#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 0.41 0.14 -0.18 2.07 -1.26 -4.68 121.20 117.70 1jpa s ILE 603 Ca 0.00 -0.85 -0.30 0.00 -1.41 0.00 0.00 60.65 58.09 1jpa s ILE 603 Cb 0.00 -0.47 -0.07 0.00 0.13 0.00 0.00 42.46 42.05 1jpa s ILE 603 CO 0.00 -0.30 1.13 0.12 -1.91 0.00 0.00 174.94 173.98 1jpa s PHE 604 N -1.11 3.54 -0.24 3.50 5.36 0.16 -5.04 117.98 124.15 1jpa s PHE 604 Ca -0.09 1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.38 1jpa s PHE 604 Cb -0.08 -3.32 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 1jpa s PHE 604 CO 0.00 -0.80 -0.07 0.42 -1.46 0.00 0.00 175.22 173.31 1jpa s ILE 605 N 0.17 2.86 -0.06 3.12 -1.09 -1.26 -4.97 121.20 119.96 1jpa s ILE 605 Ca 0.52 -0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 1jpa s ILE 605 Cb -0.29 -2.41 -0.07 0.00 -1.58 0.00 0.00 42.46 38.10 1jpa s ILE 605 CO 0.33 0.26 2.08 -0.67 -1.23 0.00 0.00 174.94 175.71 1jpa n ASP 606 N 4.68 3.82 0.19 3.58 -0.08 -1.26 -4.83 116.55 122.64 1jpa n ASP 606 Ca -0.17 0.62 0.14 0.00 -1.51 0.00 0.00 54.79 53.87 1jpa n ASP 606 Cb 0.48 -1.54 0.73 0.00 2.34 0.00 0.00 41.12 43.12 1jpa n ASP 606 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jpa h PRO 607 N 12.42 0.00 0.00 -0.67 0.13 -1.95 -0.47 132.00 141.46 1jpa h PRO 607 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jpa h PRO 607 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jpa h PRO 607 CO 0.95 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.91 1jpa n PHE 608 N -4.26 0.00 0.93 1.56 0.99 -1.26 -1.89 117.46 113.53 1jpa n PHE 608 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.58 1jpa n PHE 608 Cb 0.26 0.00 0.24 0.00 -1.00 0.00 0.00 39.48 38.97 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 -0.90 0.05 -2.39 4.37 -2.24 -0.18 -4.85 114.28 108.14 1jpa n THR 609 Ca 0.16 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.49 1jpa n THR 609 Cb 0.07 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 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 -3.03 3.45 0.43 4.78 0.40 -0.79 -4.89 117.98 118.33 1jpa s PHE 610 Ca 0.10 1.61 0.12 0.00 -0.60 0.00 0.00 56.93 58.16 1jpa s PHE 610 Cb 0.17 -3.39 1.00 0.00 0.51 0.00 0.00 43.02 41.31 1jpa s PHE 610 CO 0.70 -0.91 1.99 0.93 0.70 0.00 0.00 175.22 178.64 1jpa h GLU 611 N 3.91 0.43 -3.94 0.44 5.08 -1.88 -3.31 114.58 115.30 1jpa h GLU 611 Ca -0.47 -0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 57.26 1jpa h GLU 611 Cb 1.21 -0.10 -0.40 0.00 0.50 0.00 0.00 28.75 29.97 1jpa h GLU 611 CO 0.68 0.28 -0.75 0.34 -1.00 0.00 0.00 179.01 178.56 1jpa s ASP 612 N -6.33 4.25 0.55 1.42 2.15 -1.26 -5.01 116.67 112.44 1jpa s ASP 612 Ca -0.08 -1.78 0.39 0.00 0.43 0.00 0.00 52.55 51.51 1jpa s ASP 612 Cb 0.19 -1.11 1.57 0.00 -0.30 0.00 0.00 42.92 43.27 1jpa s ASP 612 CO 0.75 -0.40 1.76 -0.65 -0.17 0.00 0.00 175.17 176.46 1jpa h PRO 613 N 7.93 0.00 0.00 4.34 0.11 -1.80 0.33 132.00 142.91 1jpa h PRO 613 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1jpa h PRO 613 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jpa h PRO 613 CO 0.48 0.00 -0.10 -0.91 -0.21 0.00 0.00 178.00 177.26 1jpa h ASN 614 N 0.00 0.00 -0.70 -2.05 2.35 -1.94 -2.24 115.58 111.00 1jpa h ASN 614 Ca 0.61 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.29 1jpa h ASN 614 Cb 2.49 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.83 1jpa h ASN 614 CO -0.01 0.10 0.15 -0.08 -1.65 0.00 0.00 177.43 175.94 1jpa h GLU 615 N 0.00 1.14 -0.65 0.81 4.57 -0.74 -2.06 114.58 117.66 1jpa h GLU 615 Ca -0.00 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 1jpa h GLU 615 Cb 0.32 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1jpa h GLU 615 CO 0.01 1.02 0.35 0.00 -1.18 0.00 0.00 179.01 179.21 1jpa h ALA 616 N 1.07 1.40 -0.11 2.92 0.00 -1.53 -1.80 119.26 121.21 1jpa h ALA 616 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jpa h ALA 616 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jpa h ALA 616 CO 0.01 0.49 0.05 0.28 0.00 0.00 0.00 179.25 180.08 1jpa h VAL 617 N 0.90 1.15 0.00 0.00 2.07 -1.37 -1.03 116.25 117.96 1jpa h VAL 617 Ca 0.23 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1jpa h VAL 617 Cb 0.03 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1jpa h VAL 617 CO -0.04 0.13 -0.24 0.08 0.02 0.00 0.00 177.57 177.53 1jpa h ARG 618 N 0.03 0.00 0.16 1.57 0.11 -1.13 -0.47 114.38 114.65 1jpa h ARG 618 Ca 0.04 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.84 1jpa h ARG 618 Cb 0.17 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.28 1jpa h ARG 618 CO -0.00 0.24 -1.20 0.93 0.10 0.00 0.00 179.97 180.03 1jpa h GLU 619 N 0.00 0.53 -0.02 0.08 5.08 -1.05 -3.38 114.58 115.82 1jpa h GLU 619 Ca -0.00 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.57 1jpa h GLU 619 Cb 0.44 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jpa h GLU 619 CO 0.03 1.36 -0.23 1.19 -1.00 0.00 0.00 179.01 180.36 1jpa n PHE 620 N -3.86 0.00 -4.81 4.33 0.99 -0.42 -4.96 117.46 108.74 1jpa n PHE 620 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.04 1jpa n PHE 620 Cb 0.98 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 39.29 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 -1.79 1.55 -0.05 4.37 0.00 -0.19 -4.19 121.76 121.47 1jpa s ALA 621 Ca 0.16 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1jpa s ALA 621 Cb 0.14 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1jpa s ALA 621 CO 0.35 0.21 1.04 0.21 0.00 0.00 0.00 175.76 177.57 1jpa s LYS 622 N 0.39 4.46 -0.23 0.00 2.20 -1.26 -4.57 119.74 120.74 1jpa s LYS 622 Ca -0.12 1.47 -0.29 0.00 -0.36 0.00 0.00 55.97 56.67 1jpa s LYS 622 Cb -0.15 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1jpa s LYS 622 CO 0.04 -0.23 1.14 -2.00 -0.36 0.00 0.00 175.35 173.94 1jpa s GLU 623 N 1.60 4.20 -0.16 4.03 2.56 -1.26 -0.54 118.70 129.13 1jpa s GLU 623 Ca 0.51 1.41 -0.06 0.00 0.00 0.00 0.00 54.97 56.84 1jpa s GLU 623 Cb -0.21 -3.71 -0.04 0.00 2.00 0.00 0.00 34.13 32.17 1jpa s GLU 623 CO 0.23 -0.73 0.05 0.42 -0.56 0.00 0.00 175.26 174.67 1jpa s ILE 624 N 3.45 4.68 0.16 -3.70 1.01 0.12 -4.91 121.20 122.02 1jpa s ILE 624 Ca 0.49 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.75 1jpa s ILE 624 Cb -0.17 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 1jpa s ILE 624 CO 0.11 0.50 1.40 -0.62 0.00 0.00 0.00 174.94 176.33 1jpa s ASP 625 N 0.09 6.79 0.55 3.58 2.15 -1.26 -4.47 116.67 124.10 1jpa s ASP 625 Ca 0.04 2.43 0.27 0.00 0.43 0.00 0.00 52.55 55.72 1jpa s ASP 625 Cb -0.12 -2.60 1.45 0.00 -0.30 0.00 0.00 42.92 41.35 1jpa s ASP 625 CO 0.01 -0.65 1.99 -0.29 -0.17 0.00 0.00 175.17 176.06 1jpa h ILE 626 N 3.99 0.62 0.00 4.11 2.10 -1.95 0.38 117.51 126.76 1jpa h ILE 626 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1jpa h ILE 626 Cb 1.21 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1jpa h ILE 626 CO 0.84 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 176.37 1jpa n SER 627 N -4.17 0.00 0.02 2.19 3.41 -1.26 -1.25 113.62 112.56 1jpa n SER 627 Ca 0.09 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1jpa n SER 627 Cb 0.59 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 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 -3.39 5.27 -0.24 0.00 1.01 -0.38 -1.50 120.40 121.16 1jpa s VAL 629 Ca -0.03 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 1jpa s VAL 629 Cb 0.13 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.98 1jpa s VAL 629 CO 0.86 0.49 0.06 -0.54 0.00 0.00 0.00 175.10 175.97 1jpa s LYS 630 N -0.25 0.61 -0.11 2.72 1.02 -0.56 -5.00 119.74 118.16 1jpa s LYS 630 Ca 0.18 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1jpa s LYS 630 Cb -0.14 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1jpa s LYS 630 CO 0.06 -0.79 1.21 0.42 -0.92 0.00 0.00 175.35 175.33 1jpa s ILE 631 N 1.82 4.32 -0.13 2.17 1.01 -1.26 -1.72 121.20 127.42 1jpa s ILE 631 Ca 0.03 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 1jpa s ILE 631 Cb -0.17 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1jpa s ILE 631 CO -0.16 -0.07 -0.21 -0.62 0.00 0.00 0.00 174.94 173.88 1jpa n GLU 632 N 5.84 0.38 -4.14 2.79 -0.58 0.02 -4.98 120.64 119.98 1jpa n GLU 632 Ca 0.12 0.32 -0.09 0.00 -0.42 0.00 0.00 57.16 57.09 1jpa n GLU 632 Cb 0.46 -1.36 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 1jpa n GLU 632 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1jpa s GLN 633 N -2.23 0.75 -0.27 3.49 0.74 -1.05 -5.00 119.66 116.09 1jpa s GLN 633 Ca -0.17 -1.29 -0.17 0.00 0.05 0.00 0.00 55.36 53.78 1jpa s GLN 633 Cb 0.02 -0.04 -0.03 0.00 1.10 0.00 0.00 33.01 34.06 1jpa s GLN 633 CO 0.25 -0.05 0.46 0.08 -0.55 0.00 0.00 175.29 175.48 1jpa s VAL 634 N -3.74 5.10 0.00 1.34 1.01 -1.26 -0.33 120.40 122.52 1jpa s VAL 634 Ca 0.10 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1jpa s VAL 634 Cb 0.06 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1jpa s VAL 634 CO -0.07 0.10 0.00 -0.38 0.00 0.00 0.00 175.10 174.75 1jpa n ILE 635 N 5.16 0.00 -3.54 2.22 2.08 0.24 -4.94 119.36 120.58 1jpa n ILE 635 Ca -0.06 0.47 0.00 0.00 0.56 0.00 0.00 62.75 63.72 1jpa n ILE 635 Cb 0.50 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 1jpa n ILE 635 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1jpa n GLY 636 N 2.02 4.75 3.64 7.39 0.00 -0.69 -5.00 105.19 117.31 1jpa n GLY 636 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 3.16 0.41 4.61 0.00 -1.26 -1.05 121.76 125.64 1jpa s ALA 637 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1jpa s ALA 637 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1jpa s ALA 637 CO 0.00 0.58 0.24 0.20 0.00 0.00 0.00 175.76 176.78 1jpa s GLY 638 N -0.86 2.26 0.42 0.00 0.00 0.31 -4.80 107.32 104.64 1jpa s GLY 638 Ca 0.13 -2.03 0.14 0.00 0.00 0.00 0.00 44.72 42.96 1jpa s GLY 638 CO 0.02 -1.84 1.93 -2.09 0.00 0.00 0.00 173.10 171.12 1jpa h GLU 639 N 1.31 0.00 -0.01 2.90 4.81 -1.97 -3.16 114.58 118.47 1jpa h GLU 639 Ca -0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1jpa h GLU 639 Cb 1.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1jpa h GLU 639 CO 0.66 0.26 -0.02 1.19 -0.73 0.00 0.00 179.01 180.37 1jpa n PHE 640 N -4.24 0.00 -0.09 0.92 3.01 -1.26 -5.08 117.46 110.73 1jpa n PHE 640 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1jpa n PHE 640 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 0.41 -0.63 3.90 1.37 0.00 -1.20 -0.02 105.19 109.03 1jpa n GLY 641 Ca 0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1jpa n GLY 641 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jpa s GLU 642 N -1.15 3.67 -0.23 1.61 2.02 -1.21 0.12 118.70 123.53 1jpa s GLU 642 Ca 0.00 0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 1jpa s GLU 642 Cb 0.00 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1jpa s GLU 642 CO 0.00 0.24 -0.06 0.08 0.02 0.00 0.00 175.26 175.54 1jpa s VAL 643 N -2.02 3.07 0.42 2.63 1.01 -0.21 -1.61 120.40 123.69 1jpa s VAL 643 Ca 0.45 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1jpa s VAL 643 Cb -0.11 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1jpa s VAL 643 CO 0.28 0.34 0.04 0.00 0.00 0.00 0.00 175.10 175.76 1jpa s SER 645 N -3.69 3.15 0.00 0.00 1.04 0.55 -0.32 113.70 114.43 1jpa s SER 645 Ca 0.25 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1jpa s SER 645 Cb 0.06 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1jpa s SER 645 CO 0.13 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1jpa n GLY 646 N -0.05 0.69 3.29 7.32 0.00 -0.36 -0.80 105.19 115.27 1jpa n GLY 646 Ca -0.10 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.05 1.89 -0.13 1.61 3.76 -0.70 -0.54 115.29 119.12 1jpa s HIS 647 Ca 0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 1jpa s HIS 647 Cb 0.00 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.63 1jpa s HIS 647 CO 0.00 0.17 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.74 1jpa s LEU 648 N -1.61 1.75 -0.33 0.89 2.96 0.33 -1.50 118.68 121.16 1jpa s LEU 648 Ca 0.08 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1jpa s LEU 648 Cb -0.10 -1.18 0.07 0.00 0.50 0.00 0.00 46.19 45.48 1jpa s LEU 648 CO 0.03 -0.01 0.06 -0.75 -1.32 0.00 0.00 176.35 174.36 1jpa s LYS 649 N 1.22 2.30 -0.14 1.98 2.20 -0.57 -1.48 119.74 125.25 1jpa s LYS 649 Ca -0.01 -1.42 0.09 0.00 -0.36 0.00 0.00 55.97 54.27 1jpa s LYS 649 Cb -0.14 -3.29 -0.15 0.00 -1.51 0.00 0.00 37.83 32.74 1jpa s LYS 649 CO -0.06 -0.74 -0.02 1.28 -0.36 0.00 0.00 175.35 175.45 1jpa n LEU 650 N 4.61 0.93 0.00 5.43 4.77 -1.26 -4.62 117.00 126.86 1jpa n LEU 650 Ca -0.10 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1jpa n LEU 650 Cb 0.43 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1jpa n LEU 650 CO 0.28 0.47 0.00 -1.14 -1.33 0.00 0.00 177.39 175.67 1jpa n ARG 654 N -2.65 0.00 -1.98 3.23 0.63 -1.26 -5.12 116.66 109.51 1jpa n ARG 654 Ca -0.24 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.29 1jpa n ARG 654 Cb 0.90 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.81 1jpa n ARG 654 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1jpa s GLU 655 N 0.00 4.02 0.07 -0.14 2.12 -1.26 -5.02 118.70 118.49 1jpa s GLU 655 Ca 0.00 2.28 0.02 0.00 0.36 0.00 0.00 54.97 57.63 1jpa s GLU 655 Cb 0.00 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 1jpa s GLU 655 CO 0.00 -0.50 -0.07 0.96 -0.54 0.00 0.00 175.26 175.12 1jpa s ILE 656 N -1.20 0.57 0.37 -3.70 -4.36 -0.55 -4.96 121.20 107.38 1jpa s ILE 656 Ca 0.55 -1.55 -0.25 0.00 -0.26 0.00 0.00 60.65 59.14 1jpa s ILE 656 Cb -0.41 -1.19 -0.09 0.00 1.25 0.00 0.00 42.46 42.02 1jpa s ILE 656 CO 0.53 -0.68 1.08 -0.36 0.24 0.00 0.00 174.94 175.75 1jpa s PHE 657 N -2.69 3.30 0.08 1.37 0.40 -1.26 -0.51 117.98 118.67 1jpa s PHE 657 Ca 0.02 1.64 -0.08 0.00 -0.60 0.00 0.00 56.93 57.91 1jpa s PHE 657 Cb -0.01 -3.21 -0.00 0.00 0.51 0.00 0.00 43.02 40.31 1jpa s PHE 657 CO -0.03 -0.72 0.17 0.14 0.70 0.00 0.00 175.22 175.48 1jpa s VAL 658 N -1.51 0.15 -0.09 -0.44 -7.23 0.30 -3.84 120.40 107.74 1jpa s VAL 658 Ca 0.55 -1.22 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 1jpa s VAL 658 Cb -0.26 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 1jpa s VAL 658 CO 0.32 -0.67 0.22 0.00 -0.31 0.00 0.00 175.10 174.66 1jpa s ALA 659 N -3.78 3.82 -0.08 1.32 0.00 0.21 -1.22 121.76 122.03 1jpa s ALA 659 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1jpa s ALA 659 Cb 0.05 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 21.09 1jpa s ALA 659 CO -0.10 0.56 -0.07 0.42 0.00 0.00 0.00 175.76 176.57 1jpa s ILE 660 N -0.99 0.87 -0.14 0.00 1.01 0.56 -0.95 121.20 121.56 1jpa s ILE 660 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1jpa s ILE 660 Cb -0.13 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1jpa s ILE 660 CO 0.07 0.32 -0.01 -0.54 0.00 0.00 0.00 174.94 174.78 1jpa s LYS 661 N 1.38 3.49 0.16 2.79 1.02 -0.22 0.62 119.74 128.99 1jpa s LYS 661 Ca -0.02 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.61 1jpa s LYS 661 Cb -0.14 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 1jpa s LYS 661 CO -0.04 0.40 -0.15 0.95 -0.92 0.00 0.00 175.35 175.59 1jpa s THR 662 N -0.05 2.91 -0.27 2.17 -4.23 -0.63 -1.52 115.64 114.02 1jpa s THR 662 Ca 0.03 -1.68 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 1jpa s THR 662 Cb -0.13 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1jpa s THR 662 CO 0.02 -0.04 0.17 -0.22 -0.54 0.00 0.00 174.62 174.01 1jpa s LEU 663 N -2.57 4.00 0.17 4.79 2.96 -0.54 -3.30 118.68 124.19 1jpa s LEU 663 Ca 0.22 0.01 -0.34 0.00 -0.22 0.00 0.00 54.13 53.80 1jpa s LEU 663 Cb -0.09 -2.10 -0.15 0.00 0.50 0.00 0.00 46.19 44.35 1jpa s LEU 663 CO 0.12 -0.02 1.40 2.29 -1.32 0.00 0.00 176.35 178.82 1jpa n LYS 664 N 4.86 1.72 -1.72 1.98 2.85 0.97 -4.55 118.16 124.28 1jpa n LYS 664 Ca -0.14 0.62 -0.38 0.00 -1.05 0.00 0.00 58.31 57.36 1jpa n LYS 664 Cb 0.52 -2.28 0.06 0.00 -0.65 0.00 0.00 35.03 32.68 1jpa n LYS 664 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1jpa n SER 665 N 2.60 2.10 0.00 -5.58 3.41 -1.26 -3.15 113.62 111.74 1jpa n SER 665 Ca 0.15 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 1jpa n SER 665 Cb 0.27 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 1jpa n SER 665 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jpa n GLY 666 N 0.92 0.57 3.79 5.00 0.00 -1.26 -5.04 105.19 109.17 1jpa n GLY 666 Ca 0.14 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 2.96 0.65 1.61 -0.85 -1.19 -5.06 117.35 113.47 1jpa s TYR 667 Ca 0.00 1.58 -0.04 0.00 -0.52 0.00 0.00 57.07 58.08 1jpa s TYR 667 Cb 0.00 -3.14 0.05 0.00 0.38 0.00 0.00 41.96 39.25 1jpa s TYR 667 CO 0.00 -0.99 0.93 0.95 -1.52 0.00 0.00 175.55 174.92 1jpa s THR 668 N -1.87 2.56 0.20 -3.49 -4.23 -1.26 -4.91 115.64 102.63 1jpa s THR 668 Ca 0.67 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 1jpa s THR 668 Cb -0.19 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.70 1jpa s THR 668 CO 0.23 -0.06 1.81 -0.08 -0.54 0.00 0.00 174.62 175.98 1jpa h GLU 669 N -0.35 0.63 -0.41 3.99 4.57 -1.99 -1.79 114.58 119.22 1jpa h GLU 669 Ca -0.44 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 1jpa h GLU 669 Cb 1.30 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1jpa h GLU 669 CO 0.58 0.42 0.02 -0.22 -1.18 0.00 0.00 179.01 178.63 1jpa h LYS 670 N 0.65 0.71 -0.92 1.92 3.64 -1.99 -1.35 116.57 119.24 1jpa h LYS 670 Ca 0.26 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jpa h LYS 670 Cb 0.12 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1jpa h LYS 670 CO -0.15 0.79 0.61 1.96 -2.27 0.00 0.00 179.45 180.39 1jpa h GLN 671 N 0.55 1.21 -0.46 1.90 4.20 -1.85 0.14 115.11 120.81 1jpa h GLN 671 Ca 0.12 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1jpa h GLN 671 Cb 0.46 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1jpa h GLN 671 CO 0.02 0.80 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.87 1jpa h ARG 672 N 1.25 0.82 0.32 1.46 2.43 -1.13 -1.24 114.38 118.28 1jpa h ARG 672 Ca 0.34 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1jpa h ARG 672 Cb -0.14 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1jpa h ARG 672 CO -0.07 0.88 -0.15 -0.09 -1.51 0.00 0.00 179.97 179.03 1jpa h ARG 673 N 0.66 -0.41 -0.93 0.20 2.43 -0.45 -1.22 114.38 114.66 1jpa h ARG 673 Ca 0.13 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1jpa h ARG 673 Cb 0.53 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1jpa h ARG 673 CO 0.03 -0.20 0.59 -0.44 -1.51 0.00 0.00 179.97 178.43 1jpa h ASP 674 N -0.53 1.09 0.31 -3.80 3.32 -0.74 -1.01 116.42 115.06 1jpa h ASP 674 Ca -0.04 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1jpa h ASP 674 Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1jpa h ASP 674 CO 0.07 0.82 -0.23 0.15 -1.72 0.00 0.00 179.24 178.33 1jpa h PHE 675 N 1.27 -0.60 0.00 4.55 3.57 -1.09 -2.69 116.94 121.94 1jpa h PHE 675 Ca 0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1jpa h PHE 675 Cb -0.10 0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1jpa h PHE 675 CO -0.00 -0.35 0.00 -0.07 -2.23 0.00 0.00 178.31 175.66 1jpa h LEU 676 N -0.54 0.00 -1.52 0.59 3.38 -1.00 -2.74 115.31 113.48 1jpa h LEU 676 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1jpa h LEU 676 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1jpa h LEU 676 CO 0.00 0.00 -0.13 0.77 0.09 0.00 0.00 178.44 179.18 1jpa h SER 677 N 0.00 0.14 -0.98 -0.43 4.64 -0.83 -0.57 113.55 115.51 1jpa h SER 677 Ca 0.00 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1jpa h SER 677 Cb 0.36 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 1jpa h SER 677 CO 0.00 0.29 0.62 -0.08 -0.87 0.00 0.00 176.83 176.79 1jpa h GLU 678 N 0.14 0.99 0.00 4.77 4.81 -1.57 -0.32 114.58 123.40 1jpa h GLU 678 Ca 0.03 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.97 1jpa h GLU 678 Cb 0.32 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jpa h GLU 678 CO 0.02 0.65 -0.96 0.00 -0.73 0.00 0.00 179.01 177.99 1jpa h ALA 679 N 1.51 0.31 0.00 2.92 0.00 -1.34 0.42 119.26 123.09 1jpa h ALA 679 Ca 0.47 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jpa h ALA 679 Cb 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jpa h ALA 679 CO -0.24 0.79 -0.02 0.66 0.00 0.00 0.00 179.25 180.44 1jpa h SER 680 N 0.26 0.00 0.00 0.00 4.64 -0.50 -0.06 113.55 117.89 1jpa h SER 680 Ca -0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1jpa h SER 680 Cb 1.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1jpa h SER 680 CO 0.17 0.02 -0.56 0.40 -0.87 0.00 0.00 176.83 175.99 1jpa h ILE 681 N 0.00 0.12 -0.99 0.95 2.04 -0.95 -3.39 117.51 115.30 1jpa h ILE 681 Ca -0.00 -1.15 0.19 0.00 1.00 0.00 0.00 64.86 64.90 1jpa h ILE 681 Cb 0.36 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 1jpa h ILE 681 CO 0.00 0.04 0.61 -0.03 0.00 0.00 0.00 178.15 178.78 1jpa h MET 682 N -1.00 0.68 0.00 2.37 4.05 -0.88 -1.24 114.93 118.91 1jpa h MET 682 Ca -0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1jpa h MET 682 Cb 0.57 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1jpa h MET 682 CO -0.03 0.45 0.00 0.41 0.23 0.00 0.00 176.91 177.97 1jpa n GLY 683 N -1.38 -0.86 0.00 1.39 0.00 -0.04 -1.37 105.19 102.93 1jpa n GLY 683 Ca 0.22 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.01 0.00 -4.05 1.61 6.02 -0.47 -4.81 117.38 113.68 1jpa n GLN 684 Ca -0.00 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1jpa n GLN 684 Cb 0.07 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 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 -3.00 3.34 -0.39 1.08 2.99 -0.47 -5.00 117.98 116.52 1jpa s PHE 685 Ca 0.11 0.22 0.04 0.00 0.00 0.00 0.00 56.93 57.30 1jpa s PHE 685 Cb 0.17 -1.74 0.16 0.00 0.00 0.00 0.00 43.02 41.61 1jpa s PHE 685 CO 0.71 0.57 0.41 0.34 -0.00 0.00 0.00 175.22 177.24 1jpa s ASP 686 N -1.87 0.92 -0.08 1.36 3.68 -1.26 -4.89 116.67 114.54 1jpa s ASP 686 Ca 0.25 -1.82 -0.11 0.00 2.13 0.00 0.00 52.55 53.00 1jpa s ASP 686 Cb -0.12 0.56 0.03 0.00 -1.45 0.00 0.00 42.92 41.93 1jpa s ASP 686 CO 0.16 -0.22 0.29 -2.28 0.13 0.00 0.00 175.17 173.25 1jpa s HIS 687 N 1.16 -0.26 0.53 -5.34 2.46 -1.26 -5.04 115.29 107.54 1jpa s HIS 687 Ca 0.21 0.60 0.29 0.00 0.47 0.00 0.00 55.06 56.63 1jpa s HIS 687 Cb -0.11 0.09 1.44 0.00 -0.13 0.00 0.00 32.58 33.88 1jpa s HIS 687 CO -0.05 -0.22 1.91 -1.35 -2.47 0.00 0.00 174.74 172.56 1jpa h PRO 688 N 5.14 0.02 -0.55 2.88 0.11 -1.99 -1.91 132.00 135.70 1jpa h PRO 688 Ca -0.27 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 1jpa h PRO 688 Cb 1.19 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1jpa h PRO 688 CO 0.35 0.01 0.15 0.09 -0.21 0.00 0.00 178.00 178.39 1jpa n ASN 689 N -4.31 3.87 -4.01 -2.05 3.02 -1.26 -4.85 115.26 105.67 1jpa n ASN 689 Ca 0.17 -3.36 -0.25 0.00 -0.03 0.00 0.00 54.58 51.11 1jpa n ASN 689 Cb 0.87 -0.68 -0.17 0.00 -0.61 0.00 0.00 39.78 39.19 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 -3.06 1.10 0.12 2.41 1.01 -0.72 -0.23 120.40 121.03 1jpa s VAL 690 Ca 0.49 -0.45 -0.35 0.00 0.00 0.00 0.00 61.98 61.67 1jpa s VAL 690 Cb 0.41 -1.02 -0.16 0.00 0.00 0.00 0.00 36.38 35.62 1jpa s VAL 690 CO 0.08 0.35 1.34 -0.38 0.00 0.00 0.00 175.10 176.49 1jpa n ILE 691 N 3.90 0.20 -2.95 2.22 2.08 -0.70 -4.56 119.36 119.55 1jpa n ILE 691 Ca -0.22 -0.05 -0.40 0.00 0.56 0.00 0.00 62.75 62.63 1jpa n ILE 691 Cb 0.52 -0.93 -0.05 0.00 -0.75 0.00 0.00 39.64 38.42 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 0.39 3.70 -0.16 1.39 5.65 -1.26 -4.97 115.29 120.02 1jpa s HIS 692 Ca 0.81 1.47 -0.16 0.00 0.25 0.00 0.00 55.06 57.43 1jpa s HIS 692 Cb -0.89 -2.86 -0.04 0.00 -1.18 0.00 0.00 32.58 27.61 1jpa s HIS 692 CO 0.47 0.20 0.39 -1.17 -0.65 0.00 0.00 174.74 173.98 1jpa s LEU 693 N 0.26 4.22 -0.13 8.88 2.96 -1.26 -1.35 118.68 132.26 1jpa s LEU 693 Ca 0.40 0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 54.74 1jpa s LEU 693 Cb -0.20 -2.53 -0.25 0.00 0.50 0.00 0.00 46.19 43.71 1jpa s LEU 693 CO 0.23 0.00 0.50 -0.33 -1.32 0.00 0.00 176.35 175.43 1jpa h GLU 694 N 6.93 0.16 0.00 1.98 4.39 -1.13 -3.48 114.58 123.43 1jpa h GLU 694 Ca -0.39 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.03 1jpa h GLU 694 Cb 1.17 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1jpa h GLU 694 CO 0.74 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 180.14 1jpa n GLY 695 N 1.66 -1.22 3.20 -3.84 0.00 -1.00 -4.51 105.19 99.49 1jpa n GLY 695 Ca -0.25 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.00 0.68 -0.22 1.61 -7.23 0.30 -0.21 120.40 112.32 1jpa s VAL 696 Ca 0.00 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1jpa s VAL 696 Cb 0.00 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 35.12 1jpa s VAL 696 CO 0.00 -0.70 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.29 1jpa s VAL 697 N -3.65 1.87 0.00 1.32 1.01 0.55 0.14 120.40 121.65 1jpa s VAL 697 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1jpa s VAL 697 Cb 0.06 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1jpa s VAL 697 CO -0.01 0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.55 1jpa n THR 698 N 4.58 0.00 0.18 3.92 -2.24 -1.26 -0.56 114.28 118.90 1jpa n THR 698 Ca -0.15 -0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1jpa n THR 698 Cb 0.45 0.34 0.19 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.01 2.75 -3.77 -0.78 5.02 -1.26 -4.86 118.16 114.25 1jpa n LYS 699 Ca 0.00 -1.48 -0.09 0.00 -2.02 0.00 0.00 58.31 54.72 1jpa n LYS 699 Cb 0.00 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 33.16 1jpa n LYS 699 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1jpa s SER 700 N -0.43 -0.24 -0.10 4.39 0.01 -1.26 -5.07 113.70 111.00 1jpa s SER 700 Ca 0.26 -0.53 -0.00 0.00 1.31 0.00 0.00 55.95 56.98 1jpa s SER 700 Cb 0.19 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.98 1jpa s SER 700 CO 0.08 -1.07 -0.07 -0.89 0.41 0.00 0.00 173.24 171.70 1jpa s THR 701 N -3.89 3.61 0.42 1.44 2.01 -1.26 -3.43 115.64 114.55 1jpa s THR 701 Ca 0.10 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 1jpa s THR 701 Cb -0.01 -2.51 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 1jpa s THR 701 CO -0.01 0.56 0.80 -2.16 -0.69 0.00 0.00 174.62 173.12 1jpa s PRO 702 N -0.30 3.79 0.31 4.92 0.04 -1.26 -5.12 135.00 137.39 1jpa s PRO 702 Ca 0.04 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 1jpa s PRO 702 Cb -0.13 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.96 1jpa s PRO 702 CO 0.02 -0.08 1.41 0.08 0.04 0.00 0.00 177.00 178.48 1jpa s VAL 703 N -2.43 2.52 0.05 -0.36 1.01 -1.22 -4.87 120.40 115.10 1jpa s VAL 703 Ca 0.52 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1jpa s VAL 703 Cb -0.10 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1jpa s VAL 703 CO 0.32 0.10 -0.03 -0.04 0.00 0.00 0.00 175.10 175.45 1jpa s MET 704 N -1.23 0.59 -0.10 2.72 -1.94 0.27 -1.46 119.30 118.15 1jpa s MET 704 Ca 0.55 -1.17 0.02 0.00 -1.71 0.00 0.00 55.69 53.37 1jpa s MET 704 Cb -0.42 0.20 0.01 0.00 2.01 0.00 0.00 34.83 36.63 1jpa s MET 704 CO 0.51 -0.11 -0.15 0.42 -0.01 0.00 0.00 175.02 175.68 1jpa s ILE 705 N -3.74 1.45 -0.18 2.53 1.01 -0.58 -0.33 121.20 121.37 1jpa s ILE 705 Ca 0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1jpa s ILE 705 Cb 0.07 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 1jpa s ILE 705 CO -0.09 0.43 -0.07 -0.63 0.00 0.00 0.00 174.94 174.57 1jpa s ILE 706 N 0.94 3.31 0.31 2.92 -1.09 0.70 -1.06 121.20 127.24 1jpa s ILE 706 Ca -0.08 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 1jpa s ILE 706 Cb -0.15 -2.46 -0.06 0.00 -1.58 0.00 0.00 42.46 38.21 1jpa s ILE 706 CO -0.01 0.47 0.03 0.42 -1.23 0.00 0.00 174.94 174.63 1jpa s THR 707 N 0.94 1.28 0.53 2.92 -4.23 -0.12 -0.53 115.64 116.44 1jpa s THR 707 Ca -0.01 -2.02 -0.22 0.00 -1.18 0.00 0.00 61.69 58.26 1jpa s THR 707 Cb -0.15 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1jpa s THR 707 CO 0.00 -0.07 1.32 -1.83 -0.54 0.00 0.00 174.62 173.50 1jpa s GLU 708 N -3.86 3.23 0.09 3.99 -1.05 -0.46 -0.62 118.70 120.03 1jpa s GLU 708 Ca 0.35 2.15 -0.27 0.00 -0.15 0.00 0.00 54.97 57.05 1jpa s GLU 708 Cb 0.08 -2.27 -0.06 0.00 -0.44 0.00 0.00 34.13 31.44 1jpa s GLU 708 CO 0.15 -1.09 0.83 0.12 0.95 0.00 0.00 175.26 176.22 1jpa s PHE 709 N -1.35 3.79 -0.40 4.83 5.36 -1.25 -4.17 117.98 124.79 1jpa s PHE 709 Ca 0.71 1.61 0.04 0.00 -0.96 0.00 0.00 56.93 58.32 1jpa s PHE 709 Cb -0.38 -2.89 0.11 0.00 -0.34 0.00 0.00 43.02 39.52 1jpa s PHE 709 CO 0.45 0.29 0.12 -1.64 -1.46 0.00 0.00 175.22 172.99 1jpa s MET 710 N -0.23 1.61 0.30 10.12 -1.94 -1.26 -4.93 119.30 122.97 1jpa s MET 710 Ca 0.41 -2.10 0.06 0.00 -1.71 0.00 0.00 55.69 52.35 1jpa s MET 710 Cb -0.22 -3.19 0.74 0.00 2.01 0.00 0.00 34.83 34.17 1jpa s MET 710 CO 0.26 -1.00 1.78 0.93 -0.01 0.00 0.00 175.02 176.98 1jpa h GLU 711 N 7.25 0.75 -0.05 2.03 5.08 -1.87 -1.09 114.58 126.68 1jpa h GLU 711 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1jpa h GLU 711 Cb 0.98 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1jpa h GLU 711 CO 0.57 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 179.17 1jpa n ASN 712 N -4.75 0.78 0.00 1.42 3.02 0.17 -4.97 115.26 110.93 1jpa n ASN 712 Ca 0.23 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1jpa n ASN 712 Cb 0.57 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 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 1.00 1.54 3.73 7.41 0.00 -0.41 -4.53 105.19 113.93 1jpa n GLY 713 Ca 0.17 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 6.80 0.23 1.61 0.01 -1.26 0.13 113.70 117.21 1jpa s SER 714 Ca 0.00 2.46 -0.07 0.00 1.31 0.00 0.00 55.95 59.64 1jpa s SER 714 Cb 0.00 -2.60 0.28 0.00 0.21 0.00 0.00 66.02 63.90 1jpa s SER 714 CO 0.00 -0.63 1.84 0.25 0.41 0.00 0.00 173.24 175.12 1jpa h LEU 715 N 5.83 0.76 -0.02 2.44 5.85 -0.96 0.37 115.31 129.58 1jpa h LEU 715 Ca -0.44 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1jpa h LEU 715 Cb 1.21 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1jpa h LEU 715 CO 0.81 0.50 0.01 -2.24 -0.34 0.00 0.00 178.44 177.18 1jpa h ASP 716 N 0.90 0.02 -0.75 1.25 2.03 -1.82 -1.30 116.42 116.76 1jpa h ASP 716 Ca 0.34 -0.12 -0.04 0.00 -0.73 0.00 0.00 57.03 56.48 1jpa h ASP 716 Cb 0.13 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.59 1jpa h ASP 716 CO -0.16 0.14 0.31 0.28 -1.03 0.00 0.00 179.24 178.78 1jpa h SER 717 N -0.09 1.03 -0.54 4.15 0.02 -1.85 -1.99 113.55 114.27 1jpa h SER 717 Ca 0.01 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1jpa h SER 717 Cb 0.12 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1jpa h SER 717 CO -0.00 0.92 0.31 0.15 -1.14 0.00 0.00 176.83 177.06 1jpa h PHE 718 N 1.08 0.57 -0.32 3.45 3.57 -0.77 -1.53 116.94 122.99 1jpa h PHE 718 Ca 0.25 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 1jpa h PHE 718 Cb 0.20 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1jpa h PHE 718 CO 0.02 0.31 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.02 1jpa h LEU 719 N 0.60 0.72 -0.94 0.59 3.38 -1.01 -2.62 115.31 116.03 1jpa h LEU 719 Ca 0.23 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jpa h LEU 719 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1jpa h LEU 719 CO -0.12 0.98 -0.05 0.03 0.09 0.00 0.00 178.44 179.37 1jpa h ARG 720 N 0.59 0.72 0.00 1.13 3.08 -0.86 -1.78 114.38 117.25 1jpa h ARG 720 Ca 0.07 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1jpa h ARG 720 Cb 0.82 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1jpa h ARG 720 CO 0.07 0.77 0.00 1.04 -1.07 0.00 0.00 179.97 180.78 1jpa n GLN 721 N -4.20 0.48 -2.65 0.04 6.02 -0.62 -3.36 117.38 113.09 1jpa n GLN 721 Ca 0.02 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.95 1jpa n GLN 721 Cb 0.32 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.24 2.28 -4.67 1.08 3.02 -0.74 -5.08 115.26 109.91 1jpa n ASN 722 Ca 0.15 -2.55 -0.47 0.00 -0.03 0.00 0.00 54.58 51.68 1jpa n ASN 722 Cb 0.20 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.50 3.22 -0.65 6.41 2.03 -0.79 -1.35 116.55 124.93 1jpa n ASP 723 Ca 0.15 1.04 -0.08 0.00 0.52 0.00 0.00 54.79 56.42 1jpa n ASP 723 Cb 0.82 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.79 1jpa n ASP 723 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jpa n GLY 724 N 3.81 0.87 0.00 0.27 0.00 -1.26 -4.88 105.19 104.01 1jpa n GLY 724 Ca 0.19 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.97 0.01 -4.19 1.61 1.13 -0.45 -4.92 117.38 109.60 1jpa n GLN 725 Ca -0.08 -0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.74 1jpa n GLN 725 Cb 0.50 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.29 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 -2.99 2.93 0.69 1.08 0.40 -1.26 -5.12 117.98 113.71 1jpa s PHE 726 Ca 0.13 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.19 1jpa s PHE 726 Cb 0.18 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1jpa s PHE 726 CO 0.62 0.56 1.08 0.95 0.70 0.00 0.00 175.22 179.14 1jpa s THR 727 N -2.17 3.73 0.21 0.64 -4.23 -1.26 -4.91 115.64 107.65 1jpa s THR 727 Ca 0.32 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.31 1jpa s THR 727 Cb -0.07 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.37 1jpa s THR 727 CO 0.23 -0.73 1.78 0.58 -0.54 0.00 0.00 174.62 175.93 1jpa h VAL 728 N -0.59 1.26 -0.25 2.29 2.07 -1.99 -2.15 116.25 116.89 1jpa h VAL 728 Ca -0.45 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1jpa h VAL 728 Cb 1.24 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1jpa h VAL 728 CO 0.63 0.33 -0.04 0.40 0.02 0.00 0.00 177.57 178.91 1jpa h ILE 729 N 1.14 1.17 -0.25 4.57 1.08 -1.99 -0.02 117.51 123.22 1jpa h ILE 729 Ca 0.26 -0.71 -0.11 0.00 -0.39 0.00 0.00 64.86 63.91 1jpa h ILE 729 Cb 0.20 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1jpa h ILE 729 CO -0.02 0.24 -0.28 1.56 -0.69 0.00 0.00 178.15 178.96 1jpa h GLN 730 N 0.37 0.64 -0.64 2.37 4.20 -1.79 -1.27 115.11 118.98 1jpa h GLN 730 Ca 0.08 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 1jpa h GLN 730 Cb 0.31 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1jpa h GLN 730 CO 0.01 0.95 0.13 -0.07 -0.67 0.00 0.00 178.83 179.18 1jpa h LEU 731 N 0.35 0.99 -1.16 1.46 3.38 -1.08 -1.56 115.31 117.69 1jpa h LEU 731 Ca 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1jpa h LEU 731 Cb 0.84 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1jpa h LEU 731 CO 0.07 0.98 0.16 0.58 0.09 0.00 0.00 178.44 180.32 1jpa h VAL 732 N 0.96 1.20 -0.29 1.22 2.07 -0.96 -1.68 116.25 118.77 1jpa h VAL 732 Ca 0.20 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1jpa h VAL 732 Cb 0.39 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1jpa h VAL 732 CO 0.01 0.26 -0.01 1.23 0.02 0.00 0.00 177.57 179.07 1jpa h GLY 733 N 0.90 0.47 0.95 2.17 0.00 -0.42 0.30 103.07 107.44 1jpa h GLY 733 Ca 0.17 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1jpa h GLY 733 CO -0.01 0.25 -0.37 -0.33 0.00 0.00 0.00 176.54 176.08 1jpa h MET 734 N 0.42 0.65 -0.15 4.80 2.07 -0.49 -2.16 114.93 120.07 1jpa h MET 734 Ca 0.09 -0.40 -0.08 0.00 -2.07 0.00 0.00 59.70 57.24 1jpa h MET 734 Cb 0.30 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1jpa h MET 734 CO 0.01 1.01 -0.27 -0.07 1.07 0.00 0.00 176.91 178.66 1jpa h LEU 735 N 0.36 0.29 -0.13 1.22 3.38 -0.86 -1.92 115.31 117.64 1jpa h LEU 735 Ca 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jpa h LEU 735 Cb 0.96 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1jpa h LEU 735 CO 0.08 0.56 0.01 -0.09 0.09 0.00 0.00 178.44 179.09 1jpa h ARG 736 N 0.26 0.22 -0.86 1.13 9.65 -0.88 -1.34 114.38 122.56 1jpa h ARG 736 Ca 0.04 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1jpa h ARG 736 Cb 0.62 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.13 1jpa h ARG 736 CO 0.04 0.45 0.57 0.78 2.80 0.00 0.00 179.97 184.61 1jpa h GLY 737 N -0.03 1.22 0.94 2.80 0.00 -1.16 -0.21 103.07 106.63 1jpa h GLY 737 Ca 0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1jpa h GLY 737 CO 0.01 0.43 0.03 -2.22 0.00 0.00 0.00 176.54 174.78 1jpa h ILE 738 N 1.15 1.25 -0.42 2.60 2.04 -1.23 -1.10 117.51 121.80 1jpa h ILE 738 Ca 0.32 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1jpa h ILE 738 Cb -0.11 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1jpa h ILE 738 CO -0.08 0.32 0.02 0.00 0.00 0.00 0.00 178.15 178.41 1jpa h ALA 739 N 0.90 1.25 -0.29 1.87 0.00 -0.91 -0.37 119.26 121.70 1jpa h ALA 739 Ca 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jpa h ALA 739 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jpa h ALA 739 CO 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1jpa h ALA 740 N 1.39 0.40 -0.89 0.00 0.00 -0.81 0.27 119.26 119.62 1jpa h ALA 740 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jpa h ALA 740 Cb 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1jpa h ALA 740 CO 0.01 0.17 0.49 0.78 0.00 0.00 0.00 179.25 180.70 1jpa h GLY 741 N 0.32 1.33 1.57 0.00 0.00 -0.77 -1.97 103.07 103.55 1jpa h GLY 741 Ca 0.08 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 1jpa h GLY 741 CO 0.02 0.58 -0.58 -0.33 0.00 0.00 0.00 176.54 176.23 1jpa h MET 742 N 1.25 0.45 -0.47 4.80 2.86 -0.81 -1.99 114.93 121.02 1jpa h MET 742 Ca 0.31 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1jpa h MET 742 Cb 0.03 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1jpa h MET 742 CO -0.05 0.90 0.26 -0.22 1.06 0.00 0.00 176.91 178.87 1jpa h LYS 743 N 0.34 0.66 -0.29 1.72 3.11 -0.23 0.11 116.57 121.98 1jpa h LYS 743 Ca -0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1jpa h LYS 743 Cb 1.11 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.20 1jpa h LYS 743 CO 0.10 0.51 0.19 -0.92 -2.81 0.00 0.00 179.45 176.52 1jpa h TYR 744 N 0.63 0.38 -0.36 1.91 3.20 -1.18 0.87 116.97 122.41 1jpa h TYR 744 Ca 0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1jpa h TYR 744 Cb 0.04 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1jpa h TYR 744 CO -0.02 0.26 0.17 -0.07 -1.64 0.00 0.00 178.16 176.86 1jpa h LEU 745 N 0.39 0.48 -0.89 2.82 3.38 -1.04 -1.83 115.31 118.62 1jpa h LEU 745 Ca 0.11 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1jpa h LEU 745 Cb -0.02 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1jpa h LEU 745 CO -0.02 0.47 0.58 0.00 0.09 0.00 0.00 178.44 179.55 1jpa h ALA 746 N 1.03 1.16 -0.03 1.53 0.00 -0.54 0.48 119.26 122.88 1jpa h ALA 746 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jpa h ALA 746 Cb 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jpa h ALA 746 CO -0.02 0.44 -0.09 -0.44 0.00 0.00 0.00 179.25 179.15 1jpa h ASP 747 N 1.13 0.04 0.14 0.00 3.32 -0.40 0.15 116.42 120.79 1jpa h ASP 747 Ca 0.35 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1jpa h ASP 747 Cb -0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1jpa h ASP 747 CO -0.11 0.14 -0.03 0.23 -1.72 0.00 0.00 179.24 177.75 1jpa n MET 748 N -4.41 1.00 -2.69 3.56 2.81 -0.35 -4.90 117.12 112.13 1jpa n MET 748 Ca -0.02 -0.24 -0.13 0.00 -1.81 0.00 0.00 57.70 55.50 1jpa n MET 748 Cb 0.18 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.79 -4.14 -4.39 7.83 5.15 0.04 -0.67 115.26 118.30 1jpa n ASN 749 Ca 0.20 -0.16 -0.36 0.00 -0.60 0.00 0.00 54.58 53.65 1jpa n ASN 749 Cb 0.21 -3.02 -0.13 0.00 -0.53 0.00 0.00 39.78 36.31 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 -2.90 3.04 -0.29 1.20 5.04 0.02 -4.82 117.35 118.64 1jpa s TYR 750 Ca 0.17 -0.66 -0.14 0.00 -2.44 0.00 0.00 57.07 54.01 1jpa s TYR 750 Cb -0.08 -2.19 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1jpa s TYR 750 CO 0.22 -0.45 0.32 0.08 -1.34 0.00 0.00 175.55 174.38 1jpa s VAL 751 N 1.56 5.21 0.05 3.14 1.01 -1.26 -3.85 120.40 126.25 1jpa s VAL 751 Ca 0.06 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1jpa s VAL 751 Cb -0.15 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.41 1jpa s VAL 751 CO 0.01 0.12 1.44 -0.74 0.00 0.00 0.00 175.10 175.93 1jpa h HIS 752 N 8.30 0.28 0.00 5.22 2.76 -1.96 -3.47 115.15 126.27 1jpa h HIS 752 Ca -0.32 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1jpa h HIS 752 Cb 1.17 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1jpa h HIS 752 CO 0.74 0.53 0.00 0.54 -1.30 0.00 0.00 177.93 178.44 1jpa n ARG 753 N -4.73 0.00 -2.67 5.26 1.74 -1.26 -4.75 116.66 110.25 1jpa n ARG 753 Ca -0.06 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 1jpa n ARG 753 Cb 0.24 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.98 -4.67 0.55 2.03 -1.26 -4.98 116.55 110.21 1jpa n ASP 754 Ca 0.00 -2.59 -0.43 0.00 0.52 0.00 0.00 54.79 52.29 1jpa n ASP 754 Cb 0.00 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 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 -3.45 4.24 -0.10 -2.67 2.96 -1.26 -4.81 118.68 113.59 1jpa s LEU 755 Ca 0.30 1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 55.78 1jpa s LEU 755 Cb 0.40 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.65 1jpa s LEU 755 CO -0.01 -0.74 0.87 0.00 -1.32 0.00 0.00 176.35 175.15 1jpa s ALA 756 N 3.14 -1.86 0.47 5.97 0.00 -1.26 -4.67 121.76 123.55 1jpa s ALA 756 Ca 0.59 1.41 0.21 0.00 0.00 0.00 0.00 51.96 54.17 1jpa s ALA 756 Cb -0.26 -0.32 1.21 0.00 0.00 0.00 0.00 23.12 23.75 1jpa s ALA 756 CO 0.20 -0.38 1.92 0.00 0.00 0.00 0.00 175.76 177.50 1jpa h ALA 757 N 2.62 2.34 0.00 0.00 0.00 -1.93 0.55 119.26 122.85 1jpa h ALA 757 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jpa h ALA 757 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jpa h ALA 757 CO 0.34 -0.56 0.00 0.07 0.00 0.00 0.00 179.25 179.09 1jpa h ARG 758 N 0.25 0.00 -0.52 0.00 0.11 -1.94 -1.62 114.38 110.66 1jpa h ARG 758 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 1jpa h ARG 758 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1jpa h ARG 758 CO -0.09 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.07 1jpa n ASN 759 N -2.58 4.06 -4.42 0.08 3.02 0.19 -4.77 115.26 110.83 1jpa n ASN 759 Ca 0.00 -2.36 -0.33 0.00 -0.03 0.00 0.00 54.58 51.86 1jpa n ASN 759 Cb 0.18 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.66 3.18 0.11 2.41 -1.09 -0.62 -1.29 121.20 122.25 1jpa s ILE 760 Ca 0.42 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1jpa s ILE 760 Cb 0.27 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 1jpa s ILE 760 CO 0.21 0.54 0.15 -0.76 -1.23 0.00 0.00 174.94 173.85 1jpa s LEU 761 N -0.00 3.97 -0.08 2.97 1.43 0.02 -0.89 118.68 126.11 1jpa s LEU 761 Ca -0.03 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1jpa s LEU 761 Cb -0.14 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1jpa s LEU 761 CO 0.04 0.12 -0.19 -0.69 0.23 0.00 0.00 176.35 175.86 1jpa s VAL 762 N -1.58 1.64 0.66 -1.59 1.01 0.12 -0.58 120.40 120.09 1jpa s VAL 762 Ca 0.32 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1jpa s VAL 762 Cb -0.11 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 34.94 1jpa s VAL 762 CO 0.24 0.47 0.92 0.54 0.00 0.00 0.00 175.10 177.27 1jpa s ASN 763 N 0.37 4.63 0.61 3.32 2.20 -0.65 -0.66 114.94 124.76 1jpa s ASN 763 Ca -0.14 -0.56 0.35 0.00 -0.94 0.00 0.00 52.86 51.57 1jpa s ASN 763 Cb -0.16 0.12 1.97 0.00 -2.00 0.00 0.00 41.25 41.18 1jpa s ASN 763 CO 0.06 -1.67 2.26 0.77 -2.94 0.00 0.00 177.10 175.58 1jpa h SER 764 N -0.25 0.00 -0.50 3.54 4.64 -1.92 -0.34 113.55 118.71 1jpa h SER 764 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1jpa h SER 764 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jpa h SER 764 CO 0.40 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.97 1jpa n ASN 765 N -3.51 3.63 -0.08 4.97 3.02 -1.26 -4.90 115.26 117.13 1jpa n ASN 765 Ca -0.03 -2.30 -0.01 0.00 -0.03 0.00 0.00 54.58 52.22 1jpa n ASN 765 Cb 0.11 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1jpa n ASN 765 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jpa n LEU 766 N 0.84 0.34 -4.71 3.41 4.77 -0.14 -4.98 117.00 116.54 1jpa n LEU 766 Ca 0.19 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 1jpa n LEU 766 Cb 0.68 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1jpa n LEU 766 CO 0.18 -0.48 1.02 -0.69 -1.33 0.00 0.00 177.39 176.10 1jpa s VAL 767 N -1.62 3.64 -0.15 4.08 1.01 -1.26 -4.76 120.40 121.34 1jpa s VAL 767 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 1jpa s VAL 767 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1jpa s VAL 767 CO 0.00 0.06 0.19 0.00 0.00 0.00 0.00 175.10 175.36 1jpa s LYS 769 N -0.10 1.33 0.23 0.00 1.02 0.26 -4.36 119.74 118.12 1jpa s LYS 769 Ca 0.13 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 1jpa s LYS 769 Cb -0.12 -1.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.91 1jpa s LYS 769 CO 0.02 0.15 1.29 0.08 -0.92 0.00 0.00 175.35 175.97 1jpa s VAL 770 N 0.19 3.13 0.00 3.17 1.01 0.68 -0.80 120.40 127.79 1jpa s VAL 770 Ca -0.05 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1jpa s VAL 770 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1jpa s VAL 770 CO 0.01 0.17 0.00 -0.24 0.00 0.00 0.00 175.10 175.04 1jpa n SER 771 N 2.15 0.52 -2.50 3.32 2.88 -0.41 -1.73 113.62 117.85 1jpa n SER 771 Ca 0.04 -0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.17 1jpa n SER 771 Cb 0.43 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1jpa n SER 771 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1jpa n ASP 772 N -0.80 -4.17 -3.63 -3.46 4.64 -1.26 -4.87 116.55 103.00 1jpa n ASP 772 Ca 0.00 -0.40 -0.41 0.00 -1.38 0.00 0.00 54.79 52.60 1jpa n ASP 772 Cb 0.00 -3.24 0.01 0.00 -1.04 0.00 0.00 41.12 36.85 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 -2.57 2.66 0.00 -0.67 3.01 -1.26 -4.96 117.46 113.67 1jpa n PHE 773 Ca -0.07 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.72 1jpa n PHE 773 Cb 0.58 -1.49 0.00 0.00 -0.01 0.00 0.00 39.48 38.56 1jpa n PHE 773 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1jpa n PRO 797 N 0.98 0.00 -0.18 -1.08 -0.04 -1.26 -4.29 135.00 129.13 1jpa n PRO 797 Ca 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.95 1jpa n PRO 797 Cb 0.27 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.79 1jpa n PRO 797 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jpa h ILE 798 N 0.00 0.47 0.00 0.52 2.04 -2.00 0.18 117.51 118.71 1jpa h ILE 798 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1jpa h ILE 798 Cb 0.00 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1jpa h ILE 798 CO 0.00 0.01 0.00 -2.11 0.00 0.00 0.00 178.15 176.05 1jpa n ARG 799 N -5.36 0.61 -0.00 2.37 1.85 -1.26 -1.73 116.66 113.14 1jpa n ARG 799 Ca 0.06 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.95 1jpa n ARG 799 Cb 0.30 -1.31 -0.04 0.00 -1.05 0.00 0.00 32.46 30.36 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 -0.81 0.00 -3.94 2.89 8.01 0.55 -4.98 117.44 119.17 1jpa n TRP 800 Ca 0.09 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.93 1jpa n TRP 800 Cb 0.04 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.28 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 -1.69 5.32 0.60 -0.99 2.01 -0.71 -3.72 115.64 116.46 1jpa s THR 801 Ca 0.03 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1jpa s THR 801 Cb 0.05 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1jpa s THR 801 CO 0.30 0.44 1.18 0.00 -0.69 0.00 0.00 174.62 175.85 1jpa s ALA 802 N -1.18 2.53 0.16 7.40 0.00 -1.26 -4.87 121.76 124.53 1jpa s ALA 802 Ca 0.22 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 1jpa s ALA 802 Cb -0.12 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.65 1jpa s ALA 802 CO 0.12 -1.15 1.73 -1.35 0.00 0.00 0.00 175.76 175.11 1jpa h PRO 803 N 0.76 0.21 -0.23 0.00 0.11 -1.95 -1.79 132.00 129.11 1jpa h PRO 803 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1jpa h PRO 803 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1jpa h PRO 803 CO 0.55 0.14 0.04 1.05 -0.21 0.00 0.00 178.00 179.56 1jpa h GLU 804 N 0.21 0.33 -0.09 1.05 9.09 -1.91 -0.35 114.58 122.92 1jpa h GLU 804 Ca 0.17 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.41 1jpa h GLU 804 Cb 0.19 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.21 1jpa h GLU 804 CO -0.21 0.32 -0.51 0.00 0.05 0.00 0.00 179.01 178.66 1jpa h ALA 805 N 1.72 0.98 0.20 1.06 0.00 -1.52 -0.22 119.26 121.48 1jpa h ALA 805 Ca 0.08 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 1jpa h ALA 805 Cb 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jpa h ALA 805 CO -0.00 0.66 -1.38 0.82 0.00 0.00 0.00 179.25 179.35 1jpa h ILE 806 N 0.18 1.29 0.10 0.00 2.04 -0.50 -2.28 117.51 118.34 1jpa h ILE 806 Ca 0.01 -2.62 -0.00 0.00 1.00 0.00 0.00 64.86 63.24 1jpa h ILE 806 Cb 0.97 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1jpa h ILE 806 CO 0.08 0.79 -0.05 -0.61 0.00 0.00 0.00 178.15 178.36 1jpa h GLN 807 N 0.20 -0.13 -0.60 2.37 4.15 -1.06 -3.37 115.11 116.67 1jpa h GLN 807 Ca -0.22 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1jpa h GLN 807 Cb 2.06 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.78 1jpa h GLN 807 CO 0.26 0.19 0.00 0.66 -1.93 0.00 0.00 178.83 178.01 1jpa n TYR 808 N -4.83 1.07 -2.77 3.99 4.02 -0.10 -4.95 117.16 113.59 1jpa n TYR 808 Ca -0.05 -0.57 -0.15 0.00 -0.01 0.00 0.00 57.90 57.12 1jpa n TYR 808 Cb 0.18 -0.12 -0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 1.09 -2.75 -2.93 -0.72 1.74 -0.86 -4.89 116.66 107.35 1jpa n ARG 809 Ca 0.22 0.53 -0.44 0.00 -0.77 0.00 0.00 57.85 57.39 1jpa n ARG 809 Cb 0.71 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.95 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 -5.37 3.38 -0.22 5.56 1.02 -1.21 -4.95 119.74 117.95 1jpa s LYS 810 Ca 0.14 -1.42 -0.16 0.00 0.02 0.00 0.00 55.97 54.56 1jpa s LYS 810 Cb -0.07 -4.62 -0.04 0.00 -0.52 0.00 0.00 37.83 32.58 1jpa s LYS 810 CO 0.17 -1.76 0.39 -0.06 -0.92 0.00 0.00 175.35 173.17 1jpa s PHE 811 N 3.11 3.35 0.31 3.18 0.40 -1.26 -3.98 117.98 123.08 1jpa s PHE 811 Ca 0.27 0.57 0.04 0.00 -0.60 0.00 0.00 56.93 57.20 1jpa s PHE 811 Cb -0.11 -2.53 -0.03 0.00 0.51 0.00 0.00 43.02 40.86 1jpa s PHE 811 CO -0.01 -0.06 0.30 0.95 0.70 0.00 0.00 175.22 177.10 1jpa s THR 812 N 1.47 0.00 0.39 0.64 -4.23 -1.26 -4.98 115.64 107.66 1jpa s THR 812 Ca 0.18 -1.91 0.19 0.00 -1.18 0.00 0.00 61.69 58.97 1jpa s THR 812 Cb -0.15 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.37 1jpa s THR 812 CO 0.08 0.00 1.95 0.28 -0.54 0.00 0.00 174.62 176.39 1jpa h SER 813 N 2.21 0.00 0.55 3.99 0.02 -1.97 -0.17 113.55 118.18 1jpa h SER 813 Ca -0.27 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1jpa h SER 813 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1jpa h SER 813 CO 0.39 0.23 -0.44 0.00 -1.14 0.00 0.00 176.83 175.87 1jpa h ALA 814 N 1.77 1.16 -0.25 3.77 0.00 -1.94 -0.61 119.26 123.16 1jpa h ALA 814 Ca -0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1jpa h ALA 814 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jpa h ALA 814 CO 0.03 0.55 -0.60 1.03 0.00 0.00 0.00 179.25 180.27 1jpa h SER 815 N 0.00 0.94 0.37 0.00 0.87 -1.41 -2.84 113.55 111.49 1jpa h SER 815 Ca -0.00 -0.53 -0.04 0.00 -1.23 0.00 0.00 61.79 59.98 1jpa h SER 815 Cb 0.84 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1jpa h SER 815 CO 0.06 1.33 -0.20 0.44 -0.53 0.00 0.00 176.83 177.93 1jpa h ASP 816 N 0.63 0.00 -0.02 6.23 3.32 -0.47 -2.43 116.42 123.67 1jpa h ASP 816 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1jpa h ASP 816 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1jpa h ASP 816 CO 0.13 0.20 -0.41 0.58 -1.72 0.00 0.00 179.24 178.01 1jpa h VAL 817 N 0.00 1.30 -0.54 -1.35 2.07 -0.90 0.21 116.25 117.04 1jpa h VAL 817 Ca -0.00 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 1jpa h VAL 817 Cb 0.44 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1jpa h VAL 817 CO 0.03 0.50 0.18 -0.25 0.02 0.00 0.00 177.57 178.04 1jpa h TRP 818 N 0.45 0.86 -0.55 1.57 2.91 -1.29 -1.41 115.95 118.48 1jpa h TRP 818 Ca 0.04 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 1jpa h TRP 818 Cb 0.91 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 29.29 1jpa h TRP 818 CO 0.04 0.73 0.30 0.77 -1.03 0.00 0.00 178.44 179.24 1jpa h SER 819 N 0.74 0.69 -0.69 2.65 0.02 -1.26 -1.54 113.55 114.16 1jpa h SER 819 Ca 0.18 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1jpa h SER 819 Cb 0.26 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1jpa h SER 819 CO -0.01 0.59 0.46 0.22 -1.14 0.00 0.00 176.83 176.95 1jpa h TYR 820 N 0.74 0.72 -0.61 3.45 3.20 -0.14 -0.42 116.97 123.90 1jpa h TYR 820 Ca 0.19 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1jpa h TYR 820 Cb 0.05 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1jpa h TYR 820 CO -0.01 0.38 0.17 0.78 -1.64 0.00 0.00 178.16 177.84 1jpa h GLY 821 N 0.71 1.03 1.12 1.82 0.00 -0.26 -0.46 103.07 107.02 1jpa h GLY 821 Ca 0.30 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1jpa h GLY 821 CO -0.10 0.59 0.43 -2.22 0.00 0.00 0.00 176.54 175.24 1jpa h ILE 822 N 0.87 1.24 -0.84 2.60 1.08 -0.65 -1.97 117.51 119.84 1jpa h ILE 822 Ca 0.19 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 64.01 1jpa h ILE 822 Cb 0.32 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 1jpa h ILE 822 CO -0.00 0.28 0.45 0.58 -0.69 0.00 0.00 178.15 178.77 1jpa h VAL 823 N 1.15 1.25 -0.91 1.67 2.07 -0.40 -0.11 116.25 120.96 1jpa h VAL 823 Ca 0.29 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1jpa h VAL 823 Cb 0.06 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 1jpa h VAL 823 CO -0.04 0.28 0.61 0.24 0.02 0.00 0.00 177.57 178.67 1jpa h MET 824 N 1.18 1.18 -0.15 1.57 2.86 -0.45 0.27 114.93 121.39 1jpa h MET 824 Ca 0.30 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1jpa h MET 824 Cb 0.04 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1jpa h MET 824 CO -0.05 0.78 -0.05 2.35 1.06 0.00 0.00 176.91 181.01 1jpa h TRP 825 N 1.21 0.34 -0.64 -0.22 7.01 -0.48 -1.31 115.95 121.87 1jpa h TRP 825 Ca 0.34 -0.08 0.08 0.00 2.11 0.00 0.00 58.89 61.35 1jpa h TRP 825 Cb -0.10 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 26.82 1jpa h TRP 825 CO -0.00 0.60 0.30 0.93 -2.79 0.00 0.00 178.44 177.48 1jpa h GLU 826 N -0.01 0.53 -0.37 2.65 5.08 -0.49 0.98 114.58 122.96 1jpa h GLU 826 Ca 0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1jpa h GLU 826 Cb 0.49 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1jpa h GLU 826 CO 0.02 0.35 0.08 0.28 -1.00 0.00 0.00 179.01 178.74 1jpa h VAL 827 N 0.54 1.23 0.00 3.13 2.07 -0.87 0.46 116.25 122.81 1jpa h VAL 827 Ca 0.31 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jpa h VAL 827 Cb 0.31 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1jpa h VAL 827 CO -0.25 0.27 0.00 0.24 0.02 0.00 0.00 177.57 177.85 1jpa h MET 828 N 0.45 0.00 -0.18 1.57 2.86 -0.79 -2.72 114.93 116.11 1jpa h MET 828 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1jpa h MET 828 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1jpa h MET 828 CO 0.00 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.40 1jpa n SER 829 N -2.91 2.45 -3.67 1.22 7.64 0.30 -4.69 113.62 113.97 1jpa n SER 829 Ca 0.03 -1.82 -0.21 0.00 1.01 0.00 0.00 58.87 57.88 1jpa n SER 829 Cb 0.41 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.86 -2.01 -0.76 1.43 4.02 -0.50 -3.24 117.16 116.96 1jpa n TYR 830 Ca 0.17 0.87 0.00 0.00 -0.01 0.00 0.00 57.90 58.93 1jpa n TYR 830 Cb 0.47 -4.50 0.00 0.00 -0.02 0.00 0.00 39.34 35.29 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 -1.52 0.57 3.75 2.72 0.00 0.15 -3.39 105.19 107.47 1jpa n GLY 831 Ca -0.27 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.86 2.37 -0.07 1.61 2.56 -1.20 -4.90 118.70 118.22 1jpa s GLU 832 Ca 0.00 1.48 -0.29 0.00 0.00 0.00 0.00 54.97 56.17 1jpa s GLU 832 Cb 0.00 -1.89 -0.02 0.00 2.00 0.00 0.00 34.13 34.22 1jpa s GLU 832 CO 0.00 -1.60 0.95 0.50 -0.56 0.00 0.00 175.26 174.55 1jpa s ARG 833 N -4.20 4.46 0.13 4.30 3.52 -1.26 -4.73 118.95 121.17 1jpa s ARG 833 Ca 0.68 1.31 -0.33 0.00 -0.13 0.00 0.00 55.73 57.26 1jpa s ARG 833 Cb -0.23 -3.51 -0.13 0.00 -1.56 0.00 0.00 34.95 29.53 1jpa s ARG 833 CO 0.46 -0.18 1.69 -2.30 -0.81 0.00 0.00 175.30 174.16 1jpa n PRO 834 N 4.50 2.36 -1.17 5.12 -0.02 -1.26 -0.74 135.00 143.79 1jpa n PRO 834 Ca 0.06 0.85 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1jpa n PRO 834 Cb 0.50 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 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 4.34 0.00 0.00 6.00 4.01 -1.26 -4.85 117.16 125.39 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 0.31 -1.62 0.00 0.00 -0.31 0.00 0.00 39.34 37.72 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 -2.57 0.00 1.94 -0.72 8.01 0.08 -1.04 117.44 123.13 1jpa n TRP 836 Ca -0.06 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.23 1jpa n TRP 836 Cb 0.32 0.00 0.59 0.00 -2.01 0.00 0.00 31.31 30.21 1jpa n TRP 836 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1jpa n ASP 837 N 3.03 0.00 -4.72 -0.99 8.00 -1.26 -4.90 116.55 115.71 1jpa n ASP 837 Ca 0.00 -1.31 -0.39 0.00 0.71 0.00 0.00 54.79 53.80 1jpa n ASP 837 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1jpa n ASP 837 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1jpa n MET 838 N -0.82 1.60 -2.28 -1.24 2.81 -0.21 -5.00 117.12 111.99 1jpa n MET 838 Ca 0.15 0.59 -0.28 0.00 -1.81 0.00 0.00 57.70 56.35 1jpa n MET 838 Cb 0.07 -2.49 0.03 0.00 -0.71 0.00 0.00 33.22 30.11 1jpa n MET 838 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jpa s THR 839 N -1.31 3.92 0.17 2.03 -4.23 -1.26 -4.88 115.64 110.09 1jpa s THR 839 Ca 0.71 0.22 -0.14 0.00 -1.18 0.00 0.00 61.69 61.30 1jpa s THR 839 Cb -0.43 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 69.91 1jpa s THR 839 CO 0.50 -0.63 1.77 0.78 -0.54 0.00 0.00 174.62 176.50 1jpa h ASN 840 N -0.23 0.29 -0.92 3.99 2.35 -1.99 -0.31 115.58 118.76 1jpa h ASN 840 Ca -0.45 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1jpa h ASN 840 Cb 1.24 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.55 1jpa h ASN 840 CO 0.62 0.20 0.56 -0.61 -1.65 0.00 0.00 177.43 176.56 1jpa h GLN 841 N 0.42 1.24 -0.56 0.81 5.75 -1.99 0.35 115.11 121.14 1jpa h GLN 841 Ca 0.21 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1jpa h GLN 841 Cb 0.14 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1jpa h GLN 841 CO -0.16 0.86 0.26 -0.44 -2.65 0.00 0.00 178.83 176.70 1jpa h ASP 842 N 1.26 0.74 -0.12 -0.69 3.32 -1.74 0.66 116.42 119.85 1jpa h ASP 842 Ca 0.33 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1jpa h ASP 842 Cb -0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1jpa h ASP 842 CO -0.06 0.67 0.06 0.58 -1.72 0.00 0.00 179.24 178.76 1jpa h VAL 843 N 0.76 1.00 -0.13 -1.35 2.07 -0.34 0.59 116.25 118.85 1jpa h VAL 843 Ca 0.19 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1jpa h VAL 843 Cb 0.13 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1jpa h VAL 843 CO -0.02 0.02 -0.05 0.40 0.02 0.00 0.00 177.57 177.94 1jpa h ILE 844 N 0.14 0.82 -0.63 4.57 2.04 -0.65 0.44 117.51 124.24 1jpa h ILE 844 Ca 0.05 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1jpa h ILE 844 Cb 0.01 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1jpa h ILE 844 CO -0.03 0.00 0.21 0.78 0.00 0.00 0.00 178.15 179.11 1jpa h ASN 845 N -0.03 0.90 -0.01 1.72 2.35 -0.59 -1.15 115.58 118.77 1jpa h ASN 845 Ca 0.07 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1jpa h ASN 845 Cb 0.14 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1jpa h ASN 845 CO -0.15 0.85 -0.12 0.00 -1.65 0.00 0.00 177.43 176.36 1jpa h ALA 846 N 1.08 -0.13 -0.88 -0.83 0.00 0.69 -0.02 119.26 119.17 1jpa h ALA 846 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jpa h ALA 846 Cb 0.26 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1jpa h ALA 846 CO -0.01 -0.61 0.57 0.82 0.00 0.00 0.00 179.25 180.03 1jpa h ILE 847 N -0.20 1.17 -0.81 0.00 1.08 -0.74 0.65 117.51 118.67 1jpa h ILE 847 Ca 0.05 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1jpa h ILE 847 Cb 0.25 -0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 1jpa h ILE 847 CO -0.12 0.21 0.53 -0.33 -0.69 0.00 0.00 178.15 177.75 1jpa h GLU 848 N 1.14 1.02 -0.87 2.37 5.08 -0.53 0.31 114.58 123.10 1jpa h GLU 848 Ca 0.34 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1jpa h GLU 848 Cb -0.05 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1jpa h GLU 848 CO -0.10 0.68 0.00 1.04 -1.00 0.00 0.00 179.01 179.63 1jpa n GLN 849 N -4.43 1.20 -2.31 2.33 1.13 -0.08 -4.83 117.38 110.39 1jpa n GLN 849 Ca 0.10 -0.17 -0.17 0.00 -1.94 0.00 0.00 57.00 54.81 1jpa n GLN 849 Cb 0.06 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 28.92 1jpa n GLN 849 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1jpa n ASP 850 N -0.01 -5.11 -4.79 1.08 8.00 0.10 -4.99 116.55 110.83 1jpa n ASP 850 Ca 0.01 -0.01 -0.39 0.00 0.71 0.00 0.00 54.79 55.12 1jpa n ASP 850 Cb 0.27 -4.19 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 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 -2.86 3.88 -0.00 1.24 5.04 0.12 -4.99 117.35 119.78 1jpa s TYR 851 Ca 0.00 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.17 1jpa s TYR 851 Cb 0.00 -2.69 -0.00 0.00 0.35 0.00 0.00 41.96 39.62 1jpa s TYR 851 CO 0.00 0.53 -0.05 1.03 -1.34 0.00 0.00 175.55 175.73 1jpa s ARG 852 N -1.12 0.37 0.24 4.97 1.81 -1.26 -4.21 118.95 119.75 1jpa s ARG 852 Ca 0.34 -0.18 -0.31 0.00 -1.72 0.00 0.00 55.73 53.86 1jpa s ARG 852 Cb -0.22 -0.35 -0.14 0.00 -0.45 0.00 0.00 34.95 33.79 1jpa s ARG 852 CO 0.24 0.10 1.30 1.28 -0.68 0.00 0.00 175.30 177.54 1jpa n LEU 853 N 2.92 2.65 -4.77 2.53 4.77 -1.26 -4.97 117.00 118.88 1jpa n LEU 853 Ca -0.13 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.71 1jpa n LEU 853 Cb 0.58 -1.37 0.12 0.00 -2.33 0.00 0.00 43.42 40.42 1jpa n LEU 853 CO 0.25 -0.77 0.70 -2.16 -1.33 0.00 0.00 177.39 174.08 1jpa s PRO 854 N -0.66 1.62 0.14 3.23 0.04 -1.26 -4.98 135.00 133.12 1jpa s PRO 854 Ca 0.67 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 1jpa s PRO 854 Cb -0.69 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 1jpa s PRO 854 CO 0.53 -1.94 1.34 -1.25 0.04 0.00 0.00 177.00 175.71 1jpa s PRO 855 N -5.10 4.36 0.84 0.56 0.04 -1.26 -4.99 135.00 129.45 1jpa s PRO 855 Ca 0.62 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.57 1jpa s PRO 855 Cb -0.16 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.23 1jpa s PRO 855 CO 0.55 -0.35 1.08 -2.30 0.04 0.00 0.00 177.00 176.02 1jpa n PRO 856 N 3.48 -0.01 -1.66 0.56 -0.02 -1.26 -4.84 135.00 131.25 1jpa n PRO 856 Ca 0.09 0.07 -0.46 0.00 -2.02 0.00 0.00 63.50 61.18 1jpa n PRO 856 Cb 0.43 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 1jpa n PRO 856 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1jpa n MET 857 N -3.21 2.07 -1.44 -0.52 1.56 -1.26 -0.90 117.12 113.41 1jpa n MET 857 Ca 0.12 0.74 -0.15 0.00 -0.27 0.00 0.00 57.70 58.14 1jpa n MET 857 Cb 0.51 -2.49 -0.07 0.00 2.15 0.00 0.00 33.22 33.33 1jpa n MET 857 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1jpa n ASP 858 N 3.17 -4.92 -4.64 6.12 8.00 -1.26 -4.97 116.55 118.05 1jpa n ASP 858 Ca 0.16 0.38 -0.41 0.00 0.71 0.00 0.00 54.79 55.63 1jpa n ASP 858 Cb 0.28 -3.77 -0.05 0.00 -0.02 0.00 0.00 41.12 37.56 1jpa n ASP 858 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jpa n PRO 860 N 5.75 0.94 -0.28 0.00 -0.02 -1.26 -4.80 135.00 135.32 1jpa n PRO 860 Ca 0.02 0.33 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1jpa n PRO 860 Cb 0.48 -1.60 0.08 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.63 0.85 -0.96 2.55 0.02 -1.86 -2.18 113.55 113.60 1jpa h SER 861 Ca -0.37 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1jpa h SER 861 Cb 1.37 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 1jpa h SER 861 CO 0.59 0.60 0.62 0.00 -1.14 0.00 0.00 176.83 177.50 1jpa h ALA 862 N 1.31 1.43 -0.43 3.77 0.00 -1.90 0.23 119.26 123.67 1jpa h ALA 862 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1jpa h ALA 862 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1jpa h ALA 862 CO -0.09 0.45 0.06 -0.07 0.00 0.00 0.00 179.25 179.60 1jpa h LEU 863 N 1.15 0.69 -1.16 0.00 3.38 -1.76 -1.67 115.31 115.94 1jpa h LEU 863 Ca 0.40 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1jpa h LEU 863 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jpa h LEU 863 CO -0.14 0.78 -0.38 -0.74 0.09 0.00 0.00 178.44 178.05 1jpa h HIS 864 N 0.58 0.07 -0.51 1.13 2.76 -1.02 -1.65 115.15 116.52 1jpa h HIS 864 Ca 0.13 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1jpa h HIS 864 Cb 0.39 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1jpa h HIS 864 CO 0.03 0.44 0.10 0.37 -1.30 0.00 0.00 177.93 177.57 1jpa h GLN 865 N 0.06 0.83 -0.62 5.26 5.75 -0.62 -1.00 115.11 124.76 1jpa h GLN 865 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1jpa h GLN 865 Cb 0.70 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1jpa h GLN 865 CO 0.05 0.81 0.39 1.25 -2.65 0.00 0.00 178.83 178.69 1jpa h LEU 866 N 0.71 0.72 -0.21 -2.39 5.85 -0.72 -1.20 115.31 118.07 1jpa h LEU 866 Ca 0.16 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jpa h LEU 866 Cb 0.38 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1jpa h LEU 866 CO 0.01 0.54 0.12 0.24 -0.34 0.00 0.00 178.44 179.00 1jpa h MET 867 N 0.84 0.30 -0.45 1.25 2.86 -0.47 -1.81 114.93 117.45 1jpa h MET 867 Ca 0.23 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1jpa h MET 867 Cb -0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jpa h MET 867 CO -0.05 0.27 0.28 -0.07 1.06 0.00 0.00 176.91 178.40 1jpa h LEU 868 N 0.24 0.53 -0.88 1.22 3.38 -0.50 -1.39 115.31 117.91 1jpa h LEU 868 Ca 0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1jpa h LEU 868 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jpa h LEU 868 CO -0.01 0.41 -0.25 0.44 0.09 0.00 0.00 178.44 179.11 1jpa h ASP 869 N 0.62 0.54 0.88 -0.43 3.32 -0.73 -2.32 116.42 118.31 1jpa h ASP 869 Ca 0.16 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1jpa h ASP 869 Cb -0.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1jpa h ASP 869 CO -0.03 0.79 -0.34 0.00 -1.72 0.00 0.00 179.24 177.94 1jpa n TRP 871 N -3.49 2.41 -1.98 0.00 8.01 -0.69 -3.77 117.44 117.92 1jpa n TRP 871 Ca -0.00 -1.31 -0.42 0.00 -1.31 0.00 0.00 57.50 54.45 1jpa n TRP 871 Cb 0.49 -0.72 -0.03 0.00 -2.01 0.00 0.00 31.31 29.04 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 -2.79 4.23 0.20 -0.99 -1.52 -1.17 -4.89 119.66 112.71 1jpa s GLN 872 Ca 0.50 2.28 -0.17 0.00 -1.95 0.00 0.00 55.36 56.02 1jpa s GLN 872 Cb 0.40 -3.38 0.18 0.00 -0.22 0.00 0.00 33.01 29.99 1jpa s GLN 872 CO 0.11 -0.64 1.61 -0.22 -0.25 0.00 0.00 175.29 175.90 1jpa h LYS 873 N 7.52 -0.09 -6.35 2.91 3.64 -1.92 -3.36 116.57 118.91 1jpa h LYS 873 Ca -0.42 0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.40 1jpa h LYS 873 Cb 1.20 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 1jpa h LYS 873 CO 0.91 -0.06 0.92 0.34 -2.27 0.00 0.00 179.45 179.30 1jpa s ASP 874 N -5.19 6.77 0.57 4.20 -1.08 -1.26 -4.89 116.67 115.80 1jpa s ASP 874 Ca -0.14 1.12 0.27 0.00 -0.52 0.00 0.00 52.55 53.27 1jpa s ASP 874 Cb 0.17 -2.54 1.61 0.00 -1.46 0.00 0.00 42.92 40.70 1jpa s ASP 874 CO 0.71 -1.01 2.14 0.08 0.52 0.00 0.00 175.17 177.61 1jpa h ARG 875 N 8.83 0.00 0.00 4.34 0.11 -1.95 -0.38 114.38 125.33 1jpa h ARG 875 Ca -0.24 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.79 1jpa h ARG 875 Cb 1.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 1jpa h ARG 875 CO 1.04 0.00 -0.23 -0.91 0.10 0.00 0.00 179.97 179.97 1jpa h ASN 876 N 0.00 0.00 1.54 0.08 -0.26 -1.91 -2.97 115.58 112.05 1jpa h ASN 876 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1jpa h ASN 876 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1jpa h ASN 876 CO -0.00 0.23 -0.26 0.45 -1.06 0.00 0.00 177.43 176.79 1jpa h HIS 877 N 0.00 0.00 -3.98 1.19 3.86 -1.42 -3.46 115.15 111.34 1jpa h HIS 877 Ca -0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 1jpa h HIS 877 Cb 0.77 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.30 1jpa h HIS 877 CO 0.00 0.00 0.49 1.03 0.86 0.00 0.00 177.93 180.31 1jpa s ARG 878 N -3.20 3.84 0.71 2.45 0.52 -1.13 -4.97 118.95 117.17 1jpa s ARG 878 Ca 0.07 1.80 -0.13 0.00 -0.52 0.00 0.00 55.73 56.95 1jpa s ARG 878 Cb 0.09 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 33.10 1jpa s ARG 878 CO 0.68 -0.49 1.10 -1.25 0.02 0.00 0.00 175.30 175.36 1jpa s PRO 879 N -2.58 2.58 0.47 3.54 0.04 -1.26 -5.03 135.00 132.76 1jpa s PRO 879 Ca 0.62 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1jpa s PRO 879 Cb -0.29 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1jpa s PRO 879 CO 0.36 -1.41 0.73 0.15 0.04 0.00 0.00 177.00 176.87 1jpa s LYS 880 N -4.47 3.28 0.48 4.56 1.02 -1.26 -4.89 119.74 118.45 1jpa s LYS 880 Ca 0.64 -0.14 0.16 0.00 0.02 0.00 0.00 55.97 56.66 1jpa s LYS 880 Cb -0.19 -2.46 1.17 0.00 -0.52 0.00 0.00 37.83 35.83 1jpa s LYS 880 CO 0.48 -0.25 2.06 0.74 -0.92 0.00 0.00 175.35 177.46 1jpa h PHE 881 N 0.30 0.20 -0.58 3.18 -1.00 -1.93 0.66 116.94 117.77 1jpa h PHE 881 Ca -0.47 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.22 1jpa h PHE 881 Cb 1.23 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 1jpa h PHE 881 CO 0.51 0.11 -0.02 0.78 -1.61 0.00 0.00 178.31 178.08 1jpa h GLY 882 N 0.20 1.11 1.76 -1.45 0.00 -1.93 -0.63 103.07 102.13 1jpa h GLY 882 Ca 0.15 -0.82 -0.15 0.00 0.00 0.00 0.00 47.33 46.51 1jpa h GLY 882 CO -0.03 0.75 -0.60 1.46 0.00 0.00 0.00 176.54 178.13 1jpa h GLN 883 N 0.93 0.24 -0.23 4.80 4.20 -1.50 -2.55 115.11 121.00 1jpa h GLN 883 Ca 0.16 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1jpa h GLN 883 Cb 0.57 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1jpa h GLN 883 CO 0.03 0.77 0.04 0.82 -0.67 0.00 0.00 178.83 179.82 1jpa h ILE 884 N 0.18 1.23 -0.63 2.54 2.04 -0.54 -1.82 117.51 120.51 1jpa h ILE 884 Ca -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1jpa h ILE 884 Cb 1.11 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1jpa h ILE 884 CO 0.09 0.24 0.40 0.58 0.00 0.00 0.00 178.15 179.46 1jpa h VAL 885 N 0.19 1.17 -0.47 1.67 2.07 -1.04 -1.55 116.25 118.29 1jpa h VAL 885 Ca 0.07 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1jpa h VAL 885 Cb 0.32 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1jpa h VAL 885 CO 0.00 0.17 -0.06 0.78 0.02 0.00 0.00 177.57 178.49 1jpa h ASN 886 N 0.86 0.87 -0.58 0.57 2.35 -1.10 -0.01 115.58 118.55 1jpa h ASN 886 Ca 0.23 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1jpa h ASN 886 Cb -0.07 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 1jpa h ASN 886 CO -0.05 1.00 0.22 0.74 -1.65 0.00 0.00 177.43 177.69 1jpa h THR 887 N 0.73 1.23 -0.46 2.81 2.02 -0.95 0.18 112.91 118.47 1jpa h THR 887 Ca 0.13 -0.74 -0.13 0.00 0.77 0.00 0.00 66.41 66.44 1jpa h THR 887 Cb 0.59 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1jpa h THR 887 CO 0.04 0.28 -0.24 -0.07 0.37 0.00 0.00 175.52 175.90 1jpa h LEU 888 N 0.80 1.00 -0.94 2.58 3.38 -1.14 -2.32 115.31 118.67 1jpa h LEU 888 Ca 0.19 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1jpa h LEU 888 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jpa h LEU 888 CO -0.01 1.18 0.04 0.44 0.09 0.00 0.00 178.44 180.17 1jpa h ASP 889 N 0.83 0.77 -0.42 -0.43 3.32 -0.69 -1.43 116.42 118.37 1jpa h ASP 889 Ca 0.10 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1jpa h ASP 889 Cb 0.81 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1jpa h ASP 889 CO 0.07 0.82 0.01 0.11 -1.72 0.00 0.00 179.24 178.53 1jpa h LYS 890 N 0.77 0.82 -0.48 3.56 1.57 -0.74 -0.45 116.57 121.61 1jpa h LYS 890 Ca 0.15 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1jpa h LYS 890 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1jpa h LYS 890 CO 0.01 0.82 0.16 0.52 -0.57 0.00 0.00 179.45 180.40 1jpa h MET 891 N 0.77 0.74 -0.67 3.15 2.86 -0.93 0.15 114.93 121.00 1jpa h MET 891 Ca 0.15 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1jpa h MET 891 Cb 0.45 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1jpa h MET 891 CO 0.02 0.69 0.20 0.82 1.06 0.00 0.00 176.91 179.69 1jpa h ILE 892 N 0.64 1.25 0.00 -1.22 2.04 -0.89 -1.93 117.51 117.40 1jpa h ILE 892 Ca 0.16 -0.87 -0.13 0.00 1.00 0.00 0.00 64.86 65.01 1jpa h ILE 892 Cb 0.25 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1jpa h ILE 892 CO -0.01 0.34 -0.63 0.03 0.00 0.00 0.00 178.15 177.88 1jpa h ARG 893 N 1.00 0.00 -2.17 2.37 3.08 -0.75 -3.33 114.38 114.57 1jpa h ARG 893 Ca 0.22 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.68 1jpa h ARG 893 Cb 0.30 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.94 1jpa h ARG 893 CO -0.01 0.63 -0.71 0.09 -1.07 0.00 0.00 179.97 178.91 1jpa n ASN 894 N -3.78 3.22 -0.59 7.04 4.13 0.50 -4.95 115.26 120.83 1jpa n ASN 894 Ca -0.01 -3.36 0.47 0.00 1.68 0.00 0.00 54.58 53.36 1jpa n ASN 894 Cb 0.63 -0.64 0.78 0.00 -1.54 0.00 0.00 39.78 39.01 1jpa n ASN 894 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1jpa h PRO 895 N 3.84 0.02 0.00 3.52 0.11 -1.49 0.20 132.00 138.21 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 0.68 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1jpa h PRO 895 CO 0.76 0.01 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.58 1jpa h ASN 896 N 0.02 0.00 0.09 -2.05 2.35 -1.93 -0.96 115.58 113.10 1jpa h ASN 896 Ca 0.85 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.60 1jpa h ASN 896 Cb 3.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.63 1jpa h ASN 896 CO -0.09 0.07 0.00 0.77 -1.65 0.00 0.00 177.43 176.53 1jpa h SER 897 N 0.00 0.00 0.03 5.81 4.64 -0.89 0.11 113.55 123.25 1jpa h SER 897 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jpa h SER 897 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1jpa h SER 897 CO 0.01 0.00 -0.18 0.18 -0.87 0.00 0.00 176.83 175.96 1jpa n LEU 898 N -2.47 2.01 0.05 5.97 4.77 -0.37 -4.17 117.00 122.81 1jpa n LEU 898 Ca -0.01 -0.68 -0.03 0.00 -0.03 0.00 0.00 56.01 55.25 1jpa n LEU 898 Cb 0.07 -0.02 0.20 0.00 -2.33 0.00 0.00 43.42 41.33 1jpa n LEU 898 CO 0.13 0.35 0.66 0.11 -1.33 0.00 0.00 177.39 177.32 1jpa h LYS 899 N 2.87 0.37 0.00 3.23 1.79 -0.84 -3.42 116.57 120.57 1jpa h LYS 899 Ca 0.00 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1jpa h LYS 899 Cb 0.73 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1jpa h LYS 899 CO 0.00 0.68 0.00 0.00 -1.08 0.00 0.00 179.45 179.05