#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0c h LYS 576 N 0.00 0.00 -1.36 -3.83 1.57 -2.06 -2.13 116.57 108.76 2p0c h LYS 576 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2p0c h LYS 576 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2p0c h LYS 576 CO 0.00 0.03 0.00 1.47 -0.57 0.00 0.00 179.45 180.38 2p0c n LEU 577 N -3.26 1.88 0.07 2.94 -0.00 -1.26 -3.30 117.00 114.07 2p0c n LEU 577 Ca -0.02 -0.94 0.12 0.00 -0.00 0.00 0.00 56.01 55.17 2p0c n LEU 577 Cb 0.17 -0.32 0.18 0.00 -0.00 0.00 0.00 43.42 43.45 2p0c n LEU 577 CO 0.24 0.31 0.38 1.05 -0.00 0.00 0.00 177.39 179.38 2p0c h GLU 578 N 0.73 0.00 -0.81 1.47 9.09 -1.80 -3.36 114.58 119.90 2p0c h GLU 578 Ca 0.00 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.48 2p0c h GLU 578 Cb 0.63 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.66 2p0c h GLU 578 CO 0.00 0.00 0.48 -0.44 0.05 0.00 0.00 179.01 179.10 2p0c h ASP 579 N 0.00 0.73 0.49 3.06 3.32 -1.85 -2.16 116.42 120.01 2p0c h ASP 579 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2p0c h ASP 579 Cb 0.75 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2p0c h ASP 579 CO 0.00 0.45 -0.15 1.62 -1.72 0.00 0.00 179.24 179.44 2p0c h VAL 580 N 0.85 0.57 -3.14 -1.35 3.04 -1.88 -3.43 116.25 110.90 2p0c h VAL 580 Ca 0.37 -0.68 -0.53 0.00 -1.01 0.00 0.00 66.70 64.85 2p0c h VAL 580 Cb 0.25 1.44 0.01 0.00 -2.01 0.00 0.00 31.29 30.98 2p0c h VAL 580 CO -0.20 0.14 0.61 -0.69 -1.01 0.00 0.00 177.57 176.42 2p0c s VAL 581 N -4.07 3.90 -0.03 1.51 1.01 -0.81 -0.57 120.40 121.34 2p0c s VAL 581 Ca -0.02 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 2p0c s VAL 581 Cb 0.12 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2p0c s VAL 581 CO 0.60 0.10 0.04 -0.63 0.00 0.00 0.00 175.10 175.20 2p0c s ILE 582 N 1.18 4.45 0.13 2.22 1.01 0.20 -4.84 121.20 125.55 2p0c s ILE 582 Ca 0.60 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 2p0c s ILE 582 Cb -0.31 -2.98 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 2p0c s ILE 582 CO 0.29 0.43 1.31 -0.62 0.00 0.00 0.00 174.94 176.35 2p0c s ASP 583 N -1.43 6.92 0.46 3.58 2.15 -1.26 -4.42 116.67 122.66 2p0c s ASP 583 Ca 0.19 2.26 0.14 0.00 0.43 0.00 0.00 52.55 55.57 2p0c s ASP 583 Cb -0.12 -2.59 1.07 0.00 -0.30 0.00 0.00 42.92 40.98 2p0c s ASP 583 CO 0.09 -0.56 2.04 -0.09 -0.17 0.00 0.00 175.17 176.48 2p0c h ARG 584 N 6.38 0.31 0.00 4.34 1.12 -1.95 -1.70 114.38 122.88 2p0c h ARG 584 Ca -0.43 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 2p0c h ARG 584 Cb 1.21 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2p0c h ARG 584 CO 0.82 0.21 0.00 0.27 -3.11 0.00 0.00 179.97 178.16 2p0c n ASN 585 N -4.47 0.00 -0.23 -3.80 2.04 -1.26 -2.21 115.26 105.33 2p0c n ASN 585 Ca 0.06 -0.40 0.13 0.00 -0.44 0.00 0.00 54.58 53.92 2p0c n ASN 585 Cb 0.26 -0.17 0.30 0.00 -2.53 0.00 0.00 39.78 37.64 2p0c n ASN 585 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2p0c n LEU 586 N -1.17 1.05 -4.45 -4.53 4.77 -0.64 -4.87 117.00 107.16 2p0c n LEU 586 Ca 0.16 -0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.52 2p0c n LEU 586 Cb 0.17 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 2p0c n LEU 586 CO 0.18 0.20 -0.39 -0.22 -1.33 0.00 0.00 177.39 175.83 2p0c s LEU 587 N -2.59 3.02 -0.15 2.23 2.96 -0.94 -1.06 118.68 122.14 2p0c s LEU 587 Ca 0.21 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2p0c s LEU 587 Cb 0.19 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 45.17 2p0c s LEU 587 CO 0.56 0.18 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.97 2p0c s ILE 588 N 0.30 2.50 -0.10 6.68 -1.09 -0.63 -5.00 121.20 123.85 2p0c s ILE 588 Ca -0.06 -0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 57.48 2p0c s ILE 588 Cb -0.15 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 2p0c s ILE 588 CO 0.04 0.52 0.10 -0.76 -1.23 0.00 0.00 174.94 173.61 2p0c s LEU 589 N 0.83 4.14 0.00 2.97 1.43 -1.26 -1.56 118.68 125.23 2p0c s LEU 589 Ca -0.05 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2p0c s LEU 589 Cb -0.15 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2p0c s LEU 589 CO -0.01 0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.57 2p0c n GLY 590 N 1.96 2.72 3.79 -3.19 0.00 0.05 -4.99 105.19 105.54 2p0c n GLY 590 Ca -0.19 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2p0c n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p0c s LYS 591 N 3.82 3.08 0.21 1.61 1.02 -1.26 -4.71 119.74 123.51 2p0c s LYS 591 Ca 0.00 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.96 2p0c s LYS 591 Cb 0.00 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.23 2p0c s LYS 591 CO 0.00 -1.01 1.25 0.42 -0.92 0.00 0.00 175.35 175.09 2p0c s ILE 592 N -2.45 3.33 -0.14 2.17 -1.09 -1.26 -1.31 121.20 120.46 2p0c s ILE 592 Ca 0.65 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 60.25 2p0c s ILE 592 Cb -0.18 -3.72 -0.23 0.00 -1.58 0.00 0.00 42.46 36.75 2p0c s ILE 592 CO 0.40 0.19 0.26 0.18 -1.23 0.00 0.00 174.94 174.74 2p0c n LEU 593 N 2.37 1.70 -3.64 2.97 4.77 0.16 -4.85 117.00 120.48 2p0c n LEU 593 Ca 0.05 0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 2p0c n LEU 593 Cb 0.44 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2p0c n LEU 593 CO 0.57 0.67 0.86 -0.83 -1.33 0.00 0.00 177.39 177.34 2p0c s GLY 594 N -5.64 -0.34 -0.22 -0.72 0.00 -1.17 -5.04 107.32 94.19 2p0c s GLY 594 Ca -0.18 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.27 2p0c s GLY 594 CO 0.76 0.19 -0.10 1.85 0.00 0.00 0.00 173.10 175.80 2p0c s GLU 595 N -2.85 2.05 -0.10 2.90 2.56 -1.26 -2.62 118.70 119.38 2p0c s GLU 595 Ca 0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 54.97 53.99 2p0c s GLU 595 Cb 0.01 -2.55 -0.05 0.00 2.00 0.00 0.00 34.13 33.54 2p0c s GLU 595 CO -0.03 -0.47 0.28 0.12 -0.56 0.00 0.00 175.26 174.60 2p0c s PHE 598 N 1.33 3.58 -5.00 5.30 5.36 -1.26 -4.85 117.98 122.44 2p0c s PHE 598 Ca -0.03 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 2p0c s PHE 598 Cb -0.17 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 2p0c s PHE 598 CO -0.07 0.51 0.00 0.41 -1.46 0.00 0.00 175.22 174.61 2p0c n GLY 599 N 2.49 -0.29 3.90 13.12 0.00 -1.26 -4.49 105.19 118.67 2p0c n GLY 599 Ca -0.15 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 2p0c n GLY 599 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p0c s SER 600 N -4.00 6.38 -0.13 1.61 0.01 -1.26 -4.91 113.70 111.41 2p0c s SER 600 Ca 0.00 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.65 2p0c s SER 600 Cb 0.00 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2p0c s SER 600 CO 0.00 0.25 -0.22 0.54 0.41 0.00 0.00 173.24 174.22 2p0c s VAL 601 N -1.35 2.11 0.16 3.43 0.11 -1.08 -0.88 120.40 122.90 2p0c s VAL 601 Ca 0.28 -0.98 0.09 0.00 -2.93 0.00 0.00 61.98 58.45 2p0c s VAL 601 Cb -0.13 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 2p0c s VAL 601 CO 0.19 0.55 -0.20 -0.04 -3.33 0.00 0.00 175.10 172.28 2p0c s MET 602 N 0.66 1.29 0.42 1.54 -1.94 0.22 0.39 119.30 121.87 2p0c s MET 602 Ca -0.11 -1.38 -0.22 0.00 -1.71 0.00 0.00 55.69 52.27 2p0c s MET 602 Cb -0.16 -1.42 -0.10 0.00 2.01 0.00 0.00 34.83 35.15 2p0c s MET 602 CO 0.02 0.30 0.97 -1.83 -0.01 0.00 0.00 175.02 174.46 2p0c s GLU 603 N -2.62 4.23 0.32 2.03 4.04 -0.42 -0.32 118.70 125.95 2p0c s GLU 603 Ca 0.15 1.21 -0.19 0.00 0.04 0.00 0.00 54.97 56.18 2p0c s GLU 603 Cb -0.07 -2.29 0.03 0.00 0.02 0.00 0.00 34.13 31.83 2p0c s GLU 603 CO 0.07 -0.04 0.74 0.20 -1.84 0.00 0.00 175.26 174.39 2p0c s GLY 604 N -2.03 0.10 -0.14 -3.83 0.00 -0.46 -0.77 107.32 100.20 2p0c s GLY 604 Ca 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2p0c s GLY 604 CO 0.16 -0.19 -0.15 -1.31 0.00 0.00 0.00 173.10 171.61 2p0c s ASN 605 N -2.98 3.73 -0.22 1.64 0.01 -0.60 -0.65 114.94 115.86 2p0c s ASN 605 Ca 0.13 -0.43 -0.07 0.00 -0.71 0.00 0.00 52.86 51.78 2p0c s ASN 605 Cb -0.06 -1.57 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 2p0c s ASN 605 CO 0.09 0.12 0.06 -0.22 -1.51 0.00 0.00 177.10 175.63 2p0c s LEU 606 N 0.62 3.52 0.05 0.60 2.96 0.40 -1.61 118.68 125.22 2p0c s LEU 606 Ca -0.09 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 2p0c s LEU 606 Cb -0.16 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2p0c s LEU 606 CO 0.03 0.05 1.17 -0.75 -1.32 0.00 0.00 176.35 175.52 2p0c s LYS 607 N 1.13 4.44 0.26 1.98 2.36 -0.22 -0.61 119.74 129.09 2p0c s LYS 607 Ca 0.04 1.71 0.07 0.00 -2.55 0.00 0.00 55.97 55.24 2p0c s LYS 607 Cb -0.14 -3.38 -0.03 0.00 -1.05 0.00 0.00 37.83 33.23 2p0c s LYS 607 CO 0.03 -0.24 0.24 -0.65 1.55 0.00 0.00 175.35 176.28 2p0c s GLN 608 N 1.13 2.98 0.57 4.03 -0.21 0.88 -4.97 119.66 124.07 2p0c s GLN 608 Ca 0.58 -1.04 0.29 0.00 0.02 0.00 0.00 55.36 55.20 2p0c s GLN 608 Cb -0.28 -2.61 1.47 0.00 1.00 0.00 0.00 33.01 32.60 2p0c s GLN 608 CO 0.29 0.35 1.92 1.49 -2.12 0.00 0.00 175.29 177.22 2p0c h GLU 609 N 1.39 0.00 0.00 2.91 4.57 -1.96 0.12 114.58 121.61 2p0c h GLU 609 Ca -0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2p0c h GLU 609 Cb 1.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2p0c h GLU 609 CO 0.60 0.00 -0.04 0.22 -1.18 0.00 0.00 179.01 178.61 2p0c h ASP 610 N 0.00 0.00 0.00 1.04 1.82 -2.01 -3.46 116.42 113.81 2p0c h ASP 610 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2p0c h ASP 610 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2p0c h ASP 610 CO -0.00 0.04 0.00 0.61 -1.61 0.00 0.00 179.24 178.27 2p0c n GLY 611 N -0.81 3.18 3.88 -0.78 0.00 0.40 -5.06 105.19 106.00 2p0c n GLY 611 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2p0c n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p0c s THR 612 N -2.78 4.75 -0.10 2.61 -4.23 -1.26 -4.71 115.64 109.92 2p0c s THR 612 Ca 0.00 0.70 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 2p0c s THR 612 Cb 0.00 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2p0c s THR 612 CO 0.00 -0.87 0.02 -0.44 -0.54 0.00 0.00 174.62 172.79 2p0c s SER 613 N -3.77 5.38 -0.09 3.99 0.01 -1.26 -0.08 113.70 117.88 2p0c s SER 613 Ca 0.53 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2p0c s SER 613 Cb -0.10 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 2p0c s SER 613 CO 0.43 0.35 -0.07 -0.22 0.41 0.00 0.00 173.24 174.14 2p0c s LEU 614 N -0.69 3.12 -0.00 2.44 2.96 0.22 -4.93 118.68 121.80 2p0c s LEU 614 Ca 0.11 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 2p0c s LEU 614 Cb -0.12 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 2p0c s LEU 614 CO 0.02 0.31 1.54 -0.75 -1.32 0.00 0.00 176.35 176.15 2p0c s LYS 615 N -0.49 4.23 0.29 1.98 2.47 -1.26 -0.45 119.74 126.51 2p0c s LYS 615 Ca 0.07 2.12 0.09 0.00 -1.56 0.00 0.00 55.97 56.69 2p0c s LYS 615 Cb -0.12 -3.71 -0.06 0.00 -1.46 0.00 0.00 37.83 32.49 2p0c s LYS 615 CO 0.02 -0.71 -0.11 0.14 0.16 0.00 0.00 175.35 174.86 2p0c s VAL 616 N 2.99 1.99 -0.04 4.02 -7.23 0.17 -1.29 120.40 121.02 2p0c s VAL 616 Ca 0.69 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 2p0c s VAL 616 Cb -0.34 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2p0c s VAL 616 CO 0.28 -0.33 -0.10 0.00 -0.31 0.00 0.00 175.10 174.65 2p0c s ALA 617 N -2.79 2.87 -0.23 1.32 0.00 0.14 -1.35 121.76 121.71 2p0c s ALA 617 Ca 0.29 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2p0c s ALA 617 Cb 0.01 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 22.09 2p0c s ALA 617 CO 0.13 0.57 -0.04 0.08 0.00 0.00 0.00 175.76 176.50 2p0c s VAL 618 N -0.82 1.39 -0.24 0.00 1.01 0.57 -1.06 120.40 121.25 2p0c s VAL 618 Ca 0.13 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 2p0c s VAL 618 Cb -0.11 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2p0c s VAL 618 CO 0.02 -0.11 0.26 -0.54 0.00 0.00 0.00 175.10 174.73 2p0c s LYS 619 N 1.46 4.07 0.23 2.72 1.02 -0.94 -0.61 119.74 127.69 2p0c s LYS 619 Ca -0.05 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.77 2p0c s LYS 619 Cb -0.19 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 2p0c s LYS 619 CO -0.06 -0.05 0.49 0.95 -0.92 0.00 0.00 175.35 175.76 2p0c s THR 620 N 1.37 5.05 0.00 2.17 -4.23 -0.06 -0.52 115.64 119.43 2p0c s THR 620 Ca 0.11 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2p0c s THR 620 Cb -0.15 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2p0c s THR 620 CO 0.07 -0.16 0.00 1.15 -0.54 0.00 0.00 174.62 175.14 2p0c n MET 621 N -0.46 0.00 0.00 3.99 0.00 -0.90 -4.10 117.12 115.66 2p0c n MET 621 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 2p0c n MET 621 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 2p0c n MET 621 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2p0c n GLU 633 N 0.00 0.00 -0.69 3.17 2.13 -1.26 -4.41 120.64 119.58 2p0c n GLU 633 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2p0c n GLU 633 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 2p0c n GLU 633 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 2p0c n PHE 634 N -1.78 0.00 0.09 4.31 -0.00 -1.26 -4.99 117.46 113.83 2p0c n PHE 634 Ca 0.00 -0.42 -0.05 0.00 -0.00 0.00 0.00 57.45 56.98 2p0c n PHE 634 Cb 0.00 -0.11 0.12 0.00 -0.00 0.00 0.00 39.48 39.49 2p0c n PHE 634 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2p0c h LEU 635 N 0.34 0.26 -0.57 5.98 3.38 -1.99 -3.25 115.31 119.46 2p0c h LEU 635 Ca -0.06 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2p0c h LEU 635 Cb 1.43 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2p0c h LEU 635 CO 0.03 0.81 0.32 -1.28 0.09 0.00 0.00 178.44 178.40 2p0c h SER 636 N 0.17 0.50 -0.60 -0.43 0.87 -1.94 0.36 113.55 112.48 2p0c h SER 636 Ca -0.01 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 2p0c h SER 636 Cb 1.11 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 2p0c h SER 636 CO 0.09 0.34 0.09 -0.08 -0.53 0.00 0.00 176.83 176.74 2p0c h GLU 637 N 0.62 0.99 -0.61 2.24 4.81 -1.98 -0.48 114.58 120.17 2p0c h GLU 637 Ca 0.24 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2p0c h GLU 637 Cb 0.10 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2p0c h GLU 637 CO -0.14 0.94 0.11 0.00 -0.73 0.00 0.00 179.01 179.19 2p0c h ALA 638 N 1.01 1.04 -0.61 2.92 0.00 -1.45 0.17 119.26 122.34 2p0c h ALA 638 Ca 0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2p0c h ALA 638 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2p0c h ALA 638 CO 0.01 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.93 2p0c h ALA 639 N 1.18 0.82 0.08 0.00 0.00 -0.10 0.15 119.26 121.39 2p0c h ALA 639 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2p0c h ALA 639 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2p0c h ALA 639 CO 0.01 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 2p0c h MET 641 N -0.13 0.24 -0.09 0.00 2.86 -0.49 -2.31 114.93 115.02 2p0c h MET 641 Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2p0c h MET 641 Cb 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2p0c h MET 641 CO 0.02 0.27 0.02 -0.22 1.06 0.00 0.00 176.91 178.06 2p0c h LYS 642 N 0.24 0.12 0.00 1.72 3.64 -0.48 -2.62 116.57 119.20 2p0c h LYS 642 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2p0c h LYS 642 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2p0c h LYS 642 CO 0.00 0.12 -0.10 -0.25 -2.27 0.00 0.00 179.45 176.95 2p0c n ASP 643 N -4.48 0.13 -4.73 4.20 8.00 -0.87 -4.72 116.55 114.08 2p0c n ASP 643 Ca -0.02 0.36 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 2p0c n ASP 643 Cb 0.11 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2p0c n ASP 643 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2p0c s PHE 644 N -3.01 3.03 -0.38 1.24 0.08 -0.99 -4.99 117.98 112.96 2p0c s PHE 644 Ca 0.13 0.77 0.03 0.00 0.12 0.00 0.00 56.93 57.98 2p0c s PHE 644 Cb 0.18 -3.90 0.15 0.00 -0.57 0.00 0.00 43.02 38.89 2p0c s PHE 644 CO 0.57 -3.18 0.34 0.45 -0.10 0.00 0.00 175.22 173.30 2p0c s SER 645 N 0.83 1.55 -0.15 1.36 0.15 -1.26 -4.82 113.70 111.37 2p0c s SER 645 Ca 0.66 -1.95 -0.13 0.00 0.70 0.00 0.00 55.95 55.23 2p0c s SER 645 Cb -0.43 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2p0c s SER 645 CO 0.36 -0.25 0.40 -2.28 1.20 0.00 0.00 173.24 172.67 2p0c s HIS 646 N 1.13 -0.45 0.56 3.44 5.04 -1.26 -5.05 115.29 118.69 2p0c s HIS 646 Ca 0.20 1.09 0.26 0.00 -1.54 0.00 0.00 55.06 55.06 2p0c s HIS 646 Cb -0.14 0.16 1.55 0.00 0.04 0.00 0.00 32.58 34.19 2p0c s HIS 646 CO -0.04 -0.22 2.12 -1.00 -2.34 0.00 0.00 174.74 173.26 2p0c h PRO 647 N 5.69 0.00 -0.62 2.88 0.13 -1.99 -1.78 132.00 136.31 2p0c h PRO 647 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2p0c h PRO 647 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2p0c h PRO 647 CO 0.26 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.12 2p0c n ASN 648 N -4.07 4.91 -3.90 1.44 5.03 -1.26 -4.64 115.26 112.77 2p0c n ASN 648 Ca 0.01 -2.55 -0.23 0.00 0.87 0.00 0.00 54.58 52.68 2p0c n ASN 648 Cb 0.29 -0.59 -0.17 0.00 -1.02 0.00 0.00 39.78 38.28 2p0c n ASN 648 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2p0c s VAL 649 N -2.04 0.73 0.33 2.41 1.01 -0.67 -0.76 120.40 121.40 2p0c s VAL 649 Ca 0.51 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2p0c s VAL 649 Cb 0.34 -0.74 -0.11 0.00 0.00 0.00 0.00 36.38 35.87 2p0c s VAL 649 CO 0.22 0.28 1.56 -0.51 0.00 0.00 0.00 175.10 176.66 2p0c s ILE 650 N 1.16 2.03 -0.10 2.22 2.07 -0.35 -4.47 121.20 123.77 2p0c s ILE 650 Ca -0.07 0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 58.99 2p0c s ILE 650 Cb -0.14 -3.02 -0.04 0.00 0.13 0.00 0.00 42.46 39.39 2p0c s ILE 650 CO -0.01 0.01 0.61 0.00 -1.91 0.00 0.00 174.94 173.63 2p0c s ARG 651 N -1.09 4.38 0.01 3.50 1.70 -1.26 -5.00 118.95 121.19 2p0c s ARG 651 Ca 0.60 0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 56.26 2p0c s ARG 651 Cb -0.48 -3.45 -0.04 0.00 -0.57 0.00 0.00 34.95 30.41 2p0c s ARG 651 CO 0.54 0.07 0.94 -1.17 -1.08 0.00 0.00 175.30 174.60 2p0c s LEU 652 N 0.83 4.39 -0.04 -1.89 2.96 -1.26 -4.16 118.68 119.50 2p0c s LEU 652 Ca 0.32 1.62 0.06 0.00 -0.22 0.00 0.00 54.13 55.92 2p0c s LEU 652 Cb -0.17 -3.51 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 2p0c s LEU 652 CO 0.14 -0.20 0.66 -0.07 -1.32 0.00 0.00 176.35 175.57 2p0c h LEU 653 N 6.53 0.14 0.00 -0.68 3.38 -1.12 -3.41 115.31 120.14 2p0c h LEU 653 Ca -0.41 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2p0c h LEU 653 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2p0c h LEU 653 CO 0.74 1.24 0.00 0.61 0.09 0.00 0.00 178.44 181.12 2p0c n GLY 654 N 1.65 -1.56 3.13 0.83 0.00 -1.23 -4.98 105.19 103.02 2p0c n GLY 654 Ca -0.19 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 2p0c n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p0c s VAL 655 N -2.68 1.00 -0.00 1.61 -7.23 0.27 -0.63 120.40 112.73 2p0c s VAL 655 Ca 0.00 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 2p0c s VAL 655 Cb 0.00 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 2p0c s VAL 655 CO 0.00 -0.08 -0.08 0.00 -0.31 0.00 0.00 175.10 174.63 2p0c n ILE 657 N 1.64 0.00 -2.85 0.00 -0.00 -1.26 0.12 119.36 117.01 2p0c n ILE 657 Ca -0.16 -1.45 -0.43 0.00 -0.00 0.00 0.00 62.75 60.70 2p0c n ILE 657 Cb 0.52 0.38 -0.02 0.00 -0.00 0.00 0.00 39.64 40.53 2p0c n ILE 657 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2p0c s PRO 665 N -3.05 3.79 -0.35 0.38 0.04 -1.26 -4.64 135.00 129.91 2p0c s PRO 665 Ca 0.05 -1.95 -0.01 0.00 0.04 0.00 0.00 61.00 59.13 2p0c s PRO 665 Cb 0.00 -5.09 0.08 0.00 0.04 0.00 0.00 34.50 29.54 2p0c s PRO 665 CO 0.03 -1.88 0.08 0.15 0.04 0.00 0.00 177.00 175.43 2p0c s LYS 666 N 2.81 2.07 0.12 4.56 1.02 -1.26 -5.10 119.74 123.96 2p0c s LYS 666 Ca 0.40 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.48 2p0c s LYS 666 Cb -0.03 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 2p0c s LYS 666 CO -0.05 -0.85 1.00 -1.25 -0.92 0.00 0.00 175.35 173.28 2p0c s PRO 667 N 1.13 4.66 -0.03 -1.68 0.04 -1.26 -4.90 135.00 132.97 2p0c s PRO 667 Ca 0.03 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2p0c s PRO 667 Cb -0.21 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 30.99 2p0c s PRO 667 CO -0.04 0.16 -0.04 -1.64 0.04 0.00 0.00 177.00 175.48 2p0c s MET 668 N -0.03 0.58 -0.16 4.56 -1.94 0.12 -2.11 119.30 120.32 2p0c s MET 668 Ca 0.48 -0.10 -0.07 0.00 -1.71 0.00 0.00 55.69 54.29 2p0c s MET 668 Cb -0.25 -0.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.94 2p0c s MET 668 CO 0.31 -0.01 0.07 0.14 -0.01 0.00 0.00 175.02 175.51 2p0c s VAL 669 N 0.54 4.86 -0.26 -6.03 -7.23 0.33 -0.81 120.40 111.78 2p0c s VAL 669 Ca -0.06 -0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.98 2p0c s VAL 669 Cb -0.10 -3.16 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 2p0c s VAL 669 CO -0.00 0.50 0.17 -0.63 -0.31 0.00 0.00 175.10 174.83 2p0c s ILE 670 N -0.01 5.19 0.10 -0.62 -1.09 0.20 -2.22 121.20 122.75 2p0c s ILE 670 Ca 0.06 0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.68 2p0c s ILE 670 Cb -0.12 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2p0c s ILE 670 CO 0.01 0.29 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.08 2p0c s LEU 671 N 1.54 2.33 0.37 2.97 1.43 -0.23 -0.43 118.68 126.67 2p0c s LEU 671 Ca 0.07 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.18 2p0c s LEU 671 Cb -0.15 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.32 2p0c s LEU 671 CO 0.08 -0.06 1.38 -2.84 0.23 0.00 0.00 176.35 175.15 2p0c s PRO 672 N -2.12 4.16 0.18 1.29 0.02 -1.26 0.26 135.00 137.52 2p0c s PRO 672 Ca 0.05 2.35 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 2p0c s PRO 672 Cb -0.08 -2.95 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 2p0c s PRO 672 CO 0.03 -0.41 1.21 0.12 -0.33 0.00 0.00 177.00 177.62 2p0c s PHE 673 N -1.16 3.41 -0.46 6.54 5.36 -0.41 -4.27 117.98 127.00 2p0c s PHE 673 Ca 0.52 1.40 -0.04 0.00 -0.96 0.00 0.00 56.93 57.85 2p0c s PHE 673 Cb -0.42 -3.44 0.12 0.00 -0.34 0.00 0.00 43.02 38.93 2p0c s PHE 673 CO 0.56 -1.27 0.27 -1.64 -1.46 0.00 0.00 175.22 171.69 2p0c s MET 674 N -0.15 2.20 0.56 10.12 -1.94 -1.26 -4.90 119.30 123.94 2p0c s MET 674 Ca 0.53 -1.91 0.25 0.00 -1.71 0.00 0.00 55.69 52.86 2p0c s MET 674 Cb -0.33 -3.69 1.54 0.00 2.01 0.00 0.00 34.83 34.36 2p0c s MET 674 CO 0.36 -1.12 2.12 1.57 -0.01 0.00 0.00 175.02 177.94 2p0c h LYS 675 N 8.01 0.00 -0.00 2.03 2.10 -1.95 -0.01 116.57 126.75 2p0c h LYS 675 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2p0c h LYS 675 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2p0c h LYS 675 CO 0.74 0.00 -0.10 0.66 -2.00 0.00 0.00 179.45 178.75 2p0c n TYR 676 N -4.09 0.00 -4.31 0.07 4.01 -1.26 -5.03 117.16 106.56 2p0c n TYR 676 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2p0c n TYR 676 Cb 0.28 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2p0c n TYR 676 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p0c n GLY 677 N 1.37 -1.16 3.85 2.72 0.00 -0.02 -4.78 105.19 107.17 2p0c n GLY 677 Ca 0.11 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 2p0c n GLY 677 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2p0c s ASP 678 N -4.00 6.26 0.20 1.61 -4.77 -1.26 -1.39 116.67 113.32 2p0c s ASP 678 Ca 0.00 1.52 -0.05 0.00 -3.30 0.00 0.00 52.55 50.71 2p0c s ASP 678 Cb 0.00 -2.49 0.15 0.00 -1.09 0.00 0.00 42.92 39.49 2p0c s ASP 678 CO 0.00 -0.84 1.60 0.25 0.70 0.00 0.00 175.17 176.88 2p0c h LEU 679 N 0.12 0.81 0.15 2.11 5.85 -0.58 -2.98 115.31 120.79 2p0c h LEU 679 Ca -0.45 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 57.98 2p0c h LEU 679 Cb 1.19 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2p0c h LEU 679 CO 0.61 1.03 -0.29 -0.74 -0.34 0.00 0.00 178.44 178.71 2p0c h HIS 680 N 0.68 -0.79 -0.65 1.25 2.76 -1.75 -0.22 115.15 116.43 2p0c h HIS 680 Ca 0.09 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2p0c h HIS 680 Cb 0.79 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 30.03 2p0c h HIS 680 CO 0.04 -0.40 0.40 1.15 -1.30 0.00 0.00 177.93 177.82 2p0c h THR 681 N -0.52 1.08 -0.30 6.26 2.02 -1.89 -2.41 112.91 117.14 2p0c h THR 681 Ca 0.02 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.00 2p0c h THR 681 Cb 0.54 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 2p0c h THR 681 CO -0.15 0.14 -0.11 0.22 0.37 0.00 0.00 175.52 175.99 2p0c h TYR 682 N 0.79 -0.25 -0.54 3.16 5.03 -1.32 0.25 116.97 124.08 2p0c h TYR 682 Ca 0.26 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.69 2p0c h TYR 682 Cb 0.02 0.16 -0.07 0.00 1.55 0.00 0.00 36.73 38.39 2p0c h TYR 682 CO -0.05 -0.17 0.16 -0.07 -1.32 0.00 0.00 178.16 176.70 2p0c h LEU 683 N -0.05 0.10 -0.32 2.82 3.38 -0.63 -1.59 115.31 119.02 2p0c h LEU 683 Ca 0.15 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2p0c h LEU 683 Cb 0.28 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2p0c h LEU 683 CO -0.34 0.08 -0.28 -0.07 0.09 0.00 0.00 178.44 177.92 2p0c h LEU 684 N 0.31 0.80 -1.88 1.67 3.38 -1.08 -2.85 115.31 115.66 2p0c h LEU 684 Ca 0.27 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2p0c h LEU 684 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2p0c h LEU 684 CO -0.31 1.09 0.03 1.88 0.09 0.00 0.00 178.44 181.21 2p0c h TYR 685 N 0.52 0.10 0.00 1.13 0.99 -0.74 -2.41 116.97 116.56 2p0c h TYR 685 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2p0c h TYR 685 Cb 0.85 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.54 2p0c h TYR 685 CO 0.07 0.08 0.00 -1.13 -0.00 0.00 0.00 178.16 177.18 2p0c n SER 686 N -4.50 0.45 -0.77 3.88 3.41 -0.62 -0.72 113.62 114.76 2p0c n SER 686 Ca -0.02 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2p0c n SER 686 Cb 0.10 -0.70 0.31 0.00 -0.26 0.00 0.00 64.21 63.66 2p0c n SER 686 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2p0c n ARG 687 N -1.99 2.00 -4.33 4.33 1.74 -0.91 -4.21 116.66 113.30 2p0c n ARG 687 Ca 0.03 -1.51 -0.24 0.00 -0.77 0.00 0.00 57.85 55.35 2p0c n ARG 687 Cb 0.22 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.11 2p0c n ARG 687 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2p0c s LEU 688 N -1.51 2.28 0.56 0.55 1.43 0.11 -5.12 118.68 116.98 2p0c s LEU 688 Ca 0.34 -0.66 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 2p0c s LEU 688 Cb 0.19 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 2p0c s LEU 688 CO 0.27 0.07 1.15 -1.61 0.23 0.00 0.00 176.35 176.46 2p0c s GLU 689 N -1.79 3.22 0.00 1.70 0.41 -1.26 -2.57 118.70 118.41 2p0c s GLU 689 Ca 0.06 1.66 0.00 0.00 -0.41 0.00 0.00 54.97 56.28 2p0c s GLU 689 Cb -0.10 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 2p0c s GLU 689 CO 0.04 -0.97 0.00 0.25 -0.49 0.00 0.00 175.26 174.09 2p0c n THR 690 N -1.44 0.00 -2.01 3.63 -2.24 -1.26 -5.02 114.28 105.94 2p0c n THR 690 Ca 0.12 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.86 2p0c n THR 690 Cb 0.51 -0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 2p0c n THR 690 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p0c n GLY 691 N -2.00 0.27 3.65 3.38 0.00 -1.06 -5.06 105.19 104.36 2p0c n GLY 691 Ca 0.00 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2p0c n GLY 691 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p0c n PRO 692 N -1.30 -0.21 -1.13 1.61 -0.04 -1.26 -4.95 135.00 127.72 2p0c n PRO 692 Ca 0.02 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2p0c n PRO 692 Cb 0.09 -2.34 0.22 0.00 -0.04 0.00 0.00 33.50 31.43 2p0c n PRO 692 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2p0c s LYS 693 N -4.32 -0.78 -0.14 0.54 0.00 -1.26 -4.33 119.74 109.45 2p0c s LYS 693 Ca 0.68 0.05 -0.29 0.00 0.00 0.00 0.00 55.97 56.42 2p0c s LYS 693 Cb -0.25 -1.64 -0.06 0.00 0.00 0.00 0.00 37.83 35.88 2p0c s LYS 693 CO 0.56 -3.44 2.05 -1.58 0.00 0.00 0.00 175.35 172.94 2p0c s HIS 694 N -3.03 1.34 -0.25 1.78 2.46 -1.26 -4.82 115.29 111.51 2p0c s HIS 694 Ca 0.70 0.22 -0.29 0.00 0.47 0.00 0.00 55.06 56.15 2p0c s HIS 694 Cb -0.12 -4.05 -0.02 0.00 -0.13 0.00 0.00 32.58 28.27 2p0c s HIS 694 CO 0.56 -4.39 1.61 0.42 -2.47 0.00 0.00 174.74 170.47 2p0c s ILE 695 N 6.63 3.70 0.72 0.89 1.01 -1.26 -5.00 121.20 127.90 2p0c s ILE 695 Ca 0.92 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 62.22 2p0c s ILE 695 Cb -0.35 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.40 2p0c s ILE 695 CO 0.36 -0.35 1.10 -2.16 0.00 0.00 0.00 174.94 173.90 2p0c s PRO 696 N 4.80 2.48 0.42 2.79 0.04 -1.26 -4.84 135.00 139.42 2p0c s PRO 696 Ca 0.71 1.26 0.23 0.00 0.04 0.00 0.00 61.00 63.24 2p0c s PRO 696 Cb -0.23 -1.92 1.24 0.00 0.04 0.00 0.00 34.50 33.62 2p0c s PRO 696 CO 0.30 -1.48 1.71 1.25 0.04 0.00 0.00 177.00 178.82 2p0c h LEU 697 N -0.64 0.36 -0.40 -3.56 5.85 -1.99 -1.97 115.31 112.96 2p0c h LEU 697 Ca -0.45 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 2p0c h LEU 697 Cb 1.24 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2p0c h LEU 697 CO 0.52 -0.03 -0.02 1.56 -0.34 0.00 0.00 178.44 180.14 2p0c h GLN 698 N 0.26 0.71 -0.49 1.25 7.50 -1.98 -0.72 115.11 121.64 2p0c h GLN 698 Ca 0.68 -0.24 -0.08 0.00 0.50 0.00 0.00 58.65 59.51 2p0c h GLN 698 Cb 1.93 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 29.38 2p0c h GLN 698 CO -0.34 0.81 -0.04 1.15 -1.50 0.00 0.00 178.83 178.91 2p0c h THR 699 N 0.54 1.25 -0.68 -0.54 2.02 -1.73 -0.97 112.91 112.79 2p0c h THR 699 Ca 0.11 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 2p0c h THR 699 Cb 0.50 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2p0c h THR 699 CO 0.02 0.38 0.33 -0.07 0.37 0.00 0.00 175.52 176.55 2p0c h LEU 700 N 0.77 0.89 -0.60 2.58 3.38 -1.17 -0.49 115.31 120.68 2p0c h LEU 700 Ca 0.14 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2p0c h LEU 700 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2p0c h LEU 700 CO 0.03 0.78 -0.55 -0.07 0.09 0.00 0.00 178.44 178.71 2p0c h LEU 701 N 0.95 0.48 -0.93 1.67 3.38 -0.99 -2.84 115.31 117.03 2p0c h LEU 701 Ca 0.23 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2p0c h LEU 701 Cb 0.12 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2p0c h LEU 701 CO -0.03 0.93 0.15 0.50 0.09 0.00 0.00 178.44 180.09 2p0c h LYS 702 N 0.33 0.93 -0.91 1.13 1.63 -0.84 -1.36 116.57 117.49 2p0c h LYS 702 Ca 0.01 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 59.64 2p0c h LYS 702 Cb 1.07 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 32.51 2p0c h LYS 702 CO 0.10 0.83 0.60 0.74 -3.45 0.00 0.00 179.45 178.26 2p0c h PHE 703 N 0.90 1.10 -0.11 1.91 0.04 -0.94 -1.64 116.94 118.19 2p0c h PHE 703 Ca 0.19 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.82 2p0c h PHE 703 Cb 0.31 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2p0c h PHE 703 CO 0.02 0.63 -0.67 0.52 -0.60 0.00 0.00 178.31 178.21 2p0c h MET 704 N 1.13 0.45 -0.08 1.51 2.86 -1.19 -2.54 114.93 117.07 2p0c h MET 704 Ca 0.36 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2p0c h MET 704 Cb 0.04 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 2p0c h MET 704 CO -0.11 0.96 0.01 0.28 1.06 0.00 0.00 176.91 179.11 2p0c h VAL 705 N 0.32 1.21 -0.44 -2.22 2.07 -0.97 -1.29 116.25 114.93 2p0c h VAL 705 Ca -0.02 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 66.94 2p0c h VAL 705 Cb 1.23 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 32.40 2p0c h VAL 705 CO 0.12 0.18 -0.27 0.44 0.02 0.00 0.00 177.57 178.06 2p0c h ASP 706 N -0.10 -0.91 -0.77 0.57 3.32 -1.26 0.12 116.42 117.39 2p0c h ASP 706 Ca 0.02 0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2p0c h ASP 706 Cb 0.27 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2p0c h ASP 706 CO 0.00 -0.28 0.28 0.40 -1.72 0.00 0.00 179.24 177.91 2p0c h ILE 707 N -0.18 1.26 -0.36 0.35 2.04 -1.37 -0.58 117.51 118.67 2p0c h ILE 707 Ca 0.20 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 2p0c h ILE 707 Cb 0.50 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2p0c h ILE 707 CO -0.54 0.35 -0.22 0.00 0.00 0.00 0.00 178.15 177.74 2p0c h ALA 708 N 1.15 0.95 -0.08 1.87 0.00 -0.73 0.17 119.26 122.58 2p0c h ALA 708 Ca 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2p0c h ALA 708 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2p0c h ALA 708 CO -0.01 0.61 0.02 -0.07 0.00 0.00 0.00 179.25 179.80 2p0c h LEU 709 N 0.61 0.12 -0.99 0.00 3.38 -0.60 -0.15 115.31 117.68 2p0c h LEU 709 Ca 0.09 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.98 2p0c h LEU 709 Cb 0.70 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 2p0c h LEU 709 CO 0.05 0.30 0.61 1.23 0.09 0.00 0.00 178.44 180.73 2p0c h GLY 710 N -0.07 1.65 1.73 0.83 0.00 -0.73 -1.62 103.07 104.85 2p0c h GLY 710 Ca 0.02 -0.40 -0.25 0.00 0.00 0.00 0.00 47.33 46.70 2p0c h GLY 710 CO -0.00 0.11 -1.15 -0.33 0.00 0.00 0.00 176.54 175.17 2p0c h MET 711 N 0.93 0.21 -0.36 4.80 2.86 -0.58 -2.99 114.93 119.80 2p0c h MET 711 Ca 0.51 -0.34 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 2p0c h MET 711 Cb 0.57 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 2p0c h MET 711 CO -0.29 1.15 0.08 1.49 1.06 0.00 0.00 176.91 180.39 2p0c h GLU 712 N 0.06 0.19 -0.12 1.72 4.81 -0.49 0.18 114.58 120.93 2p0c h GLU 712 Ca -0.10 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2p0c h GLU 712 Cb 1.88 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.16 2p0c h GLU 712 CO 0.18 0.13 -0.22 -0.92 -0.73 0.00 0.00 179.01 177.45 2p0c h TYR 713 N 0.20 -0.58 -0.68 0.92 3.20 -1.36 -0.91 116.97 117.77 2p0c h TYR 713 Ca 0.17 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2p0c h TYR 713 Cb 0.19 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2p0c h TYR 713 CO -0.18 -0.30 0.11 -0.07 -1.64 0.00 0.00 178.16 176.07 2p0c h LEU 714 N -0.28 1.08 -0.91 2.82 3.38 -1.32 -2.95 115.31 117.12 2p0c h LEU 714 Ca 0.10 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2p0c h LEU 714 Cb 0.43 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2p0c h LEU 714 CO -0.28 1.07 0.26 -1.28 0.09 0.00 0.00 178.44 178.29 2p0c h SER 715 N 1.05 0.97 0.29 -0.43 0.87 -0.46 -0.51 113.55 115.34 2p0c h SER 715 Ca 0.20 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2p0c h SER 715 Cb 0.45 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2p0c h SER 715 CO 0.01 0.88 -0.08 0.78 -0.53 0.00 0.00 176.83 177.89 2p0c h ASN 716 N 1.02 0.00 -0.66 6.23 2.35 -1.01 -1.39 115.58 122.12 2p0c h ASN 716 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2p0c h ASN 716 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2p0c h ASN 716 CO -0.02 0.08 0.00 0.54 -1.65 0.00 0.00 177.43 176.39 2p0c n ARG 717 N -3.63 2.68 -2.45 0.81 1.74 -0.74 -4.96 116.66 110.12 2p0c n ARG 717 Ca -0.02 -2.59 -0.16 0.00 -0.77 0.00 0.00 57.85 54.31 2p0c n ARG 717 Cb 0.20 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 2p0c n ARG 717 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2p0c n ASN 718 N 1.64 -4.82 -4.53 0.55 3.02 -0.53 -4.95 115.26 105.65 2p0c n ASN 718 Ca 0.24 0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.46 2p0c n ASN 718 Cb 0.63 -4.05 -0.09 0.00 -0.61 0.00 0.00 39.78 35.66 2p0c n ASN 718 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2p0c s PHE 719 N -2.81 3.20 0.24 3.10 2.19 -0.28 -5.01 117.98 118.61 2p0c s PHE 719 Ca 0.01 -0.11 -0.30 0.00 0.33 0.00 0.00 56.93 56.86 2p0c s PHE 719 Cb -0.00 -2.75 -0.09 0.00 -1.31 0.00 0.00 43.02 38.87 2p0c s PHE 719 CO 0.01 -0.51 1.13 -0.51 1.83 0.00 0.00 175.22 177.17 2p0c s LEU 720 N 2.07 4.51 -0.12 6.12 1.02 -1.26 -4.28 118.68 126.74 2p0c s LEU 720 Ca 0.12 2.24 -0.13 0.00 0.02 0.00 0.00 54.13 56.38 2p0c s LEU 720 Cb -0.17 -3.62 -0.11 0.00 0.02 0.00 0.00 46.19 42.31 2p0c s LEU 720 CO 0.12 -0.22 0.32 -0.74 0.02 0.00 0.00 176.35 175.85 2p0c h HIS 721 N 4.37 0.00 0.00 0.29 2.76 -1.96 -3.36 115.15 117.25 2p0c h HIS 721 Ca -0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2p0c h HIS 721 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 2p0c h HIS 721 CO 0.60 0.45 0.00 0.54 -1.30 0.00 0.00 177.93 178.22 2p0c n ARG 722 N -4.70 0.00 -2.71 5.26 1.74 -1.26 -3.25 116.66 111.74 2p0c n ARG 722 Ca -0.05 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.98 2p0c n ARG 722 Cb 0.22 -2.63 0.09 0.00 -1.02 0.00 0.00 32.46 29.12 2p0c n ARG 722 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2p0c n ASP 723 N 0.00 -0.25 -4.66 0.55 2.03 -1.26 -5.08 116.55 107.88 2p0c n ASP 723 Ca 0.00 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 2p0c n ASP 723 Cb 0.00 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2p0c n ASP 723 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2p0c s LEU 724 N -3.53 4.13 0.18 -2.67 2.96 -1.26 -4.77 118.68 113.71 2p0c s LEU 724 Ca 0.21 1.20 -0.20 0.00 -0.22 0.00 0.00 54.13 55.12 2p0c s LEU 724 Cb 0.41 -3.32 0.05 0.00 0.50 0.00 0.00 46.19 43.83 2p0c s LEU 724 CO -0.06 -0.51 0.56 0.00 -1.32 0.00 0.00 176.35 175.02 2p0c s ALA 725 N 2.65 -1.24 0.48 5.97 0.00 -1.26 -4.73 121.76 123.63 2p0c s ALA 725 Ca 0.39 0.08 0.24 0.00 0.00 0.00 0.00 51.96 52.68 2p0c s ALA 725 Cb -0.16 0.84 1.29 0.00 0.00 0.00 0.00 23.12 25.09 2p0c s ALA 725 CO 0.09 -0.79 1.88 0.00 0.00 0.00 0.00 175.76 176.94 2p0c h ALA 726 N 2.12 2.52 0.00 0.00 0.00 -1.94 -0.42 119.26 121.54 2p0c h ALA 726 Ca -0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2p0c h ALA 726 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2p0c h ALA 726 CO 0.37 -0.78 -0.20 0.07 0.00 0.00 0.00 179.25 178.71 2p0c h ARG 727 N 0.19 0.00 -0.56 0.00 0.11 -1.95 -2.69 114.38 109.48 2p0c h ARG 727 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 2p0c h ARG 727 Cb 1.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.48 2p0c h ARG 727 CO -0.09 0.20 0.00 0.09 0.10 0.00 0.00 179.97 180.27 2p0c n ASN 728 N -3.39 5.14 -4.37 0.08 3.02 -0.18 -4.71 115.26 110.85 2p0c n ASN 728 Ca 0.00 -2.76 -0.33 0.00 -0.03 0.00 0.00 54.58 51.46 2p0c n ASN 728 Cb 0.41 -0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 38.81 2p0c n ASN 728 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p0c s MET 730 N 0.63 2.29 -0.22 0.00 -1.94 0.92 -0.27 119.30 120.71 2p0c s MET 730 Ca -0.06 -0.91 -0.13 0.00 -1.71 0.00 0.00 55.69 52.88 2p0c s MET 730 Cb -0.15 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 2p0c s MET 730 CO 0.03 0.54 0.29 -0.51 -0.01 0.00 0.00 175.02 175.36 2p0c s LEU 731 N -1.92 4.13 0.93 -0.03 1.43 -0.49 -0.62 118.68 122.10 2p0c s LEU 731 Ca 0.20 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.49 2p0c s LEU 731 Cb -0.11 -2.33 0.15 0.00 0.03 0.00 0.00 46.19 43.93 2p0c s LEU 731 CO 0.12 -0.03 1.16 -0.13 0.23 0.00 0.00 176.35 177.70 2p0c s ARG 732 N 1.28 0.96 0.55 1.70 0.52 -0.15 -4.23 118.95 119.59 2p0c s ARG 732 Ca 0.14 0.16 0.33 0.00 -0.52 0.00 0.00 55.73 55.84 2p0c s ARG 732 Cb -0.14 -1.83 1.52 0.00 0.52 0.00 0.00 34.95 35.02 2p0c s ARG 732 CO 0.07 -2.29 2.05 -0.44 0.02 0.00 0.00 175.30 174.71 2p0c h ASP 733 N -1.56 0.00 -0.27 0.23 3.32 -1.97 -0.30 116.42 115.87 2p0c h ASP 733 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2p0c h ASP 733 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2p0c h ASP 733 CO 0.57 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2p0c n ASP 734 N -3.24 2.48 -0.21 6.45 5.68 -1.26 -4.95 116.55 121.50 2p0c n ASP 734 Ca -0.01 -1.85 -0.03 0.00 -0.50 0.00 0.00 54.79 52.40 2p0c n ASP 734 Cb 0.27 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 2p0c n ASP 734 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2p0c n MET 735 N 0.86 -0.54 -2.48 0.11 2.81 -0.12 -5.03 117.12 112.73 2p0c n MET 735 Ca 0.17 0.40 -0.35 0.00 -1.81 0.00 0.00 57.70 56.11 2p0c n MET 735 Cb 0.45 -3.99 -0.03 0.00 -0.71 0.00 0.00 33.22 28.94 2p0c n MET 735 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2p0c s THR 736 N -1.93 3.64 0.01 2.03 -4.23 -1.26 -4.79 115.64 109.10 2p0c s THR 736 Ca 0.00 1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 61.48 2p0c s THR 736 Cb 0.00 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 2p0c s THR 736 CO 0.00 -0.18 0.32 -0.69 -0.54 0.00 0.00 174.62 173.54 2p0c s VAL 737 N -1.87 5.20 0.02 2.29 1.01 -1.26 -0.98 120.40 124.82 2p0c s VAL 737 Ca 0.67 0.44 0.05 0.00 0.00 0.00 0.00 61.98 63.13 2p0c s VAL 737 Cb -0.19 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2p0c s VAL 737 CO 0.23 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.63 2p0c s VAL 739 N -0.67 3.52 0.35 0.00 1.01 0.06 -0.05 120.40 124.61 2p0c s VAL 739 Ca 0.03 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.40 2p0c s VAL 739 Cb -0.07 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2p0c s VAL 739 CO 0.01 0.23 0.23 0.00 0.00 0.00 0.00 175.10 175.57 2p0c s ALA 740 N -0.29 2.13 -2.05 5.51 0.00 0.02 -1.21 121.76 125.89 2p0c s ALA 740 Ca 0.51 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2p0c s ALA 740 Cb -0.33 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2p0c s ALA 740 CO 0.38 -0.57 0.00 -0.25 0.00 0.00 0.00 175.76 175.32 2p0c n ASP 741 N -1.43 -5.61 -4.90 0.00 10.43 -1.26 -4.77 116.55 109.00 2p0c n ASP 741 Ca 0.04 0.33 -0.29 0.00 2.57 0.00 0.00 54.79 57.44 2p0c n ASP 741 Cb 0.63 -4.83 0.06 0.00 1.84 0.00 0.00 41.12 38.83 2p0c n ASP 741 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2p0c s PHE 742 N -2.85 3.11 0.00 1.24 -0.12 -1.26 -4.62 117.98 113.47 2p0c s PHE 742 Ca 0.00 0.79 0.00 0.00 -0.05 0.00 0.00 56.93 57.67 2p0c s PHE 742 Cb 0.00 -3.21 0.00 0.00 -0.63 0.00 0.00 43.02 39.18 2p0c s PHE 742 CO 0.00 -1.40 0.00 0.41 -0.05 0.00 0.00 175.22 174.18 2p0c n GLY 743 N -3.06 1.82 7.00 1.99 0.00 -1.20 -5.08 105.19 106.66 2p0c n GLY 743 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2p0c n GLY 743 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2p0c n LEU 744 N 0.00 0.00 0.00 0.99 0.00 -1.26 -5.11 117.00 111.62 2p0c n LEU 744 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2p0c n LEU 744 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2p0c n LEU 744 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 177.39 176.58 2p0c n PRO 763 N 14.00 0.00 -0.23 1.96 -0.04 -1.26 -4.91 135.00 144.51 2p0c n PRO 763 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2p0c n PRO 763 Cb 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 33.68 2p0c n PRO 763 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2p0c n VAL 764 N 0.00 -0.29 1.68 0.52 0.31 -1.26 -1.39 118.33 117.91 2p0c n VAL 764 Ca 0.00 1.49 0.15 0.00 -0.01 0.00 0.00 64.34 65.97 2p0c n VAL 764 Cb 0.00 -2.20 0.82 0.00 -0.91 0.00 0.00 33.84 31.55 2p0c n VAL 764 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2p0c n LYS 765 N -4.88 0.75 -0.19 5.55 5.02 -1.26 -1.94 118.16 121.22 2p0c n LYS 765 Ca 0.17 -0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 2p0c n LYS 765 Cb 0.56 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.25 2p0c n LYS 765 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2p0c n TRP 766 N -1.07 0.50 -3.86 2.13 8.01 -0.48 -4.96 117.44 117.70 2p0c n TRP 766 Ca 0.19 -0.39 -0.36 0.00 -1.31 0.00 0.00 57.50 55.63 2p0c n TRP 766 Cb 0.19 -0.01 -0.10 0.00 -2.01 0.00 0.00 31.31 29.37 2p0c n TRP 766 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2p0c s ILE 767 N -1.06 4.80 0.74 -0.99 1.01 -0.82 -4.11 121.20 120.77 2p0c s ILE 767 Ca 0.29 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.76 2p0c s ILE 767 Cb 0.16 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.44 2p0c s ILE 767 CO 0.21 0.40 0.99 0.00 0.00 0.00 0.00 174.94 176.54 2p0c n ALA 768 N 4.12 -0.24 -0.00 9.38 0.00 -1.26 -4.74 120.51 127.77 2p0c n ALA 768 Ca -0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 2p0c n ALA 768 Cb 0.52 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 2p0c n ALA 768 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2p0c h ILE 769 N -0.36 0.81 0.00 0.00 -0.00 -1.95 -1.41 117.51 114.60 2p0c h ILE 769 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.39 2p0c h ILE 769 Cb 1.33 0.81 -0.00 0.00 -0.00 0.00 0.00 36.82 38.96 2p0c h ILE 769 CO 0.47 0.00 -0.01 1.05 -0.00 0.00 0.00 178.15 179.65 2p0c h GLU 770 N -0.05 0.00 0.00 0.16 9.09 -1.91 0.22 114.58 122.09 2p0c h GLU 770 Ca 0.06 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.31 2p0c h GLU 770 Cb 0.15 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.22 2p0c h GLU 770 CO -0.14 0.01 -0.91 0.77 0.05 0.00 0.00 179.01 178.79 2p0c h SER 771 N 0.00 0.00 -0.14 3.06 0.02 -1.54 -1.05 113.55 113.89 2p0c h SER 771 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 2p0c h SER 771 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2p0c h SER 771 CO 0.00 0.72 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.68 2p0c h LEU 772 N 0.00 0.82 -0.14 5.07 3.38 -0.13 -3.36 115.31 120.96 2p0c h LEU 772 Ca -0.05 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 2p0c h LEU 772 Cb 1.60 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2p0c h LEU 772 CO 0.09 1.32 0.03 0.00 0.09 0.00 0.00 178.44 179.96 2p0c h ALA 773 N 0.53 0.18 -3.71 1.53 0.00 -0.61 -3.47 119.26 113.71 2p0c h ALA 773 Ca -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2p0c h ALA 773 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2p0c h ALA 773 CO 0.14 -0.17 -0.06 -0.25 0.00 0.00 0.00 179.25 178.91 2p0c n ASP 774 N -4.82 1.13 0.16 0.00 8.00 -0.40 -5.04 116.55 115.57 2p0c n ASP 774 Ca -0.05 -1.26 0.13 0.00 0.71 0.00 0.00 54.79 54.32 2p0c n ASP 774 Cb 0.17 0.11 0.41 0.00 -0.02 0.00 0.00 41.12 41.79 2p0c n ASP 774 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2p0c h ARG 775 N 0.00 0.00 -6.38 -1.24 0.11 -1.81 -3.40 114.38 101.66 2p0c h ARG 775 Ca -0.04 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.40 2p0c h ARG 775 Cb 0.15 0.00 0.07 0.00 1.11 0.00 0.00 29.97 31.29 2p0c h ARG 775 CO 0.06 0.00 0.50 0.28 0.10 0.00 0.00 179.97 180.91 2p0c n VAL 776 N -2.54 0.38 -3.56 0.08 0.31 -1.26 -4.98 118.33 106.74 2p0c n VAL 776 Ca 0.04 -0.09 -0.17 0.00 -0.01 0.00 0.00 64.34 64.10 2p0c n VAL 776 Cb 0.39 -1.07 -0.14 0.00 -0.91 0.00 0.00 33.84 32.11 2p0c n VAL 776 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2p0c s TYR 777 N 0.31 -0.27 0.22 3.52 5.04 -1.26 -3.99 117.35 120.92 2p0c s TYR 777 Ca 0.78 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 2p0c s TYR 777 Cb -0.82 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.20 2p0c s TYR 777 CO 0.47 -0.49 0.04 0.25 -1.34 0.00 0.00 175.55 174.48 2p0c n THR 778 N 5.33 0.00 0.27 4.34 -2.24 -1.26 -5.00 114.28 115.72 2p0c n THR 778 Ca -0.05 -1.01 0.14 0.00 -2.27 0.00 0.00 64.05 60.86 2p0c n THR 778 Cb 0.50 0.10 0.77 0.00 -2.10 0.00 0.00 70.33 69.59 2p0c n THR 778 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p0c h SER 779 N 0.47 0.00 1.16 3.42 4.64 -1.99 -2.49 113.55 118.76 2p0c h SER 779 Ca -0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2p0c h SER 779 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2p0c h SER 779 CO 0.29 0.10 -0.12 0.11 -0.87 0.00 0.00 176.83 176.33 2p0c h LYS 780 N 0.00 0.00 0.02 4.77 1.79 -1.94 -1.08 116.57 120.13 2p0c h LYS 780 Ca -0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 2p0c h LYS 780 Cb 0.29 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.96 2p0c h LYS 780 CO 0.01 0.12 -1.06 0.77 -1.08 0.00 0.00 179.45 178.22 2p0c h SER 781 N 0.00 0.82 -0.89 0.86 0.02 -1.84 -2.16 113.55 110.37 2p0c h SER 781 Ca -0.00 -0.68 0.04 0.00 -0.84 0.00 0.00 61.79 60.32 2p0c h SER 781 Cb 0.74 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2p0c h SER 781 CO 0.02 1.48 0.57 0.44 -1.14 0.00 0.00 176.83 178.19 2p0c h ASP 782 N 0.34 0.93 -0.61 3.07 3.32 -1.39 -1.59 116.42 120.49 2p0c h ASP 782 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2p0c h ASP 782 Cb 1.71 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 41.03 2p0c h ASP 782 CO 0.20 0.62 0.38 0.58 -1.72 0.00 0.00 179.24 179.30 2p0c h VAL 783 N 1.08 1.17 -0.39 -1.35 2.07 -1.11 0.15 116.25 117.86 2p0c h VAL 783 Ca 0.37 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2p0c h VAL 783 Cb 0.06 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 2p0c h VAL 783 CO -0.14 0.17 0.00 -0.25 0.02 0.00 0.00 177.57 177.38 2p0c h TRP 784 N 0.82 -0.01 -0.49 1.57 2.91 -1.00 -1.75 115.95 118.00 2p0c h TRP 784 Ca 0.22 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 2p0c h TRP 784 Cb -0.05 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.64 2p0c h TRP 784 CO -0.03 -0.07 -0.01 0.00 -1.03 0.00 0.00 178.44 177.31 2p0c h ALA 785 N 1.34 1.08 -0.75 2.65 0.00 -0.53 -2.15 119.26 120.89 2p0c h ALA 785 Ca 0.19 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2p0c h ALA 785 Cb 0.27 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2p0c h ALA 785 CO -0.31 0.58 0.47 0.35 0.00 0.00 0.00 179.25 180.33 2p0c h PHE 786 N 0.76 0.87 -0.49 0.00 3.57 -0.44 -1.24 116.94 119.97 2p0c h PHE 786 Ca 0.15 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2p0c h PHE 786 Cb 0.47 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2p0c h PHE 786 CO 0.03 0.48 0.14 0.78 -2.23 0.00 0.00 178.31 177.51 2p0c h GLY 787 N 0.89 0.63 0.99 2.40 0.00 -0.67 0.14 103.07 107.45 2p0c h GLY 787 Ca 0.31 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 2p0c h GLY 787 CO -0.13 -0.02 -0.01 -2.08 0.00 0.00 0.00 176.54 174.29 2p0c h VAL 788 N 0.30 1.26 -0.75 4.60 2.07 -1.24 -2.18 116.25 120.31 2p0c h VAL 788 Ca 0.24 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.76 2p0c h VAL 788 Cb 0.29 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2p0c h VAL 788 CO -0.28 0.37 0.43 0.74 0.02 0.00 0.00 177.57 178.85 2p0c h THR 789 N 0.65 0.96 -0.63 2.57 2.02 -0.67 0.82 112.91 118.63 2p0c h THR 789 Ca 0.13 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.08 2p0c h THR 789 Cb 0.52 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2p0c h THR 789 CO 0.03 0.14 0.42 0.24 0.37 0.00 0.00 175.52 176.71 2p0c h MET 790 N 0.76 0.73 -0.20 6.66 2.86 -0.20 -0.77 114.93 124.78 2p0c h MET 790 Ca 0.34 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.73 2p0c h MET 790 Cb 0.23 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2p0c h MET 790 CO -0.20 0.48 -0.67 2.35 1.06 0.00 0.00 176.91 179.93 2p0c h TRP 791 N 0.75 1.03 -0.59 -0.22 7.01 -0.62 0.63 115.95 123.93 2p0c h TRP 791 Ca 0.25 -0.41 0.03 0.00 2.11 0.00 0.00 58.89 60.87 2p0c h TRP 791 Cb 0.07 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 2p0c h TRP 791 CO -0.00 1.24 0.35 0.93 -2.79 0.00 0.00 178.44 178.17 2p0c h GLU 792 N 0.57 0.68 0.08 2.65 5.08 -0.14 -0.24 114.58 123.26 2p0c h GLU 792 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2p0c h GLU 792 Cb 1.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2p0c h GLU 792 CO 0.14 0.45 -0.04 0.82 -1.00 0.00 0.00 179.01 179.38 2p0c h ILE 793 N 0.70 1.10 -0.81 3.13 2.04 -1.08 0.22 117.51 122.81 2p0c h ILE 793 Ca 0.24 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2p0c h ILE 793 Cb 0.04 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2p0c h ILE 793 CO -0.11 0.16 0.53 0.00 0.00 0.00 0.00 178.15 178.73 2p0c h ALA 794 N 0.49 1.62 -0.03 1.87 0.00 -0.65 -1.04 119.26 121.52 2p0c h ALA 794 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2p0c h ALA 794 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2p0c h ALA 794 CO 0.02 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.78 2p0c n THR 795 N -4.48 0.03 -3.72 0.00 -2.24 -0.12 -4.94 114.28 98.80 2p0c n THR 795 Ca 0.12 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 2p0c n THR 795 Cb 0.21 0.37 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 2p0c n THR 795 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2p0c n ARG 796 N 0.06 -6.77 0.00 -0.78 1.74 -0.39 -3.97 116.66 106.55 2p0c n ARG 796 Ca 0.19 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 2p0c n ARG 796 Cb 0.32 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 26.07 2p0c n ARG 796 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p0c n GLY 797 N -1.81 0.94 3.72 -0.13 0.00 0.74 -3.78 105.19 104.87 2p0c n GLY 797 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2p0c n GLY 797 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2p0c n MET 798 N -1.04 1.83 -2.35 1.61 2.81 -1.25 -4.97 117.12 113.76 2p0c n MET 798 Ca 0.00 0.66 -0.41 0.00 -1.81 0.00 0.00 57.70 56.14 2p0c n MET 798 Cb 0.00 -2.48 -0.03 0.00 -0.71 0.00 0.00 33.22 29.99 2p0c n MET 798 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2p0c s THR 799 N -1.25 3.64 0.46 2.03 2.01 -1.26 -4.74 115.64 116.52 2p0c s THR 799 Ca 0.66 1.30 -0.24 0.00 0.31 0.00 0.00 61.69 63.72 2p0c s THR 799 Cb -0.46 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 2p0c s THR 799 CO 0.54 0.17 1.16 -2.65 -0.69 0.00 0.00 174.62 173.14 2p0c n PRO 800 N 3.04 1.59 -3.25 4.92 -0.02 -1.26 -3.96 135.00 136.07 2p0c n PRO 800 Ca 0.06 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2p0c n PRO 800 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2p0c n PRO 800 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2p0c n TYR 801 N -0.57 -2.73 -1.74 6.00 4.01 -1.26 -4.92 117.16 115.95 2p0c n TYR 801 Ca 0.09 1.05 -0.42 0.00 -0.16 0.00 0.00 57.90 58.46 2p0c n TYR 801 Cb 0.41 -3.79 -0.01 0.00 -0.31 0.00 0.00 39.34 35.64 2p0c n TYR 801 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2p0c n PRO 802 N -2.05 2.55 -0.09 -0.72 -0.04 -1.25 -2.64 135.00 130.76 2p0c n PRO 802 Ca -0.08 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2p0c n PRO 802 Cb 0.55 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2p0c n PRO 802 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2p0c n GLY 803 N 1.43 1.55 3.42 0.55 0.00 -1.26 -5.02 105.19 105.87 2p0c n GLY 803 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2p0c n GLY 803 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p0c s VAL 804 N -2.66 3.80 0.55 1.61 1.01 -1.08 -5.11 120.40 118.53 2p0c s VAL 804 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 2p0c s VAL 804 Cb 0.00 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 2p0c s VAL 804 CO 0.00 0.44 0.99 -1.10 0.00 0.00 0.00 175.10 175.43 2p0c s GLN 805 N 1.00 3.79 0.30 2.72 -0.21 -1.26 -4.94 119.66 121.06 2p0c s GLN 805 Ca 0.01 0.83 0.02 0.00 0.02 0.00 0.00 55.36 56.25 2p0c s GLN 805 Cb -0.14 -2.13 0.58 0.00 1.00 0.00 0.00 33.01 32.31 2p0c s GLN 805 CO 0.01 -0.38 1.88 -0.91 -2.12 0.00 0.00 175.29 173.77 2p0c h ASN 806 N 0.41 0.88 1.16 5.90 2.35 -1.99 -2.22 115.58 122.08 2p0c h ASN 806 Ca -0.46 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2p0c h ASN 806 Cb 1.19 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2p0c h ASN 806 CO 0.62 0.52 0.00 1.12 -1.65 0.00 0.00 177.43 178.04 2p0c h HIS 807 N 0.97 0.00 -0.35 1.19 2.07 -2.02 -2.98 115.15 114.03 2p0c h HIS 807 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 2p0c h HIS 807 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 2p0c h HIS 807 CO -0.00 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 174.01 2p0c n GLU 808 N -2.36 2.49 -0.18 5.12 0.28 -0.84 -4.62 120.64 120.53 2p0c n GLU 808 Ca 0.04 -2.23 -0.09 0.00 -0.16 0.00 0.00 57.16 54.71 2p0c n GLU 808 Cb 0.34 -1.51 0.01 0.00 1.43 0.00 0.00 31.44 31.71 2p0c n GLU 808 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2p0c h MET 809 N 4.49 0.86 -0.18 3.44 2.86 -1.45 -1.03 114.93 123.92 2p0c h MET 809 Ca 0.00 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2p0c h MET 809 Cb 0.98 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2p0c h MET 809 CO 0.00 0.85 0.10 -0.92 1.06 0.00 0.00 176.91 178.00 2p0c h TYR 810 N 0.74 0.25 -0.75 -0.22 -0.00 -1.82 -1.24 116.97 113.93 2p0c h TYR 810 Ca 0.15 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.83 2p0c h TYR 810 Cb 0.42 -0.08 -0.03 0.00 -0.00 0.00 0.00 36.73 37.04 2p0c h TYR 810 CO 0.03 0.24 0.27 -0.44 -0.00 0.00 0.00 178.16 178.26 2p0c h ASP 811 N 0.19 1.05 -0.29 -2.11 3.32 -1.87 0.14 116.42 116.85 2p0c h ASP 811 Ca 0.06 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.96 2p0c h ASP 811 Cb 0.07 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2p0c h ASP 811 CO -0.01 0.96 0.09 0.22 -1.72 0.00 0.00 179.24 178.78 2p0c h TYR 812 N 1.09 0.17 -0.13 4.55 3.20 -1.07 -1.95 116.97 122.83 2p0c h TYR 812 Ca 0.25 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.95 2p0c h TYR 812 Cb 0.25 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2p0c h TYR 812 CO 0.02 0.07 -0.67 -0.07 -1.64 0.00 0.00 178.16 175.88 2p0c h LEU 813 N 0.22 0.59 -1.90 2.82 3.38 -1.04 -2.99 115.31 116.39 2p0c h LEU 813 Ca 0.13 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2p0c h LEU 813 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2p0c h LEU 813 CO -0.14 1.09 -0.08 0.25 0.09 0.00 0.00 178.44 179.66 2p0c h LEU 814 N 0.36 0.00 -0.41 1.67 5.85 -0.51 0.17 115.31 122.44 2p0c h LEU 814 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2p0c h LEU 814 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2p0c h LEU 814 CO 0.12 0.08 0.00 1.41 -0.34 0.00 0.00 178.44 179.71 2p0c n HIS 815 N -4.33 0.09 -0.53 1.25 8.25 -0.75 -4.91 115.22 114.30 2p0c n HIS 815 Ca -0.03 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2p0c n HIS 815 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2p0c n HIS 815 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p0c n GLY 816 N 0.86 0.75 3.79 -1.41 0.00 0.05 -5.06 105.19 104.17 2p0c n GLY 816 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2p0c n GLY 816 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p0c s HIS 817 N -2.58 3.56 0.22 1.61 3.76 -1.14 -5.03 115.29 115.70 2p0c s HIS 817 Ca 0.00 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 2p0c s HIS 817 Cb 0.00 -2.91 -0.05 0.00 1.11 0.00 0.00 32.58 30.74 2p0c s HIS 817 CO 0.00 0.09 0.11 1.03 -0.85 0.00 0.00 174.74 175.12 2p0c s ARG 818 N -2.41 1.28 0.15 1.40 1.81 -1.26 -4.36 118.95 115.55 2p0c s ARG 818 Ca 0.54 -1.68 -0.34 0.00 -1.72 0.00 0.00 55.73 52.53 2p0c s ARG 818 Cb -0.16 0.02 -0.16 0.00 -0.45 0.00 0.00 34.95 34.20 2p0c s ARG 818 CO 0.20 -0.33 1.24 1.28 -0.68 0.00 0.00 175.30 177.01 2p0c n LEU 819 N -0.35 1.68 -4.85 2.53 4.77 -1.26 -4.94 117.00 114.58 2p0c n LEU 819 Ca 0.01 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.80 2p0c n LEU 819 Cb 0.66 -1.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 2p0c n LEU 819 CO 0.35 -1.16 0.65 -0.54 -1.33 0.00 0.00 177.39 175.36 2p0c s LYS 820 N -0.08 3.94 0.08 3.23 1.02 -1.26 -4.99 119.74 121.68 2p0c s LYS 820 Ca 0.77 0.90 -0.31 0.00 0.02 0.00 0.00 55.97 57.34 2p0c s LYS 820 Cb -0.87 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 2p0c s LYS 820 CO 0.50 -0.23 1.67 -1.14 -0.92 0.00 0.00 175.35 175.24 2p0c s GLN 821 N -4.00 4.19 0.83 1.68 0.74 -1.26 -4.99 119.66 116.86 2p0c s GLN 821 Ca 0.58 2.37 -0.13 0.00 0.05 0.00 0.00 55.36 58.23 2p0c s GLN 821 Cb -0.10 -3.58 0.08 0.00 1.10 0.00 0.00 33.01 30.51 2p0c s GLN 821 CO 0.30 -0.74 1.05 -2.30 -0.55 0.00 0.00 175.29 173.05 2p0c n PRO 822 N 5.55 0.04 0.30 1.67 -0.02 -1.26 -4.94 135.00 136.33 2p0c n PRO 822 Ca 0.16 0.09 -0.17 0.00 -2.02 0.00 0.00 63.50 61.55 2p0c n PRO 822 Cb 0.40 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 2p0c n PRO 822 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2p0c h GLU 823 N -1.09 -0.89 -0.63 -0.52 4.57 -1.95 -3.10 114.58 110.98 2p0c h GLU 823 Ca -0.45 0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 57.66 2p0c h GLU 823 Cb 1.30 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 30.02 2p0c h GLU 823 CO 0.44 -0.59 0.14 -3.47 -1.18 0.00 0.00 179.01 174.35 2p0c n ASP 824 N -5.53 5.00 -4.78 1.04 -0.08 -1.26 -4.96 116.55 105.99 2p0c n ASP 824 Ca -0.12 -3.13 -0.39 0.00 -1.51 0.00 0.00 54.79 49.64 2p0c n ASP 824 Cb 0.42 -0.71 -0.06 0.00 2.34 0.00 0.00 41.12 43.12 2p0c n ASP 824 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2p0c n LEU 826 N 2.13 3.55 -0.16 0.00 4.77 -1.26 -4.88 117.00 121.15 2p0c n LEU 826 Ca -0.07 1.20 0.08 0.00 -0.03 0.00 0.00 56.01 57.19 2p0c n LEU 826 Cb 0.50 -1.48 0.39 0.00 -2.33 0.00 0.00 43.42 40.50 2p0c n LEU 826 CO 0.44 -0.47 1.21 0.44 -1.33 0.00 0.00 177.39 177.68 2p0c h ASP 827 N 2.66 0.59 -0.81 -1.43 5.19 -1.98 -1.83 116.42 118.80 2p0c h ASP 827 Ca -0.46 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.01 2p0c h ASP 827 Cb 1.28 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.61 2p0c h ASP 827 CO 0.63 0.37 0.50 -0.33 -3.12 0.00 0.00 179.24 177.29 2p0c h GLU 828 N 0.67 0.88 -0.27 3.56 3.07 -1.99 0.49 114.58 120.98 2p0c h GLU 828 Ca 0.30 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.00 2p0c h GLU 828 Cb 0.33 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2p0c h GLU 828 CO -0.10 0.58 -0.26 1.25 -1.40 0.00 0.00 179.01 179.09 2p0c h LEU 829 N 0.91 0.69 -0.70 1.33 5.85 -1.72 -3.05 115.31 118.62 2p0c h LEU 829 Ca 0.36 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2p0c h LEU 829 Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2p0c h LEU 829 CO -0.17 1.01 0.30 0.22 -0.34 0.00 0.00 178.44 179.46 2p0c h TYR 830 N 0.37 1.04 -0.88 1.25 3.20 -1.12 -1.91 116.97 118.92 2p0c h TYR 830 Ca 0.04 -0.07 0.20 0.00 3.14 0.00 0.00 58.73 62.05 2p0c h TYR 830 Cb 0.82 -0.31 -0.12 0.00 1.54 0.00 0.00 36.73 38.65 2p0c h TYR 830 CO 0.07 0.79 0.38 0.93 -1.64 0.00 0.00 178.16 178.70 2p0c h GLU 831 N 0.98 0.42 0.25 1.82 5.08 -0.92 0.13 114.58 122.33 2p0c h GLU 831 Ca 0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2p0c h GLU 831 Cb 0.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2p0c h GLU 831 CO -0.02 0.28 -0.12 0.82 -1.00 0.00 0.00 179.01 178.96 2p0c h ILE 832 N 0.43 0.78 -0.53 3.13 2.04 -1.26 -2.32 117.51 119.78 2p0c h ILE 832 Ca 0.53 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.78 2p0c h ILE 832 Cb 0.96 1.16 -0.11 0.00 -0.74 0.00 0.00 36.82 38.10 2p0c h ILE 832 CO -0.50 0.14 -0.24 0.24 0.00 0.00 0.00 178.15 177.80 2p0c h MET 833 N -0.74 -0.11 -0.60 2.37 2.86 -1.08 -2.86 114.93 114.77 2p0c h MET 833 Ca -0.03 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2p0c h MET 833 Cb 0.49 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2p0c h MET 833 CO 0.06 -0.07 0.40 -0.92 1.06 0.00 0.00 176.91 177.43 2p0c h TYR 834 N -0.11 0.76 -0.06 -0.22 5.03 -0.75 -1.19 116.97 120.42 2p0c h TYR 834 Ca 0.24 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.58 2p0c h TYR 834 Cb 0.49 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 2p0c h TYR 834 CO -0.53 0.48 0.32 0.66 -1.32 0.00 0.00 178.16 177.76 2p0c h SER 835 N 0.82 0.00 1.26 -2.11 4.64 -1.17 0.78 113.55 117.76 2p0c h SER 835 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2p0c h SER 835 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2p0c h SER 835 CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 2p0c n TRP 837 N -2.33 0.51 -1.75 0.00 8.01 0.27 -3.36 117.44 118.79 2p0c n TRP 837 Ca 0.04 -0.78 -0.42 0.00 -1.31 0.00 0.00 57.50 55.04 2p0c n TRP 837 Cb 0.37 -0.18 -0.00 0.00 -2.01 0.00 0.00 31.31 29.48 2p0c n TRP 837 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 2p0c n ARG 838 N -0.51 2.54 0.03 -0.99 1.74 -1.24 -4.91 116.66 113.32 2p0c n ARG 838 Ca 0.15 0.89 -0.11 0.00 -0.77 0.00 0.00 57.85 58.02 2p0c n ARG 838 Cb 0.66 -2.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.45 2p0c n ARG 838 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2p0c h THR 839 N 2.90 0.83 -3.08 0.55 2.02 -1.95 -3.37 112.91 110.80 2p0c h THR 839 Ca -0.49 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.12 2p0c h THR 839 Cb 1.25 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 2p0c h THR 839 CO 0.65 0.00 0.88 -0.62 0.37 0.00 0.00 175.52 176.81 2p0c s ASP 840 N -5.11 6.91 0.40 4.18 -1.08 -1.26 -4.81 116.67 115.90 2p0c s ASP 840 Ca -0.14 1.39 0.17 0.00 -0.52 0.00 0.00 52.55 53.45 2p0c s ASP 840 Cb 0.08 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 40.06 2p0c s ASP 840 CO 0.67 -0.84 1.83 -0.65 0.52 0.00 0.00 175.17 176.70 2p0c h PRO 841 N 8.26 0.42 0.00 4.34 0.11 -1.96 -1.18 132.00 142.00 2p0c h PRO 841 Ca -0.23 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2p0c h PRO 841 Cb 1.08 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2p0c h PRO 841 CO 1.00 0.28 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.98 2p0c h LEU 842 N 0.44 0.00 0.00 2.35 3.38 -1.92 -2.27 115.31 117.29 2p0c h LEU 842 Ca 0.51 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.39 2p0c h LEU 842 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2p0c h LEU 842 CO -0.22 0.02 -0.46 0.44 0.09 0.00 0.00 178.44 178.31 2p0c h ASP 843 N 0.00 0.00 -3.91 -0.43 3.45 -1.56 -3.45 116.42 110.51 2p0c h ASP 843 Ca -0.00 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.94 2p0c h ASP 843 Cb 0.27 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 39.11 2p0c h ASP 843 CO 0.00 0.40 0.58 -0.13 -1.57 0.00 0.00 179.24 178.53 2p0c s ARG 844 N -3.01 4.16 0.84 3.56 0.52 -0.86 -4.99 118.95 119.17 2p0c s ARG 844 Ca 0.04 2.07 -0.12 0.00 -0.52 0.00 0.00 55.73 57.20 2p0c s ARG 844 Cb 0.07 -2.87 0.10 0.00 0.52 0.00 0.00 34.95 32.77 2p0c s ARG 844 CO 0.74 -0.30 1.11 -1.25 0.02 0.00 0.00 175.30 175.62 2p0c s PRO 845 N -2.05 1.73 0.78 3.54 0.04 -1.26 -5.05 135.00 132.72 2p0c s PRO 845 Ca 0.53 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 2p0c s PRO 845 Cb -0.36 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2p0c s PRO 845 CO 0.47 -1.83 1.12 0.95 0.04 0.00 0.00 177.00 177.75 2p0c s THR 846 N -3.22 2.91 0.42 1.26 -4.23 -1.26 -4.91 115.64 106.62 2p0c s THR 846 Ca 0.62 0.30 0.12 0.00 -1.18 0.00 0.00 61.69 61.55 2p0c s THR 846 Cb -0.14 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.68 2p0c s THR 846 CO 0.54 -0.39 1.96 -0.26 -0.54 0.00 0.00 174.62 175.93 2p0c h PHE 847 N -0.96 0.12 -0.31 3.99 0.04 -1.93 -1.70 116.94 116.19 2p0c h PHE 847 Ca -0.46 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.22 2p0c h PHE 847 Cb 1.28 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.38 2p0c h PHE 847 CO 0.43 0.26 -0.13 0.66 -0.60 0.00 0.00 178.31 178.94 2p0c h SER 848 N 0.11 0.52 0.16 2.17 4.64 -1.92 0.19 113.55 119.42 2p0c h SER 848 Ca 0.02 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2p0c h SER 848 Cb 0.33 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2p0c h SER 848 CO 0.02 0.67 -0.08 0.58 -0.87 0.00 0.00 176.83 177.16 2p0c h VAL 849 N 0.49 0.95 -0.45 0.95 2.07 -1.84 -2.96 116.25 115.45 2p0c h VAL 849 Ca 0.09 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.74 2p0c h VAL 849 Cb 0.51 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2p0c h VAL 849 CO 0.03 0.21 0.01 -0.07 0.02 0.00 0.00 177.57 177.77 2p0c h LEU 850 N -0.72 -0.17 -0.44 2.57 3.38 -1.23 -0.71 115.31 118.00 2p0c h LEU 850 Ca -0.02 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2p0c h LEU 850 Cb 0.51 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2p0c h LEU 850 CO 0.04 -0.05 0.04 -0.09 0.09 0.00 0.00 178.44 178.47 2p0c h ARG 851 N 0.13 0.15 -0.35 1.13 1.12 -0.70 -0.88 114.38 114.99 2p0c h ARG 851 Ca 0.23 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.95 2p0c h ARG 851 Cb 0.33 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 2p0c h ARG 851 CO -0.37 0.10 -0.35 1.25 -3.11 0.00 0.00 179.97 177.50 2p0c h LEU 852 N 0.16 0.82 -1.06 3.80 5.85 -1.25 -1.88 115.31 121.76 2p0c h LEU 852 Ca 0.22 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2p0c h LEU 852 Cb 0.30 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2p0c h LEU 852 CO -0.33 1.09 0.63 1.56 -0.34 0.00 0.00 178.44 181.06 2p0c h GLN 853 N 0.65 1.19 0.03 1.25 4.20 -0.54 -1.44 115.11 120.45 2p0c h GLN 853 Ca 0.06 -0.07 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 2p0c h GLN 853 Cb 0.89 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2p0c h GLN 853 CO 0.08 0.78 -1.01 -0.07 -0.67 0.00 0.00 178.83 177.95 2p0c h LEU 854 N 1.22 0.51 -0.34 1.46 3.38 -1.06 -1.77 115.31 118.71 2p0c h LEU 854 Ca 0.38 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2p0c h LEU 854 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2p0c h LEU 854 CO -0.11 1.25 0.17 -0.33 0.09 0.00 0.00 178.44 179.51 2p0c h GLU 855 N 0.20 0.48 -0.17 1.13 5.08 -1.14 -0.80 114.58 119.35 2p0c h GLU 855 Ca -0.09 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 2p0c h GLU 855 Cb 1.66 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2p0c h GLU 855 CO 0.17 0.43 -0.52 0.87 -1.00 0.00 0.00 179.01 178.97 2p0c h LYS 856 N 0.41 0.48 0.15 2.33 6.56 -1.31 -0.08 116.57 125.11 2p0c h LYS 856 Ca 0.12 -0.29 -0.01 0.00 -1.06 0.00 0.00 60.65 59.41 2p0c h LYS 856 Cb 0.11 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 2p0c h LYS 856 CO -0.02 0.88 -0.07 1.25 -2.06 0.00 0.00 179.45 179.43 2p0c h LEU 857 N 0.37 -0.17 -1.14 2.94 5.85 -1.24 -2.02 115.31 119.90 2p0c h LEU 857 Ca 0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2p0c h LEU 857 Cb 1.03 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2p0c h LEU 857 CO 0.09 -0.08 0.59 0.25 -0.34 0.00 0.00 178.44 178.95 2p0c h LEU 858 N -0.25 0.96 -1.22 2.25 5.85 -1.04 -2.09 115.31 119.77 2p0c h LEU 858 Ca -0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2p0c h LEU 858 Cb 0.20 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2p0c h LEU 858 CO 0.03 0.65 0.31 -0.08 -0.34 0.00 0.00 178.44 179.02 2p0c h GLU 859 N 1.10 0.85 0.00 1.25 4.81 -0.87 -2.70 114.58 119.03 2p0c h GLU 859 Ca 0.36 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2p0c h GLU 859 Cb 0.06 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2p0c h GLU 859 CO -0.12 0.64 0.00 -1.13 -0.73 0.00 0.00 179.01 177.68 2p0c n SER 860 N -4.37 0.00 -0.19 1.04 3.41 -0.77 -5.08 113.62 107.66 2p0c n SER 860 Ca 0.06 0.19 0.15 0.00 -0.26 0.00 0.00 58.87 59.01 2p0c n SER 860 Cb 0.11 -0.39 0.78 0.00 -0.26 0.00 0.00 64.21 64.46 2p0c n SER 860 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06