#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkg n VAL 569 N 0.00 0.00 -3.99 3.53 0.24 -1.26 -5.32 118.33 111.53 1pkg n VAL 569 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1pkg n VAL 569 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 1pkg n VAL 569 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1pkg s ILE 571 N 0.00 1.51 -0.35 1.34 1.01 -1.26 -5.14 121.20 118.31 1pkg s ILE 571 Ca 0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1pkg s ILE 571 Cb 0.00 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1pkg s ILE 571 CO 0.00 0.30 0.94 -0.62 0.00 0.00 0.00 174.94 175.56 1pkg s ASP 572 N 1.48 6.74 0.41 3.58 -1.08 -1.26 -4.92 116.67 121.62 1pkg s ASP 572 Ca 0.02 0.71 0.08 0.00 -0.52 0.00 0.00 52.55 52.84 1pkg s ASP 572 Cb -0.14 -2.47 0.85 0.00 -1.46 0.00 0.00 42.92 39.70 1pkg s ASP 572 CO -0.09 -0.82 2.03 -0.65 0.52 0.00 0.00 175.17 176.16 1pkg h PRO 573 N 8.32 0.46 -0.01 4.34 0.11 -1.99 -1.74 132.00 141.48 1pkg h PRO 573 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pkg h PRO 573 Cb 1.08 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1pkg h PRO 573 CO 0.98 0.35 0.00 0.25 -0.21 0.00 0.00 178.00 179.37 1pkg n THR 574 N -4.43 0.01 0.76 -1.15 -2.24 -1.26 -2.79 114.28 103.18 1pkg n THR 574 Ca 0.02 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 1pkg n THR 574 Cb 0.11 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1pkg n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pkg n GLN 575 N -0.60 1.62 -2.37 -0.78 1.13 -0.66 -4.66 117.38 111.05 1pkg n GLN 575 Ca 0.21 -0.51 -0.41 0.00 -1.94 0.00 0.00 57.00 54.35 1pkg n GLN 575 Cb 0.18 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.20 1pkg n GLN 575 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pkg s LEU 576 N -2.36 4.47 0.41 1.08 1.43 -1.12 -4.90 118.68 117.69 1pkg s LEU 576 Ca 0.11 2.27 0.32 0.00 -1.03 0.00 0.00 54.13 55.80 1pkg s LEU 576 Cb 0.13 -3.61 1.38 0.00 0.03 0.00 0.00 46.19 44.12 1pkg s LEU 576 CO 0.52 -0.34 1.40 -0.81 0.23 0.00 0.00 176.35 177.35 1pkg n PRO 577 N 2.18 -0.03 0.00 1.29 -0.04 -1.26 -4.79 135.00 132.35 1pkg n PRO 577 Ca 0.03 1.09 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1pkg n PRO 577 Cb 0.44 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1pkg n PRO 577 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1pkg n TYR 578 N -4.34 0.00 -3.41 0.54 4.19 -1.26 -5.10 117.16 107.77 1pkg n TYR 578 Ca 0.37 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 61.19 1pkg n TYR 578 Cb 1.49 0.00 -0.09 0.00 0.49 0.00 0.00 39.34 41.22 1pkg n TYR 578 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1pkg s ASP 579 N 0.00 6.21 0.00 2.98 -1.08 -1.26 -4.95 116.67 118.56 1pkg s ASP 579 Ca 0.00 0.13 0.20 0.00 -0.52 0.00 0.00 52.55 52.37 1pkg s ASP 579 Cb 0.00 -2.20 1.15 0.00 -1.46 0.00 0.00 42.92 40.41 1pkg s ASP 579 CO 0.00 -0.21 1.62 1.41 0.52 0.00 0.00 175.17 178.51 1pkg n HIS 580 N 5.32 0.00 0.30 -5.34 8.25 -1.26 -2.58 115.22 119.91 1pkg n HIS 580 Ca -0.09 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.56 1pkg n HIS 580 Cb 0.51 -0.11 0.90 0.00 1.12 0.00 0.00 29.99 32.40 1pkg n HIS 580 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1pkg h LYS 581 N 0.00 0.00 0.00 -0.41 2.10 -2.02 -2.89 116.57 113.35 1pkg h LYS 581 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pkg h LYS 581 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1pkg h LYS 581 CO 0.00 0.02 -0.05 -1.49 -2.00 0.00 0.00 179.45 175.93 1pkg h TRP 582 N 0.00 0.00 -2.25 0.07 4.06 -1.86 -3.47 115.95 112.50 1pkg h TRP 582 Ca -0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 1pkg h TRP 582 Cb 0.30 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.50 1pkg h TRP 582 CO 0.00 0.00 0.95 -1.91 -3.56 0.00 0.00 178.44 173.92 1pkg n GLU 583 N -2.40 2.29 -4.23 0.49 4.07 -1.09 -1.61 120.64 118.15 1pkg n GLU 583 Ca 0.05 0.83 -0.23 0.00 -0.06 0.00 0.00 57.16 57.76 1pkg n GLU 583 Cb 0.45 -2.65 -0.17 0.00 -0.06 0.00 0.00 31.44 29.02 1pkg n GLU 583 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1pkg s PHE 584 N 2.20 1.06 0.12 4.31 2.19 -0.00 -4.87 117.98 122.98 1pkg s PHE 584 Ca 0.83 -0.37 -0.31 0.00 0.33 0.00 0.00 56.93 57.41 1pkg s PHE 584 Cb -0.64 -0.88 -0.09 0.00 -1.31 0.00 0.00 43.02 40.10 1pkg s PHE 584 CO 0.42 -0.27 1.58 -1.25 1.83 0.00 0.00 175.22 177.52 1pkg s PRO 585 N 1.03 4.22 0.30 10.12 0.04 -1.26 -4.33 135.00 145.12 1pkg s PRO 585 Ca -0.09 2.31 0.09 0.00 0.04 0.00 0.00 61.00 63.35 1pkg s PRO 585 Cb -0.14 -3.33 0.47 0.00 0.04 0.00 0.00 34.50 31.53 1pkg s PRO 585 CO -0.00 -0.63 1.69 0.07 0.04 0.00 0.00 177.00 178.16 1pkg h ARG 586 N 7.37 0.12 0.00 4.56 0.11 -1.94 -1.63 114.38 122.98 1pkg h ARG 586 Ca -0.42 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1pkg h ARG 586 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1pkg h ARG 586 CO 0.91 0.58 0.00 0.27 0.10 0.00 0.00 179.97 181.83 1pkg n ASN 587 N -3.97 0.00 -0.62 0.08 2.04 -1.26 -0.00 115.26 111.53 1pkg n ASN 587 Ca -0.02 0.09 0.12 0.00 -0.44 0.00 0.00 54.58 54.34 1pkg n ASN 587 Cb 0.51 -0.19 0.17 0.00 -2.53 0.00 0.00 39.78 37.74 1pkg n ASN 587 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1pkg n ARG 588 N -1.19 1.61 -4.00 -3.83 1.74 -0.61 -4.92 116.66 105.47 1pkg n ARG 588 Ca 0.03 -1.24 -0.23 0.00 -0.77 0.00 0.00 57.85 55.64 1pkg n ARG 588 Cb 0.03 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1pkg n ARG 588 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pkg s LEU 589 N -2.24 4.21 -0.05 0.55 1.43 1.00 -1.52 118.68 122.05 1pkg s LEU 589 Ca 0.26 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1pkg s LEU 589 Cb 0.19 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.68 1pkg s LEU 589 CO 0.43 -0.03 0.26 -0.94 0.23 0.00 0.00 176.35 176.31 1pkg s SER 590 N -3.72 -0.20 -0.18 2.29 1.04 -0.83 -4.98 113.70 107.12 1pkg s SER 590 Ca 0.34 0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.95 1pkg s SER 590 Cb -0.09 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1pkg s SER 590 CO 0.28 -0.26 0.07 -0.36 0.98 0.00 0.00 173.24 173.95 1pkg s PHE 591 N -0.63 3.29 0.00 5.02 2.99 -1.26 -1.58 117.98 125.82 1pkg s PHE 591 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 56.93 57.01 1pkg s PHE 591 Cb -0.04 -2.07 0.00 0.00 0.00 0.00 0.00 43.02 40.91 1pkg s PHE 591 CO 0.02 0.23 0.00 0.41 -0.00 0.00 0.00 175.22 175.88 1pkg n GLY 592 N 3.36 1.76 3.78 4.36 0.00 -0.07 -4.97 105.19 113.40 1pkg n GLY 592 Ca -0.17 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 1pkg n GLY 592 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pkg s LYS 593 N 3.93 4.11 0.17 1.61 -2.85 -1.26 -4.66 119.74 120.78 1pkg s LYS 593 Ca 0.00 1.64 -0.34 0.00 -1.00 0.00 0.00 55.97 56.27 1pkg s LYS 593 Cb 0.00 -2.59 -0.14 0.00 -2.06 0.00 0.00 37.83 33.04 1pkg s LYS 593 CO 0.00 -0.22 1.52 2.41 0.10 0.00 0.00 175.35 179.16 1pkg n THR 594 N -0.02 0.17 -0.03 3.79 -1.04 -1.26 -2.33 114.28 113.56 1pkg n THR 594 Ca 0.05 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1pkg n THR 594 Cb 0.48 -1.45 -0.14 0.00 -1.82 0.00 0.00 70.33 67.40 1pkg n THR 594 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pkg n LEU 595 N 3.10 1.03 0.00 -4.42 4.77 -0.34 -4.87 117.00 116.27 1pkg n LEU 595 Ca 0.16 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1pkg n LEU 595 Cb 0.28 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1pkg n LEU 595 CO 0.63 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1pkg n GLY 596 N 1.63 -1.38 3.59 -0.72 0.00 -1.14 -4.95 105.19 102.22 1pkg n GLY 596 Ca -0.20 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 1pkg n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkg s ALA 597 N -1.81 -1.83 0.00 4.61 0.00 -1.26 -2.18 121.76 119.29 1pkg s ALA 597 Ca 0.00 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1pkg s ALA 597 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1pkg s ALA 597 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1pkg n GLY 598 N 4.76 2.17 0.11 0.00 0.00 -1.13 -5.00 105.19 106.09 1pkg n GLY 598 Ca -0.17 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 1pkg n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkg h ALA 599 N -0.84 0.58 0.00 4.61 0.00 -2.03 -3.41 119.26 118.17 1pkg h ALA 599 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1pkg h ALA 599 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pkg h ALA 599 CO 0.00 0.90 -0.62 1.19 0.00 0.00 0.00 179.25 180.72 1pkg n PHE 600 N -3.20 0.33 -4.68 0.00 3.72 -1.26 -4.97 117.46 107.39 1pkg n PHE 600 Ca -0.01 0.14 -0.30 0.00 -0.05 0.00 0.00 57.45 57.23 1pkg n PHE 600 Cb 0.83 -0.51 -0.09 0.00 -0.94 0.00 0.00 39.48 38.76 1pkg n PHE 600 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pkg s GLY 601 N -4.24 2.77 -0.14 1.37 0.00 -1.26 -4.34 107.32 101.48 1pkg s GLY 601 Ca -0.18 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 1pkg s GLY 601 CO 0.27 -2.13 -0.08 1.25 0.00 0.00 0.00 173.10 172.41 1pkg s LYS 602 N -3.80 3.48 -0.10 2.90 2.20 0.24 -2.85 119.74 121.80 1pkg s LYS 602 Ca 0.19 -0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1pkg s LYS 602 Cb 0.05 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1pkg s LYS 602 CO 0.10 0.26 -0.04 0.08 -0.36 0.00 0.00 175.35 175.39 1pkg s VAL 603 N 0.26 3.93 0.03 4.02 1.01 -0.93 -1.06 120.40 127.66 1pkg s VAL 603 Ca -0.06 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1pkg s VAL 603 Cb -0.15 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1pkg s VAL 603 CO 0.04 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.90 1pkg s VAL 604 N -0.47 0.95 0.57 2.92 1.01 0.53 -1.20 120.40 124.72 1pkg s VAL 604 Ca 0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1pkg s VAL 604 Cb -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1pkg s VAL 604 CO 0.02 0.02 1.10 -0.70 0.00 0.00 0.00 175.10 175.54 1pkg s GLU 605 N -0.94 3.25 0.19 2.72 2.12 -0.98 0.56 118.70 125.62 1pkg s GLU 605 Ca 0.01 1.47 -0.23 0.00 0.36 0.00 0.00 54.97 56.58 1pkg s GLU 605 Cb -0.07 -2.00 0.05 0.00 0.26 0.00 0.00 34.13 32.37 1pkg s GLU 605 CO 0.01 -0.90 0.68 0.00 -0.54 0.00 0.00 175.26 174.50 1pkg s ALA 606 N -2.03 -1.48 -0.14 6.30 0.00 0.56 -0.89 121.76 124.08 1pkg s ALA 606 Ca 0.69 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 1pkg s ALA 606 Cb -0.21 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1pkg s ALA 606 CO 0.31 -0.87 -0.09 0.99 0.00 0.00 0.00 175.76 176.10 1pkg s THR 607 N -3.74 3.46 -0.38 0.00 2.01 -0.61 0.48 115.64 116.85 1pkg s THR 607 Ca 0.05 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1pkg s THR 607 Cb -0.03 -2.48 0.08 0.00 0.01 0.00 0.00 72.50 70.08 1pkg s THR 607 CO -0.05 0.51 0.18 0.00 -0.69 0.00 0.00 174.62 174.57 1pkg s ALA 608 N 0.28 3.14 -0.34 7.40 0.00 -0.49 -1.97 121.76 129.78 1pkg s ALA 608 Ca -0.07 -2.13 -0.25 0.00 0.00 0.00 0.00 51.96 49.52 1pkg s ALA 608 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1pkg s ALA 608 CO 0.04 -1.58 0.87 -0.47 0.00 0.00 0.00 175.76 174.63 1pkg s TYR 609 N 1.32 3.13 0.00 0.00 6.14 -0.57 -2.52 117.35 124.85 1pkg s TYR 609 Ca 0.02 0.80 0.00 0.00 0.64 0.00 0.00 57.07 58.53 1pkg s TYR 609 Cb -0.22 -3.47 0.00 0.00 0.42 0.00 0.00 41.96 38.69 1pkg s TYR 609 CO 0.00 -0.72 0.00 0.41 0.64 0.00 0.00 175.55 175.88 1pkg n GLY 610 N 4.28 0.67 0.07 8.97 0.00 -1.26 -4.80 105.19 113.12 1pkg n GLY 610 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 1pkg n GLY 610 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pkg h LEU 611 N 0.00 0.00 0.00 0.99 5.85 -1.89 -3.43 115.31 116.83 1pkg h LEU 611 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pkg h LEU 611 Cb 0.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1pkg h LEU 611 CO 0.00 0.95 0.00 -0.38 -0.34 0.00 0.00 178.44 178.67 1pkg n ILE 612 N -3.25 0.26 -2.32 4.05 2.08 -1.26 -5.03 119.36 113.89 1pkg n ILE 612 Ca -0.04 0.09 -0.41 0.00 0.56 0.00 0.00 62.75 62.94 1pkg n ILE 612 Cb 0.95 -1.03 -0.03 0.00 -0.75 0.00 0.00 39.64 38.78 1pkg n ILE 612 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1pkg s LYS 613 N -1.23 4.45 0.62 0.38 -0.14 -1.26 -4.90 119.74 117.66 1pkg s LYS 613 Ca 0.00 1.94 0.21 0.00 -1.36 0.00 0.00 55.97 56.76 1pkg s LYS 613 Cb 0.00 -3.23 0.81 0.00 -1.68 0.00 0.00 37.83 33.73 1pkg s LYS 613 CO 0.00 -0.16 1.33 0.66 -0.76 0.00 0.00 175.35 176.41 1pkg h SER 614 N 5.39 0.00 -1.76 2.83 4.64 -1.96 0.02 113.55 122.71 1pkg h SER 614 Ca -0.44 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.31 1pkg h SER 614 Cb 1.21 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.89 1pkg h SER 614 CO 0.76 0.00 -0.76 -0.90 -0.87 0.00 0.00 176.83 175.06 1pkg n ASP 615 N -3.12 4.21 0.22 4.97 5.75 -1.26 -4.38 116.55 122.94 1pkg n ASP 615 Ca 0.16 -3.60 -0.09 0.00 -0.01 0.00 0.00 54.79 51.25 1pkg n ASP 615 Cb 1.28 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 40.82 1pkg n ASP 615 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pkg h ALA 616 N 2.76 -0.83 -6.53 2.12 0.00 -1.26 -3.44 119.26 112.08 1pkg h ALA 616 Ca 0.20 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 1pkg h ALA 616 Cb 0.80 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1pkg h ALA 616 CO 0.80 -0.79 -0.89 0.00 0.00 0.00 0.00 179.25 178.36 1pkg n ALA 617 N -2.44 -2.02 -1.79 0.00 0.00 -1.21 -4.83 120.51 108.22 1pkg n ALA 617 Ca -0.07 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.74 1pkg n ALA 617 Cb 0.23 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1pkg n ALA 617 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1pkg s MET 618 N -6.59 3.64 -0.15 0.00 1.75 -1.05 -4.86 119.30 112.04 1pkg s MET 618 Ca 0.00 1.48 -0.13 0.00 -1.25 0.00 0.00 55.69 55.79 1pkg s MET 618 Cb -0.00 -2.08 -0.05 0.00 2.84 0.00 0.00 34.83 35.54 1pkg s MET 618 CO 0.89 -0.59 0.27 0.99 -0.65 0.00 0.00 175.02 175.93 1pkg s THR 619 N -1.88 5.32 0.25 10.11 2.01 -1.26 -1.40 115.64 128.79 1pkg s THR 619 Ca 0.69 0.49 0.01 0.00 0.31 0.00 0.00 61.69 63.20 1pkg s THR 619 Cb -0.20 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1pkg s THR 619 CO 0.23 0.43 0.16 0.68 -0.69 0.00 0.00 174.62 175.43 1pkg s VAL 620 N 0.18 0.13 -0.15 3.82 -7.23 0.18 -3.95 120.40 113.39 1pkg s VAL 620 Ca 0.16 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1pkg s VAL 620 Cb -0.13 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1pkg s VAL 620 CO 0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.74 1pkg s ALA 621 N -3.89 2.80 -0.11 1.32 0.00 -0.51 -0.32 121.76 121.05 1pkg s ALA 621 Ca 0.39 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1pkg s ALA 621 Cb 0.06 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1pkg s ALA 621 CO 0.16 0.19 -0.07 0.08 0.00 0.00 0.00 175.76 176.12 1pkg s VAL 622 N 0.42 3.64 -0.04 0.00 1.01 0.19 -0.46 120.40 125.16 1pkg s VAL 622 Ca -0.07 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1pkg s VAL 622 Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1pkg s VAL 622 CO 0.04 0.55 -0.21 -0.75 0.00 0.00 0.00 175.10 174.72 1pkg s LYS 623 N -0.17 2.34 0.04 2.72 2.20 0.11 -0.34 119.74 126.62 1pkg s LYS 623 Ca 0.02 -0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 54.61 1pkg s LYS 623 Cb -0.13 -2.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.04 1pkg s LYS 623 CO 0.03 0.55 0.41 0.00 -0.36 0.00 0.00 175.35 175.98 1pkg s MET 624 N -0.57 0.91 0.53 4.03 0.23 -0.22 0.74 119.30 124.94 1pkg s MET 624 Ca 0.08 -0.33 -0.21 0.00 -1.03 0.00 0.00 55.69 54.20 1pkg s MET 624 Cb -0.11 0.40 -0.07 0.00 -1.53 0.00 0.00 34.83 33.52 1pkg s MET 624 CO 0.00 -0.31 0.97 1.28 -2.03 0.00 0.00 175.02 174.94 1pkg n LEU 625 N 0.58 3.16 -4.81 0.18 4.77 -1.26 0.80 117.00 120.41 1pkg n LEU 625 Ca -0.19 0.90 -0.34 0.00 -0.03 0.00 0.00 56.01 56.35 1pkg n LEU 625 Cb 0.59 -1.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 1pkg n LEU 625 CO 0.20 -1.73 0.64 -0.54 -1.33 0.00 0.00 177.39 174.63 1pkg s LYS 626 N -2.43 4.33 0.83 3.23 1.02 -1.26 -4.55 119.74 120.91 1pkg s LYS 626 Ca 0.70 1.16 -0.13 0.00 0.02 0.00 0.00 55.97 57.73 1pkg s LYS 626 Cb -0.47 -2.39 0.09 0.00 -0.52 0.00 0.00 37.83 34.55 1pkg s LYS 626 CO 0.52 0.08 1.20 -1.25 -0.92 0.00 0.00 175.35 174.97 1pkg s PRO 627 N -2.81 1.52 -1.33 -1.68 0.04 -1.26 -2.18 135.00 127.31 1pkg s PRO 627 Ca 0.58 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.26 1pkg s PRO 627 Cb -0.12 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1pkg s PRO 627 CO 0.17 -2.29 0.50 0.43 0.04 0.00 0.00 177.00 175.84 1pkg n SER 628 N -3.46 -4.20 -4.83 6.66 7.64 -1.26 -4.97 113.62 109.20 1pkg n SER 628 Ca 0.13 -0.35 -0.32 0.00 1.01 0.00 0.00 58.87 59.34 1pkg n SER 628 Cb 0.51 -3.45 0.01 0.00 -1.01 0.00 0.00 64.21 60.26 1pkg n SER 628 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pkg s ALA 629 N -2.97 2.87 0.46 -0.43 0.00 -0.92 -5.08 121.76 115.69 1pkg s ALA 629 Ca 0.37 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1pkg s ALA 629 Cb -0.19 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 19.84 1pkg s ALA 629 CO 0.46 -0.76 0.50 0.72 0.00 0.00 0.00 175.76 176.68 1pkg n HIS 630 N -2.36 -2.90 0.17 0.00 8.25 -1.26 -4.90 115.22 112.23 1pkg n HIS 630 Ca 0.07 -1.06 -0.14 0.00 -0.26 0.00 0.00 57.72 56.33 1pkg n HIS 630 Cb 0.54 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1pkg n HIS 630 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1pkg h LEU 631 N 0.00 -0.49 -0.26 2.41 5.85 -1.99 -1.33 115.31 119.50 1pkg h LEU 631 Ca -0.17 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1pkg h LEU 631 Cb 0.68 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1pkg h LEU 631 CO 0.20 -0.30 -0.53 0.74 -0.34 0.00 0.00 178.44 178.21 1pkg h THR 632 N -0.45 0.02 -0.62 1.05 2.02 -1.99 0.58 112.91 113.52 1pkg h THR 632 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 1pkg h THR 632 Cb 0.39 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 66.74 1pkg h THR 632 CO -0.00 0.00 0.16 -0.33 0.37 0.00 0.00 175.52 175.72 1pkg h GLU 633 N -0.49 0.29 0.14 6.66 3.07 -1.89 -1.46 114.58 120.90 1pkg h GLU 633 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1pkg h GLU 633 Cb 0.64 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1pkg h GLU 633 CO -0.51 0.19 -0.26 -0.09 -1.40 0.00 0.00 179.01 176.94 1pkg h ARG 634 N 0.30 -0.41 -0.91 2.33 2.43 -0.12 -2.69 114.38 115.30 1pkg h ARG 634 Ca 0.33 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.68 1pkg h ARG 634 Cb 0.49 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 1pkg h ARG 634 CO -0.40 -0.27 0.59 0.93 -1.51 0.00 0.00 179.97 179.31 1pkg h GLU 635 N -0.42 0.66 -0.27 0.20 5.08 -0.68 -1.55 114.58 117.61 1pkg h GLU 635 Ca -0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1pkg h GLU 635 Cb 0.40 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1pkg h GLU 635 CO -0.10 0.44 -0.23 0.00 -1.00 0.00 0.00 179.01 178.12 1pkg h ALA 636 N 1.60 1.11 -0.25 3.43 0.00 -1.07 -0.52 119.26 123.56 1pkg h ALA 636 Ca 0.47 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1pkg h ALA 636 Cb 0.79 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pkg h ALA 636 CO -0.23 0.55 -0.56 1.25 0.00 0.00 0.00 179.25 180.27 1pkg h LEU 637 N 0.44 0.87 -0.67 0.00 5.85 -0.95 -0.67 115.31 120.18 1pkg h LEU 637 Ca 0.07 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 1pkg h LEU 637 Cb 0.65 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1pkg h LEU 637 CO 0.05 1.25 -0.03 0.24 -0.34 0.00 0.00 178.44 179.61 1pkg h MET 638 N 0.59 1.01 -0.72 1.25 2.86 -1.51 -1.89 114.93 116.52 1pkg h MET 638 Ca 0.01 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1pkg h MET 638 Cb 1.15 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 1pkg h MET 638 CO 0.12 1.00 0.45 1.03 1.06 0.00 0.00 176.91 180.57 1pkg h SER 639 N 0.92 0.85 1.18 1.22 0.87 -0.37 -1.26 113.55 116.96 1pkg h SER 639 Ca 0.16 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 1pkg h SER 639 Cb 0.57 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1pkg h SER 639 CO 0.03 0.65 -0.86 1.05 -0.53 0.00 0.00 176.83 177.17 1pkg h GLU 640 N 0.99 0.00 -0.24 2.24 4.11 -1.00 -1.88 114.58 118.79 1pkg h GLU 640 Ca 0.26 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.74 1pkg h GLU 640 Cb -0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1pkg h GLU 640 CO -0.05 0.40 -0.06 1.25 0.07 0.00 0.00 179.01 180.62 1pkg h LEU 641 N 0.00 -0.22 -0.76 3.06 5.85 -0.85 -1.01 115.31 121.38 1pkg h LEU 641 Ca -0.06 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1pkg h LEU 641 Cb 1.44 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1pkg h LEU 641 CO 0.06 -0.08 0.22 0.11 -0.34 0.00 0.00 178.44 178.41 1pkg h LYS 642 N 0.00 1.16 0.46 1.25 1.57 -1.03 -1.74 116.57 118.24 1pkg h LYS 642 Ca 0.12 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1pkg h LYS 642 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1pkg h LYS 642 CO -0.25 0.99 -0.22 0.28 -0.57 0.00 0.00 179.45 179.68 1pkg h VAL 643 N 1.11 0.31 -0.78 0.50 2.07 -1.28 -2.32 116.25 115.86 1pkg h VAL 643 Ca 0.24 -0.54 0.18 0.00 0.82 0.00 0.00 66.70 67.41 1pkg h VAL 643 Cb 0.32 0.46 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 1pkg h VAL 643 CO -0.01 0.06 0.14 -0.07 0.02 0.00 0.00 177.57 177.72 1pkg h LEU 644 N -1.03 -0.10 -0.41 2.57 3.38 -1.17 0.52 115.31 119.07 1pkg h LEU 644 Ca -0.06 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1pkg h LEU 644 Cb 0.57 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1pkg h LEU 644 CO 0.10 -0.11 -0.13 -1.28 0.09 0.00 0.00 178.44 177.11 1pkg h SER 645 N 0.20 -0.47 -0.43 -0.43 0.87 -1.35 -1.82 113.55 110.13 1pkg h SER 645 Ca 0.45 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 61.06 1pkg h SER 645 Cb 0.82 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1pkg h SER 645 CO -0.60 -0.17 -0.08 0.22 -0.53 0.00 0.00 176.83 175.68 1pkg h TYR 646 N -0.04 0.90 -0.11 2.24 5.03 0.55 -3.17 116.97 122.38 1pkg h TYR 646 Ca 0.20 -0.19 -0.19 0.00 2.58 0.00 0.00 58.73 61.13 1pkg h TYR 646 Cb 0.34 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 1pkg h TYR 646 CO -0.39 0.91 -0.72 -0.07 -1.32 0.00 0.00 178.16 176.57 1pkg h LEU 647 N 0.64 0.62 -0.23 2.82 3.38 -1.00 -3.50 115.31 118.04 1pkg h LEU 647 Ca 0.11 -0.40 0.34 0.00 0.09 0.00 0.00 57.88 58.02 1pkg h LEU 647 Cb 0.60 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 1pkg h LEU 647 CO 0.04 1.15 -0.46 0.61 0.09 0.00 0.00 178.44 179.87 1pkg n GLY 648 N 0.56 -1.82 3.25 0.83 0.00 -0.69 -4.75 105.19 102.57 1pkg n GLY 648 Ca -0.05 -1.21 -0.55 0.00 0.00 0.00 0.00 46.02 44.21 1pkg n GLY 648 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pkg n ASN 649 N -3.81 0.02 -3.64 1.61 5.15 -1.26 -4.94 115.26 108.39 1pkg n ASN 649 Ca 0.01 1.07 -0.06 0.00 -0.60 0.00 0.00 54.58 55.01 1pkg n ASN 649 Cb 0.57 -0.85 -0.06 0.00 -0.53 0.00 0.00 39.78 38.90 1pkg n ASN 649 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1pkg s HIS 650 N 0.06 -1.05 0.33 1.20 5.65 -1.26 -5.06 115.29 115.16 1pkg s HIS 650 Ca 0.85 2.05 0.12 0.00 0.25 0.00 0.00 55.06 58.32 1pkg s HIS 650 Cb -1.18 0.63 0.99 0.00 -1.18 0.00 0.00 32.58 31.84 1pkg s HIS 650 CO 0.53 -0.52 1.68 1.98 -0.65 0.00 0.00 174.74 177.76 1pkg h MET 651 N 7.05 0.38 -0.00 2.88 4.05 -1.95 -1.40 114.93 125.93 1pkg h MET 651 Ca -0.28 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1pkg h MET 651 Cb 1.21 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1pkg h MET 651 CO 0.15 0.25 -0.39 0.09 0.23 0.00 0.00 176.91 177.24 1pkg n ASN 652 N -5.02 0.68 -4.94 1.39 4.13 -1.26 -4.62 115.26 105.61 1pkg n ASN 652 Ca 0.29 -0.48 -0.24 0.00 1.68 0.00 0.00 54.58 55.83 1pkg n ASN 652 Cb 0.89 0.19 -0.00 0.00 -1.54 0.00 0.00 39.78 39.32 1pkg n ASN 652 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pkg s ILE 653 N -2.80 4.61 -0.05 2.41 -1.09 -0.53 0.18 121.20 123.92 1pkg s ILE 653 Ca 0.16 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 57.85 1pkg s ILE 653 Cb 0.18 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1pkg s ILE 653 CO 0.63 -0.48 1.41 0.54 -1.23 0.00 0.00 174.94 175.80 1pkg s VAL 654 N -2.45 3.85 -0.28 2.92 0.11 0.31 -4.50 120.40 120.37 1pkg s VAL 654 Ca 0.44 1.15 -0.28 0.00 -2.93 0.00 0.00 61.98 60.36 1pkg s VAL 654 Cb -0.10 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 1pkg s VAL 654 CO 0.37 -0.05 1.85 0.21 -3.33 0.00 0.00 175.10 174.16 1pkg s ASN 655 N 2.17 5.91 0.06 3.54 2.47 -1.26 -4.93 114.94 122.90 1pkg s ASN 655 Ca 0.63 1.52 -0.30 0.00 0.42 0.00 0.00 52.86 55.12 1pkg s ASN 655 Cb -0.29 -2.52 -0.05 0.00 -1.45 0.00 0.00 41.25 36.93 1pkg s ASN 655 CO 0.24 -1.66 1.09 -0.22 -3.72 0.00 0.00 177.10 172.84 1pkg s LEU 656 N 6.78 4.40 0.00 3.21 2.96 -1.26 -0.77 118.68 134.00 1pkg s LEU 656 Ca 0.83 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.63 1pkg s LEU 656 Cb -0.26 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1pkg s LEU 656 CO 0.34 -0.34 0.14 0.18 -1.32 0.00 0.00 176.35 175.35 1pkg n LEU 657 N 3.61 0.27 0.00 -0.68 4.77 0.25 -4.93 117.00 120.29 1pkg n LEU 657 Ca 0.07 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1pkg n LEU 657 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1pkg n LEU 657 CO 0.54 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1pkg n GLY 658 N 0.52 0.48 3.23 -0.72 0.00 -0.98 -4.98 105.19 102.73 1pkg n GLY 658 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1pkg n GLY 658 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkg s ALA 659 N -2.00 -0.41 -0.13 4.61 0.00 -0.64 0.22 121.76 123.41 1pkg s ALA 659 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1pkg s ALA 659 Cb 0.00 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1pkg s ALA 659 CO 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 175.76 175.08 1pkg n THR 661 N 4.32 0.00 -5.09 0.00 -2.24 -1.26 -0.31 114.28 109.70 1pkg n THR 661 Ca -0.19 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 60.84 1pkg n THR 661 Cb 0.51 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.62 1pkg n THR 661 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pkg s ILE 662 N -1.12 2.52 -0.74 2.28 1.09 -1.26 -4.72 121.20 119.25 1pkg s ILE 662 Ca 0.03 -0.91 -0.03 0.00 -1.10 0.00 0.00 60.65 58.64 1pkg s ILE 662 Cb 0.04 -1.95 0.00 0.00 -1.06 0.00 0.00 42.46 39.49 1pkg s ILE 662 CO 0.14 0.57 0.64 0.61 -0.10 0.00 0.00 174.94 176.80 1pkg n GLY 663 N 2.70 0.06 0.00 6.18 0.00 -1.26 -4.86 105.19 108.01 1pkg n GLY 663 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1pkg n GLY 663 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkg n GLY 664 N -1.26 0.89 3.68 -0.02 0.00 -1.26 -5.03 105.19 102.19 1pkg n GLY 664 Ca -0.06 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1pkg n GLY 664 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pkg n PRO 665 N -1.93 0.13 -1.84 1.61 -0.02 -1.26 -4.82 135.00 126.87 1pkg n PRO 665 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 1pkg n PRO 665 Cb 0.00 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 1pkg n PRO 665 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pkg s THR 666 N -2.16 3.30 -0.25 3.45 2.01 -1.26 -4.69 115.64 116.05 1pkg s THR 666 Ca 0.73 0.36 -0.06 0.00 0.31 0.00 0.00 61.69 63.02 1pkg s THR 666 Cb -0.29 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1pkg s THR 666 CO 0.52 -0.05 0.04 -0.76 -0.69 0.00 0.00 174.62 173.68 1pkg s LEU 667 N 4.63 3.34 -0.34 4.42 1.02 0.58 -4.30 118.68 128.02 1pkg s LEU 667 Ca 0.82 -0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.57 1pkg s LEU 667 Cb -0.37 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 43.96 1pkg s LEU 667 CO 0.35 -0.04 0.21 -0.69 0.02 0.00 0.00 176.35 176.20 1pkg s VAL 668 N 1.58 4.97 -0.20 -1.59 1.01 0.23 0.41 120.40 126.81 1pkg s VAL 668 Ca 0.06 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1pkg s VAL 668 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1pkg s VAL 668 CO 0.02 -0.04 0.53 -0.63 0.00 0.00 0.00 175.10 174.99 1pkg s ILE 669 N 1.66 5.09 0.16 2.22 1.01 0.13 0.05 121.20 131.54 1pkg s ILE 669 Ca 0.05 0.99 0.09 0.00 0.00 0.00 0.00 60.65 61.78 1pkg s ILE 669 Cb -0.18 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1pkg s ILE 669 CO 0.09 0.17 -0.19 -0.89 0.00 0.00 0.00 174.94 174.12 1pkg s THR 670 N 1.67 1.85 0.10 2.92 2.01 0.39 -0.59 115.64 123.99 1pkg s THR 670 Ca 0.25 -1.90 -0.31 0.00 0.31 0.00 0.00 61.69 60.04 1pkg s THR 670 Cb -0.15 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.42 1pkg s THR 670 CO 0.10 -0.28 1.72 -1.83 -0.69 0.00 0.00 174.62 173.64 1pkg s GLU 671 N -2.72 4.17 0.03 4.92 -1.05 0.05 -1.43 118.70 122.67 1pkg s GLU 671 Ca 0.15 2.44 -0.30 0.00 -0.15 0.00 0.00 54.97 57.11 1pkg s GLU 671 Cb -0.06 -3.58 -0.08 0.00 -0.44 0.00 0.00 34.13 29.97 1pkg s GLU 671 CO 0.07 -0.77 1.70 -0.47 0.95 0.00 0.00 175.26 176.73 1pkg s TYR 672 N 2.62 2.13 -0.20 4.83 6.14 -1.25 -4.57 117.35 127.04 1pkg s TYR 672 Ca 0.77 0.17 -0.13 0.00 0.64 0.00 0.00 57.07 58.51 1pkg s TYR 672 Cb -0.42 -3.99 -0.04 0.00 0.42 0.00 0.00 41.96 37.92 1pkg s TYR 672 CO 0.34 -4.12 0.29 0.00 0.64 0.00 0.00 175.55 172.69 1pkg n TYR 675 N -1.99 0.00 -2.98 0.00 4.01 -0.90 -5.07 117.16 110.23 1pkg n TYR 675 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1pkg n TYR 675 Cb 0.41 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1pkg n TYR 675 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pkg n GLY 676 N 1.43 -1.21 3.72 2.72 0.00 -1.24 -4.61 105.19 106.00 1pkg n GLY 676 Ca 0.02 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1pkg n GLY 676 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkg s ASP 677 N -4.00 7.25 0.36 1.61 -4.77 -1.26 -1.62 116.67 114.24 1pkg s ASP 677 Ca 0.00 1.91 0.18 0.00 -3.30 0.00 0.00 52.55 51.34 1pkg s ASP 677 Cb 0.00 -2.58 1.24 0.00 -1.09 0.00 0.00 42.92 40.49 1pkg s ASP 677 CO 0.00 -0.31 1.61 -0.07 0.70 0.00 0.00 175.17 177.10 1pkg h LEU 678 N 6.27 0.36 0.18 2.11 3.38 0.08 -0.45 115.31 127.24 1pkg h LEU 678 Ca -0.42 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pkg h LEU 678 Cb 1.21 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1pkg h LEU 678 CO 0.76 -0.34 -0.17 0.25 0.09 0.00 0.00 178.44 179.04 1pkg h LEU 679 N 0.11 -0.45 -0.33 1.67 5.85 -1.71 0.73 115.31 121.17 1pkg h LEU 679 Ca 0.80 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.52 1pkg h LEU 679 Cb 2.03 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 43.20 1pkg h LEU 679 CO -0.72 -0.26 0.01 0.78 -0.34 0.00 0.00 178.44 177.91 1pkg h ASN 680 N -0.38 0.56 -0.94 1.25 -0.26 -1.48 -2.70 115.58 111.64 1pkg h ASN 680 Ca 0.00 -0.30 0.06 0.00 -0.56 0.00 0.00 56.30 55.50 1pkg h ASN 680 Cb 0.35 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.40 1pkg h ASN 680 CO -0.04 0.72 0.60 0.15 -1.06 0.00 0.00 177.43 177.80 1pkg h PHE 681 N 0.38 1.11 -0.70 1.19 3.04 -0.55 -1.95 116.94 119.45 1pkg h PHE 681 Ca 0.09 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 1pkg h PHE 681 Cb 0.43 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 1pkg h PHE 681 CO 0.03 0.57 0.27 -0.07 -2.02 0.00 0.00 178.31 177.10 1pkg h LEU 682 N 1.09 0.96 -0.01 0.59 3.38 0.75 -2.51 115.31 119.56 1pkg h LEU 682 Ca 0.40 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1pkg h LEU 682 Cb 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1pkg h LEU 682 CO -0.17 0.86 -0.90 0.03 0.09 0.00 0.00 178.44 178.35 1pkg h ARG 683 N 1.02 0.00 0.00 1.13 3.08 -1.07 -0.50 114.38 118.04 1pkg h ARG 683 Ca 0.23 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 1pkg h ARG 683 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1pkg h ARG 683 CO -0.02 0.90 -0.42 0.00 -1.07 0.00 0.00 179.97 179.36 1pkg h ARG 684 N 0.00 0.00 -0.27 0.04 3.08 -1.30 -3.29 114.38 112.64 1pkg h ARG 684 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1pkg h ARG 684 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1pkg h ARG 684 CO 0.12 0.42 0.00 1.63 -1.07 0.00 0.00 179.97 181.07 1pkg n LYS 685 N -4.03 2.78 0.01 0.04 4.76 -0.96 -4.52 118.16 116.24 1pkg n LYS 685 Ca -0.02 -1.90 -0.06 0.00 -2.87 0.00 0.00 58.31 53.46 1pkg n LYS 685 Cb 0.45 -1.21 0.13 0.00 -1.84 0.00 0.00 35.03 32.56 1pkg n LYS 685 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1pkg h ARG 686 N 1.64 0.51 -0.94 1.97 0.11 -1.16 -2.95 114.38 113.55 1pkg h ARG 686 Ca 0.00 -0.25 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 1pkg h ARG 686 Cb 0.67 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 1pkg h ARG 686 CO 0.00 0.81 0.01 -0.40 0.10 0.00 0.00 179.97 180.50 1pkg n ASP 687 N -4.04 1.93 0.00 0.08 5.75 -1.26 -2.53 116.55 116.48 1pkg n ASP 687 Ca -0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1pkg n ASP 687 Cb 0.50 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1pkg n ASP 687 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1pkg n SER 688 N 0.12 0.00 -4.75 -1.12 7.64 -1.16 -5.12 113.62 109.22 1pkg n SER 688 Ca 0.05 -0.83 -0.41 0.00 1.01 0.00 0.00 58.87 58.69 1pkg n SER 688 Cb 0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1pkg n SER 688 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1pkg s PHE 689 N 0.00 2.73 0.19 1.43 2.19 -1.05 -4.40 117.98 119.07 1pkg s PHE 689 Ca 0.00 0.78 0.02 0.00 0.33 0.00 0.00 56.93 58.07 1pkg s PHE 689 Cb 0.00 -4.08 -0.01 0.00 -1.31 0.00 0.00 43.02 37.62 1pkg s PHE 689 CO 0.00 -3.62 0.21 0.44 1.83 0.00 0.00 175.22 174.08 1pkg n ILE 690 N 2.08 0.00 -4.12 3.12 -5.35 -1.11 -5.03 119.36 108.95 1pkg n ILE 690 Ca 0.08 -1.24 -0.25 0.00 -0.27 0.00 0.00 62.75 61.06 1pkg n ILE 690 Cb 0.37 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 1pkg n ILE 690 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pkg n SER 692 N -1.66 0.00 -1.11 0.00 7.64 -1.26 -4.85 113.62 112.38 1pkg n SER 692 Ca -0.08 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.82 1pkg n SER 692 Cb 0.57 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1pkg n SER 692 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1pkg n LYS 693 N -0.13 -1.27 0.00 1.43 0.00 -1.26 -5.14 118.16 111.79 1pkg n LYS 693 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 1pkg n LYS 693 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 33.41 1pkg n LYS 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pkg n ALA 763 N -2.46 0.00 -2.83 0.58 0.00 -1.26 -5.23 120.51 109.32 1pkg n ALA 763 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1pkg n ALA 763 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 1pkg n ALA 763 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkg s LEU 764 N 0.00 3.77 0.36 0.00 2.96 -1.26 -5.08 118.68 119.43 1pkg s LEU 764 Ca 0.00 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1pkg s LEU 764 Cb 0.00 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 1pkg s LEU 764 CO 0.00 0.21 0.50 -0.62 -1.32 0.00 0.00 176.35 175.12 1pkg s ASP 765 N 0.17 5.89 0.10 3.68 -1.08 -1.26 -2.75 116.67 121.42 1pkg s ASP 765 Ca 0.04 -0.24 -0.13 0.00 -0.52 0.00 0.00 52.55 51.70 1pkg s ASP 765 Cb -0.12 -1.09 -0.16 0.00 -1.46 0.00 0.00 42.92 40.09 1pkg s ASP 765 CO 0.01 -0.52 1.30 0.25 0.52 0.00 0.00 175.17 176.73 1pkg h LEU 766 N 0.82 0.94 -1.12 -1.34 5.85 -1.85 -2.96 115.31 115.65 1pkg h LEU 766 Ca -0.44 -0.63 0.11 0.00 0.84 0.00 0.00 57.88 57.76 1pkg h LEU 766 Cb 1.26 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 1pkg h LEU 766 CO 0.51 1.42 0.60 -0.08 -0.34 0.00 0.00 178.44 180.55 1pkg h GLU 767 N 0.53 0.89 -0.59 1.25 4.81 -1.95 -0.41 114.58 119.11 1pkg h GLU 767 Ca -0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1pkg h GLU 767 Cb 1.40 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1pkg h GLU 767 CO 0.16 0.59 0.38 -0.44 -0.73 0.00 0.00 179.01 178.97 1pkg h ASP 768 N 0.91 0.69 -0.11 1.04 5.19 -1.95 0.44 116.42 122.64 1pkg h ASP 768 Ca 0.46 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.82 1pkg h ASP 768 Cb 0.49 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 1pkg h ASP 768 CO -0.22 0.52 0.00 -0.07 -3.12 0.00 0.00 179.24 176.36 1pkg h LEU 769 N 0.80 0.19 0.03 1.55 3.38 -1.16 0.09 115.31 120.19 1pkg h LEU 769 Ca 0.22 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1pkg h LEU 769 Cb -0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1pkg h LEU 769 CO -0.04 0.44 -0.47 -0.07 0.09 0.00 0.00 178.44 178.39 1pkg h LEU 770 N -0.07 -1.43 -0.93 1.67 3.38 -1.04 -1.74 115.31 115.14 1pkg h LEU 770 Ca 0.03 0.17 0.27 0.00 0.09 0.00 0.00 57.88 58.44 1pkg h LEU 770 Cb 0.34 0.55 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1pkg h LEU 770 CO 0.01 -0.50 0.36 -1.28 0.09 0.00 0.00 178.44 177.12 1pkg h SER 771 N -0.64 0.19 0.58 -0.43 0.87 0.12 0.32 113.55 114.56 1pkg h SER 771 Ca 0.03 0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1pkg h SER 771 Cb 0.70 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1pkg h SER 771 CO -0.32 -0.15 -0.46 -0.26 -0.53 0.00 0.00 176.83 175.10 1pkg h PHE 772 N 0.25 0.00 -0.05 2.24 0.05 -0.54 -1.55 116.94 117.35 1pkg h PHE 772 Ca 0.62 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.40 1pkg h PHE 772 Cb 1.33 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.28 1pkg h PHE 772 CO -0.17 0.46 -0.02 0.77 -0.18 0.00 0.00 178.31 179.17 1pkg h SER 773 N 0.00 0.10 0.27 2.17 0.02 0.45 -2.14 113.55 114.41 1pkg h SER 773 Ca -0.00 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1pkg h SER 773 Cb 0.88 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1pkg h SER 773 CO 0.06 0.46 -0.37 0.22 -1.14 0.00 0.00 176.83 176.06 1pkg h TYR 774 N -0.27 -1.01 -0.55 3.45 5.03 -1.09 -2.09 116.97 120.44 1pkg h TYR 774 Ca 0.01 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1pkg h TYR 774 Cb 0.42 0.41 -0.03 0.00 1.55 0.00 0.00 36.73 39.08 1pkg h TYR 774 CO 0.06 -0.50 0.26 1.96 -1.32 0.00 0.00 178.16 178.62 1pkg h GLN 775 N -0.70 0.77 -0.09 1.82 4.20 -1.29 0.14 115.11 119.95 1pkg h GLN 775 Ca -0.01 -0.09 -0.23 0.00 0.06 0.00 0.00 58.65 58.38 1pkg h GLN 775 Cb 0.66 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1pkg h GLN 775 CO -0.13 0.60 -0.85 0.28 -0.67 0.00 0.00 178.83 178.06 1pkg h VAL 776 N 0.77 1.28 -0.72 -0.54 2.07 -1.36 -1.52 116.25 116.23 1pkg h VAL 776 Ca 0.19 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.60 1pkg h VAL 776 Cb 0.09 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1pkg h VAL 776 CO -0.03 0.65 0.25 0.00 0.02 0.00 0.00 177.57 178.47 1pkg h ALA 777 N 0.49 0.94 -0.08 1.67 0.00 -0.89 0.47 119.26 121.86 1pkg h ALA 777 Ca -0.08 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1pkg h ALA 777 Cb 1.50 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1pkg h ALA 777 CO 0.17 0.59 -0.15 -0.22 0.00 0.00 0.00 179.25 179.65 1pkg h LYS 778 N 1.05 -0.20 -0.41 0.00 3.64 -0.73 0.19 116.57 120.11 1pkg h LYS 778 Ca 0.24 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1pkg h LYS 778 Cb 0.26 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1pkg h LYS 778 CO -0.01 -0.13 -0.13 0.78 -2.27 0.00 0.00 179.45 177.68 1pkg h GLY 779 N -0.21 0.80 1.74 5.01 0.00 -0.76 -2.30 103.07 107.36 1pkg h GLY 779 Ca 0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.66 1pkg h GLY 779 CO -0.20 0.56 -0.53 -0.33 0.00 0.00 0.00 176.54 176.04 1pkg h MET 780 N 0.67 0.27 0.00 4.80 2.86 0.30 -1.99 114.93 121.84 1pkg h MET 780 Ca 0.11 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1pkg h MET 780 Cb 0.60 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1pkg h MET 780 CO 0.04 0.74 -0.28 0.00 1.06 0.00 0.00 176.91 178.47 1pkg h ALA 781 N 1.23 1.26 -0.04 6.32 0.00 -0.40 -2.70 119.26 124.93 1pkg h ALA 781 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1pkg h ALA 781 Cb 1.01 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1pkg h ALA 781 CO 0.08 0.34 -0.32 0.35 0.00 0.00 0.00 179.25 179.71 1pkg h PHE 782 N 0.00 0.40 -1.00 0.00 3.04 -0.85 -3.00 116.94 115.53 1pkg h PHE 782 Ca -0.00 -0.19 0.18 0.00 3.98 0.00 0.00 57.97 61.94 1pkg h PHE 782 Cb 0.60 -0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.95 1pkg h PHE 782 CO 0.00 0.95 0.62 -0.07 -2.02 0.00 0.00 178.31 177.79 1pkg h LEU 783 N -0.27 0.78 -0.20 0.59 3.38 -1.27 -2.54 115.31 115.78 1pkg h LEU 783 Ca -0.03 0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 1pkg h LEU 783 Cb 1.01 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1pkg h LEU 783 CO 0.07 0.29 -0.79 0.00 0.09 0.00 0.00 178.44 178.10 1pkg h ALA 784 N 1.63 0.36 0.00 1.53 0.00 -1.52 0.13 119.26 121.39 1pkg h ALA 784 Ca 0.56 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1pkg h ALA 784 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pkg h ALA 784 CO -0.35 0.70 -0.12 0.66 0.00 0.00 0.00 179.25 180.14 1pkg h SER 785 N 0.47 0.00 -0.57 0.00 4.64 -1.36 -0.80 113.55 115.93 1pkg h SER 785 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1pkg h SER 785 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1pkg h SER 785 CO 0.16 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.53 1pkg n LYS 786 N -3.95 2.93 -1.19 4.77 4.76 -0.72 -4.91 118.16 119.85 1pkg n LYS 786 Ca -0.02 -2.29 -0.07 0.00 -2.87 0.00 0.00 58.31 53.06 1pkg n LYS 786 Cb 0.21 -1.66 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1pkg n LYS 786 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pkg n ASN 787 N 1.05 -3.83 -4.58 4.39 3.02 -0.31 -4.95 115.26 110.05 1pkg n ASN 787 Ca 0.21 0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.62 1pkg n ASN 787 Cb 0.66 -1.91 -0.10 0.00 -0.61 0.00 0.00 39.78 37.82 1pkg n ASN 787 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkg s ILE 789 N -1.16 2.16 0.06 0.00 -4.36 -0.49 -3.82 121.20 113.59 1pkg s ILE 789 Ca 0.20 -1.03 -0.18 0.00 -0.26 0.00 0.00 60.65 59.38 1pkg s ILE 789 Cb -0.11 -1.79 -0.13 0.00 1.25 0.00 0.00 42.46 41.69 1pkg s ILE 789 CO 0.12 0.57 1.35 -0.74 0.24 0.00 0.00 174.94 176.48 1pkg h HIS 790 N 6.01 0.64 0.00 1.37 -0.00 -1.91 -2.44 115.15 118.83 1pkg h HIS 790 Ca -0.33 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 59.83 1pkg h HIS 790 Cb 1.17 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1pkg h HIS 790 CO 0.43 0.92 0.00 0.54 -0.00 0.00 0.00 177.93 179.82 1pkg n ARG 791 N -4.37 0.00 -1.50 5.26 1.74 -1.26 -2.59 116.66 113.93 1pkg n ARG 791 Ca -0.06 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 1pkg n ARG 791 Cb 0.45 -2.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.04 1pkg n ARG 791 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pkg n ASP 792 N 0.00 0.45 -4.68 0.55 4.64 -1.26 -4.84 116.55 111.41 1pkg n ASP 792 Ca 0.00 -2.01 -0.49 0.00 -1.38 0.00 0.00 54.79 50.91 1pkg n ASP 792 Cb 0.00 -0.13 -0.05 0.00 -1.04 0.00 0.00 41.12 39.90 1pkg n ASP 792 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1pkg n LEU 793 N 0.23 3.22 -3.79 -2.67 7.94 -1.26 -4.77 117.00 115.90 1pkg n LEU 793 Ca -0.03 1.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.81 1pkg n LEU 793 Cb 1.00 -1.34 -0.02 0.00 0.53 0.00 0.00 43.42 43.59 1pkg n LEU 793 CO -0.06 -0.16 0.56 0.00 -1.11 0.00 0.00 177.39 176.62 1pkg s ALA 794 N 3.56 -1.40 0.37 1.96 0.00 -1.26 -4.66 121.76 120.32 1pkg s ALA 794 Ca 0.92 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1pkg s ALA 794 Cb -0.75 0.77 0.73 0.00 0.00 0.00 0.00 23.12 23.87 1pkg s ALA 794 CO 0.52 -1.02 1.86 0.00 0.00 0.00 0.00 175.76 177.12 1pkg h ALA 795 N 2.00 1.42 0.00 0.00 0.00 -1.91 -2.20 119.26 118.58 1pkg h ALA 795 Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pkg h ALA 795 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pkg h ALA 795 CO 0.25 0.41 0.00 0.07 0.00 0.00 0.00 179.25 179.98 1pkg h ARG 796 N 0.14 0.00 -0.33 0.00 0.11 -1.94 -2.59 114.38 109.76 1pkg h ARG 796 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1pkg h ARG 796 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1pkg h ARG 796 CO 0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.20 1pkg n ASN 797 N -2.56 4.26 -4.25 0.08 3.02 -0.83 -4.77 115.26 110.22 1pkg n ASN 797 Ca 0.03 -2.97 -0.34 0.00 -0.03 0.00 0.00 54.58 51.27 1pkg n ASN 797 Cb 0.34 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.79 1pkg n ASN 797 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pkg s ILE 798 N -2.76 2.80 0.41 2.41 1.01 -1.14 -0.14 121.20 123.80 1pkg s ILE 798 Ca 0.44 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1pkg s ILE 798 Cb 0.35 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1pkg s ILE 798 CO 0.11 0.49 0.62 -0.76 0.00 0.00 0.00 174.94 175.40 1pkg s LEU 799 N 1.18 3.78 -0.04 2.97 1.43 0.13 0.48 118.68 128.60 1pkg s LEU 799 Ca 0.02 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1pkg s LEU 799 Cb -0.14 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1pkg s LEU 799 CO -0.05 -0.56 0.03 -0.22 0.23 0.00 0.00 176.35 175.78 1pkg s LEU 800 N -4.46 0.67 0.00 1.79 2.96 -0.64 -0.85 118.68 118.15 1pkg s LEU 800 Ca 0.46 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1pkg s LEU 800 Cb -0.10 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1pkg s LEU 800 CO 0.37 -0.18 0.00 1.07 -1.32 0.00 0.00 176.35 176.29 1pkg n THR 801 N 4.75 0.00 -0.03 3.68 5.66 -0.15 -2.11 114.28 126.07 1pkg n THR 801 Ca -0.15 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.72 1pkg n THR 801 Cb 0.50 -0.57 -0.09 0.00 -1.55 0.00 0.00 70.33 68.62 1pkg n THR 801 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1pkg h HIS 802 N 0.11 0.16 0.00 1.09 2.76 -1.96 -3.30 115.15 114.02 1pkg h HIS 802 Ca 0.00 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.99 1pkg h HIS 802 Cb 0.00 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 1pkg h HIS 802 CO 0.00 0.66 -0.13 0.41 -1.30 0.00 0.00 177.93 177.56 1pkg n GLY 803 N 0.42 2.41 2.01 5.26 0.00 -1.26 -4.52 105.19 109.51 1pkg n GLY 803 Ca -0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 1pkg n GLY 803 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkg n ARG 804 N 2.51 -1.84 -3.12 1.61 5.12 -1.24 -4.90 116.66 114.80 1pkg n ARG 804 Ca 0.28 0.40 -0.40 0.00 -1.93 0.00 0.00 57.85 56.21 1pkg n ARG 804 Cb 0.64 -4.75 -0.05 0.00 -1.16 0.00 0.00 32.46 27.13 1pkg n ARG 804 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1pkg s ILE 805 N -2.00 5.05 -0.06 0.55 1.01 -1.24 -4.85 121.20 119.65 1pkg s ILE 805 Ca 0.00 1.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 1pkg s ILE 805 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1pkg s ILE 805 CO 0.00 0.19 0.07 0.42 0.00 0.00 0.00 174.94 175.62 1pkg s THR 806 N 1.35 4.78 -0.06 2.92 -4.23 -1.26 -0.98 115.64 118.15 1pkg s THR 806 Ca 0.31 -0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1pkg s THR 806 Cb -0.16 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 1pkg s THR 806 CO 0.13 0.51 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.96 1pkg s LYS 807 N -1.26 2.34 0.07 3.99 -0.14 -0.03 -4.21 119.74 120.51 1pkg s LYS 807 Ca 0.17 -0.78 -0.22 0.00 -1.36 0.00 0.00 55.97 53.78 1pkg s LYS 807 Cb -0.12 -1.95 -0.07 0.00 -1.68 0.00 0.00 37.83 34.01 1pkg s LYS 807 CO 0.07 0.29 0.65 0.42 -0.76 0.00 0.00 175.35 176.02 1pkg s ILE 808 N 0.02 4.69 0.00 2.17 1.01 0.47 0.18 121.20 129.74 1pkg s ILE 808 Ca -0.06 1.39 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1pkg s ILE 808 Cb -0.14 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1pkg s ILE 808 CO 0.04 0.49 0.00 0.00 0.00 0.00 0.00 174.94 175.47 1pkg n ASP 810 N -0.41 -6.36 -2.20 0.00 4.64 -1.26 -4.84 116.55 106.12 1pkg n ASP 810 Ca 0.00 0.07 -0.27 0.00 -1.38 0.00 0.00 54.79 53.21 1pkg n ASP 810 Cb 0.00 -2.97 0.13 0.00 -1.04 0.00 0.00 41.12 37.23 1pkg n ASP 810 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1pkg n PHE 811 N -0.27 2.93 0.17 -0.67 3.01 -1.26 -4.56 117.46 116.80 1pkg n PHE 811 Ca -0.02 -2.24 0.03 0.00 1.01 0.00 0.00 57.45 56.22 1pkg n PHE 811 Cb 0.61 -1.11 0.28 0.00 -0.01 0.00 0.00 39.48 39.24 1pkg n PHE 811 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1pkg h GLY 812 N 1.58 0.00 -1.06 1.37 0.00 -1.89 -3.23 103.07 99.84 1pkg h GLY 812 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1pkg h GLY 812 CO 1.23 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.81 1pkg n LEU 813 N -3.69 2.24 -4.76 3.11 4.77 -1.26 -4.77 117.00 112.63 1pkg n LEU 813 Ca -0.01 -1.23 -0.41 0.00 -0.03 0.00 0.00 56.01 54.33 1pkg n LEU 813 Cb 0.54 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1pkg n LEU 813 CO 0.39 0.46 0.93 0.00 -1.33 0.00 0.00 177.39 177.84 1pkg s ALA 814 N -1.00 3.48 0.17 -1.18 0.00 -1.07 -4.59 121.76 117.57 1pkg s ALA 814 Ca 0.17 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.30 1pkg s ALA 814 Cb 0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1pkg s ALA 814 CO 0.16 -0.49 -0.07 1.03 0.00 0.00 0.00 175.76 176.38 1pkg s ARG 815 N -1.29 1.15 -0.15 0.00 1.81 -0.92 -4.99 118.95 114.58 1pkg s ARG 815 Ca 0.50 -1.52 -0.14 0.00 -1.72 0.00 0.00 55.73 52.84 1pkg s ARG 815 Cb -0.37 -0.64 -0.05 0.00 -0.45 0.00 0.00 34.95 33.45 1pkg s ARG 815 CO 0.46 0.03 0.31 0.34 -0.68 0.00 0.00 175.30 175.76 1pkg s ASP 816 N -3.21 6.47 0.00 0.23 -1.08 -1.26 -1.39 116.67 116.42 1pkg s ASP 816 Ca 0.20 0.56 0.10 0.00 -0.52 0.00 0.00 52.55 52.89 1pkg s ASP 816 Cb 0.03 -2.19 0.08 0.00 -1.46 0.00 0.00 42.92 39.39 1pkg s ASP 816 CO 0.03 0.12 0.82 -0.38 0.52 0.00 0.00 175.17 176.28 1pkg n ILE 817 N 3.41 0.03 -0.26 4.11 5.41 0.97 -4.65 119.36 128.37 1pkg n ILE 817 Ca -0.12 -0.52 0.05 0.00 1.00 0.00 0.00 62.75 63.17 1pkg n ILE 817 Cb 0.52 1.18 0.19 0.00 -0.71 0.00 0.00 39.64 40.82 1pkg n ILE 817 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1pkg h LYS 818 N 1.89 0.51 -0.39 0.38 1.63 -1.92 -2.73 116.57 115.94 1pkg h LYS 818 Ca 0.00 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1pkg h LYS 818 Cb 0.41 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 1pkg h LYS 818 CO 0.00 0.33 0.12 -0.97 -3.45 0.00 0.00 179.45 175.48 1pkg h ASN 819 N 0.52 0.10 0.00 4.20 -0.00 -1.95 -3.42 115.58 115.03 1pkg h ASN 819 Ca 0.42 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.77 1pkg h ASN 819 Cb 0.59 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.95 1pkg h ASN 819 CO -0.37 0.09 0.00 0.47 -0.00 0.00 0.00 177.43 177.63 1pkg n ASP 820 N -5.04 0.00 0.06 1.15 9.92 -1.05 -5.07 116.55 116.52 1pkg n ASP 820 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1pkg n ASP 820 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1pkg n ASP 820 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1pkg n SER 821 N 0.00 -1.03 -4.13 -2.24 2.88 -1.08 -5.02 113.62 103.00 1pkg n SER 821 Ca 0.00 0.35 -0.04 0.00 -1.33 0.00 0.00 58.87 57.85 1pkg n SER 821 Cb 0.00 1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 64.63 1pkg n SER 821 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pkg n ASN 822 N -2.58 -1.16 -4.67 -3.46 3.02 -1.26 -4.75 115.26 100.39 1pkg n ASN 822 Ca 0.00 -1.65 -0.42 0.00 -0.03 0.00 0.00 54.58 52.49 1pkg n ASN 822 Cb 0.00 -0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.28 1pkg n ASN 822 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pkg s TYR 823 N 4.28 3.40 -0.20 3.10 5.04 -0.86 -4.92 117.35 127.19 1pkg s TYR 823 Ca 0.20 1.26 -0.08 0.00 -2.44 0.00 0.00 57.07 56.01 1pkg s TYR 823 Cb -0.01 -3.04 -0.04 0.00 0.35 0.00 0.00 41.96 39.22 1pkg s TYR 823 CO 0.05 -0.27 0.08 0.08 -1.34 0.00 0.00 175.55 174.14 1pkg s VAL 824 N 2.29 4.81 -0.37 3.14 1.01 -1.26 -1.01 120.40 129.02 1pkg s VAL 824 Ca 0.38 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1pkg s VAL 824 Cb -0.16 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1pkg s VAL 824 CO 0.11 0.42 1.13 0.54 0.00 0.00 0.00 175.10 177.31 1pkg s VAL 825 N 0.69 4.35 -0.05 2.92 0.11 -0.98 -4.91 120.40 122.53 1pkg s VAL 825 Ca 0.04 1.50 -0.13 0.00 -2.93 0.00 0.00 61.98 60.46 1pkg s VAL 825 Cb -0.13 -4.43 -0.31 0.00 -1.53 0.00 0.00 36.38 29.97 1pkg s VAL 825 CO 0.02 -0.65 0.71 0.50 -3.33 0.00 0.00 175.10 172.35 1pkg h LYS 826 N 8.66 0.39 0.00 1.54 3.64 -1.97 -3.43 116.57 125.40 1pkg h LYS 826 Ca -0.22 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.49 1pkg h LYS 826 Cb 1.07 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1pkg h LYS 826 CO 1.06 1.32 0.00 0.78 -2.27 0.00 0.00 179.45 180.34 1pkg h GLY 827 N 0.42 0.00 -4.88 5.01 0.00 -2.03 -3.47 103.07 98.11 1pkg h GLY 827 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1pkg h GLY 827 CO 0.17 0.00 -0.31 -2.01 0.00 0.00 0.00 176.54 174.39 1pkg n ASN 828 N -2.76 -6.85 -0.09 0.19 5.15 -1.26 -5.03 115.26 104.61 1pkg n ASN 828 Ca 0.01 0.33 -0.21 0.00 -0.60 0.00 0.00 54.58 54.10 1pkg n ASN 828 Cb 0.24 -4.59 -0.12 0.00 -0.53 0.00 0.00 39.78 34.78 1pkg n ASN 828 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pkg n ALA 829 N -0.64 1.17 -1.42 5.20 0.00 -1.26 -5.07 120.51 118.49 1pkg n ALA 829 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1pkg n ALA 829 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1pkg n ALA 829 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pkg n ARG 830 N -3.58 0.00 -4.51 0.00 0.63 -1.26 -5.13 116.66 102.80 1pkg n ARG 830 Ca -0.42 0.47 -0.24 0.00 -0.92 0.00 0.00 57.85 56.74 1pkg n ARG 830 Cb 0.96 -1.04 -0.11 0.00 0.45 0.00 0.00 32.46 32.73 1pkg n ARG 830 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1pkg s LEU 831 N -0.19 2.59 -1.43 6.15 1.43 -1.26 -5.04 118.68 120.93 1pkg s LEU 831 Ca 0.00 -1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 1pkg s LEU 831 Cb 0.00 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.54 1pkg s LEU 831 CO 0.00 -0.40 2.37 -0.81 0.23 0.00 0.00 176.35 177.74 1pkg n PRO 832 N -0.76 3.70 -0.27 1.29 -0.04 -1.26 -4.81 135.00 132.84 1pkg n PRO 832 Ca -0.05 -2.94 0.09 0.00 -0.04 0.00 0.00 63.50 60.56 1pkg n PRO 832 Cb 0.65 -2.91 0.22 0.00 -0.04 0.00 0.00 33.50 31.42 1pkg n PRO 832 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pkg h VAL 833 N 3.33 0.38 0.00 0.52 2.07 -1.96 0.33 116.25 120.92 1pkg h VAL 833 Ca 0.64 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 68.09 1pkg h VAL 833 Cb 0.46 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1pkg h VAL 833 CO 1.70 0.04 0.00 0.29 0.02 0.00 0.00 177.57 179.61 1pkg n LYS 834 N -5.24 0.11 -0.10 1.57 5.02 -1.26 -0.06 118.16 118.20 1pkg n LYS 834 Ca 0.17 0.50 0.12 0.00 -2.02 0.00 0.00 58.31 57.08 1pkg n LYS 834 Cb 0.56 -1.79 0.16 0.00 -0.02 0.00 0.00 35.03 33.93 1pkg n LYS 834 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1pkg n TRP 835 N -2.01 0.25 -3.55 2.13 8.01 0.10 -4.97 117.44 117.40 1pkg n TRP 835 Ca 0.01 -0.13 -0.38 0.00 -1.31 0.00 0.00 57.50 55.69 1pkg n TRP 835 Cb 0.10 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 1pkg n TRP 835 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1pkg s MET 836 N -1.69 3.91 0.49 -0.99 -1.94 0.91 -3.92 119.30 116.07 1pkg s MET 836 Ca 0.33 0.29 -0.22 0.00 -1.71 0.00 0.00 55.69 54.38 1pkg s MET 836 Cb 0.21 -3.26 -0.07 0.00 2.01 0.00 0.00 34.83 33.72 1pkg s MET 836 CO 0.30 0.61 1.14 0.00 -0.01 0.00 0.00 175.02 177.07 1pkg s ALA 837 N -0.76 2.88 0.29 3.03 0.00 -1.26 -4.89 121.76 121.04 1pkg s ALA 837 Ca 0.22 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1pkg s ALA 837 Cb -0.15 -3.36 0.42 0.00 0.00 0.00 0.00 23.12 20.03 1pkg s ALA 837 CO 0.10 -0.65 1.94 -1.00 0.00 0.00 0.00 175.76 176.15 1pkg h PRO 838 N 1.76 1.12 0.00 0.00 0.13 -1.94 -1.04 132.00 132.03 1pkg h PRO 838 Ca -0.50 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1pkg h PRO 838 Cb 1.25 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1pkg h PRO 838 CO 0.59 0.74 -0.01 1.05 -0.23 0.00 0.00 178.00 180.15 1pkg h GLU 839 N 1.16 0.00 0.03 0.86 9.09 -1.89 -0.71 114.58 123.12 1pkg h GLU 839 Ca 0.35 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.46 1pkg h GLU 839 Cb -0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.03 1pkg h GLU 839 CO -0.09 0.01 -1.63 0.77 0.05 0.00 0.00 179.01 178.11 1pkg h SER 840 N 0.00 0.10 -0.09 3.06 0.02 -1.19 -2.08 113.55 113.37 1pkg h SER 840 Ca -0.00 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1pkg h SER 840 Cb 0.06 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1pkg h SER 840 CO 0.00 1.17 -0.10 0.40 -1.14 0.00 0.00 176.83 177.15 1pkg h ILE 841 N 0.02 1.37 0.06 3.27 2.04 -1.05 -2.91 117.51 120.31 1pkg h ILE 841 Ca -0.26 -1.29 -0.35 0.00 1.00 0.00 0.00 64.86 63.96 1pkg h ILE 841 Cb 1.99 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 40.04 1pkg h ILE 841 CO 0.10 0.36 -2.06 0.49 0.00 0.00 0.00 178.15 177.04 1pkg n PHE 842 N -4.65 0.83 -0.19 1.37 3.01 -0.37 -4.29 117.46 113.16 1pkg n PHE 842 Ca -0.07 0.21 0.03 0.00 1.01 0.00 0.00 57.45 58.64 1pkg n PHE 842 Cb 0.33 -1.12 0.08 0.00 -0.01 0.00 0.00 39.48 38.76 1pkg n PHE 842 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pkg n ASN 843 N -3.26 2.49 -2.75 4.37 3.02 -0.80 -5.00 115.26 113.32 1pkg n ASN 843 Ca -0.31 -2.13 -0.15 0.00 -0.03 0.00 0.00 54.58 51.97 1pkg n ASN 843 Cb 1.05 -0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1pkg n ASN 843 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkg s VAL 845 N -2.65 2.73 -0.04 0.00 0.11 -1.09 -2.31 120.40 117.14 1pkg s VAL 845 Ca 0.13 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1pkg s VAL 845 Cb -0.07 -2.16 -0.03 0.00 -1.53 0.00 0.00 36.38 32.58 1pkg s VAL 845 CO 0.16 0.51 -0.02 -0.31 -3.33 0.00 0.00 175.10 172.11 1pkg s TYR 846 N 0.91 3.05 0.31 1.54 1.51 -0.18 -3.32 117.35 121.16 1pkg s TYR 846 Ca -0.03 0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 1pkg s TYR 846 Cb -0.15 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1pkg s TYR 846 CO -0.01 0.43 0.21 0.25 -1.11 0.00 0.00 175.55 175.32 1pkg n THR 847 N 1.76 0.00 -0.25 -0.71 -2.24 -1.26 -2.02 114.28 109.56 1pkg n THR 847 Ca -0.16 -2.09 -0.00 0.00 -2.27 0.00 0.00 64.05 59.53 1pkg n THR 847 Cb 0.53 0.96 0.22 0.00 -2.10 0.00 0.00 70.33 69.94 1pkg n THR 847 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1pkg h PHE 848 N 1.82 1.01 -0.20 4.78 0.04 -1.94 -2.00 116.94 120.44 1pkg h PHE 848 Ca -0.22 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1pkg h PHE 848 Cb 1.04 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1pkg h PHE 848 CO 0.00 0.64 0.00 -0.85 -0.60 0.00 0.00 178.31 177.50 1pkg n GLU 849 N -4.41 1.48 0.01 1.51 0.00 -1.26 -3.26 120.64 114.71 1pkg n GLU 849 Ca 0.09 -0.75 0.05 0.00 0.00 0.00 0.00 57.16 56.55 1pkg n GLU 849 Cb 0.03 -1.18 -0.11 0.00 0.00 0.00 0.00 31.44 30.17 1pkg n GLU 849 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1pkg n SER 850 N 0.10 0.36 0.10 -1.84 2.88 -0.75 -3.30 113.62 111.16 1pkg n SER 850 Ca 0.08 0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.74 1pkg n SER 850 Cb 0.18 1.12 0.21 0.00 -0.75 0.00 0.00 64.21 64.98 1pkg n SER 850 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1pkg h ASP 851 N 0.00 0.22 -0.46 -3.46 3.45 -1.62 -3.02 116.42 111.54 1pkg h ASP 851 Ca -0.13 -0.10 0.05 0.00 0.43 0.00 0.00 57.03 57.29 1pkg h ASP 851 Cb 1.34 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.99 1pkg h ASP 851 CO 0.01 0.65 0.18 0.58 -1.57 0.00 0.00 179.24 179.10 1pkg h VAL 852 N 0.17 0.88 -0.26 -1.35 2.07 -1.63 0.53 116.25 116.67 1pkg h VAL 852 Ca 0.01 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1pkg h VAL 852 Cb 0.87 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1pkg h VAL 852 CO 0.07 0.07 -0.21 -0.25 0.02 0.00 0.00 177.57 177.27 1pkg h TRP 853 N 0.37 -0.54 -0.63 1.57 2.91 -1.52 -1.93 115.95 116.18 1pkg h TRP 853 Ca 0.21 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.23 1pkg h TRP 853 Cb 0.19 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1pkg h TRP 853 CO -0.14 -0.29 0.22 0.77 -1.03 0.00 0.00 178.44 177.97 1pkg h SER 854 N -0.20 0.90 -1.12 2.65 0.02 -1.18 0.14 113.55 114.76 1pkg h SER 854 Ca 0.14 -0.19 0.31 0.00 -0.84 0.00 0.00 61.79 61.21 1pkg h SER 854 Cb 0.42 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 1pkg h SER 854 CO -0.38 0.85 0.75 0.22 -1.14 0.00 0.00 176.83 177.14 1pkg h TYR 855 N 0.89 0.41 0.44 3.45 3.20 -0.66 -0.30 116.97 124.40 1pkg h TYR 855 Ca 0.20 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1pkg h TYR 855 Cb 0.26 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1pkg h TYR 855 CO 0.02 0.01 -0.21 0.78 -1.64 0.00 0.00 178.16 177.12 1pkg h GLY 856 N 0.22 -0.62 1.09 1.82 0.00 0.08 0.28 103.07 105.95 1pkg h GLY 856 Ca 0.60 0.23 0.05 0.00 0.00 0.00 0.00 47.33 48.21 1pkg h GLY 856 CO -0.20 -0.22 0.41 -2.22 0.00 0.00 0.00 176.54 174.30 1pkg h ILE 857 N -0.83 0.14 0.14 2.60 1.08 -0.83 0.64 117.51 120.45 1pkg h ILE 857 Ca -0.06 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.08 1pkg h ILE 857 Cb 0.56 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1pkg h ILE 857 CO 0.10 0.00 -1.67 0.15 -0.69 0.00 0.00 178.15 176.04 1pkg h PHE 858 N 0.00 0.53 -0.64 1.37 3.57 -0.82 -1.33 116.94 119.62 1pkg h PHE 858 Ca 0.08 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 1pkg h PHE 858 Cb 0.89 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1pkg h PHE 858 CO 0.00 1.51 0.33 -0.07 -2.23 0.00 0.00 178.31 177.85 1pkg h LEU 859 N 0.08 0.79 -0.71 0.59 3.38 0.46 0.05 115.31 119.95 1pkg h LEU 859 Ca -0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1pkg h LEU 859 Cb 2.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 1pkg h LEU 859 CO 0.16 0.65 0.46 -0.25 0.09 0.00 0.00 178.44 179.55 1pkg h TRP 860 N 0.89 0.91 -0.37 1.13 7.01 -0.89 -2.08 115.95 122.55 1pkg h TRP 860 Ca 0.22 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.12 1pkg h TRP 860 Cb 0.04 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 1pkg h TRP 860 CO 0.01 0.59 -0.27 0.93 -2.79 0.00 0.00 178.44 176.90 1pkg h GLU 861 N 0.97 0.77 -0.30 2.65 5.08 -0.72 -2.73 114.58 120.31 1pkg h GLU 861 Ca 0.26 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1pkg h GLU 861 Cb -0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1pkg h GLU 861 CO -0.05 0.95 0.14 1.25 -1.00 0.00 0.00 179.01 180.30 1pkg h LEU 862 N 0.66 0.39 0.00 1.33 5.85 -0.78 0.67 115.31 123.43 1pkg h LEU 862 Ca 0.08 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pkg h LEU 862 Cb 0.79 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1pkg h LEU 862 CO 0.07 0.41 -0.83 0.49 -0.34 0.00 0.00 178.44 178.24 1pkg n PHE 863 N -4.78 0.17 1.02 1.25 3.01 -0.80 -2.77 117.46 114.56 1pkg n PHE 863 Ca -0.02 0.05 0.07 0.00 1.01 0.00 0.00 57.45 58.56 1pkg n PHE 863 Cb 0.11 -0.34 0.22 0.00 -0.01 0.00 0.00 39.48 39.46 1pkg n PHE 863 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pkg n SER 864 N -1.77 1.75 -3.58 4.37 3.41 -1.03 -3.70 113.62 113.07 1pkg n SER 864 Ca 0.03 -1.91 -0.27 0.00 -0.26 0.00 0.00 58.87 56.47 1pkg n SER 864 Cb 0.39 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1pkg n SER 864 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pkg n LEU 865 N 0.43 -2.31 0.00 1.04 4.77 -1.12 -3.69 117.00 116.13 1pkg n LEU 865 Ca 0.13 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1pkg n LEU 865 Cb 0.30 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 1pkg n LEU 865 CO 0.09 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1pkg n GLY 866 N -1.52 1.47 3.79 -0.72 0.00 0.22 -4.16 105.19 104.27 1pkg n GLY 866 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1pkg n GLY 866 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pkg s SER 867 N -2.00 5.53 0.27 1.61 0.15 -1.24 -4.87 113.70 113.15 1pkg s SER 867 Ca 0.00 1.87 -0.30 0.00 0.70 0.00 0.00 55.95 58.22 1pkg s SER 867 Cb 0.00 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 1pkg s SER 867 CO 0.00 -1.34 1.07 -0.55 1.20 0.00 0.00 173.24 173.62 1pkg s SER 868 N -2.77 7.35 0.37 5.45 0.15 -1.26 -4.71 113.70 118.28 1pkg s SER 868 Ca 0.64 2.19 -0.27 0.00 0.70 0.00 0.00 55.95 59.22 1pkg s SER 868 Cb -0.17 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.42 1pkg s SER 868 CO 0.39 -0.08 1.22 -2.84 1.20 0.00 0.00 173.24 173.13 1pkg s PRO 869 N -1.33 4.17 -0.90 5.44 0.02 -1.26 -3.62 135.00 137.53 1pkg s PRO 869 Ca 0.44 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.37 1pkg s PRO 869 Cb -0.31 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1pkg s PRO 869 CO 0.39 -0.26 0.65 0.66 -0.33 0.00 0.00 177.00 178.11 1pkg n TYR 870 N 0.37 -2.12 -2.20 6.54 4.02 -1.26 -4.81 117.16 117.71 1pkg n TYR 870 Ca 0.03 0.75 -0.42 0.00 -0.01 0.00 0.00 57.90 58.24 1pkg n TYR 870 Cb 0.45 -3.10 -0.03 0.00 -0.02 0.00 0.00 39.34 36.64 1pkg n TYR 870 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1pkg s PRO 871 N -5.03 4.28 0.00 -0.72 0.04 -1.24 -1.91 135.00 130.43 1pkg s PRO 871 Ca 0.12 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1pkg s PRO 871 Cb -0.06 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1pkg s PRO 871 CO 0.88 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1pkg n GLY 872 N 3.64 0.33 3.48 0.56 0.00 -1.26 -5.01 105.19 106.93 1pkg n GLY 872 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1pkg n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pkg s MET 873 N -0.92 3.17 0.55 1.61 0.00 -0.80 -5.06 119.30 117.86 1pkg s MET 873 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 55.69 54.84 1pkg s MET 873 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 34.83 30.77 1pkg s MET 873 CO 0.00 -1.05 1.17 -1.25 0.00 0.00 0.00 175.02 173.89 1pkg s PRO 874 N 2.59 3.24 -0.54 4.11 0.04 -1.26 -4.97 135.00 138.21 1pkg s PRO 874 Ca 0.17 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 1pkg s PRO 874 Cb -0.17 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1pkg s PRO 874 CO 0.15 -0.97 0.94 0.08 0.04 0.00 0.00 177.00 177.25 1pkg s VAL 875 N -1.67 4.39 0.01 -0.36 1.01 -1.26 -4.44 120.40 118.09 1pkg s VAL 875 Ca 0.74 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 1pkg s VAL 875 Cb -0.27 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1pkg s VAL 875 CO 0.31 -1.08 0.02 -0.90 0.00 0.00 0.00 175.10 173.45 1pkg n ASP 876 N 7.44 -0.07 -0.35 3.32 3.85 -1.26 -5.00 116.55 124.48 1pkg n ASP 876 Ca 0.02 -1.07 0.31 0.00 -0.71 0.00 0.00 54.79 53.34 1pkg n ASP 876 Cb 0.48 0.12 0.63 0.00 -1.35 0.00 0.00 41.12 41.00 1pkg n ASP 876 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1pkg h SER 877 N 0.08 0.23 -0.10 -1.12 4.64 -1.99 0.51 113.55 115.80 1pkg h SER 877 Ca -0.01 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 1pkg h SER 877 Cb 0.05 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1pkg h SER 877 CO 0.02 0.01 -0.42 0.11 -0.87 0.00 0.00 176.83 175.68 1pkg h LYS 878 N 0.18 0.64 -0.13 4.77 1.57 -1.96 -1.13 116.57 120.52 1pkg h LYS 878 Ca 0.62 -0.34 -0.23 0.00 -1.87 0.00 0.00 60.65 58.83 1pkg h LYS 878 Cb 2.02 0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.35 1pkg h LYS 878 CO -0.19 0.94 -0.80 0.35 -0.57 0.00 0.00 179.45 179.19 1pkg h PHE 879 N 0.52 1.06 -0.74 -1.35 3.04 -1.17 -2.81 116.94 115.49 1pkg h PHE 879 Ca 0.04 -0.48 -0.06 0.00 3.98 0.00 0.00 57.97 61.44 1pkg h PHE 879 Cb 0.95 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 1pkg h PHE 879 CO 0.04 1.32 0.21 1.88 -2.02 0.00 0.00 178.31 179.74 1pkg h TYR 880 N 0.50 1.21 -0.13 0.41 0.99 -1.03 -2.61 116.97 116.31 1pkg h TYR 880 Ca -0.06 -0.13 -0.15 0.00 2.00 0.00 0.00 58.73 60.38 1pkg h TYR 880 Cb 1.44 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 38.81 1pkg h TYR 880 CO 0.09 0.96 -0.57 -0.22 -0.00 0.00 0.00 178.16 178.42 1pkg h LYS 881 N 1.11 0.42 0.00 4.88 3.64 -1.28 -1.66 116.57 123.68 1pkg h LYS 881 Ca 0.23 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1pkg h LYS 881 Cb 0.34 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1pkg h LYS 881 CO -0.00 0.87 -0.53 0.00 -2.27 0.00 0.00 179.45 177.52 1pkg h MET 882 N 0.32 0.00 0.10 1.90 -0.00 -1.25 -1.71 114.93 114.28 1pkg h MET 882 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.70 1pkg h MET 882 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1pkg h MET 882 CO 0.10 0.53 -0.05 0.82 -0.00 0.00 0.00 176.91 178.30 1pkg h ILE 883 N 0.00 1.07 0.30 -0.10 1.08 -1.24 0.36 117.51 118.99 1pkg h ILE 883 Ca -0.01 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1pkg h ILE 883 Cb 0.97 1.52 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1pkg h ILE 883 CO 0.07 0.17 -0.17 0.50 -0.69 0.00 0.00 178.15 178.03 1pkg h LYS 884 N -0.47 -0.43 0.00 2.37 1.63 -1.21 -1.09 116.57 117.37 1pkg h LYS 884 Ca -0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1pkg h LYS 884 Cb 0.39 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1pkg h LYS 884 CO 0.02 -0.29 0.00 0.39 -3.45 0.00 0.00 179.45 176.12 1pkg n GLU 885 N -5.30 0.18 -0.18 1.90 1.02 -0.65 -4.81 120.64 112.80 1pkg n GLU 885 Ca -0.10 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1pkg n GLU 885 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1pkg n GLU 885 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pkg n GLY 886 N -0.62 0.91 3.78 0.62 0.00 -0.41 -5.06 105.19 104.41 1pkg n GLY 886 Ca 0.05 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1pkg n GLY 886 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pkg s PHE 887 N -2.00 3.52 0.18 1.61 0.40 0.10 -5.01 117.98 116.77 1pkg s PHE 887 Ca 0.00 1.72 -0.03 0.00 -0.60 0.00 0.00 56.93 58.02 1pkg s PHE 887 Cb 0.00 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1pkg s PHE 887 CO 0.00 -0.12 0.16 1.03 0.70 0.00 0.00 175.22 176.99 1pkg s ARG 888 N -2.27 1.13 0.57 0.44 1.81 -1.26 -4.50 118.95 114.87 1pkg s ARG 888 Ca 0.53 -1.47 -0.19 0.00 -1.72 0.00 0.00 55.73 52.89 1pkg s ARG 888 Cb -0.19 0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 1pkg s ARG 888 CO 0.25 -0.37 1.13 -1.64 -0.68 0.00 0.00 175.30 173.99 1pkg s MET 889 N -4.08 3.22 0.56 3.54 -1.94 -1.26 -5.05 119.30 114.29 1pkg s MET 889 Ca 0.29 1.59 -0.13 0.00 -1.71 0.00 0.00 55.69 55.73 1pkg s MET 889 Cb 0.06 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 1pkg s MET 889 CO 0.07 -0.95 0.99 -0.51 -0.01 0.00 0.00 175.02 174.61 1pkg s LEU 890 N -4.01 3.45 0.07 -0.03 1.02 -1.26 -4.99 118.68 112.92 1pkg s LEU 890 Ca 0.72 1.47 -0.37 0.00 0.02 0.00 0.00 54.13 55.97 1pkg s LEU 890 Cb -0.24 -4.46 -0.17 0.00 0.02 0.00 0.00 46.19 41.34 1pkg s LEU 890 CO 0.30 -0.71 1.25 -0.24 0.02 0.00 0.00 176.35 176.97 1pkg n SER 891 N -2.14 1.18 -4.76 2.29 2.88 -1.26 -4.95 113.62 106.86 1pkg n SER 891 Ca 0.06 1.13 -0.39 0.00 -1.33 0.00 0.00 58.87 58.34 1pkg n SER 891 Cb 0.54 -1.12 0.02 0.00 -0.75 0.00 0.00 64.21 62.90 1pkg n SER 891 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1pkg s PRO 892 N 0.30 3.54 0.02 -1.46 0.02 -1.26 -4.89 135.00 131.26 1pkg s PRO 892 Ca 0.85 2.33 0.01 0.00 0.02 0.00 0.00 61.00 64.22 1pkg s PRO 892 Cb -1.03 -2.53 0.07 0.00 0.02 0.00 0.00 34.50 31.03 1pkg s PRO 892 CO 0.50 -0.91 1.02 -0.85 -0.33 0.00 0.00 177.00 176.43 1pkg n GLU 893 N -0.44 0.01 0.00 5.54 0.28 -1.26 -1.38 120.64 123.39 1pkg n GLU 893 Ca 0.07 0.49 0.04 0.00 -0.16 0.00 0.00 57.16 57.60 1pkg n GLU 893 Cb 0.43 -1.55 -0.03 0.00 1.43 0.00 0.00 31.44 31.72 1pkg n GLU 893 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1pkg n HIS 894 N -1.53 0.00 -2.29 -1.84 8.25 -1.24 -4.98 115.22 111.59 1pkg n HIS 894 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1pkg n HIS 894 Cb 0.02 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1pkg n HIS 894 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pkg s ALA 895 N -1.59 3.48 0.71 -1.41 0.00 -0.48 -5.01 121.76 117.47 1pkg s ALA 895 Ca 0.05 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 1pkg s ALA 895 Cb 0.07 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1pkg s ALA 895 CO 0.30 -0.47 1.07 -2.14 0.00 0.00 0.00 175.76 174.52 1pkg s PRO 896 N 0.00 2.79 0.20 0.00 0.02 -1.26 -4.88 135.00 131.87 1pkg s PRO 896 Ca 0.56 0.87 -0.10 0.00 0.02 0.00 0.00 61.00 62.34 1pkg s PRO 896 Cb -0.34 -1.98 0.25 0.00 0.02 0.00 0.00 34.50 32.45 1pkg s PRO 896 CO 0.36 -1.18 1.73 0.00 -0.33 0.00 0.00 177.00 177.58 1pkg h ALA 897 N -0.78 0.71 0.00 -1.55 0.00 -1.99 -2.64 119.26 113.02 1pkg h ALA 897 Ca -0.44 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1pkg h ALA 897 Cb 1.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1pkg h ALA 897 CO 0.58 -0.24 -0.22 0.93 0.00 0.00 0.00 179.25 180.31 1pkg h GLU 898 N 0.35 0.00 0.07 0.00 4.39 -1.98 0.19 114.58 117.59 1pkg h GLU 898 Ca 0.29 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.71 1pkg h GLU 898 Cb 0.37 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1pkg h GLU 898 CO -0.32 0.22 -1.15 0.52 -1.16 0.00 0.00 179.01 177.12 1pkg h MET 899 N 0.00 0.60 -0.18 2.33 2.86 -1.87 -1.89 114.93 116.78 1pkg h MET 899 Ca -0.00 -0.73 -0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1pkg h MET 899 Cb 0.43 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1pkg h MET 899 CO 0.03 1.32 0.10 -0.92 1.06 0.00 0.00 176.91 178.49 1pkg h TYR 900 N 0.29 0.24 -0.58 -0.22 3.20 -1.12 -1.72 116.97 117.07 1pkg h TYR 900 Ca -0.15 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.83 1pkg h TYR 900 Cb 1.81 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.90 1pkg h TYR 900 CO 0.10 0.23 -0.05 -0.44 -1.64 0.00 0.00 178.16 176.36 1pkg h ASP 901 N 0.18 -0.35 0.82 -2.11 3.32 -0.98 -0.50 116.42 116.81 1pkg h ASP 901 Ca 0.06 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1pkg h ASP 901 Cb 0.07 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1pkg h ASP 901 CO -0.01 -0.13 -0.48 0.40 -1.72 0.00 0.00 179.24 177.30 1pkg h ILE 902 N 0.07 0.00 -0.55 0.35 2.04 -1.14 -1.65 117.51 116.63 1pkg h ILE 902 Ca 0.29 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 1pkg h ILE 902 Cb 0.46 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 1pkg h ILE 902 CO -0.53 0.00 -0.32 0.23 0.00 0.00 0.00 178.15 177.53 1pkg n MET 903 N -5.52 -0.24 0.01 2.37 2.81 -0.67 0.13 117.12 116.01 1pkg n MET 903 Ca -0.15 0.95 -0.10 0.00 -1.81 0.00 0.00 57.70 56.60 1pkg n MET 903 Cb 0.50 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 1pkg n MET 903 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1pkg h LYS 904 N 0.00 -0.22 -0.52 0.03 1.57 -0.89 0.21 116.57 116.75 1pkg h LYS 904 Ca 0.09 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1pkg h LYS 904 Cb 0.23 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1pkg h LYS 904 CO -0.52 -0.15 0.34 1.79 -0.57 0.00 0.00 179.45 180.35 1pkg h THR 905 N -0.23 1.08 -0.03 -0.16 1.35 -0.06 0.65 112.91 115.51 1pkg h THR 905 Ca 0.09 -0.21 0.01 0.00 -0.55 0.00 0.00 66.41 65.75 1pkg h THR 905 Cb 0.36 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1pkg h THR 905 CO -0.24 0.11 0.03 0.00 -0.25 0.00 0.00 175.52 175.17 1pkg n TRP 907 N -4.21 0.75 -1.66 0.00 8.01 0.22 -3.89 117.44 116.65 1pkg n TRP 907 Ca -0.02 -0.35 -0.45 0.00 -1.31 0.00 0.00 57.50 55.37 1pkg n TRP 907 Cb 0.12 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.35 1pkg n TRP 907 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1pkg n ASP 908 N 0.89 2.51 0.06 -0.99 2.03 -1.01 -4.90 116.55 115.15 1pkg n ASP 908 Ca 0.17 1.16 -0.12 0.00 0.52 0.00 0.00 54.79 56.52 1pkg n ASP 908 Cb 0.47 -1.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.40 1pkg n ASP 908 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pkg h ALA 909 N 3.64 -0.11 -1.79 -1.67 0.00 -1.93 -3.39 119.26 114.02 1pkg h ALA 909 Ca -0.45 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 53.86 1pkg h ALA 909 Cb 1.29 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pkg h ALA 909 CO 0.71 -0.58 1.50 -3.47 0.00 0.00 0.00 179.25 177.42 1pkg n ASP 910 N -5.18 2.98 -0.34 0.00 -0.08 -1.26 -4.86 116.55 107.81 1pkg n ASP 910 Ca -0.07 0.18 0.14 0.00 -1.51 0.00 0.00 54.79 53.53 1pkg n ASP 910 Cb 0.11 -1.51 0.35 0.00 2.34 0.00 0.00 41.12 42.42 1pkg n ASP 910 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pkg h PRO 911 N 15.01 0.69 0.00 -0.67 0.11 -1.96 -2.33 132.00 142.85 1pkg h PRO 911 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1pkg h PRO 911 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pkg h PRO 911 CO 0.99 0.45 0.00 1.28 -0.21 0.00 0.00 178.00 180.51 1pkg n LEU 912 N -4.72 0.00 -0.00 2.35 4.77 -1.26 -2.86 117.00 115.28 1pkg n LEU 912 Ca 0.23 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1pkg n LEU 912 Cb 0.60 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1pkg n LEU 912 CO 0.23 0.00 -0.59 0.29 -1.33 0.00 0.00 177.39 175.99 1pkg n LYS 913 N -0.92 0.52 -1.90 3.23 5.02 -0.88 -4.98 118.16 118.25 1pkg n LYS 913 Ca 0.18 -0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 55.96 1pkg n LYS 913 Cb 0.08 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1pkg n LYS 913 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pkg s ARG 914 N -3.41 2.94 0.52 1.97 0.52 -1.13 -4.96 118.95 115.40 1pkg s ARG 914 Ca -0.04 1.98 -0.14 0.00 -0.52 0.00 0.00 55.73 57.00 1pkg s ARG 914 Cb 0.14 -2.01 -0.07 0.00 0.52 0.00 0.00 34.95 33.54 1pkg s ARG 914 CO 0.90 -1.27 0.96 -1.25 0.02 0.00 0.00 175.30 174.66 1pkg s PRO 915 N -3.21 3.84 0.40 3.54 0.04 -1.26 -5.04 135.00 133.31 1pkg s PRO 915 Ca 0.77 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 1pkg s PRO 915 Cb -0.35 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 1pkg s PRO 915 CO 0.38 -0.30 0.76 0.95 0.04 0.00 0.00 177.00 178.83 1pkg s THR 916 N -2.71 4.80 0.44 1.26 -4.23 -1.26 -4.87 115.64 109.07 1pkg s THR 916 Ca 0.57 0.58 0.14 0.00 -1.18 0.00 0.00 61.69 61.80 1pkg s THR 916 Cb -0.10 -3.73 0.32 0.00 1.34 0.00 0.00 72.50 70.33 1pkg s THR 916 CO 0.36 -0.51 1.99 -0.26 -0.54 0.00 0.00 174.62 175.67 1pkg h PHE 917 N 1.28 0.41 -0.52 3.99 0.04 -1.92 0.35 116.94 120.57 1pkg h PHE 917 Ca -0.47 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.41 1pkg h PHE 917 Cb 1.19 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 39.12 1pkg h PHE 917 CO 0.60 0.20 0.06 -0.22 -0.60 0.00 0.00 178.31 178.36 1pkg h LYS 918 N 0.39 0.18 -0.06 1.51 3.64 -1.90 0.78 116.57 121.12 1pkg h LYS 918 Ca 0.25 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1pkg h LYS 918 Cb 0.48 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1pkg h LYS 918 CO -0.07 0.12 -0.50 1.96 -2.27 0.00 0.00 179.45 178.69 1pkg h GLN 919 N 0.18 0.15 -0.17 1.90 4.20 -0.78 -2.64 115.11 117.95 1pkg h GLN 919 Ca 0.27 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1pkg h GLN 919 Cb 0.39 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1pkg h GLN 919 CO -0.38 0.62 -0.00 0.82 -0.67 0.00 0.00 178.83 179.21 1pkg h ILE 920 N 0.12 1.25 -0.58 2.54 2.04 0.10 0.83 117.51 123.81 1pkg h ILE 920 Ca 0.00 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.13 1pkg h ILE 920 Cb 0.93 1.49 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 1pkg h ILE 920 CO 0.07 0.25 -0.22 0.58 0.00 0.00 0.00 178.15 178.84 1pkg h VAL 921 N 0.05 0.31 0.00 1.67 2.07 0.66 0.28 116.25 121.27 1pkg h VAL 921 Ca 0.05 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 1pkg h VAL 921 Cb 0.38 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1pkg h VAL 921 CO 0.01 0.00 -0.55 1.56 0.02 0.00 0.00 177.57 178.61 1pkg h GLN 922 N -0.08 0.00 -0.48 1.57 4.20 -1.42 -2.02 115.11 116.89 1pkg h GLN 922 Ca 0.26 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.86 1pkg h GLN 922 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1pkg h GLN 922 CO -0.63 0.55 -0.16 -0.07 -0.67 0.00 0.00 178.83 177.84 1pkg h LEU 923 N 0.00 0.93 -0.55 1.46 3.38 0.11 -3.07 115.31 117.58 1pkg h LEU 923 Ca -0.01 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.49 1pkg h LEU 923 Cb 1.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1pkg h LEU 923 CO 0.07 1.08 -0.46 0.40 0.09 0.00 0.00 178.44 179.63 1pkg h ILE 924 N 0.81 1.30 0.00 1.22 2.04 -0.32 -3.21 117.51 119.35 1pkg h ILE 924 Ca 0.12 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1pkg h ILE 924 Cb 0.71 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1pkg h ILE 924 CO 0.05 0.53 0.00 1.21 0.00 0.00 0.00 178.15 179.94 1pkg n GLU 925 N -4.01 0.37 -2.82 2.37 0.00 -0.78 -1.67 120.64 114.11 1pkg n GLU 925 Ca -0.02 0.03 -0.39 0.00 0.00 0.00 0.00 57.16 56.78 1pkg n GLU 925 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.50 1pkg n GLU 925 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pkg n LYS 926 N -1.05 4.73 0.00 5.31 5.02 -1.21 -5.09 118.16 125.87 1pkg n LYS 926 Ca 0.09 -4.67 0.00 0.00 -2.02 0.00 0.00 58.31 51.71 1pkg n LYS 926 Cb 0.06 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 1pkg n LYS 926 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92