#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpa s ILE 603 N 0.00 1.30 0.21 -0.18 2.07 -1.26 -4.60 121.20 118.74 1jpa s ILE 603 Ca 0.00 -0.99 -0.30 0.00 -1.41 0.00 0.00 60.65 57.95 1jpa s ILE 603 Cb 0.00 -1.14 -0.09 0.00 0.13 0.00 0.00 42.46 41.36 1jpa s ILE 603 CO 0.00 0.13 1.19 0.12 -1.91 0.00 0.00 174.94 174.47 1jpa s PHE 604 N -0.73 3.42 -0.18 3.50 5.36 0.48 -5.03 117.98 124.80 1jpa s PHE 604 Ca 0.04 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 57.49 1jpa s PHE 604 Cb -0.08 -3.43 0.02 0.00 -0.34 0.00 0.00 43.02 39.20 1jpa s PHE 604 CO 0.01 -1.14 -0.19 0.42 -1.46 0.00 0.00 175.22 172.86 1jpa s ILE 605 N -0.35 2.04 0.06 3.12 1.01 -1.26 -4.98 121.20 120.84 1jpa s ILE 605 Ca 0.51 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1jpa s ILE 605 Cb -0.33 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.19 1jpa s ILE 605 CO 0.39 0.50 1.92 -0.62 0.00 0.00 0.00 174.94 177.13 1jpa s ASP 606 N 1.29 6.45 0.50 3.58 -1.08 -1.26 -4.87 116.67 121.28 1jpa s ASP 606 Ca 0.04 2.69 0.18 0.00 -0.52 0.00 0.00 52.55 54.94 1jpa s ASP 606 Cb -0.13 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.03 1jpa s ASP 606 CO -0.12 -1.04 2.06 -0.65 0.52 0.00 0.00 175.17 175.94 1jpa h PRO 607 N 9.96 0.11 -0.15 4.34 0.11 -1.94 -1.20 132.00 143.22 1jpa h PRO 607 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jpa h PRO 607 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jpa h PRO 607 CO 0.94 0.07 0.00 1.19 -0.21 0.00 0.00 178.00 179.99 1jpa n PHE 608 N -4.47 0.00 0.90 0.65 0.99 -1.26 -2.32 117.46 111.96 1jpa n PHE 608 Ca 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 1jpa n PHE 608 Cb 0.31 -0.01 -0.08 0.00 -1.00 0.00 0.00 39.48 38.69 1jpa n PHE 608 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1jpa n THR 609 N -0.42 0.01 -2.54 4.37 -2.24 -0.45 -4.93 114.28 108.07 1jpa n THR 609 Ca 0.00 -0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 1jpa n THR 609 Cb 0.04 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1jpa n THR 609 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1jpa s PHE 610 N -3.05 3.31 0.31 4.78 0.40 -0.98 -4.93 117.98 117.82 1jpa s PHE 610 Ca 0.07 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 58.05 1jpa s PHE 610 Cb 0.16 -3.14 0.52 0.00 0.51 0.00 0.00 43.02 41.07 1jpa s PHE 610 CO 0.86 -0.60 1.93 0.93 0.70 0.00 0.00 175.22 179.04 1jpa h GLU 611 N 2.64 1.00 -3.44 0.44 4.39 -1.91 -3.34 114.58 114.36 1jpa h GLU 611 Ca -0.48 -0.06 -0.60 0.00 0.34 0.00 0.00 59.36 58.56 1jpa h GLU 611 Cb 1.21 -0.23 -0.40 0.00 -0.10 0.00 0.00 28.75 29.24 1jpa h GLU 611 CO 0.63 0.66 -0.74 0.34 -1.16 0.00 0.00 179.01 178.74 1jpa s ASP 612 N -6.12 3.96 0.52 1.42 3.68 -1.26 -5.00 116.67 113.87 1jpa s ASP 612 Ca -0.11 -2.11 0.40 0.00 2.13 0.00 0.00 52.55 52.86 1jpa s ASP 612 Cb 0.19 -1.02 1.58 0.00 -1.45 0.00 0.00 42.92 42.22 1jpa s ASP 612 CO 0.79 -0.35 1.67 -0.65 0.13 0.00 0.00 175.17 176.76 1jpa h PRO 613 N 7.47 0.04 0.00 4.34 0.11 -1.78 0.95 132.00 143.14 1jpa h PRO 613 Ca -0.07 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1jpa h PRO 613 Cb 0.98 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1jpa h PRO 613 CO 0.48 0.03 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.37 1jpa h ASN 614 N 0.04 0.00 0.78 -2.05 2.35 -1.94 -1.00 115.58 113.75 1jpa h ASN 614 Ca 0.78 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.39 1jpa h ASN 614 Cb 2.92 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 41.27 1jpa h ASN 614 CO -0.12 0.02 -0.68 -0.08 -1.65 0.00 0.00 177.43 174.92 1jpa h GLU 615 N 0.00 0.00 -0.46 0.81 4.57 0.56 -2.65 114.58 117.41 1jpa h GLU 615 Ca -0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1jpa h GLU 615 Cb 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1jpa h GLU 615 CO 0.00 0.68 -0.11 0.00 -1.18 0.00 0.00 179.01 178.40 1jpa h ALA 616 N 1.32 0.63 0.24 2.92 0.00 -1.27 -0.82 119.26 122.28 1jpa h ALA 616 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jpa h ALA 616 Cb 1.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1jpa h ALA 616 CO 0.09 0.52 -0.17 0.28 0.00 0.00 0.00 179.25 179.97 1jpa h VAL 617 N 0.71 0.64 -0.06 0.00 2.07 -1.45 0.25 116.25 118.41 1jpa h VAL 617 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1jpa h VAL 617 Cb 0.65 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jpa h VAL 617 CO 0.04 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.65 1jpa h ARG 618 N -0.41 0.08 0.06 1.57 3.08 -1.39 0.85 114.38 118.23 1jpa h ARG 618 Ca -0.02 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1jpa h ARG 618 Cb 0.35 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.40 1jpa h ARG 618 CO 0.00 0.11 -0.74 1.49 -1.07 0.00 0.00 179.97 179.76 1jpa h GLU 619 N 0.08 0.39 0.00 0.04 4.81 -0.49 -3.39 114.58 116.02 1jpa h GLU 619 Ca 0.02 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1jpa h GLU 619 Cb 0.09 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jpa h GLU 619 CO 0.00 1.18 -1.88 1.19 -0.73 0.00 0.00 179.01 178.77 1jpa n PHE 620 N -4.14 0.00 -4.44 0.92 0.99 0.82 -4.96 117.46 106.65 1jpa n PHE 620 Ca -0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 56.99 1jpa n PHE 620 Cb 0.76 -0.45 -0.11 0.00 -1.00 0.00 0.00 39.48 38.68 1jpa n PHE 620 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jpa s ALA 621 N -3.30 3.13 0.07 4.37 0.00 0.29 -4.49 121.76 121.83 1jpa s ALA 621 Ca -0.07 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 50.83 1jpa s ALA 621 Cb 0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 1jpa s ALA 621 CO 0.79 0.47 0.67 0.21 0.00 0.00 0.00 175.76 177.90 1jpa s LYS 622 N -0.49 4.39 -0.06 0.00 2.20 -1.26 -4.45 119.74 120.07 1jpa s LYS 622 Ca 0.08 0.92 -0.26 0.00 -0.36 0.00 0.00 55.97 56.35 1jpa s LYS 622 Cb -0.12 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1jpa s LYS 622 CO 0.02 0.46 0.81 -2.00 -0.36 0.00 0.00 175.35 174.29 1jpa s GLU 623 N -0.61 4.46 -0.06 4.03 2.56 -1.26 0.32 118.70 128.13 1jpa s GLU 623 Ca 0.33 1.08 0.06 0.00 0.00 0.00 0.00 54.97 56.44 1jpa s GLU 623 Cb -0.20 -3.47 -0.01 0.00 2.00 0.00 0.00 34.13 32.45 1jpa s GLU 623 CO 0.21 -0.03 -0.24 0.42 -0.56 0.00 0.00 175.26 175.07 1jpa s ILE 624 N 1.05 1.98 0.26 -3.70 1.01 0.11 -4.88 121.20 117.04 1jpa s ILE 624 Ca 0.42 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1jpa s ILE 624 Cb -0.19 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.52 1jpa s ILE 624 CO 0.21 0.55 0.96 -0.62 0.00 0.00 0.00 174.94 176.04 1jpa s ASP 625 N -0.14 7.52 0.54 3.58 2.15 -1.26 -4.47 116.67 124.60 1jpa s ASP 625 Ca -0.04 1.97 0.31 0.00 0.43 0.00 0.00 52.55 55.22 1jpa s ASP 625 Cb -0.13 -2.61 1.48 0.00 -0.30 0.00 0.00 42.92 41.36 1jpa s ASP 625 CO 0.04 0.07 1.90 0.40 -0.17 0.00 0.00 175.17 177.40 1jpa h ILE 626 N 3.02 0.56 0.00 4.11 1.08 -1.97 0.14 117.51 124.45 1jpa h ILE 626 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1jpa h ILE 626 Cb 1.20 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1jpa h ILE 626 CO 0.67 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 176.59 1jpa n SER 627 N -4.26 0.18 -0.06 1.72 3.41 -1.26 -1.55 113.62 111.81 1jpa n SER 627 Ca 0.18 0.58 -0.01 0.00 -0.26 0.00 0.00 58.87 59.36 1jpa n SER 627 Cb 0.93 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 1jpa n SER 627 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jpa s VAL 629 N -2.87 4.61 -0.29 0.00 1.01 -0.60 -3.19 120.40 119.07 1jpa s VAL 629 Ca -0.08 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 1jpa s VAL 629 Cb 0.09 -3.87 0.13 0.00 0.00 0.00 0.00 36.38 32.73 1jpa s VAL 629 CO 0.80 0.27 0.26 -0.75 0.00 0.00 0.00 175.10 175.68 1jpa s LYS 630 N -1.82 0.29 0.18 2.72 2.20 -0.76 -4.95 119.74 117.60 1jpa s LYS 630 Ca 0.40 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 1jpa s LYS 630 Cb -0.17 -0.76 -0.08 0.00 -1.51 0.00 0.00 37.83 35.31 1jpa s LYS 630 CO 0.21 -1.01 1.11 0.42 -0.36 0.00 0.00 175.35 175.71 1jpa s ILE 631 N 2.32 3.84 -0.04 5.43 1.01 -1.26 -0.58 121.20 131.91 1jpa s ILE 631 Ca 0.09 1.59 -0.04 0.00 0.00 0.00 0.00 60.65 62.30 1jpa s ILE 631 Cb -0.14 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1jpa s ILE 631 CO -0.33 0.27 -0.07 1.21 0.00 0.00 0.00 174.94 176.02 1jpa n GLU 632 N 2.37 0.13 -3.76 2.79 2.13 0.14 -4.95 120.64 119.49 1jpa n GLU 632 Ca 0.03 0.16 -0.09 0.00 0.66 0.00 0.00 57.16 57.91 1jpa n GLU 632 Cb 0.46 -0.83 -0.03 0.00 0.27 0.00 0.00 31.44 31.31 1jpa n GLU 632 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1jpa s GLN 633 N -1.42 1.55 0.04 5.31 -2.07 -1.21 -4.98 119.66 116.89 1jpa s GLN 633 Ca -0.06 -0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 52.29 1jpa s GLN 633 Cb 0.01 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.45 1jpa s GLN 633 CO 0.09 -0.68 1.10 0.08 -1.32 0.00 0.00 175.29 174.56 1jpa s VAL 634 N -3.89 4.37 -0.04 3.63 1.01 -1.26 -1.27 120.40 122.94 1jpa s VAL 634 Ca 0.10 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.81 1jpa s VAL 634 Cb -0.03 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1jpa s VAL 634 CO 0.01 0.14 0.04 2.30 0.00 0.00 0.00 175.10 177.59 1jpa n ILE 635 N 3.81 0.00 -3.75 2.22 -5.35 0.75 -4.92 119.36 112.12 1jpa n ILE 635 Ca 0.07 -0.38 -0.02 0.00 -0.27 0.00 0.00 62.75 62.15 1jpa n ILE 635 Cb 0.48 0.89 0.02 0.00 -1.74 0.00 0.00 39.64 39.28 1jpa n ILE 635 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jpa n GLY 636 N 1.33 0.82 2.96 3.28 0.00 -0.40 -4.99 105.19 108.19 1jpa n GLY 636 Ca 0.00 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1jpa n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpa s ALA 637 N -1.73 0.99 0.00 4.61 0.00 -1.26 -1.04 121.76 123.32 1jpa s ALA 637 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1jpa s ALA 637 Cb -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1jpa s ALA 637 CO 0.04 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1jpa n GLY 638 N 3.92 2.35 0.11 0.00 0.00 0.23 -4.86 105.19 106.95 1jpa n GLY 638 Ca -0.24 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 43.74 1jpa n GLY 638 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jpa h GLU 639 N 0.00 0.00 -0.01 1.61 4.81 -1.99 -3.36 114.58 115.65 1jpa h GLU 639 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jpa h GLU 639 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jpa h GLU 639 CO 0.00 0.24 -0.12 1.19 -0.73 0.00 0.00 179.01 179.60 1jpa n PHE 640 N -2.91 0.00 -0.30 0.92 3.01 -1.26 -5.09 117.46 111.82 1jpa n PHE 640 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1jpa n PHE 640 Cb 0.73 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 1jpa n PHE 640 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jpa n GLY 641 N 0.70 -0.69 3.84 1.37 0.00 -1.24 -1.98 105.19 107.19 1jpa n GLY 641 Ca 0.03 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1jpa n GLY 641 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jpa s GLU 642 N -0.73 3.12 -0.17 1.61 -1.05 -1.20 0.76 118.70 121.04 1jpa s GLU 642 Ca 0.00 -0.64 -0.05 0.00 -0.15 0.00 0.00 54.97 54.13 1jpa s GLU 642 Cb 0.00 -2.83 -0.03 0.00 -0.44 0.00 0.00 34.13 30.83 1jpa s GLU 642 CO 0.00 0.56 0.00 0.08 0.95 0.00 0.00 175.26 176.85 1jpa s VAL 643 N -1.53 4.21 0.26 1.83 1.01 -0.21 -1.29 120.40 124.68 1jpa s VAL 643 Ca 0.32 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1jpa s VAL 643 Cb -0.12 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1jpa s VAL 643 CO 0.25 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.81 1jpa s SER 645 N -3.37 6.38 0.05 0.00 0.15 -0.40 -0.08 113.70 116.43 1jpa s SER 645 Ca 0.30 0.32 -0.05 0.00 0.70 0.00 0.00 55.95 57.22 1jpa s SER 645 Cb 0.06 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.40 1jpa s SER 645 CO 0.11 0.12 0.24 0.61 1.20 0.00 0.00 173.24 175.52 1jpa n GLY 646 N 0.08 1.23 3.31 9.45 0.00 0.61 0.28 105.19 120.15 1jpa n GLY 646 Ca -0.05 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1jpa n GLY 646 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jpa s HIS 647 N -5.43 1.82 -0.06 1.61 3.76 0.25 -0.31 115.29 116.92 1jpa s HIS 647 Ca 0.05 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1jpa s HIS 647 Cb -0.01 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.74 1jpa s HIS 647 CO 0.02 0.25 0.15 -1.17 -0.85 0.00 0.00 174.74 173.14 1jpa s LEU 648 N -2.17 1.20 0.03 0.89 2.96 -0.39 -1.82 118.68 119.39 1jpa s LEU 648 Ca 0.10 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1jpa s LEU 648 Cb -0.09 0.46 -0.02 0.00 0.50 0.00 0.00 46.19 47.04 1jpa s LEU 648 CO 0.05 -0.08 -0.00 -0.75 -1.32 0.00 0.00 176.35 174.25 1jpa s LYS 649 N 0.44 0.45 -0.12 1.98 2.36 -1.19 -1.47 119.74 122.18 1jpa s LYS 649 Ca -0.03 -0.80 -0.11 0.00 -2.55 0.00 0.00 55.97 52.48 1jpa s LYS 649 Cb -0.04 0.16 -0.05 0.00 -1.05 0.00 0.00 37.83 36.85 1jpa s LYS 649 CO -0.02 -0.09 0.47 -2.13 1.55 0.00 0.00 175.35 175.14 1jpa n ARG 654 N 1.03 0.00 -1.67 4.03 0.63 -1.26 -4.76 116.66 114.66 1jpa n ARG 654 Ca -0.20 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.34 1jpa n ARG 654 Cb 0.57 -0.37 0.04 0.00 0.45 0.00 0.00 32.46 33.15 1jpa n ARG 654 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1jpa n GLU 655 N 1.51 1.38 -3.95 -0.14 2.13 -1.26 -5.02 120.64 115.29 1jpa n GLU 655 Ca 0.11 0.51 -0.09 0.00 0.66 0.00 0.00 57.16 58.35 1jpa n GLU 655 Cb -0.01 -2.33 -0.08 0.00 0.27 0.00 0.00 31.44 29.30 1jpa n GLU 655 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1jpa s ILE 656 N -1.35 0.11 0.46 6.31 -4.36 -0.54 -4.97 121.20 116.85 1jpa s ILE 656 Ca 0.71 -1.39 -0.21 0.00 -0.26 0.00 0.00 60.65 59.51 1jpa s ILE 656 Cb -0.45 -1.66 -0.10 0.00 1.25 0.00 0.00 42.46 41.50 1jpa s ILE 656 CO 0.50 -0.48 0.99 -0.36 0.24 0.00 0.00 174.94 175.83 1jpa s PHE 657 N -3.93 3.17 0.14 1.37 0.40 -1.26 -1.26 117.98 116.61 1jpa s PHE 657 Ca 0.13 1.59 -0.13 0.00 -0.60 0.00 0.00 56.93 57.92 1jpa s PHE 657 Cb 0.05 -2.95 0.02 0.00 0.51 0.00 0.00 43.02 40.64 1jpa s PHE 657 CO -0.04 -0.44 0.36 0.14 0.70 0.00 0.00 175.22 175.94 1jpa s VAL 658 N -2.09 0.07 -0.11 -0.44 -7.23 0.57 -3.75 120.40 107.43 1jpa s VAL 658 Ca 0.64 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1jpa s VAL 658 Cb -0.12 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1jpa s VAL 658 CO 0.16 -0.33 0.15 0.00 -0.31 0.00 0.00 175.10 174.77 1jpa s ALA 659 N -3.87 3.88 -0.08 1.32 0.00 0.28 -0.29 121.76 123.02 1jpa s ALA 659 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1jpa s ALA 659 Cb 0.02 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.19 1jpa s ALA 659 CO -0.07 0.63 -0.07 0.42 0.00 0.00 0.00 175.76 176.67 1jpa s ILE 660 N -1.06 0.84 -0.21 0.00 1.01 0.88 -1.16 121.20 121.50 1jpa s ILE 660 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 1jpa s ILE 660 Cb -0.12 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1jpa s ILE 660 CO 0.06 0.31 -0.05 -0.54 0.00 0.00 0.00 174.94 174.73 1jpa s LYS 661 N 1.29 3.40 0.05 2.79 1.02 -0.56 0.71 119.74 128.43 1jpa s LYS 661 Ca -0.04 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.34 1jpa s LYS 661 Cb -0.14 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1jpa s LYS 661 CO -0.03 -0.15 0.15 0.95 -0.92 0.00 0.00 175.35 175.35 1jpa s THR 662 N 1.36 5.01 -0.44 2.17 -4.23 -0.41 -1.11 115.64 117.99 1jpa s THR 662 Ca 0.04 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.87 1jpa s THR 662 Cb -0.14 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.32 1jpa s THR 662 CO -0.02 0.17 0.45 -0.22 -0.54 0.00 0.00 174.62 174.46 1jpa s LEU 663 N -2.34 5.00 0.00 4.79 2.96 0.22 -3.23 118.68 126.09 1jpa s LEU 663 Ca 0.31 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1jpa s LEU 663 Cb -0.13 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.21 1jpa s LEU 663 CO 0.24 -0.63 0.00 2.29 -1.32 0.00 0.00 176.35 176.93 1jpa n LYS 664 N 5.60 0.00 0.00 1.98 2.85 -0.84 -4.37 118.16 123.38 1jpa n LYS 664 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1jpa n LYS 664 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1jpa n LYS 664 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1jpa n SER 665 N 0.00 0.00 -1.34 -5.58 2.88 -1.26 -4.91 113.62 103.40 1jpa n SER 665 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1jpa n SER 665 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1jpa n SER 665 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jpa n GLY 666 N -0.24 0.01 3.78 0.46 0.00 -1.26 -4.98 105.19 102.96 1jpa n GLY 666 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1jpa n GLY 666 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jpa s TYR 667 N -2.59 2.69 0.47 1.61 -0.85 -1.26 -5.06 117.35 112.36 1jpa s TYR 667 Ca 0.00 1.53 -0.01 0.00 -0.52 0.00 0.00 57.07 58.07 1jpa s TYR 667 Cb 0.00 -3.04 -0.01 0.00 0.38 0.00 0.00 41.96 39.30 1jpa s TYR 667 CO 0.00 -1.66 0.71 0.95 -1.52 0.00 0.00 175.55 174.03 1jpa s THR 668 N -2.83 4.10 0.45 -3.49 -4.23 -1.26 -4.94 115.64 103.44 1jpa s THR 668 Ca 0.62 -0.36 0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1jpa s THR 668 Cb -0.17 -3.54 0.25 0.00 1.34 0.00 0.00 72.50 70.38 1jpa s THR 668 CO 0.53 -0.42 2.07 -0.08 -0.54 0.00 0.00 174.62 176.18 1jpa h GLU 669 N 0.32 0.27 -0.12 3.99 4.57 -1.99 -1.81 114.58 119.81 1jpa h GLU 669 Ca -0.46 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.61 1jpa h GLU 669 Cb 1.25 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1jpa h GLU 669 CO 0.58 0.22 -0.23 -0.22 -1.18 0.00 0.00 179.01 178.18 1jpa h LYS 670 N 0.27 0.36 -0.35 1.92 3.64 -1.98 -1.73 116.57 118.70 1jpa h LYS 670 Ca 0.07 -0.24 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1jpa h LYS 670 Cb 0.04 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 1jpa h LYS 670 CO -0.01 0.83 -0.12 1.96 -2.27 0.00 0.00 179.45 179.85 1jpa h GLN 671 N -0.06 -0.04 -0.48 1.90 1.08 -1.80 0.29 115.11 116.00 1jpa h GLN 671 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1jpa h GLN 671 Cb 0.82 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1jpa h GLN 671 CO 0.05 -0.03 0.25 -0.09 -0.95 0.00 0.00 178.83 178.07 1jpa h ARG 672 N -0.04 0.66 0.23 1.46 2.43 -1.35 -0.68 114.38 117.09 1jpa h ARG 672 Ca 0.17 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1jpa h ARG 672 Cb 0.31 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1jpa h ARG 672 CO -0.39 0.50 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.37 1jpa h ARG 673 N 0.67 -0.30 -0.61 0.20 2.43 0.05 -0.68 114.38 116.14 1jpa h ARG 673 Ca 0.17 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1jpa h ARG 673 Cb 0.04 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1jpa h ARG 673 CO -0.03 0.07 0.33 -0.44 -1.51 0.00 0.00 179.97 178.40 1jpa h ASP 674 N -0.88 0.74 -0.11 -3.80 3.32 -0.51 0.61 116.42 115.79 1jpa h ASP 674 Ca -0.03 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1jpa h ASP 674 Cb 0.51 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jpa h ASP 674 CO 0.05 0.60 0.02 0.15 -1.72 0.00 0.00 179.24 178.34 1jpa h PHE 675 N 0.84 0.20 0.00 4.55 3.57 -1.17 -2.86 116.94 122.07 1jpa h PHE 675 Ca 0.22 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1jpa h PHE 675 Cb 0.02 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1jpa h PHE 675 CO 0.00 0.39 0.00 1.28 -2.23 0.00 0.00 178.31 177.75 1jpa n LEU 676 N -4.84 0.54 0.08 0.59 4.77 -0.26 -2.90 117.00 114.99 1jpa n LEU 676 Ca -0.06 0.61 0.02 0.00 -0.03 0.00 0.00 56.01 56.55 1jpa n LEU 676 Cb 0.17 -0.50 0.39 0.00 -2.33 0.00 0.00 43.42 41.15 1jpa n LEU 676 CO 0.35 -0.38 0.94 0.77 -1.33 0.00 0.00 177.39 177.74 1jpa h SER 677 N 0.00 0.31 -0.87 -1.43 4.64 -0.64 -0.98 113.55 114.58 1jpa h SER 677 Ca 0.00 -0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1jpa h SER 677 Cb 0.44 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.39 1jpa h SER 677 CO 0.00 0.40 0.56 -0.08 -0.87 0.00 0.00 176.83 176.84 1jpa h GLU 678 N 0.32 0.81 0.12 4.77 4.81 -1.63 0.50 114.58 124.29 1jpa h GLU 678 Ca 0.07 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 1jpa h GLU 678 Cb 0.29 -0.18 0.03 0.00 0.63 0.00 0.00 28.75 29.51 1jpa h GLU 678 CO 0.01 0.54 -1.17 0.00 -0.73 0.00 0.00 179.01 177.66 1jpa h ALA 679 N 1.57 -0.02 0.00 2.92 0.00 -1.40 -0.34 119.26 121.99 1jpa h ALA 679 Ca 0.40 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1jpa h ALA 679 Cb 0.43 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jpa h ALA 679 CO -0.17 0.63 -0.05 0.66 0.00 0.00 0.00 179.25 180.32 1jpa h SER 680 N 0.18 0.00 0.00 0.00 4.64 -0.65 -0.32 113.55 117.40 1jpa h SER 680 Ca -0.18 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 1jpa h SER 680 Cb 1.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 1jpa h SER 680 CO 0.22 0.05 -0.76 0.40 -0.87 0.00 0.00 176.83 175.87 1jpa h ILE 681 N 0.00 0.34 -0.86 0.95 2.04 -0.91 -3.38 117.51 115.68 1jpa h ILE 681 Ca -0.00 -1.43 0.14 0.00 1.00 0.00 0.00 64.86 64.56 1jpa h ILE 681 Cb 0.34 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1jpa h ILE 681 CO 0.01 0.12 0.56 -0.03 0.00 0.00 0.00 178.15 178.80 1jpa h MET 682 N -1.00 0.64 0.00 2.37 4.05 -1.02 -1.00 114.93 118.98 1jpa h MET 682 Ca -0.13 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1jpa h MET 682 Cb 0.78 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1jpa h MET 682 CO -0.08 0.43 0.00 0.41 0.23 0.00 0.00 176.91 177.90 1jpa n GLY 683 N -1.45 -0.92 0.01 1.39 0.00 -0.14 -2.05 105.19 102.03 1jpa n GLY 683 Ca 0.16 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1jpa n GLY 683 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jpa n GLN 684 N -1.55 0.02 -4.08 1.61 6.02 -0.38 -4.86 117.38 114.15 1jpa n GLN 684 Ca 0.03 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 1jpa n GLN 684 Cb 0.14 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 29.82 1jpa n GLN 684 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1jpa s PHE 685 N -3.01 3.11 -0.36 1.08 2.99 -0.87 -5.01 117.98 115.90 1jpa s PHE 685 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 56.93 57.11 1jpa s PHE 685 Cb 0.18 -1.56 0.16 0.00 0.00 0.00 0.00 43.02 41.80 1jpa s PHE 685 CO 0.63 0.51 0.46 0.34 -0.00 0.00 0.00 175.22 177.16 1jpa s ASP 686 N -2.58 0.18 -0.11 1.36 2.15 -1.26 -4.88 116.67 111.53 1jpa s ASP 686 Ca 0.29 -1.08 -0.19 0.00 0.43 0.00 0.00 52.55 52.00 1jpa s ASP 686 Cb -0.11 1.10 0.04 0.00 -0.30 0.00 0.00 42.92 43.65 1jpa s ASP 686 CO 0.21 -0.25 0.47 -2.28 -0.17 0.00 0.00 175.17 173.15 1jpa s HIS 687 N 1.79 -0.46 0.66 -5.34 2.46 -1.26 -5.05 115.29 108.10 1jpa s HIS 687 Ca 0.15 0.99 0.41 0.00 0.47 0.00 0.00 55.06 57.08 1jpa s HIS 687 Cb -0.11 0.20 2.24 0.00 -0.13 0.00 0.00 32.58 34.77 1jpa s HIS 687 CO -0.10 -0.36 2.28 -1.35 -2.47 0.00 0.00 174.74 172.74 1jpa h PRO 688 N 4.53 0.00 -0.27 2.88 0.11 -1.99 -2.36 132.00 134.89 1jpa h PRO 688 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1jpa h PRO 688 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1jpa h PRO 688 CO 0.29 0.00 -0.02 0.09 -0.21 0.00 0.00 178.00 178.15 1jpa n ASN 689 N -3.10 3.28 -3.93 -2.05 3.02 -1.26 -4.83 115.26 106.39 1jpa n ASN 689 Ca -0.03 -3.28 -0.24 0.00 -0.03 0.00 0.00 54.58 51.00 1jpa n ASN 689 Cb 0.14 -0.57 -0.17 0.00 -0.61 0.00 0.00 39.78 38.58 1jpa n ASN 689 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jpa s VAL 690 N -2.98 0.91 -0.05 2.41 1.01 -0.89 -0.14 120.40 120.67 1jpa s VAL 690 Ca 0.42 -0.28 -0.39 0.00 0.00 0.00 0.00 61.98 61.73 1jpa s VAL 690 Cb 0.36 -0.90 -0.17 0.00 0.00 0.00 0.00 36.38 35.66 1jpa s VAL 690 CO 0.05 0.33 1.39 -0.38 0.00 0.00 0.00 175.10 176.49 1jpa n ILE 691 N 4.41 0.07 -2.81 2.22 2.08 -0.48 -4.57 119.36 120.28 1jpa n ILE 691 Ca -0.18 -0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.71 1jpa n ILE 691 Cb 0.51 -0.72 -0.03 0.00 -0.75 0.00 0.00 39.64 38.64 1jpa n ILE 691 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1jpa s HIS 692 N 1.24 3.62 -0.19 1.39 5.65 -1.26 -4.95 115.29 120.78 1jpa s HIS 692 Ca 0.90 1.55 -0.19 0.00 0.25 0.00 0.00 55.06 57.57 1jpa s HIS 692 Cb -1.08 -3.03 -0.03 0.00 -1.18 0.00 0.00 32.58 27.25 1jpa s HIS 692 CO 0.56 -0.01 0.55 -1.17 -0.65 0.00 0.00 174.74 174.02 1jpa s LEU 693 N 1.07 4.15 -0.11 8.88 2.96 -1.26 -2.01 118.68 132.36 1jpa s LEU 693 Ca 0.47 0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 54.91 1jpa s LEU 693 Cb -0.20 -2.77 -0.27 0.00 0.50 0.00 0.00 46.19 43.46 1jpa s LEU 693 CO 0.24 -0.20 0.63 -0.33 -1.32 0.00 0.00 176.35 175.37 1jpa h GLU 694 N 7.43 0.17 0.00 1.98 4.39 -0.65 -3.48 114.58 124.42 1jpa h GLU 694 Ca -0.33 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1jpa h GLU 694 Cb 1.15 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1jpa h GLU 694 CO 0.75 1.14 0.00 0.41 -1.16 0.00 0.00 179.01 180.15 1jpa n GLY 695 N 1.65 -1.48 3.22 -3.84 0.00 -0.93 -4.65 105.19 99.16 1jpa n GLY 695 Ca -0.20 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1jpa n GLY 695 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jpa s VAL 696 N -2.83 0.59 -0.23 1.61 -7.23 0.15 -0.54 120.40 111.92 1jpa s VAL 696 Ca 0.00 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1jpa s VAL 696 Cb 0.00 -2.07 0.07 0.00 0.56 0.00 0.00 36.38 34.93 1jpa s VAL 696 CO 0.00 -0.51 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.58 1jpa s VAL 697 N -3.72 1.19 0.00 1.32 1.01 -0.36 0.07 120.40 119.92 1jpa s VAL 697 Ca 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1jpa s VAL 697 Cb 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1jpa s VAL 697 CO 0.03 -0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.27 1jpa n THR 698 N 4.79 0.00 0.53 3.92 -2.24 -1.26 -2.31 114.28 117.70 1jpa n THR 698 Ca -0.10 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1jpa n THR 698 Cb 0.45 0.70 0.45 0.00 -2.10 0.00 0.00 70.33 69.83 1jpa n THR 698 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jpa n LYS 699 N -0.88 0.17 0.00 -0.78 4.76 -1.26 -4.98 118.16 115.18 1jpa n LYS 699 Ca 0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1jpa n LYS 699 Cb 0.00 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 1jpa n LYS 699 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1jpa n SER 700 N -2.07 0.00 -2.06 4.39 7.64 -1.26 -5.11 113.62 115.14 1jpa n SER 700 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1jpa n SER 700 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1jpa n SER 700 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jpa n PRO 702 N 0.00 0.08 -2.39 1.43 -0.04 -1.26 -5.07 135.00 127.76 1jpa n PRO 702 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1jpa n PRO 702 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1jpa n PRO 702 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jpa s VAL 703 N -0.90 4.03 0.11 0.52 1.01 -1.26 -4.81 120.40 119.09 1jpa s VAL 703 Ca 0.00 1.41 -0.09 0.00 0.00 0.00 0.00 61.98 63.31 1jpa s VAL 703 Cb 0.00 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1jpa s VAL 703 CO 0.00 0.04 0.21 0.00 0.00 0.00 0.00 175.10 175.35 1jpa s MET 704 N 1.81 0.92 -0.11 2.72 0.23 -0.98 0.71 119.30 124.60 1jpa s MET 704 Ca 0.59 -1.02 0.04 0.00 -1.03 0.00 0.00 55.69 54.26 1jpa s MET 704 Cb -0.28 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 1jpa s MET 704 CO 0.26 -0.30 -0.23 0.42 -2.03 0.00 0.00 175.02 173.13 1jpa s ILE 705 N -3.89 2.05 -0.19 3.16 1.01 -0.27 -1.22 121.20 121.85 1jpa s ILE 705 Ca 0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1jpa s ILE 705 Cb 0.05 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1jpa s ILE 705 CO -0.08 0.56 -0.02 -0.63 0.00 0.00 0.00 174.94 174.76 1jpa s ILE 706 N 0.45 3.77 0.26 2.92 1.01 0.30 -1.50 121.20 128.42 1jpa s ILE 706 Ca -0.16 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1jpa s ILE 706 Cb -0.17 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1jpa s ILE 706 CO 0.06 0.44 0.02 0.42 0.00 0.00 0.00 174.94 175.88 1jpa s THR 707 N 0.96 1.06 0.52 2.92 -4.23 -0.31 0.12 115.64 116.68 1jpa s THR 707 Ca 0.01 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 1jpa s THR 707 Cb -0.14 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.15 1jpa s THR 707 CO 0.01 -0.21 1.37 -1.83 -0.54 0.00 0.00 174.62 173.43 1jpa s GLU 708 N -3.88 3.30 0.01 3.99 -1.05 -0.85 -0.55 118.70 119.66 1jpa s GLU 708 Ca 0.31 2.28 -0.29 0.00 -0.15 0.00 0.00 54.97 57.13 1jpa s GLU 708 Cb 0.06 -2.37 -0.04 0.00 -0.44 0.00 0.00 34.13 31.35 1jpa s GLU 708 CO 0.11 -1.08 0.92 0.12 0.95 0.00 0.00 175.26 176.28 1jpa s PHE 709 N -1.28 3.68 -0.44 4.83 5.36 -1.25 -4.18 117.98 124.70 1jpa s PHE 709 Ca 0.69 1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 58.28 1jpa s PHE 709 Cb -0.41 -3.04 0.12 0.00 -0.34 0.00 0.00 43.02 39.35 1jpa s PHE 709 CO 0.50 0.06 0.21 -1.64 -1.46 0.00 0.00 175.22 172.89 1jpa s MET 710 N 0.74 1.97 0.31 10.12 -1.94 -1.26 -4.92 119.30 124.31 1jpa s MET 710 Ca 0.48 -2.03 0.06 0.00 -1.71 0.00 0.00 55.69 52.49 1jpa s MET 710 Cb -0.21 -3.50 0.84 0.00 2.01 0.00 0.00 34.83 33.98 1jpa s MET 710 CO 0.26 -1.06 1.64 0.93 -0.01 0.00 0.00 175.02 176.78 1jpa h GLU 711 N 7.63 0.21 -0.19 2.03 3.07 -1.85 -1.01 114.58 124.47 1jpa h GLU 711 Ca -0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1jpa h GLU 711 Cb 1.01 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1jpa h GLU 711 CO 0.66 0.14 0.00 0.09 -1.40 0.00 0.00 179.01 178.50 1jpa n ASN 712 N -5.20 1.26 0.00 1.42 3.02 0.23 -4.96 115.26 111.02 1jpa n ASN 712 Ca 0.25 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1jpa n ASN 712 Cb 0.80 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 1jpa n ASN 712 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jpa n GLY 713 N 0.96 1.50 3.73 7.41 0.00 -0.38 -4.56 105.19 113.85 1jpa n GLY 713 Ca 0.12 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1jpa n GLY 713 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jpa s SER 714 N -4.00 7.01 0.24 1.61 0.01 -1.26 -0.43 113.70 116.88 1jpa s SER 714 Ca 0.00 2.27 -0.05 0.00 1.31 0.00 0.00 55.95 59.48 1jpa s SER 714 Cb 0.00 -2.60 0.40 0.00 0.21 0.00 0.00 66.02 64.03 1jpa s SER 714 CO 0.00 -0.45 1.78 0.25 0.41 0.00 0.00 173.24 175.23 1jpa h LEU 715 N 5.53 0.52 -0.29 2.44 5.85 -0.89 0.37 115.31 128.85 1jpa h LEU 715 Ca -0.44 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1jpa h LEU 715 Cb 1.21 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1jpa h LEU 715 CO 0.77 0.28 0.09 -2.24 -0.34 0.00 0.00 178.44 176.99 1jpa h ASP 716 N 0.65 0.42 -0.36 1.25 2.03 -1.83 -0.60 116.42 117.98 1jpa h ASP 716 Ca 0.39 -0.21 -0.14 0.00 -0.73 0.00 0.00 57.03 56.34 1jpa h ASP 716 Cb 0.45 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.83 1jpa h ASP 716 CO -0.29 0.52 -0.32 0.77 -1.03 0.00 0.00 179.24 178.88 1jpa h SER 717 N 0.30 0.94 -0.85 4.15 4.64 -1.86 -1.90 113.55 118.96 1jpa h SER 717 Ca 0.09 -0.40 0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1jpa h SER 717 Cb 0.25 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1jpa h SER 717 CO -0.00 1.17 0.56 0.15 -0.87 0.00 0.00 176.83 177.84 1jpa h PHE 718 N 0.75 1.05 -0.29 4.77 3.57 -0.72 -1.22 116.94 124.85 1jpa h PHE 718 Ca 0.08 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 1jpa h PHE 718 Cb 0.89 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1jpa h PHE 718 CO 0.05 0.64 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.25 1jpa h LEU 719 N 1.11 0.79 -1.04 0.59 3.38 -0.98 -2.76 115.31 116.41 1jpa h LEU 719 Ca 0.33 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jpa h LEU 719 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1jpa h LEU 719 CO -0.09 1.12 0.34 0.03 0.09 0.00 0.00 178.44 179.93 1jpa h ARG 720 N 0.59 1.02 0.00 1.13 3.08 -0.75 -0.77 114.38 118.68 1jpa h ARG 720 Ca 0.04 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1jpa h ARG 720 Cb 1.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1jpa h ARG 720 CO 0.10 0.79 0.00 1.04 -1.07 0.00 0.00 179.97 180.83 1jpa n GLN 721 N -4.33 0.19 -2.51 0.04 6.02 -0.52 -3.18 117.38 113.10 1jpa n GLN 721 Ca 0.07 0.09 -0.11 0.00 -0.01 0.00 0.00 57.00 57.04 1jpa n GLN 721 Cb 0.14 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.93 1jpa n GLN 721 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jpa n ASN 722 N -1.38 2.95 -4.64 1.08 3.02 -0.38 -5.07 115.26 110.84 1jpa n ASN 722 Ca 0.09 -2.78 -0.53 0.00 -0.03 0.00 0.00 54.58 51.33 1jpa n ASN 722 Cb 0.22 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 1jpa n ASN 722 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jpa n ASP 723 N -0.61 2.09 -2.66 6.41 -0.08 -0.72 -0.87 116.55 120.13 1jpa n ASP 723 Ca 0.22 1.09 -0.15 0.00 -1.51 0.00 0.00 54.79 54.44 1jpa n ASP 723 Cb 0.86 -1.21 -0.00 0.00 2.34 0.00 0.00 41.12 43.11 1jpa n ASP 723 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jpa n GLY 724 N 3.19 -0.50 0.37 0.27 0.00 -1.26 -4.87 105.19 102.40 1jpa n GLY 724 Ca 0.21 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1jpa n GLY 724 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jpa n GLN 725 N -3.07 0.93 -4.37 1.61 1.13 -0.05 -4.98 117.38 108.58 1jpa n GLN 725 Ca -0.12 -0.74 -0.24 0.00 -1.94 0.00 0.00 57.00 53.95 1jpa n GLN 725 Cb 0.60 -1.48 -0.09 0.00 0.11 0.00 0.00 30.24 29.38 1jpa n GLN 725 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1jpa s PHE 726 N -2.59 2.50 0.73 1.08 0.40 -1.26 -5.13 117.98 113.71 1jpa s PHE 726 Ca 0.17 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 1jpa s PHE 726 Cb 0.18 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.62 1jpa s PHE 726 CO 0.62 0.64 1.08 0.95 0.70 0.00 0.00 175.22 179.21 1jpa s THR 727 N -2.28 3.59 0.24 0.64 -4.23 -1.26 -4.89 115.64 107.45 1jpa s THR 727 Ca 0.29 0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 1jpa s THR 727 Cb -0.06 -3.37 0.23 0.00 1.34 0.00 0.00 72.50 70.65 1jpa s THR 727 CO 0.17 -0.68 1.92 0.58 -0.54 0.00 0.00 174.62 176.07 1jpa h VAL 728 N -0.79 1.24 -0.40 2.29 2.07 -1.99 -2.05 116.25 116.62 1jpa h VAL 728 Ca -0.45 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1jpa h VAL 728 Cb 1.24 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1jpa h VAL 728 CO 0.60 0.24 0.12 0.40 0.02 0.00 0.00 177.57 178.95 1jpa h ILE 729 N 1.29 1.22 -0.72 4.57 1.08 -1.99 -0.65 117.51 122.30 1jpa h ILE 729 Ca 0.35 -0.72 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 1jpa h ILE 729 Cb -0.14 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 1jpa h ILE 729 CO -0.07 0.25 0.42 1.56 -0.69 0.00 0.00 178.15 179.62 1jpa h GLN 730 N 0.50 0.76 -0.41 2.37 4.20 -1.85 0.15 115.11 120.82 1jpa h GLN 730 Ca 0.13 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1jpa h GLN 730 Cb 0.26 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1jpa h GLN 730 CO -0.00 0.50 0.10 -0.07 -0.67 0.00 0.00 178.83 178.68 1jpa h LEU 731 N 0.78 0.63 -1.48 1.46 3.38 -1.11 -2.27 115.31 116.70 1jpa h LEU 731 Ca 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1jpa h LEU 731 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jpa h LEU 731 CO -0.17 0.70 0.11 0.58 0.09 0.00 0.00 178.44 179.75 1jpa h VAL 732 N 0.53 1.14 -0.29 1.22 2.07 -0.50 -1.48 116.25 118.94 1jpa h VAL 732 Ca 0.13 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1jpa h VAL 732 Cb 0.32 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1jpa h VAL 732 CO 0.00 0.17 0.01 1.23 0.02 0.00 0.00 177.57 179.00 1jpa h GLY 733 N 0.64 0.46 0.87 2.17 0.00 -0.19 0.11 103.07 107.13 1jpa h GLY 733 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1jpa h GLY 733 CO -0.01 0.24 -0.47 -0.33 0.00 0.00 0.00 176.54 175.97 1jpa h MET 734 N 0.42 0.52 -0.47 4.80 2.07 -0.78 -2.09 114.93 119.40 1jpa h MET 734 Ca 0.09 -0.41 -0.02 0.00 -2.07 0.00 0.00 59.70 57.30 1jpa h MET 734 Cb 0.27 0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.05 1jpa h MET 734 CO 0.01 1.03 0.21 -0.07 1.07 0.00 0.00 176.91 179.16 1jpa h LEU 735 N 0.12 0.59 -0.28 1.22 3.38 -0.82 -1.24 115.31 118.28 1jpa h LEU 735 Ca -0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1jpa h LEU 735 Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1jpa h LEU 735 CO 0.10 0.52 -0.03 -0.09 0.09 0.00 0.00 178.44 179.03 1jpa h ARG 736 N 0.66 0.52 -0.44 1.13 9.65 -0.73 -0.05 114.38 125.12 1jpa h ARG 736 Ca 0.17 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1jpa h ARG 736 Cb 0.09 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1jpa h ARG 736 CO -0.02 0.69 0.26 0.78 2.80 0.00 0.00 179.97 184.48 1jpa h GLY 737 N 0.29 0.64 0.94 2.80 0.00 -0.86 0.89 103.07 107.77 1jpa h GLY 737 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1jpa h GLY 737 CO 0.02 0.26 0.15 -2.22 0.00 0.00 0.00 176.54 174.75 1jpa h ILE 738 N 0.58 1.20 -0.37 2.60 2.04 -1.18 -1.98 117.51 120.41 1jpa h ILE 738 Ca 0.16 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1jpa h ILE 738 Cb 0.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1jpa h ILE 738 CO -0.03 0.23 0.10 0.00 0.00 0.00 0.00 178.15 178.45 1jpa h ALA 739 N 1.00 1.49 -0.40 1.87 0.00 -0.62 -0.94 119.26 121.65 1jpa h ALA 739 Ca 0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1jpa h ALA 739 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jpa h ALA 739 CO -0.01 0.38 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 1jpa h ALA 740 N 1.59 0.77 -0.10 0.00 0.00 -0.43 0.02 119.26 121.11 1jpa h ALA 740 Ca 0.12 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1jpa h ALA 740 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jpa h ALA 740 CO -0.01 0.65 -0.59 0.78 0.00 0.00 0.00 179.25 180.09 1jpa h GLY 741 N 0.92 0.35 1.41 0.00 0.00 -0.89 -1.99 103.07 102.88 1jpa h GLY 741 Ca 0.09 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1jpa h GLY 741 CO 0.07 0.38 -0.56 -0.33 0.00 0.00 0.00 176.54 176.10 1jpa h MET 742 N 0.24 0.61 -0.35 4.80 2.86 -0.96 -1.69 114.93 120.44 1jpa h MET 742 Ca -0.00 -0.40 0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1jpa h MET 742 Cb 1.10 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1jpa h MET 742 CO 0.10 1.01 0.18 -0.22 1.06 0.00 0.00 176.91 179.03 1jpa h LYS 743 N 0.47 0.36 -0.95 1.72 1.63 -0.85 0.27 116.57 119.21 1jpa h LYS 743 Ca 0.01 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1jpa h LYS 743 Cb 1.12 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.63 1jpa h LYS 743 CO 0.11 0.24 0.59 -0.92 -3.45 0.00 0.00 179.45 176.01 1jpa h TYR 744 N 0.37 1.23 -0.14 1.91 3.20 -1.20 0.10 116.97 122.43 1jpa h TYR 744 Ca 0.15 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1jpa h TYR 744 Cb 0.05 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 1jpa h TYR 744 CO -0.10 0.81 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.02 1jpa h LEU 745 N 1.30 0.37 -0.57 2.82 3.38 -0.74 -1.91 115.31 119.96 1jpa h LEU 745 Ca 0.34 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jpa h LEU 745 Cb -0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1jpa h LEU 745 CO -0.07 0.78 0.35 0.00 0.09 0.00 0.00 178.44 179.59 1jpa h ALA 746 N 0.61 0.73 -0.60 1.53 0.00 -0.21 0.17 119.26 121.49 1jpa h ALA 746 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jpa h ALA 746 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jpa h ALA 746 CO 0.04 0.08 0.35 -0.44 0.00 0.00 0.00 179.25 179.27 1jpa h ASP 747 N 0.69 0.72 0.00 0.00 3.32 -0.73 0.25 116.42 120.66 1jpa h ASP 747 Ca 0.23 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1jpa h ASP 747 Cb 0.01 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1jpa h ASP 747 CO -0.09 0.56 0.00 0.23 -1.72 0.00 0.00 179.24 178.22 1jpa n MET 748 N -4.41 0.83 -3.10 3.56 2.81 -0.49 -4.86 117.12 111.47 1jpa n MET 748 Ca 0.06 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.77 1jpa n MET 748 Cb 0.08 -1.35 0.05 0.00 -0.71 0.00 0.00 33.22 31.28 1jpa n MET 748 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1jpa n ASN 749 N -0.85 -5.29 -4.30 7.83 5.15 0.87 -0.39 115.26 118.28 1jpa n ASN 749 Ca 0.14 -0.32 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 1jpa n ASN 749 Cb 0.06 -4.01 -0.14 0.00 -0.53 0.00 0.00 39.78 35.16 1jpa n ASN 749 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1jpa s TYR 750 N -3.14 3.01 -0.24 1.20 5.04 0.49 -4.74 117.35 118.98 1jpa s TYR 750 Ca 0.35 -1.02 -0.16 0.00 -2.44 0.00 0.00 57.07 53.80 1jpa s TYR 750 Cb -0.15 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 1jpa s TYR 750 CO 0.43 -0.57 0.40 0.08 -1.34 0.00 0.00 175.55 174.54 1jpa s VAL 751 N 1.46 5.18 -0.00 3.14 1.01 -1.26 -3.98 120.40 125.95 1jpa s VAL 751 Ca 0.04 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 1jpa s VAL 751 Cb -0.15 -3.72 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 1jpa s VAL 751 CO -0.02 0.20 1.33 -0.74 0.00 0.00 0.00 175.10 175.87 1jpa h HIS 752 N 7.75 -0.04 0.00 5.22 2.76 -1.97 -3.47 115.15 125.40 1jpa h HIS 752 Ca -0.34 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 1jpa h HIS 752 Cb 1.16 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1jpa h HIS 752 CO 0.72 0.35 0.00 0.54 -1.30 0.00 0.00 177.93 178.23 1jpa n ARG 753 N -4.92 0.00 -2.36 5.26 1.74 -1.26 -4.73 116.66 110.38 1jpa n ARG 753 Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1jpa n ARG 753 Cb 0.21 -1.42 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1jpa n ARG 753 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jpa n ASP 754 N 0.00 1.90 -4.68 0.55 2.03 -1.26 -4.94 116.55 110.15 1jpa n ASP 754 Ca 0.00 -2.33 -0.42 0.00 0.52 0.00 0.00 54.79 52.56 1jpa n ASP 754 Cb 0.00 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 39.94 1jpa n ASP 754 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1jpa s LEU 755 N -2.98 4.36 0.01 -2.67 2.96 -1.26 -4.80 118.68 114.30 1jpa s LEU 755 Ca 0.32 2.44 -0.28 0.00 -0.22 0.00 0.00 54.13 56.39 1jpa s LEU 755 Cb 0.35 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.58 1jpa s LEU 755 CO -0.06 -0.90 0.81 0.00 -1.32 0.00 0.00 176.35 174.88 1jpa s ALA 756 N 3.07 -1.78 0.29 5.97 0.00 -1.26 -4.73 121.76 123.32 1jpa s ALA 756 Ca 0.75 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.67 1jpa s ALA 756 Cb -0.38 0.37 0.44 0.00 0.00 0.00 0.00 23.12 23.55 1jpa s ALA 756 CO 0.32 -0.64 1.94 0.00 0.00 0.00 0.00 175.76 177.38 1jpa h ALA 757 N 2.15 1.43 0.00 0.00 0.00 -1.92 0.15 119.26 121.06 1jpa h ALA 757 Ca -0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jpa h ALA 757 Cb 1.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jpa h ALA 757 CO 0.33 0.50 0.00 0.07 0.00 0.00 0.00 179.25 180.15 1jpa h ARG 758 N 1.13 0.00 -0.72 0.00 0.11 -1.93 -1.15 114.38 111.82 1jpa h ARG 758 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 1jpa h ARG 758 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1jpa h ARG 758 CO -0.10 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.06 1jpa n ASN 759 N -2.59 4.23 -4.52 0.08 3.02 0.53 -4.74 115.26 111.27 1jpa n ASN 759 Ca -0.01 -2.14 -0.34 0.00 -0.03 0.00 0.00 54.58 52.07 1jpa n ASN 759 Cb 0.12 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.65 1jpa n ASN 759 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jpa s ILE 760 N -1.26 3.69 0.11 2.41 -1.09 -0.44 -0.97 121.20 123.65 1jpa s ILE 760 Ca 0.50 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 1jpa s ILE 760 Cb 0.28 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1jpa s ILE 760 CO 0.31 0.55 0.08 -0.76 -1.23 0.00 0.00 174.94 173.88 1jpa s LEU 761 N -0.17 3.72 -0.08 2.97 1.43 -0.25 -0.66 118.68 125.64 1jpa s LEU 761 Ca 0.02 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1jpa s LEU 761 Cb -0.13 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1jpa s LEU 761 CO 0.03 0.14 -0.17 -0.69 0.23 0.00 0.00 176.35 175.89 1jpa s VAL 762 N -1.50 1.47 0.40 -1.59 1.01 0.43 -0.91 120.40 119.71 1jpa s VAL 762 Ca 0.29 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1jpa s VAL 762 Cb -0.11 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.04 1jpa s VAL 762 CO 0.22 0.43 0.55 -0.46 0.00 0.00 0.00 175.10 175.84 1jpa n ASN 763 N 3.69 0.80 0.26 3.32 6.94 -0.65 -0.60 115.26 129.01 1jpa n ASN 763 Ca -0.21 -1.66 0.10 0.00 -0.02 0.00 0.00 54.58 52.78 1jpa n ASN 763 Cb 0.52 -0.35 0.68 0.00 -2.36 0.00 0.00 39.78 38.27 1jpa n ASN 763 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1jpa h SER 764 N -0.30 0.00 -0.45 0.53 4.64 -1.91 -1.49 113.55 114.57 1jpa h SER 764 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1jpa h SER 764 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1jpa h SER 764 CO 0.20 0.10 0.00 0.59 -0.87 0.00 0.00 176.83 176.85 1jpa n ASN 765 N -4.04 2.63 -0.07 4.97 5.03 -1.26 -4.89 115.26 117.62 1jpa n ASN 765 Ca -0.02 -2.07 -0.01 0.00 0.87 0.00 0.00 54.58 53.35 1jpa n ASN 765 Cb 0.19 -0.34 -0.00 0.00 -1.02 0.00 0.00 39.78 38.60 1jpa n ASN 765 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1jpa n LEU 766 N 0.79 0.21 -4.73 3.41 4.77 -0.56 -4.98 117.00 115.90 1jpa n LEU 766 Ca 0.16 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1jpa n LEU 766 Cb 0.44 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1jpa n LEU 766 CO 0.12 -0.32 0.92 -0.69 -1.33 0.00 0.00 177.39 176.09 1jpa s VAL 767 N -1.76 3.55 -0.15 4.08 1.01 -1.26 -4.77 120.40 121.10 1jpa s VAL 767 Ca 0.00 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.15 1jpa s VAL 767 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1jpa s VAL 767 CO 0.00 0.17 0.07 0.00 0.00 0.00 0.00 175.10 175.34 1jpa s LYS 769 N -0.12 1.04 0.21 0.00 1.02 -0.08 -4.30 119.74 117.51 1jpa s LYS 769 Ca 0.08 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 1jpa s LYS 769 Cb -0.12 -0.98 -0.09 0.00 -0.52 0.00 0.00 37.83 36.13 1jpa s LYS 769 CO 0.01 0.20 1.29 0.08 -0.92 0.00 0.00 175.35 176.01 1jpa s VAL 770 N -0.06 3.21 0.00 3.17 1.01 0.81 -1.09 120.40 127.45 1jpa s VAL 770 Ca 0.01 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1jpa s VAL 770 Cb -0.07 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1jpa s VAL 770 CO 0.00 0.17 0.00 -1.54 0.00 0.00 0.00 175.10 173.73 1jpa n SER 771 N 2.40 0.59 -2.80 3.32 3.41 -0.15 -1.38 113.62 119.00 1jpa n SER 771 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.56 1jpa n SER 771 Cb 0.43 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1jpa n SER 771 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jpa n ASP 772 N 0.00 -5.62 -3.69 4.04 4.64 -1.26 -4.86 116.55 109.79 1jpa n ASP 772 Ca 0.00 -0.48 -0.41 0.00 -1.38 0.00 0.00 54.79 52.52 1jpa n ASP 772 Cb 0.00 -4.09 0.01 0.00 -1.04 0.00 0.00 41.12 36.01 1jpa n ASP 772 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1jpa n PHE 773 N -2.66 2.70 0.00 -0.67 3.01 -1.26 -4.96 117.46 113.62 1jpa n PHE 773 Ca -0.05 -2.63 0.00 0.00 1.01 0.00 0.00 57.45 55.79 1jpa n PHE 773 Cb 0.58 -1.18 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1jpa n PHE 773 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1jpa n PRO 797 N 0.25 0.00 -0.15 -1.08 -0.02 -1.26 -4.46 135.00 128.28 1jpa n PRO 797 Ca 0.42 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.87 1jpa n PRO 797 Cb 0.28 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.81 1jpa n PRO 797 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jpa h ILE 798 N 0.00 0.62 0.00 4.25 1.08 -2.00 0.21 117.51 121.66 1jpa h ILE 798 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1jpa h ILE 798 Cb 0.00 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1jpa h ILE 798 CO 0.00 0.02 0.00 -2.11 -0.69 0.00 0.00 178.15 175.37 1jpa n ARG 799 N -5.24 0.60 -0.00 2.37 1.85 -1.26 -1.61 116.66 113.36 1jpa n ARG 799 Ca 0.05 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.91 1jpa n ARG 799 Cb 0.25 -1.26 -0.02 0.00 -1.05 0.00 0.00 32.46 30.39 1jpa n ARG 799 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1jpa n TRP 800 N -0.76 0.00 -3.67 2.89 8.01 0.58 -4.98 117.44 119.52 1jpa n TRP 800 Ca 0.07 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.89 1jpa n TRP 800 Cb 0.03 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.31 29.25 1jpa n TRP 800 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1jpa s THR 801 N -1.54 5.25 0.61 -0.99 2.01 -0.37 -3.81 115.64 116.79 1jpa s THR 801 Ca 0.01 0.56 -0.16 0.00 0.31 0.00 0.00 61.69 62.40 1jpa s THR 801 Cb 0.03 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1jpa s THR 801 CO 0.15 0.59 1.09 0.00 -0.69 0.00 0.00 174.62 175.76 1jpa s ALA 802 N -1.00 2.63 0.14 7.40 0.00 -1.26 -4.87 121.76 124.80 1jpa s ALA 802 Ca 0.20 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1jpa s ALA 802 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1jpa s ALA 802 CO 0.09 -0.98 1.58 -1.35 0.00 0.00 0.00 175.76 175.10 1jpa h PRO 803 N 0.42 -0.39 0.00 0.00 0.11 -1.96 -0.85 132.00 129.34 1jpa h PRO 803 Ca -0.47 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1jpa h PRO 803 Cb 1.24 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jpa h PRO 803 CO 0.56 -0.26 -0.04 0.93 -0.21 0.00 0.00 178.00 178.98 1jpa h GLU 804 N -0.40 0.00 0.00 1.05 3.07 -1.90 0.11 114.58 116.51 1jpa h GLU 804 Ca 0.11 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.78 1jpa h GLU 804 Cb 0.60 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1jpa h GLU 804 CO -0.49 0.04 -0.89 0.00 -1.40 0.00 0.00 179.01 176.28 1jpa h ALA 805 N 1.96 0.54 0.08 3.43 0.00 -1.24 -2.28 119.26 121.74 1jpa h ALA 805 Ca -0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 1jpa h ALA 805 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jpa h ALA 805 CO 0.01 1.09 -1.41 0.82 0.00 0.00 0.00 179.25 179.75 1jpa h ILE 806 N 0.01 0.96 0.14 0.00 2.04 -0.59 -2.43 117.51 117.64 1jpa h ILE 806 Ca -0.01 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 1jpa h ILE 806 Cb 1.56 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 1jpa h ILE 806 CO 0.12 0.63 -0.07 -0.61 0.00 0.00 0.00 178.15 178.22 1jpa h GLN 807 N -0.45 -0.18 -0.42 2.37 4.15 -0.93 -3.32 115.11 116.32 1jpa h GLN 807 Ca -0.32 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1jpa h GLN 807 Cb 1.66 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.39 1jpa h GLN 807 CO -0.01 0.19 0.00 0.66 -1.93 0.00 0.00 178.83 177.74 1jpa n TYR 808 N -5.00 0.71 -2.98 3.99 4.02 -0.88 -4.97 117.16 112.06 1jpa n TYR 808 Ca -0.09 -0.57 -0.19 0.00 -0.01 0.00 0.00 57.90 57.05 1jpa n TYR 808 Cb 0.23 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1jpa n TYR 808 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jpa n ARG 809 N 0.59 -3.20 -3.34 -0.72 1.74 -0.91 -4.92 116.66 105.90 1jpa n ARG 809 Ca 0.16 0.58 -0.44 0.00 -0.77 0.00 0.00 57.85 57.39 1jpa n ARG 809 Cb 0.57 -5.27 -0.08 0.00 -1.02 0.00 0.00 32.46 26.65 1jpa n ARG 809 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jpa s LYS 810 N -5.62 3.03 -0.18 5.56 1.02 -1.10 -4.96 119.74 117.49 1jpa s LYS 810 Ca 0.24 -1.07 -0.07 0.00 0.02 0.00 0.00 55.97 55.10 1jpa s LYS 810 Cb -0.12 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.09 1jpa s LYS 810 CO 0.30 -0.98 0.04 -0.06 -0.92 0.00 0.00 175.35 173.74 1jpa s PHE 811 N 1.95 3.19 0.27 3.18 0.40 -1.26 -3.61 117.98 122.10 1jpa s PHE 811 Ca 0.08 -0.05 -0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1jpa s PHE 811 Cb -0.21 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1jpa s PHE 811 CO 0.10 0.06 0.40 0.95 0.70 0.00 0.00 175.22 177.44 1jpa s THR 812 N 0.49 0.00 0.53 0.64 -4.23 -1.26 -4.98 115.64 106.84 1jpa s THR 812 Ca 0.02 -1.61 0.27 0.00 -1.18 0.00 0.00 61.69 59.19 1jpa s THR 812 Cb -0.13 -2.43 0.32 0.00 1.34 0.00 0.00 72.50 71.60 1jpa s THR 812 CO 0.01 0.00 2.19 0.28 -0.54 0.00 0.00 174.62 176.56 1jpa h SER 813 N 2.27 0.00 0.33 3.99 0.02 -1.97 0.43 113.55 118.62 1jpa h SER 813 Ca -0.29 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.54 1jpa h SER 813 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1jpa h SER 813 CO 0.40 0.04 -0.51 0.00 -1.14 0.00 0.00 176.83 175.62 1jpa h ALA 814 N 1.96 1.00 -0.44 3.77 0.00 -1.94 -0.87 119.26 122.73 1jpa h ALA 814 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1jpa h ALA 814 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1jpa h ALA 814 CO 0.01 0.66 -0.19 1.03 0.00 0.00 0.00 179.25 180.76 1jpa h SER 815 N 0.16 0.88 -0.27 0.00 0.87 -0.58 -2.80 113.55 111.81 1jpa h SER 815 Ca 0.00 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 1jpa h SER 815 Cb 0.96 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1jpa h SER 815 CO 0.08 1.05 -0.09 0.44 -0.53 0.00 0.00 176.83 177.77 1jpa h ASP 816 N 0.76 0.64 -0.92 6.23 3.32 -0.40 -2.68 116.42 123.38 1jpa h ASP 816 Ca 0.11 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.04 1jpa h ASP 816 Cb 0.72 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 1jpa h ASP 816 CO 0.06 0.77 0.60 0.58 -1.72 0.00 0.00 179.24 179.53 1jpa h VAL 817 N 0.61 1.11 -0.59 -1.35 2.07 -0.92 0.33 116.25 117.50 1jpa h VAL 817 Ca 0.11 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1jpa h VAL 817 Cb 0.52 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1jpa h VAL 817 CO 0.03 0.20 0.30 -0.25 0.02 0.00 0.00 177.57 177.87 1jpa h TRP 818 N 1.09 0.84 -0.83 1.57 2.91 -1.37 -0.40 115.95 119.77 1jpa h TRP 818 Ca 0.38 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.34 1jpa h TRP 818 Cb 0.12 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.47 1jpa h TRP 818 CO -0.00 0.63 0.39 0.77 -1.03 0.00 0.00 178.44 179.20 1jpa h SER 819 N 0.81 1.09 -0.78 2.65 0.02 -0.95 -1.90 113.55 114.49 1jpa h SER 819 Ca 0.21 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1jpa h SER 819 Cb 0.09 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1jpa h SER 819 CO -0.03 0.92 0.50 0.22 -1.14 0.00 0.00 176.83 177.30 1jpa h TYR 820 N 1.18 1.00 -0.61 3.45 3.20 0.33 -0.75 116.97 124.77 1jpa h TYR 820 Ca 0.28 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1jpa h TYR 820 Cb 0.13 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1jpa h TYR 820 CO 0.01 0.65 0.38 0.78 -1.64 0.00 0.00 178.16 178.34 1jpa h GLY 821 N 1.08 0.88 1.00 1.82 0.00 -0.31 0.28 103.07 107.83 1jpa h GLY 821 Ca 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1jpa h GLY 821 CO -0.06 0.35 0.36 -2.22 0.00 0.00 0.00 176.54 174.97 1jpa h ILE 822 N 0.83 1.22 -0.97 2.60 1.08 -0.78 -1.96 117.51 119.53 1jpa h ILE 822 Ca 0.22 -0.57 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1jpa h ILE 822 Cb -0.04 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.00 1jpa h ILE 822 CO -0.04 0.24 0.64 0.58 -0.69 0.00 0.00 178.15 178.88 1jpa h VAL 823 N 0.93 1.19 -0.48 1.67 2.07 -0.50 0.30 116.25 121.42 1jpa h VAL 823 Ca 0.24 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1jpa h VAL 823 Cb 0.06 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.64 1jpa h VAL 823 CO -0.04 0.23 0.29 0.24 0.02 0.00 0.00 177.57 178.31 1jpa h MET 824 N 1.24 0.57 -0.35 1.57 2.86 -0.24 0.13 114.93 120.71 1jpa h MET 824 Ca 0.38 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1jpa h MET 824 Cb -0.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1jpa h MET 824 CO -0.11 0.37 0.18 2.35 1.06 0.00 0.00 176.91 180.77 1jpa h TRP 825 N 0.58 0.49 -0.68 -0.22 7.01 -0.67 -0.18 115.95 122.27 1jpa h TRP 825 Ca 0.19 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.23 1jpa h TRP 825 Cb 0.01 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 1jpa h TRP 825 CO -0.07 0.40 0.39 0.93 -2.79 0.00 0.00 178.44 177.31 1jpa h GLU 826 N 0.43 0.70 -0.33 2.65 5.08 -0.44 0.63 114.58 123.31 1jpa h GLU 826 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1jpa h GLU 826 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1jpa h GLU 826 CO -0.02 0.47 -0.00 0.28 -1.00 0.00 0.00 179.01 178.73 1jpa h VAL 827 N 0.72 1.26 0.00 3.13 2.07 -0.46 0.20 116.25 123.17 1jpa h VAL 827 Ca 0.30 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1jpa h VAL 827 Cb 0.17 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1jpa h VAL 827 CO -0.17 0.32 -0.08 0.24 0.02 0.00 0.00 177.57 177.89 1jpa h MET 828 N 0.38 0.00 -0.46 1.57 2.86 -0.53 -2.03 114.93 116.72 1jpa h MET 828 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1jpa h MET 828 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1jpa h MET 828 CO 0.02 0.08 0.00 0.43 1.06 0.00 0.00 176.91 178.50 1jpa n SER 829 N -3.23 2.87 -3.71 1.22 7.64 0.17 -4.68 113.62 113.89 1jpa n SER 829 Ca 0.00 -1.95 -0.22 0.00 1.01 0.00 0.00 58.87 57.71 1jpa n SER 829 Cb 0.34 -0.30 0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1jpa n SER 829 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jpa n TYR 830 N 1.08 -1.89 -0.77 1.43 4.02 -0.73 -2.97 117.16 117.32 1jpa n TYR 830 Ca 0.18 0.82 0.00 0.00 -0.01 0.00 0.00 57.90 58.90 1jpa n TYR 830 Cb 0.48 -4.31 0.00 0.00 -0.02 0.00 0.00 39.34 35.48 1jpa n TYR 830 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jpa n GLY 831 N -1.61 0.64 3.73 2.72 0.00 0.62 -3.18 105.19 108.11 1jpa n GLY 831 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1jpa n GLY 831 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jpa s GLU 832 N -0.23 2.35 0.04 1.61 2.56 -1.16 -4.87 118.70 119.01 1jpa s GLU 832 Ca 0.00 1.83 -0.30 0.00 0.00 0.00 0.00 54.97 56.50 1jpa s GLU 832 Cb 0.00 -1.85 -0.04 0.00 2.00 0.00 0.00 34.13 34.24 1jpa s GLU 832 CO 0.00 -1.69 1.04 0.50 -0.56 0.00 0.00 175.26 174.55 1jpa s ARG 833 N -3.71 4.55 0.13 4.30 3.52 -1.26 -4.74 118.95 121.74 1jpa s ARG 833 Ca 0.77 1.53 -0.32 0.00 -0.13 0.00 0.00 55.73 57.57 1jpa s ARG 833 Cb -0.31 -3.41 -0.12 0.00 -1.56 0.00 0.00 34.95 29.55 1jpa s ARG 833 CO 0.42 -0.05 1.74 -2.30 -0.81 0.00 0.00 175.30 174.31 1jpa n PRO 834 N 3.62 2.55 -1.19 5.12 -0.02 -1.26 -1.15 135.00 142.67 1jpa n PRO 834 Ca 0.06 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.40 1jpa n PRO 834 Cb 0.49 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 1jpa n PRO 834 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jpa n TYR 835 N 4.71 0.00 -0.23 6.00 4.01 -1.26 -4.84 117.16 125.54 1jpa n TYR 835 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1jpa n TYR 835 Cb 0.34 -1.71 0.00 0.00 -0.31 0.00 0.00 39.34 37.65 1jpa n TYR 835 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1jpa n TRP 836 N -2.56 0.00 0.34 -0.72 8.01 -0.30 -1.72 117.44 120.48 1jpa n TRP 836 Ca -0.07 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.27 1jpa n TRP 836 Cb 0.34 0.00 0.57 0.00 -2.01 0.00 0.00 31.31 30.21 1jpa n TRP 836 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1jpa h ASP 837 N 0.47 0.00 -1.77 -0.99 3.32 -1.88 -3.47 116.42 112.10 1jpa h ASP 837 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1jpa h ASP 837 Cb 0.00 0.00 0.16 0.00 0.22 0.00 0.00 39.33 39.71 1jpa h ASP 837 CO 0.00 0.00 -0.99 0.23 -1.72 0.00 0.00 179.24 176.76 1jpa n MET 838 N -2.75 0.01 -2.91 3.56 2.81 -0.70 -4.96 117.12 112.17 1jpa n MET 838 Ca 0.02 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.69 1jpa n MET 838 Cb 0.30 -1.01 0.02 0.00 -0.71 0.00 0.00 33.22 31.82 1jpa n MET 838 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1jpa s THR 839 N -1.76 3.68 0.00 2.03 2.01 -1.26 -4.88 115.64 115.46 1jpa s THR 839 Ca 0.59 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1jpa s THR 839 Cb -0.60 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1jpa s THR 839 CO 0.64 -0.25 1.18 0.59 -0.69 0.00 0.00 174.62 176.08 1jpa n ASN 840 N -2.13 1.87 0.00 3.53 5.03 -1.26 -1.00 115.26 121.30 1jpa n ASN 840 Ca 0.03 -1.68 0.00 0.00 0.87 0.00 0.00 54.58 53.80 1jpa n ASN 840 Cb 0.58 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 1jpa n ASN 840 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1jpa n ASP 842 N 2.35 0.00 0.03 6.41 8.00 -1.26 -2.88 116.55 129.21 1jpa n ASP 842 Ca 0.08 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 1jpa n ASP 842 Cb 0.25 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.27 1jpa n ASP 842 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1jpa h VAL 843 N 0.00 1.16 -0.68 2.53 2.07 -1.41 0.16 116.25 120.07 1jpa h VAL 843 Ca 0.00 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.72 1jpa h VAL 843 Cb 0.00 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1jpa h VAL 843 CO 0.00 0.21 0.42 0.40 0.02 0.00 0.00 177.57 178.61 1jpa h ILE 844 N -0.47 1.06 -0.41 4.57 2.04 -1.78 0.49 117.51 123.01 1jpa h ILE 844 Ca -0.01 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1jpa h ILE 844 Cb 0.41 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1jpa h ILE 844 CO 0.02 0.15 -0.05 0.78 0.00 0.00 0.00 178.15 179.04 1jpa h ASN 845 N 0.80 0.75 -0.67 1.72 2.35 -1.79 -2.65 115.58 116.09 1jpa h ASN 845 Ca 0.28 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1jpa h ASN 845 Cb 0.07 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1jpa h ASN 845 CO -0.13 0.91 0.45 0.00 -1.65 0.00 0.00 177.43 177.01 1jpa h ALA 846 N 0.87 0.86 -0.39 -0.83 0.00 -0.07 -1.43 119.26 118.27 1jpa h ALA 846 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jpa h ALA 846 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jpa h ALA 846 CO 0.03 0.28 0.25 0.82 0.00 0.00 0.00 179.25 180.63 1jpa h ILE 847 N 0.91 1.10 -0.42 0.00 1.08 -0.81 0.29 117.51 119.66 1jpa h ILE 847 Ca 0.25 -0.19 -0.13 0.00 -0.39 0.00 0.00 64.86 64.40 1jpa h ILE 847 Cb -0.10 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 1jpa h ILE 847 CO -0.05 0.10 -0.26 -0.33 -0.69 0.00 0.00 178.15 176.92 1jpa h GLU 848 N 0.52 0.92 -0.65 2.37 4.39 -0.93 -2.57 114.58 118.62 1jpa h GLU 848 Ca 0.14 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1jpa h GLU 848 Cb -0.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1jpa h GLU 848 CO -0.03 1.08 0.00 1.04 -1.16 0.00 0.00 179.01 179.94 1jpa n GLN 849 N -4.15 0.77 -2.52 2.33 6.02 -0.55 -4.78 117.38 114.50 1jpa n GLN 849 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 1jpa n GLN 849 Cb 0.47 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1jpa n GLN 849 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1jpa n ASP 850 N 0.02 -5.77 -4.79 1.08 8.00 -0.97 -4.98 116.55 109.14 1jpa n ASP 850 Ca 0.00 -0.08 -0.37 0.00 0.71 0.00 0.00 54.79 55.05 1jpa n ASP 850 Cb 0.16 -4.75 -0.06 0.00 -0.02 0.00 0.00 41.12 36.45 1jpa n ASP 850 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1jpa s TYR 851 N -3.03 3.75 -0.04 1.24 5.04 -0.02 -5.01 117.35 119.28 1jpa s TYR 851 Ca 0.07 1.61 -0.02 0.00 -2.44 0.00 0.00 57.07 56.29 1jpa s TYR 851 Cb -0.03 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.52 1jpa s TYR 851 CO 0.08 0.35 0.09 1.03 -1.34 0.00 0.00 175.55 175.75 1jpa s ARG 852 N -1.75 0.07 0.19 4.97 1.81 -1.26 -4.43 118.95 118.55 1jpa s ARG 852 Ca 0.43 0.18 -0.32 0.00 -1.72 0.00 0.00 55.73 54.30 1jpa s ARG 852 Cb -0.19 -0.05 -0.15 0.00 -0.45 0.00 0.00 34.95 34.11 1jpa s ARG 852 CO 0.24 -0.07 1.27 1.28 -0.68 0.00 0.00 175.30 177.34 1jpa n LEU 853 N 3.45 2.13 -4.77 2.53 4.77 -1.26 -4.96 117.00 118.90 1jpa n LEU 853 Ca -0.18 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.65 1jpa n LEU 853 Cb 0.56 -1.30 0.12 0.00 -2.33 0.00 0.00 43.42 40.48 1jpa n LEU 853 CO 0.22 -0.98 0.69 -2.16 -1.33 0.00 0.00 177.39 173.84 1jpa s PRO 854 N -0.33 1.54 0.16 3.23 0.04 -1.26 -4.98 135.00 133.41 1jpa s PRO 854 Ca 0.72 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1jpa s PRO 854 Cb -0.78 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 1jpa s PRO 854 CO 0.51 -1.99 1.35 -1.25 0.04 0.00 0.00 177.00 175.65 1jpa s PRO 855 N -5.10 4.35 1.08 0.56 0.04 -1.26 -4.99 135.00 129.69 1jpa s PRO 855 Ca 0.62 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1jpa s PRO 855 Cb -0.16 -3.22 0.24 0.00 0.04 0.00 0.00 34.50 31.41 1jpa s PRO 855 CO 0.55 -0.34 1.07 -2.14 0.04 0.00 0.00 177.00 176.18 1jpa s PRO 856 N 0.41 -0.31 0.19 0.56 0.02 -1.26 -4.87 135.00 129.74 1jpa s PRO 856 Ca 0.60 1.15 -0.31 0.00 0.02 0.00 0.00 61.00 62.46 1jpa s PRO 856 Cb -0.37 -1.60 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1jpa s PRO 856 CO 0.35 -3.41 1.59 1.41 -0.33 0.00 0.00 177.00 176.61 1jpa s MET 857 N -4.49 4.19 -0.87 5.54 1.75 -1.26 -1.91 119.30 122.24 1jpa s MET 857 Ca 0.68 2.42 0.00 0.00 -1.25 0.00 0.00 55.69 57.54 1jpa s MET 857 Cb -0.25 -3.12 0.00 0.00 2.84 0.00 0.00 34.83 34.30 1jpa s MET 857 CO 0.63 -0.62 0.00 -0.25 -0.65 0.00 0.00 175.02 174.12 1jpa n ASP 858 N 3.69 -4.82 -4.69 1.11 10.43 -1.26 -4.97 116.55 116.05 1jpa n ASP 858 Ca 0.13 0.20 -0.41 0.00 2.57 0.00 0.00 54.79 57.28 1jpa n ASP 858 Cb 0.38 -3.04 -0.04 0.00 1.84 0.00 0.00 41.12 40.26 1jpa n ASP 858 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jpa n PRO 860 N 4.66 2.01 -0.35 0.00 -0.02 -1.26 -4.86 135.00 135.18 1jpa n PRO 860 Ca 0.04 0.71 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1jpa n PRO 860 Cb 0.50 -2.29 0.20 0.00 -0.02 0.00 0.00 33.50 31.89 1jpa n PRO 860 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1jpa h SER 861 N 2.40 0.99 -0.95 2.55 0.02 -1.89 -2.04 113.55 114.63 1jpa h SER 861 Ca -0.46 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1jpa h SER 861 Cb 1.29 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 1jpa h SER 861 CO 0.62 0.63 0.62 0.00 -1.14 0.00 0.00 176.83 177.56 1jpa h ALA 862 N 1.48 1.21 -0.56 3.77 0.00 -1.90 -1.58 119.26 121.67 1jpa h ALA 862 Ca 0.42 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1jpa h ALA 862 Cb 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jpa h ALA 862 CO -0.16 0.62 0.05 -0.07 0.00 0.00 0.00 179.25 179.68 1jpa h LEU 863 N 1.30 0.93 -0.84 0.00 3.38 -1.74 -2.02 115.31 116.32 1jpa h LEU 863 Ca 0.35 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1jpa h LEU 863 Cb -0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 1jpa h LEU 863 CO -0.07 0.98 -0.29 -0.74 0.09 0.00 0.00 178.44 178.41 1jpa h HIS 864 N 0.85 0.61 -0.75 1.13 2.76 -1.22 -2.05 115.15 116.47 1jpa h HIS 864 Ca 0.17 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1jpa h HIS 864 Cb 0.47 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 1jpa h HIS 864 CO 0.03 0.77 0.47 0.37 -1.30 0.00 0.00 177.93 178.27 1jpa h GLN 865 N 0.46 1.02 -0.40 5.26 5.75 -1.03 0.51 115.11 126.68 1jpa h GLN 865 Ca 0.06 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1jpa h GLN 865 Cb 0.74 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1jpa h GLN 865 CO 0.06 0.71 0.13 1.25 -2.65 0.00 0.00 178.83 178.33 1jpa h LEU 866 N 1.03 0.52 -0.15 -2.39 5.85 -0.93 -0.07 115.31 119.16 1jpa h LEU 866 Ca 0.27 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1jpa h LEU 866 Cb -0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1jpa h LEU 866 CO -0.05 0.49 0.01 0.24 -0.34 0.00 0.00 178.44 178.79 1jpa h MET 867 N 0.57 0.26 -0.87 1.25 2.86 -0.45 -2.03 114.93 116.52 1jpa h MET 867 Ca 0.14 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1jpa h MET 867 Cb 0.16 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 1jpa h MET 867 CO -0.01 0.47 0.53 -0.07 1.06 0.00 0.00 176.91 178.89 1jpa h LEU 868 N 0.02 0.82 -0.72 1.22 3.38 -0.20 -1.17 115.31 118.65 1jpa h LEU 868 Ca 0.04 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1jpa h LEU 868 Cb 0.35 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1jpa h LEU 868 CO 0.01 0.50 0.43 0.44 0.09 0.00 0.00 178.44 179.91 1jpa h ASP 869 N 0.94 0.67 0.67 -0.43 3.45 -0.75 -1.29 116.42 119.67 1jpa h ASP 869 Ca 0.39 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.83 1jpa h ASP 869 Cb 0.24 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1jpa h ASP 869 CO -0.20 0.44 -0.19 0.00 -1.57 0.00 0.00 179.24 177.72 1jpa n TRP 871 N -3.51 2.67 -2.55 0.00 8.01 -0.49 -3.67 117.44 117.90 1jpa n TRP 871 Ca -0.01 -2.27 -0.42 0.00 -1.31 0.00 0.00 57.50 53.50 1jpa n TRP 871 Cb 0.35 -1.11 -0.03 0.00 -2.01 0.00 0.00 31.31 28.51 1jpa n TRP 871 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1jpa s GLN 872 N -3.04 4.49 0.21 -0.99 -1.52 -1.16 -4.93 119.66 112.71 1jpa s GLN 872 Ca 0.52 1.62 -0.13 0.00 -1.95 0.00 0.00 55.36 55.42 1jpa s GLN 872 Cb 0.42 -3.39 0.24 0.00 -0.22 0.00 0.00 33.01 30.05 1jpa s GLN 872 CO 0.03 -0.16 1.64 -0.22 -0.25 0.00 0.00 175.29 176.34 1jpa h LYS 873 N 6.74 0.03 -5.91 2.91 3.64 -1.93 -3.34 116.57 118.71 1jpa h LYS 873 Ca -0.41 -0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.36 1jpa h LYS 873 Cb 1.22 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.92 1jpa h LYS 873 CO 0.78 0.02 0.46 0.34 -2.27 0.00 0.00 179.45 178.78 1jpa s ASP 874 N -5.23 6.56 0.58 4.20 2.15 -1.26 -4.86 116.67 118.81 1jpa s ASP 874 Ca -0.14 0.33 0.28 0.00 0.43 0.00 0.00 52.55 53.45 1jpa s ASP 874 Cb 0.19 -2.42 1.49 0.00 -0.30 0.00 0.00 42.92 41.88 1jpa s ASP 874 CO 0.73 -0.83 1.94 0.08 -0.17 0.00 0.00 175.17 176.93 1jpa h ARG 875 N 8.62 0.00 0.00 4.34 0.11 -1.95 0.25 114.38 125.74 1jpa h ARG 875 Ca -0.24 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.78 1jpa h ARG 875 Cb 1.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 1jpa h ARG 875 CO 0.95 0.00 -0.28 -0.91 0.10 0.00 0.00 179.97 179.83 1jpa h ASN 876 N 0.00 0.00 0.67 0.08 2.35 -1.91 -2.62 115.58 114.15 1jpa h ASN 876 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1jpa h ASN 876 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1jpa h ASN 876 CO -0.00 0.28 -0.41 1.41 -1.65 0.00 0.00 177.43 177.06 1jpa n HIS 877 N -3.85 0.09 -2.36 1.19 8.25 0.07 -4.89 115.22 113.72 1jpa n HIS 877 Ca -0.02 0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1jpa n HIS 877 Cb 0.36 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1jpa n HIS 877 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1jpa s ARG 878 N -3.02 4.28 0.72 -0.41 0.52 -0.99 -4.96 118.95 115.08 1jpa s ARG 878 Ca 0.11 1.83 -0.14 0.00 -0.52 0.00 0.00 55.73 57.01 1jpa s ARG 878 Cb 0.17 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.82 1jpa s ARG 878 CO 0.67 -0.12 1.13 -1.25 0.02 0.00 0.00 175.30 175.75 1jpa s PRO 879 N -2.01 2.40 0.43 3.54 0.04 -1.26 -5.03 135.00 133.10 1jpa s PRO 879 Ca 0.52 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 1jpa s PRO 879 Cb -0.31 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1jpa s PRO 879 CO 0.39 -1.58 0.78 0.15 0.04 0.00 0.00 177.00 176.79 1jpa s LYS 880 N -4.23 3.71 0.44 4.56 -0.14 -1.26 -4.91 119.74 117.92 1jpa s LYS 880 Ca 0.68 0.40 0.15 0.00 -1.36 0.00 0.00 55.97 55.84 1jpa s LYS 880 Cb -0.22 -2.38 1.07 0.00 -1.68 0.00 0.00 37.83 34.61 1jpa s LYS 880 CO 0.46 -0.09 1.97 0.74 -0.76 0.00 0.00 175.35 177.67 1jpa h PHE 881 N 0.97 0.41 -0.62 3.18 -1.00 -1.93 0.19 116.94 118.14 1jpa h PHE 881 Ca -0.47 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.34 1jpa h PHE 881 Cb 1.19 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.58 1jpa h PHE 881 CO 0.60 0.18 0.40 0.78 -1.61 0.00 0.00 178.31 178.66 1jpa h GLY 882 N 0.38 0.89 1.23 -1.45 0.00 -1.93 -0.83 103.07 101.36 1jpa h GLY 882 Ca 0.30 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1jpa h GLY 882 CO -0.08 0.28 -0.25 1.46 0.00 0.00 0.00 176.54 177.95 1jpa h GLN 883 N 0.79 0.87 -0.11 4.80 4.20 -1.41 -2.45 115.11 121.81 1jpa h GLN 883 Ca 0.24 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1jpa h GLN 883 Cb -0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1jpa h GLN 883 CO -0.08 1.02 -0.00 0.82 -0.67 0.00 0.00 178.83 179.92 1jpa h ILE 884 N 0.75 0.92 -0.31 2.54 2.04 -0.50 -0.41 117.51 122.54 1jpa h ILE 884 Ca 0.09 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1jpa h ILE 884 Cb 0.80 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1jpa h ILE 884 CO 0.07 0.01 0.10 0.58 0.00 0.00 0.00 178.15 178.91 1jpa h VAL 885 N 0.04 0.91 -0.52 1.67 2.07 -1.11 -0.78 116.25 118.53 1jpa h VAL 885 Ca 0.05 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1jpa h VAL 885 Cb 0.06 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1jpa h VAL 885 CO -0.09 0.04 0.23 0.78 0.02 0.00 0.00 177.57 178.56 1jpa h ASN 886 N 0.24 0.30 -0.33 0.57 2.35 -1.03 0.17 115.58 117.85 1jpa h ASN 886 Ca 0.14 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1jpa h ASN 886 Cb 0.12 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1jpa h ASN 886 CO -0.15 0.21 0.15 0.74 -1.65 0.00 0.00 177.43 176.73 1jpa h THR 887 N 0.45 1.17 -0.66 2.81 2.02 -0.62 -1.33 112.91 116.75 1jpa h THR 887 Ca 0.24 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1jpa h THR 887 Cb 0.20 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1jpa h THR 887 CO -0.20 0.18 0.22 -0.07 0.37 0.00 0.00 175.52 176.02 1jpa h LEU 888 N 0.40 0.95 -1.72 2.58 3.38 -0.66 -1.42 115.31 118.82 1jpa h LEU 888 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1jpa h LEU 888 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1jpa h LEU 888 CO -0.01 0.89 -0.09 0.44 0.09 0.00 0.00 178.44 179.76 1jpa h ASP 889 N 0.95 0.05 -0.10 -0.43 3.45 -0.49 -1.88 116.42 117.98 1jpa h ASP 889 Ca 0.22 -0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.51 1jpa h ASP 889 Cb 0.27 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1jpa h ASP 889 CO -0.01 0.16 -0.58 0.50 -1.57 0.00 0.00 179.24 177.74 1jpa h LYS 890 N 0.06 0.56 -0.52 3.56 1.63 -0.39 -2.10 116.57 119.37 1jpa h LYS 890 Ca 0.01 -0.48 0.02 0.00 -0.85 0.00 0.00 60.65 59.36 1jpa h LYS 890 Cb 0.21 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 1jpa h LYS 890 CO 0.01 1.10 0.31 0.52 -3.45 0.00 0.00 179.45 177.95 1jpa h MET 891 N 0.18 0.61 -0.87 1.90 2.86 -0.97 0.34 114.93 118.97 1jpa h MET 891 Ca -0.05 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1jpa h MET 891 Cb 1.23 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1jpa h MET 891 CO 0.12 0.40 0.49 0.82 1.06 0.00 0.00 176.91 179.80 1jpa h ILE 892 N 0.63 1.25 -0.60 -1.22 2.04 -1.34 -2.38 117.51 115.89 1jpa h ILE 892 Ca 0.20 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1jpa h ILE 892 Cb 0.01 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1jpa h ILE 892 CO -0.09 0.28 0.04 0.03 0.00 0.00 0.00 178.15 178.41 1jpa h ARG 893 N 1.21 1.02 -3.00 2.37 2.47 -0.59 -3.33 114.38 114.53 1jpa h ARG 893 Ca 0.31 -0.30 -0.63 0.00 -1.26 0.00 0.00 59.98 58.10 1jpa h ARG 893 Cb 0.01 -0.11 -0.41 0.00 -1.65 0.00 0.00 29.97 27.81 1jpa h ARG 893 CO -0.05 0.98 -0.47 0.09 0.56 0.00 0.00 179.97 181.08 1jpa n ASN 894 N -4.20 3.40 -0.14 7.04 5.03 0.11 -4.94 115.26 121.56 1jpa n ASN 894 Ca 0.03 -3.24 0.27 0.00 0.87 0.00 0.00 54.58 52.52 1jpa n ASN 894 Cb 0.32 -0.81 0.72 0.00 -1.02 0.00 0.00 39.78 38.99 1jpa n ASN 894 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1jpa h PRO 895 N 5.32 0.00 0.00 3.52 0.11 -1.58 -0.04 132.00 139.33 1jpa h PRO 895 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1jpa h PRO 895 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1jpa h PRO 895 CO 0.77 0.00 -0.12 -0.91 -0.21 0.00 0.00 178.00 177.53 1jpa h ASN 896 N 0.00 0.00 0.39 -2.05 2.35 -1.92 -1.21 115.58 113.14 1jpa h ASN 896 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1jpa h ASN 896 Cb 1.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1jpa h ASN 896 CO -0.00 0.12 0.00 0.77 -1.65 0.00 0.00 177.43 176.66 1jpa h SER 897 N 0.00 0.00 1.02 5.81 4.64 -1.30 -1.05 113.55 122.67 1jpa h SER 897 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1jpa h SER 897 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1jpa h SER 897 CO 0.01 0.00 -0.98 -0.07 -0.87 0.00 0.00 176.83 174.92 1jpa h LEU 898 N 0.00 0.00 0.00 5.97 3.38 -1.38 -3.41 115.31 119.87 1jpa h LEU 898 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jpa h LEU 898 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jpa h LEU 898 CO 0.00 0.04 0.00 0.29 0.09 0.00 0.00 178.44 178.86