET 847 Ca 0.12 0.86 -0.20 0.00 -0.27 0.00 0.00 57.70 58.21 3fxx n MET 847 Cb 0.50 -2.63 -0.01 0.00 2.15 0.00 0.00 33.22 33.24 3fxx n MET 847 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3fxx n ASP 848 N 3.12 -5.73 -4.69 6.12 8.00 -1.26 -4.95 116.55 117.16 3fxx n ASP 848 Ca 0.14 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 3fxx n ASP 848 Cb 0.32 -4.74 -0.03 0.00 -0.02 0.00 0.00 41.12 36.66 3fxx n ASP 848 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fxx n PRO 850 N 5.08 1.96 -0.31 0.00 -0.02 -1.26 -0.78 135.00 139.66 3fxx n PRO 850 Ca 0.10 0.69 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 3fxx n PRO 850 Cb 0.48 -2.28 0.27 0.00 -0.02 0.00 0.00 33.50 31.95 3fxx n PRO 850 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fxx h ALA 851 N 3.19 1.40 -0.95 3.55 0.00 -1.16 -0.93 119.26 124.36 3fxx h ALA 851 Ca -0.45 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3fxx h ALA 851 Cb 1.29 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 3fxx h ALA 851 CO 0.68 -0.14 0.60 0.00 0.00 0.00 0.00 179.25 180.38 3fxx h ALA 852 N 1.61 1.35 0.13 0.00 0.00 -1.88 -0.66 119.26 119.82 3fxx h ALA 852 Ca 0.51 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.14 3fxx h ALA 852 Cb 0.81 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fxx h ALA 852 CO -0.41 0.31 -1.26 -0.07 0.00 0.00 0.00 179.25 177.83 3fxx h LEU 853 N 1.04 0.44 -0.54 0.00 3.38 -1.57 -2.15 115.31 115.91 3fxx h LEU 853 Ca 0.43 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3fxx h LEU 853 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fxx h LEU 853 CO -0.21 1.37 0.06 0.22 0.09 0.00 0.00 178.44 179.97 3fxx h TYR 854 N 0.08 0.99 -0.85 1.13 3.20 -1.09 -2.03 116.97 118.39 3fxx h TYR 854 Ca -0.14 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.59 3fxx h TYR 854 Cb 1.98 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.94 3fxx h TYR 854 CO 0.07 0.89 0.56 0.37 -1.64 0.00 0.00 178.16 178.40 3fxx h GLN 855 N 0.80 1.13 -0.84 1.82 5.75 -1.12 -1.33 115.11 121.32 3fxx h GLN 855 Ca 0.16 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3fxx h GLN 855 Cb 0.45 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 3fxx h GLN 855 CO 0.02 0.75 0.55 1.25 -2.65 0.00 0.00 178.83 178.75 3fxx h LEU 856 N 1.16 0.92 -0.18 -2.39 5.85 -1.19 -0.72 115.31 118.76 3fxx h LEU 856 Ca 0.31 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.06 3fxx h LEU 856 Cb -0.12 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 3fxx h LEU 856 CO -0.07 0.65 -0.13 0.24 -0.34 0.00 0.00 178.44 178.79 3fxx h MET 857 N 1.08 -0.14 -0.84 1.25 2.86 -0.67 0.23 114.93 118.71 3fxx h MET 857 Ca 0.33 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.00 3fxx h MET 857 Cb -0.04 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3fxx h MET 857 CO -0.10 -0.09 0.55 -0.07 1.06 0.00 0.00 176.91 178.27 3fxx h LEU 858 N -0.14 0.93 -0.30 1.22 3.38 -0.70 -0.34 115.31 119.36 3fxx h LEU 858 Ca 0.11 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3fxx h LEU 858 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3fxx h LEU 858 CO -0.26 0.66 -0.16 0.44 0.09 0.00 0.00 178.44 179.21 3fxx h ASP 859 N 1.09 0.67 0.09 -0.43 3.32 -0.76 -2.42 116.42 117.98 3fxx h ASP 859 Ca 0.32 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3fxx h ASP 859 Cb -0.05 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3fxx h ASP 859 CO -0.08 0.94 -0.06 0.00 -1.72 0.00 0.00 179.24 178.31 3fxx n TRP 861 N -4.17 2.13 -1.76 0.00 8.01 -0.21 -3.61 117.44 117.84 3fxx n TRP 861 Ca -0.03 -0.88 -0.41 0.00 -1.31 0.00 0.00 57.50 54.86 3fxx n TRP 861 Cb 0.14 -0.57 -0.01 0.00 -2.01 0.00 0.00 31.31 28.86 3fxx n TRP 861 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3fxx n GLN 862 N 0.27 2.72 -0.21 -0.99 1.13 -0.99 -4.89 117.38 114.43 3fxx n GLN 862 Ca 0.32 0.97 -0.03 0.00 -1.94 0.00 0.00 57.00 56.31 3fxx n GLN 862 Cb 1.23 -2.74 0.07 0.00 0.11 0.00 0.00 30.24 28.91 3fxx n GLN 862 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 3fxx h LYS 863 N 4.37 0.67 -6.24 -1.09 3.64 -1.93 -3.38 116.57 112.62 3fxx h LYS 863 Ca -0.48 -0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.27 3fxx h LYS 863 Cb 1.23 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 3fxx h LYS 863 CO 0.76 0.44 0.69 0.34 -2.27 0.00 0.00 179.45 179.41 3fxx s ASP 864 N -5.62 6.67 0.49 4.20 -1.08 -1.26 -4.93 116.67 115.14 3fxx s ASP 864 Ca -0.13 0.53 0.15 0.00 -0.52 0.00 0.00 52.55 52.59 3fxx s ASP 864 Cb 0.15 -2.49 1.17 0.00 -1.46 0.00 0.00 42.92 40.29 3fxx s ASP 864 CO 0.75 -0.97 2.08 0.08 0.52 0.00 0.00 175.17 177.64 3fxx h ARG 865 N 8.68 0.17 0.00 4.34 0.11 -1.96 -0.50 114.38 125.21 3fxx h ARG 865 Ca -0.23 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.84 3fxx h ARG 865 Cb 1.07 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3fxx h ARG 865 CO 1.02 0.11 0.00 -0.91 0.10 0.00 0.00 179.97 180.29 3fxx h ASN 866 N 0.17 0.00 0.22 0.08 -0.26 -1.93 -2.77 115.58 111.09 3fxx h ASN 866 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3fxx h ASN 866 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3fxx h ASN 866 CO -0.02 0.00 -0.42 0.59 -1.06 0.00 0.00 177.43 176.53 3fxx n ASN 867 N -2.47 1.12 -4.79 5.81 3.02 -0.20 -4.93 115.26 112.83 3fxx n ASN 867 Ca 0.00 -0.90 -0.34 0.00 -0.03 0.00 0.00 54.58 53.31 3fxx n ASN 867 Cb 0.16 0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 3fxx n ASN 867 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fxx s ARG 868 N -2.64 3.53 0.64 3.52 0.52 -1.05 -4.94 118.95 118.53 3fxx s ARG 868 Ca 0.19 1.41 -0.15 0.00 -0.52 0.00 0.00 55.73 56.66 3fxx s ARG 868 Cb 0.18 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 3fxx s ARG 868 CO 0.60 -0.67 1.10 -1.25 0.02 0.00 0.00 175.30 175.09 3fxx s PRO 869 N -3.44 2.94 0.61 3.54 0.04 -1.26 -5.03 135.00 132.39 3fxx s PRO 869 Ca 0.68 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 3fxx s PRO 869 Cb -0.19 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3fxx s PRO 869 CO 0.26 -1.13 1.03 0.15 0.04 0.00 0.00 177.00 177.34 3fxx s LYS 870 N -4.09 3.57 0.32 4.56 -0.14 -1.26 -4.91 119.74 117.78 3fxx s LYS 870 Ca 0.66 0.85 0.05 0.00 -1.36 0.00 0.00 55.97 56.17 3fxx s LYS 870 Cb -0.19 -2.08 0.67 0.00 -1.68 0.00 0.00 37.83 34.55 3fxx s LYS 870 CO 0.40 -0.59 1.86 0.74 -0.76 0.00 0.00 175.35 177.00 3fxx h PHE 871 N -0.06 0.99 -0.97 3.18 0.04 -1.94 -0.44 116.94 117.74 3fxx h PHE 871 Ca -0.45 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.39 3fxx h PHE 871 Cb 1.19 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 38.97 3fxx h PHE 871 CO 0.65 0.40 0.63 1.49 -0.60 0.00 0.00 178.31 180.88 3fxx h GLU 872 N 0.87 1.18 -0.39 1.51 4.81 -1.93 -0.80 114.58 119.83 3fxx h GLU 872 Ca 0.46 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.49 3fxx h GLU 872 Cb 0.56 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3fxx h GLU 872 CO -0.23 0.78 -0.30 1.96 -0.73 0.00 0.00 179.01 180.50 3fxx h GLN 873 N 1.22 0.84 -0.31 1.92 4.20 -1.51 -2.08 115.11 119.40 3fxx h GLN 873 Ca 0.39 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3fxx h GLN 873 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3fxx h GLN 873 CO -0.12 1.02 0.17 0.82 -0.67 0.00 0.00 178.83 180.05 3fxx h ILE 874 N 0.71 1.13 -0.35 2.54 2.04 -0.60 -0.47 117.51 122.50 3fxx h ILE 874 Ca 0.08 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3fxx h ILE 874 Cb 0.85 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3fxx h ILE 874 CO 0.07 0.13 0.17 0.58 0.00 0.00 0.00 178.15 179.10 3fxx h VAL 875 N 0.38 0.98 -0.51 1.67 2.07 -1.07 -1.34 116.25 118.43 3fxx h VAL 875 Ca 0.11 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3fxx h VAL 875 Cb 0.05 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3fxx h VAL 875 CO -0.02 0.07 0.32 -1.28 0.02 0.00 0.00 177.57 176.68 3fxx h SER 876 N 0.36 0.54 -0.45 0.57 0.87 -1.12 0.39 113.55 114.71 3fxx h SER 876 Ca 0.15 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 3fxx h SER 876 Cb 0.06 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3fxx h SER 876 CO -0.11 0.39 0.20 0.40 -0.53 0.00 0.00 176.83 177.18 3fxx h ILE 877 N 0.65 0.92 -0.34 2.23 2.04 -0.72 -1.14 117.51 121.15 3fxx h ILE 877 Ca 0.20 -0.14 -0.14 0.00 1.00 0.00 0.00 64.86 65.78 3fxx h ILE 877 Cb -0.03 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3fxx h ILE 877 CO -0.07 0.07 -0.35 -0.07 0.00 0.00 0.00 178.15 177.74 3fxx h LEU 878 N 0.40 0.81 -1.07 1.44 3.38 -0.94 -2.37 115.31 116.97 3fxx h LEU 878 Ca 0.20 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3fxx h LEU 878 Cb 0.15 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3fxx h LEU 878 CO -0.17 1.08 0.63 0.44 0.09 0.00 0.00 178.44 180.51 3fxx h ASP 879 N 0.64 1.09 -0.62 -0.43 3.32 -0.51 -0.36 116.42 119.55 3fxx h ASP 879 Ca 0.06 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3fxx h ASP 879 Cb 0.89 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3fxx h ASP 879 CO 0.08 0.79 0.12 0.11 -1.72 0.00 0.00 179.24 178.62 3fxx h LYS 880 N 1.28 1.02 -0.44 3.56 1.57 -1.00 -0.75 116.57 121.80 3fxx h LYS 880 Ca 0.35 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3fxx h LYS 880 Cb -0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3fxx h LYS 880 CO -0.07 0.94 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.63 3fxx h LEU 881 N 0.93 0.73 -0.76 2.94 3.38 -0.84 0.13 115.31 121.82 3fxx h LEU 881 Ca 0.19 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3fxx h LEU 881 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3fxx h LEU 881 CO 0.01 0.83 -0.22 0.40 0.09 0.00 0.00 178.44 179.55 3fxx h ILE 882 N 0.70 1.27 0.00 1.22 2.04 -0.88 -2.73 117.51 119.13 3fxx h ILE 882 Ca 0.13 -1.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 3fxx h ILE 882 Cb 0.50 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3fxx h ILE 882 CO 0.03 0.43 -0.60 -0.09 0.00 0.00 0.00 178.15 177.92 3fxx h ARG 883 N 0.62 0.00 -2.10 2.37 2.43 -0.66 -3.35 114.38 113.69 3fxx h ARG 883 Ca 0.09 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.69 3fxx h ARG 883 Cb 0.70 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.85 3fxx h ARG 883 CO 0.05 0.60 -0.86 -1.71 -1.51 0.00 0.00 179.97 176.55 3fxx n ASN 884 N -3.42 2.09 0.29 -3.80 5.15 0.41 -4.98 115.26 111.00 3fxx n ASN 884 Ca 0.00 -3.11 0.17 0.00 -0.60 0.00 0.00 54.58 51.04 3fxx n ASN 884 Cb 0.70 -0.65 0.95 0.00 -0.53 0.00 0.00 39.78 40.25 3fxx n ASN 884 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3fxx h PRO 885 N 3.94 0.00 0.00 1.20 0.13 -1.63 -0.54 132.00 135.10 3fxx h PRO 885 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3fxx h PRO 885 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3fxx h PRO 885 CO 0.65 0.00 -0.02 0.78 -0.23 0.00 0.00 178.00 179.19 3fxx h GLY 886 N 0.00 0.00 1.58 1.56 0.00 -1.94 -2.05 103.07 102.22 3fxx h GLY 886 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.40 3fxx h GLY 886 CO -0.00 0.00 0.16 1.48 0.00 0.00 0.00 176.54 178.18 3fxx h SER 887 N 0.00 0.06 0.51 0.19 4.64 -1.42 -1.98 113.55 115.55 3fxx h SER 887 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fxx h SER 887 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fxx h SER 887 CO 0.00 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 3fxx n LEU 888 N -4.48 0.00 0.18 5.97 4.77 -0.77 -3.36 117.00 119.31 3fxx n LEU 888 Ca 0.02 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 3fxx n LEU 888 Cb 0.27 -0.45 0.34 0.00 -2.33 0.00 0.00 43.42 41.25 3fxx n LEU 888 CO 0.35 -0.19 0.86 0.11 -1.33 0.00 0.00 177.39 177.19 3fxx h LYS 889 N 0.00 0.00 -6.37 3.23 1.57 -1.52 -3.42 116.57 110.07 3fxx h LYS 889 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3fxx h LYS 889 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3fxx h LYS 889 CO 0.00 0.00 0.94 0.42 -0.57 0.00 0.00 179.45 180.24 3fxx s ILE 890 N -3.23 4.22 0.03 1.86 1.01 -1.21 -5.01 121.20 118.87 3fxx s ILE 890 Ca 0.07 1.37 -0.00 0.00 0.00 0.00 0.00 60.65 62.10 3fxx s ILE 890 Cb 0.08 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3fxx s ILE 890 CO 0.61 -0.52 0.14 -0.63 0.00 0.00 0.00 174.94 174.54 3fxx s ILE 891 N 4.25 5.05 0.00 2.92 -1.09 -1.26 -0.69 121.20 130.38 3fxx s ILE 891 Ca 0.53 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 3fxx s ILE 891 Cb -0.15 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 3fxx s ILE 891 CO 0.22 0.24 0.00 0.41 -1.23 0.00 0.00 174.94 174.59 3fxx n THR 892 N 0.74 0.00 0.00 2.92 -1.04 0.04 -4.59 114.28 112.34 3fxx n THR 892 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3fxx n THR 892 Cb 0.52 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 3fxx n THR 892 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fxx n ALA 895 N -3.00 0.00 -2.17 2.41 0.00 -1.26 -4.99 120.51 111.50 3fxx n ALA 895 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3fxx n ALA 895 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3fxx n ALA 895 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fxx s ALA 896 N -2.00 3.41 0.11 0.00 0.00 -1.26 -4.99 121.76 117.03 3fxx s ALA 896 Ca 0.00 0.53 0.09 0.00 0.00 0.00 0.00 51.96 52.58 3fxx s ALA 896 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 3fxx s ALA 896 CO 0.00 -1.69 -0.24 1.03 0.00 0.00 0.00 175.76 174.86 3fxx s ARG 897 N 4.31 1.28 0.13 0.00 0.52 -1.26 -5.03 118.95 118.89 3fxx s ARG 897 Ca 0.68 -1.22 0.25 0.00 -0.52 0.00 0.00 55.73 54.92 3fxx s ARG 897 Cb -0.25 -1.62 0.95 0.00 0.52 0.00 0.00 34.95 34.54 3fxx s ARG 897 CO 0.26 0.39 1.78 -0.35 0.02 0.00 0.00 175.30 177.40 3fxx n PRO 898 N 1.09 0.14 -4.11 3.54 -0.04 -1.26 -4.90 135.00 129.46 3fxx n PRO 898 Ca -0.19 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 3fxx n PRO 898 Cb 0.53 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 3fxx n PRO 898 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3fxx s SER 899 N -3.82 0.17 -0.05 3.54 1.04 -1.26 -5.09 113.70 108.24 3fxx s SER 899 Ca 0.10 -1.17 -0.25 0.00 0.48 0.00 0.00 55.95 55.12 3fxx s SER 899 Cb 0.14 0.38 -0.20 0.00 0.10 0.00 0.00 66.02 66.44 3fxx s SER 899 CO 0.50 -0.83 1.09 -1.13 0.98 0.00 0.00 173.24 173.85 3fxx h ASN 900 N 2.67 -0.07 -4.13 7.02 -0.73 -1.99 -3.42 115.58 114.94 3fxx h ASN 900 Ca -0.34 -0.51 -0.49 0.00 1.87 0.00 0.00 56.30 56.83 3fxx h ASN 900 Cb 1.22 0.02 0.07 0.00 0.27 0.00 0.00 38.32 39.90 3fxx h ASN 900 CO 0.53 0.51 0.40 -0.76 -0.37 0.00 0.00 177.43 177.74 3fxx s LEU 901 N -9.03 3.64 -0.19 0.34 1.43 -1.26 -4.45 118.68 109.17 3fxx s LEU 901 Ca -0.15 2.01 -0.09 0.00 -1.03 0.00 0.00 54.13 54.87 3fxx s LEU 901 Cb 0.01 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 3fxx s LEU 901 CO 0.62 -1.20 0.11 -0.22 0.23 0.00 0.00 176.35 175.89 3fxx s LEU 902 N -4.10 4.13 -0.65 1.79 0.20 0.55 -4.83 118.68 115.77 3fxx s LEU 902 Ca 0.69 0.22 -0.28 0.00 0.69 0.00 0.00 54.13 55.45 3fxx s LEU 902 Cb -0.20 -2.06 0.03 0.00 -0.43 0.00 0.00 46.19 43.53 3fxx s LEU 902 CO 0.30 0.20 1.28 -0.22 -0.29 0.00 0.00 176.35 177.62 3fxx s LEU 903 N 0.22 3.31 0.00 -0.68 2.96 -1.26 0.32 118.68 123.55 3fxx s LEU 903 Ca 0.08 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3fxx s LEU 903 Cb -0.11 -2.86 0.00 0.00 0.50 0.00 0.00 46.19 43.71 3fxx s LEU 903 CO -0.01 -1.69 0.00 -0.67 -1.32 0.00 0.00 176.35 172.66