#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkg n ASN 567 N 0.00 0.00 0.00 0.53 3.02 -1.26 -5.39 115.26 112.17 1pkg n ASN 567 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pkg n ASN 567 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1pkg n ASN 567 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1pkg n VAL 569 N 0.00 0.00 -3.75 2.41 0.31 -1.26 -5.35 118.33 110.69 1pkg n VAL 569 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1pkg n VAL 569 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 1pkg n VAL 569 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1pkg s ILE 571 N 0.00 0.52 -0.33 2.52 1.01 -1.26 -5.26 121.20 118.41 1pkg s ILE 571 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 1pkg s ILE 571 Cb 0.00 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1pkg s ILE 571 CO 0.00 -0.07 0.89 -0.62 0.00 0.00 0.00 174.94 175.14 1pkg s ASP 572 N 1.87 6.72 0.37 3.58 3.68 -1.26 -4.89 116.67 126.74 1pkg s ASP 572 Ca 0.01 0.71 0.26 0.00 2.13 0.00 0.00 52.55 55.66 1pkg s ASP 572 Cb -0.16 -2.45 1.28 0.00 -1.45 0.00 0.00 42.92 40.14 1pkg s ASP 572 CO -0.07 -0.74 1.80 1.55 0.13 0.00 0.00 175.17 177.83 1pkg h PRO 573 N 8.22 0.00 -0.00 4.34 0.13 -2.06 0.15 132.00 142.77 1pkg h PRO 573 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1pkg h PRO 573 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1pkg h PRO 573 CO 0.94 0.00 -0.15 0.25 -0.23 0.00 0.00 178.00 178.82 1pkg n THR 574 N -2.44 0.00 0.46 1.56 -2.24 -1.26 -3.50 114.28 106.86 1pkg n THR 574 Ca -0.00 -0.08 0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1pkg n THR 574 Cb 0.14 0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.87 0.68 -1.82 -0.78 6.02 0.51 -4.99 117.38 116.13 1pkg n GLN 575 Ca 0.14 -0.09 -0.37 0.00 -0.01 0.00 0.00 57.00 56.67 1pkg n GLN 575 Cb 0.30 -1.43 0.05 0.00 1.02 0.00 0.00 30.24 30.18 1pkg n GLN 575 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pkg s LEU 576 N -3.59 3.70 -0.50 1.08 1.43 -1.23 -4.91 118.68 114.66 1pkg s LEU 576 Ca 0.00 2.63 -0.23 0.00 -1.03 0.00 0.00 54.13 55.51 1pkg s LEU 576 Cb 0.13 -4.48 0.04 0.00 0.03 0.00 0.00 46.19 41.91 1pkg s LEU 576 CO 0.79 -1.75 0.82 -2.16 0.23 0.00 0.00 176.35 174.28 1pkg s PRO 577 N -3.18 3.33 0.00 1.29 0.04 -1.26 -4.73 135.00 130.50 1pkg s PRO 577 Ca 0.77 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1pkg s PRO 577 Cb -0.37 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1pkg s PRO 577 CO 0.41 -1.27 0.00 2.48 0.04 0.00 0.00 177.00 178.66 1pkg n TYR 578 N 6.91 0.00 -0.01 0.56 0.18 -1.26 -4.92 117.16 118.62 1pkg n TYR 578 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 1pkg n TYR 578 Cb 0.47 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1pkg n TYR 578 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1pkg n ASP 579 N -1.30 0.00 -4.92 9.48 10.43 -1.26 -4.70 116.55 124.28 1pkg n ASP 579 Ca 0.00 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.09 1pkg n ASP 579 Cb 0.00 -0.01 0.02 0.00 1.84 0.00 0.00 41.12 42.97 1pkg n ASP 579 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1pkg s HIS 580 N -0.01 3.31 -2.45 1.24 2.46 -1.26 -4.98 115.29 113.61 1pkg s HIS 580 Ca 0.00 0.67 0.23 0.00 0.47 0.00 0.00 55.06 56.43 1pkg s HIS 580 Cb 0.00 -2.64 0.46 0.00 -0.13 0.00 0.00 32.58 30.27 1pkg s HIS 580 CO 0.00 -0.71 1.42 0.36 -2.47 0.00 0.00 174.74 173.34 1pkg n LYS 581 N -2.51 2.46 -0.02 2.88 2.85 -1.26 -4.52 118.16 118.03 1pkg n LYS 581 Ca 0.04 -2.20 -0.03 0.00 -1.05 0.00 0.00 58.31 55.07 1pkg n LYS 581 Cb 0.57 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.41 1pkg n LYS 581 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1pkg n TRP 582 N 1.40 0.00 -1.64 5.58 7.02 -1.26 -4.99 117.44 123.55 1pkg n TRP 582 Ca 0.19 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.21 1pkg n TRP 582 Cb 0.58 -0.22 -0.03 0.00 -2.42 0.00 0.00 31.31 29.22 1pkg n TRP 582 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1pkg n GLU 583 N -2.29 1.79 -4.06 -0.99 4.07 -1.26 -2.38 120.64 115.52 1pkg n GLU 583 Ca -0.08 0.64 -0.18 0.00 -0.06 0.00 0.00 57.16 57.48 1pkg n GLU 583 Cb 0.63 -2.27 -0.16 0.00 -0.06 0.00 0.00 31.44 29.59 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 0.08 0.48 0.12 4.31 2.19 -0.55 -4.85 117.98 119.75 1pkg s PHE 584 Ca 0.72 -0.08 -0.31 0.00 0.33 0.00 0.00 56.93 57.58 1pkg s PHE 584 Cb -0.72 -0.46 -0.08 0.00 -1.31 0.00 0.00 43.02 40.45 1pkg s PHE 584 CO 0.48 -0.12 1.38 -1.25 1.83 0.00 0.00 175.22 177.55 1pkg s PRO 585 N 0.72 4.32 0.00 10.12 0.04 -1.26 -4.47 135.00 144.48 1pkg s PRO 585 Ca -0.08 2.07 0.18 0.00 0.04 0.00 0.00 61.00 63.21 1pkg s PRO 585 Cb -0.11 -3.25 0.87 0.00 0.04 0.00 0.00 34.50 32.05 1pkg s PRO 585 CO -0.01 -0.43 1.57 2.89 0.04 0.00 0.00 177.00 181.06 1pkg n ARG 586 N 3.91 0.16 0.00 4.56 1.85 -1.26 -0.76 116.66 125.13 1pkg n ARG 586 Ca 0.11 0.14 0.14 0.00 -1.00 0.00 0.00 57.85 57.24 1pkg n ARG 586 Cb 0.42 -1.50 0.56 0.00 -1.05 0.00 0.00 32.46 30.89 1pkg n ARG 586 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1pkg n ASN 587 N -1.37 0.75 -0.64 2.89 0.23 -1.26 -3.68 115.26 112.19 1pkg n ASN 587 Ca 0.07 -0.84 0.13 0.00 -0.53 0.00 0.00 54.58 53.41 1pkg n ASN 587 Cb 0.17 -0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.20 1pkg n ASN 587 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1pkg n ARG 588 N -0.69 1.82 -3.98 -3.83 1.74 0.07 -4.86 116.66 106.92 1pkg n ARG 588 Ca 0.15 -1.29 -0.25 0.00 -0.77 0.00 0.00 57.85 55.70 1pkg n ARG 588 Cb 0.30 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.06 4.21 -0.15 0.55 1.43 -1.24 -0.86 118.68 120.56 1pkg s LEU 589 Ca 0.32 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1pkg s LEU 589 Cb 0.20 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1pkg s LEU 589 CO 0.35 0.03 0.03 -0.55 0.23 0.00 0.00 176.35 176.44 1pkg s SER 590 N -3.39 2.44 0.38 2.29 0.15 -0.24 -4.98 113.70 110.35 1pkg s SER 590 Ca 0.34 -0.57 -0.26 0.00 0.70 0.00 0.00 55.95 56.16 1pkg s SER 590 Cb -0.10 -0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 63.62 1pkg s SER 590 CO 0.28 -0.28 1.13 -0.36 1.20 0.00 0.00 173.24 175.20 1pkg s PHE 591 N 1.93 3.21 0.00 3.44 0.08 -1.26 -2.32 117.98 123.06 1pkg s PHE 591 Ca 0.01 1.60 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1pkg s PHE 591 Cb -0.15 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 1pkg s PHE 591 CO -0.07 -1.01 0.00 0.41 -0.10 0.00 0.00 175.22 174.45 1pkg n GLY 592 N 0.65 5.29 3.75 4.36 0.00 0.22 -4.95 105.19 114.52 1pkg n GLY 592 Ca 0.03 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 4.94 3.03 0.08 1.61 -2.85 -1.26 -4.64 119.74 120.64 1pkg s LYS 593 Ca 0.00 1.94 -0.31 0.00 -1.00 0.00 0.00 55.97 56.60 1pkg s LYS 593 Cb 0.00 -2.03 -0.08 0.00 -2.06 0.00 0.00 37.83 33.66 1pkg s LYS 593 CO 0.00 -1.19 1.56 0.99 0.10 0.00 0.00 175.35 176.81 1pkg s THR 594 N -1.50 3.13 -0.16 3.79 2.01 -1.26 -0.39 115.64 121.26 1pkg s THR 594 Ca 0.76 0.65 -0.10 0.00 0.31 0.00 0.00 61.69 63.30 1pkg s THR 594 Cb -0.33 -3.42 -0.23 0.00 0.01 0.00 0.00 72.50 68.53 1pkg s THR 594 CO 0.37 0.01 0.23 0.18 -0.69 0.00 0.00 174.62 174.73 1pkg n LEU 595 N 5.09 2.43 -3.61 4.42 4.77 0.50 -4.85 117.00 125.75 1pkg n LEU 595 Ca 0.14 0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 1pkg n LEU 595 Cb 0.41 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1pkg n LEU 595 CO 0.61 0.69 1.02 -0.83 -1.33 0.00 0.00 177.39 177.56 1pkg s GLY 596 N -5.47 -0.09 0.31 -0.72 0.00 -0.97 -4.97 107.32 95.42 1pkg s GLY 596 Ca -0.26 2.36 0.10 0.00 0.00 0.00 0.00 44.72 46.91 1pkg s GLY 596 CO 0.69 0.97 -0.01 0.00 0.00 0.00 0.00 173.10 174.75 1pkg s ALA 597 N -1.32 3.15 0.00 3.20 0.00 -1.26 -0.40 121.76 125.13 1pkg s ALA 597 Ca 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1pkg s ALA 597 Cb -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1pkg s ALA 597 CO -0.05 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1pkg n GLY 598 N -0.90 4.55 0.00 0.00 0.00 -0.89 -4.99 105.19 102.95 1pkg n GLY 598 Ca -0.05 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.62 1pkg n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkg n ALA 599 N -3.00 4.07 -1.79 4.61 0.00 -1.26 -4.49 120.51 118.64 1pkg n ALA 599 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 52.93 1pkg n ALA 599 Cb 0.00 -0.75 0.09 0.00 0.00 0.00 0.00 19.45 18.79 1pkg n ALA 599 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pkg n PHE 600 N -1.75 0.00 0.00 0.00 3.01 -1.26 -4.94 117.46 112.52 1pkg n PHE 600 Ca 0.01 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.73 1pkg n PHE 600 Cb 0.40 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1pkg n PHE 600 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pkg n GLY 601 N -0.51 2.17 3.55 1.37 0.00 -1.26 -4.73 105.19 105.77 1pkg n GLY 601 Ca 0.10 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1pkg n GLY 601 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pkg s LYS 602 N -1.95 2.16 -0.09 1.61 -2.85 0.12 -2.10 119.74 116.64 1pkg s LYS 602 Ca 0.00 -0.97 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 1pkg s LYS 602 Cb 0.00 -2.30 0.01 0.00 -2.06 0.00 0.00 37.83 33.48 1pkg s LYS 602 CO 0.00 0.53 -0.16 0.08 0.10 0.00 0.00 175.35 175.90 1pkg s VAL 603 N -1.10 1.45 -0.06 1.79 1.01 0.46 0.91 120.40 124.86 1pkg s VAL 603 Ca 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1pkg s VAL 603 Cb -0.11 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1pkg s VAL 603 CO 0.10 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 1pkg s VAL 604 N 0.76 1.13 0.41 2.92 1.01 -0.23 -0.37 120.40 126.03 1pkg s VAL 604 Ca -0.12 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 1pkg s VAL 604 Cb -0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 36.38 35.09 1pkg s VAL 604 CO 0.02 0.35 1.28 1.21 0.00 0.00 0.00 175.10 177.96 1pkg n GLU 605 N 3.72 1.97 -3.57 2.72 2.13 0.47 -1.31 120.64 126.78 1pkg n GLU 605 Ca -0.22 0.70 -0.13 0.00 0.66 0.00 0.00 57.16 58.17 1pkg n GLU 605 Cb 0.52 -2.38 -0.05 0.00 0.27 0.00 0.00 31.44 29.81 1pkg n GLU 605 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pkg s ALA 606 N -1.18 -1.28 0.03 4.31 0.00 -0.95 0.73 121.76 123.43 1pkg s ALA 606 Ca 0.60 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 1pkg s ALA 606 Cb -0.52 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1pkg s ALA 606 CO 0.59 -0.57 0.47 0.99 0.00 0.00 0.00 175.76 177.24 1pkg s THR 607 N -2.93 4.91 -0.05 0.00 2.01 -0.98 -0.54 115.64 118.06 1pkg s THR 607 Ca -0.03 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1pkg s THR 607 Cb -0.00 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1pkg s THR 607 CO -0.06 0.57 -0.17 0.00 -0.69 0.00 0.00 174.62 174.27 1pkg s ALA 608 N -1.09 1.55 -0.30 7.40 0.00 -0.46 -1.08 121.76 127.78 1pkg s ALA 608 Ca 0.26 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1pkg s ALA 608 Cb -0.18 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1pkg s ALA 608 CO 0.16 0.25 0.26 0.71 0.00 0.00 0.00 175.76 177.14 1pkg s TYR 609 N 0.17 3.23 0.00 0.00 1.51 -0.04 -2.42 117.35 119.80 1pkg s TYR 609 Ca -0.07 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1pkg s TYR 609 Cb -0.13 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1pkg s TYR 609 CO 0.03 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 1pkg n GLY 610 N 4.99 0.61 0.42 0.71 0.00 -1.26 -4.84 105.19 105.82 1pkg n GLY 610 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.20 0.00 0.99 5.85 -1.87 -3.42 115.31 115.66 1pkg h LEU 611 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1pkg h LEU 611 Cb 0.00 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1pkg h LEU 611 CO 0.00 -0.52 0.00 0.00 -0.34 0.00 0.00 178.44 177.58 1pkg n ILE 612 N -5.48 0.00 -1.38 4.05 0.13 -1.26 -4.93 119.36 110.49 1pkg n ILE 612 Ca -0.09 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.25 1pkg n ILE 612 Cb 0.39 -0.75 0.08 0.00 -0.84 0.00 0.00 39.64 38.52 1pkg n ILE 612 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1pkg s LYS 613 N 0.00 2.34 0.29 9.51 2.20 -1.26 -4.93 119.74 127.90 1pkg s LYS 613 Ca 0.00 1.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 1pkg s LYS 613 Cb 0.00 -1.90 0.62 0.00 -1.51 0.00 0.00 37.83 35.03 1pkg s LYS 613 CO 0.00 -1.59 1.82 0.77 -0.36 0.00 0.00 175.35 175.99 1pkg h SER 614 N -0.81 0.88 -2.34 1.43 0.02 -1.92 -3.24 113.55 107.58 1pkg h SER 614 Ca -0.45 0.06 -0.59 0.00 -0.84 0.00 0.00 61.79 59.98 1pkg h SER 614 Cb 1.24 -0.11 -0.41 0.00 0.14 0.00 0.00 62.40 63.26 1pkg h SER 614 CO 0.52 0.42 -0.76 -0.90 -1.14 0.00 0.00 176.83 174.97 1pkg n ASP 615 N -4.67 2.24 0.00 3.07 5.68 -1.26 -4.34 116.55 117.28 1pkg n ASP 615 Ca 0.20 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.40 1pkg n ASP 615 Cb 0.43 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1pkg n ASP 615 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pkg n ALA 616 N 1.43 0.00 -1.03 2.12 0.00 -1.22 -4.84 120.51 116.97 1pkg n ALA 616 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1pkg n ALA 616 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1pkg n ALA 616 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pkg n ALA 617 N -3.00 -0.34 -2.14 0.00 0.00 -1.01 -4.80 120.51 109.22 1pkg n ALA 617 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1pkg n ALA 617 Cb 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 19.45 19.14 1pkg n ALA 617 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pkg s MET 618 N -2.68 2.38 -0.19 0.00 0.23 -1.06 -4.86 119.30 113.13 1pkg s MET 618 Ca 0.00 -1.67 -0.07 0.00 -1.03 0.00 0.00 55.69 52.92 1pkg s MET 618 Cb 0.00 -2.50 -0.04 0.00 -1.53 0.00 0.00 34.83 30.76 1pkg s MET 618 CO 0.00 -0.66 0.05 0.99 -2.03 0.00 0.00 175.02 173.37 1pkg s THR 619 N -2.63 4.64 0.42 3.16 2.01 -1.26 -1.35 115.64 120.63 1pkg s THR 619 Ca 0.53 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.49 1pkg s THR 619 Cb -0.05 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 1pkg s THR 619 CO 0.33 0.45 0.03 0.68 -0.69 0.00 0.00 174.62 175.41 1pkg s VAL 620 N 0.53 1.53 -0.00 3.82 -7.23 0.30 -3.37 120.40 115.97 1pkg s VAL 620 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1pkg s VAL 620 Cb -0.13 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1pkg s VAL 620 CO 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.76 1pkg s ALA 621 N -2.89 3.12 -0.17 1.32 0.00 -0.09 -2.24 121.76 120.81 1pkg s ALA 621 Ca 0.27 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1pkg s ALA 621 Cb 0.07 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.99 1pkg s ALA 621 CO 0.13 0.62 -0.20 0.08 0.00 0.00 0.00 175.76 176.40 1pkg s VAL 622 N -1.02 2.05 -0.11 0.00 1.01 -0.42 -1.80 120.40 120.10 1pkg s VAL 622 Ca 0.18 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1pkg s VAL 622 Cb -0.11 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1pkg s VAL 622 CO 0.08 0.54 0.37 -0.75 0.00 0.00 0.00 175.10 175.34 1pkg s LYS 623 N 1.23 4.18 0.15 2.72 2.20 -0.19 -1.07 119.74 128.97 1pkg s LYS 623 Ca 0.03 0.27 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 1pkg s LYS 623 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1pkg s LYS 623 CO -0.11 0.33 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.42 1pkg s MET 624 N 0.14 1.15 0.58 4.03 -1.94 0.26 -2.34 119.30 121.18 1pkg s MET 624 Ca 0.21 -1.39 -0.19 0.00 -1.71 0.00 0.00 55.69 52.61 1pkg s MET 624 Cb -0.14 -0.99 -0.04 0.00 2.01 0.00 0.00 34.83 35.67 1pkg s MET 624 CO 0.08 0.18 1.23 -0.51 -0.01 0.00 0.00 175.02 175.99 1pkg s LEU 625 N -2.82 3.71 0.98 -0.03 1.43 -1.26 0.15 118.68 120.83 1pkg s LEU 625 Ca 0.15 2.45 -0.15 0.00 -1.03 0.00 0.00 54.13 55.55 1pkg s LEU 625 Cb -0.03 -4.53 0.18 0.00 0.03 0.00 0.00 46.19 41.85 1pkg s LEU 625 CO 0.04 -1.57 1.21 -0.54 0.23 0.00 0.00 176.35 175.71 1pkg s LYS 626 N -3.23 0.57 0.05 1.70 1.02 -1.26 -4.57 119.74 114.03 1pkg s LYS 626 Ca 0.76 -0.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.38 1pkg s LYS 626 Cb -0.32 -1.81 -0.18 0.00 -0.52 0.00 0.00 37.83 35.00 1pkg s LYS 626 CO 0.36 -2.52 1.51 -1.00 -0.92 0.00 0.00 175.35 172.78 1pkg h PRO 627 N -1.72 -0.77 -5.01 -1.68 0.13 -2.02 -3.37 132.00 117.55 1pkg h PRO 627 Ca -0.47 0.05 -0.64 0.00 -0.87 0.00 0.00 66.00 64.08 1pkg h PRO 627 Cb 1.29 0.18 -0.21 0.00 0.13 0.00 0.00 31.00 32.39 1pkg h PRO 627 CO 0.48 -0.48 -0.60 -1.12 -0.23 0.00 0.00 178.00 176.04 1pkg s SER 628 N -4.54 5.32 -0.05 1.44 0.01 -1.26 -5.08 113.70 109.54 1pkg s SER 628 Ca -0.17 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1pkg s SER 628 Cb 0.03 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.34 1pkg s SER 628 CO 0.59 0.01 0.00 0.00 0.41 0.00 0.00 173.24 174.25 1pkg s ALA 629 N 1.37 0.51 1.09 1.44 0.00 -1.26 -5.16 121.76 119.76 1pkg s ALA 629 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1pkg s ALA 629 Cb -0.15 -0.55 0.24 0.00 0.00 0.00 0.00 23.12 22.66 1pkg s ALA 629 CO 0.04 -0.28 1.06 -1.01 0.00 0.00 0.00 175.76 175.57 1pkg s HIS 630 N 1.56 1.71 0.25 0.00 3.76 -1.26 -4.87 115.29 116.44 1pkg s HIS 630 Ca -0.02 1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 55.85 1pkg s HIS 630 Cb -0.13 -3.21 0.33 0.00 1.11 0.00 0.00 32.58 30.68 1pkg s HIS 630 CO -0.03 -3.39 1.87 1.25 -0.85 0.00 0.00 174.74 173.59 1pkg h LEU 631 N -2.26 0.93 -0.80 0.89 6.46 -2.01 -2.89 115.31 115.64 1pkg h LEU 631 Ca -0.58 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.30 1pkg h LEU 631 Cb 1.34 -0.19 -0.12 0.00 -0.73 0.00 0.00 40.66 40.95 1pkg h LEU 631 CO 0.54 0.62 -0.34 0.41 -0.62 0.00 0.00 178.44 179.05 1pkg n THR 632 N -4.55 -0.44 0.32 1.05 -1.04 -1.26 -0.59 114.28 107.77 1pkg n THR 632 Ca 0.13 1.89 0.12 0.00 -2.04 0.00 0.00 64.05 64.14 1pkg n THR 632 Cb 0.14 -2.46 0.20 0.00 -1.82 0.00 0.00 70.33 66.39 1pkg n THR 632 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1pkg h GLU 633 N 0.00 0.00 0.65 -2.82 9.09 -1.88 -2.00 114.58 117.63 1pkg h GLU 633 Ca 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.63 1pkg h GLU 633 Cb 0.45 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1pkg h GLU 633 CO -0.79 0.00 -0.31 0.00 0.05 0.00 0.00 179.01 177.96 1pkg h ARG 634 N 0.00 -0.84 0.00 1.06 3.08 -0.78 -2.88 114.38 114.02 1pkg h ARG 634 Ca 0.00 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1pkg h ARG 634 Cb 0.92 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1pkg h ARG 634 CO 0.00 -0.52 -0.05 0.93 -1.07 0.00 0.00 179.97 179.26 1pkg h GLU 635 N -1.04 0.00 0.00 0.04 5.08 -1.30 -2.64 114.58 114.72 1pkg h GLU 635 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pkg h GLU 635 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pkg h GLU 635 CO 0.15 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1pkg h ALA 636 N 1.95 1.00 0.13 3.43 0.00 -1.32 -1.50 119.26 122.95 1pkg h ALA 636 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1pkg h ALA 636 Cb 0.08 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1pkg h ALA 636 CO 0.01 0.00 -0.93 1.25 0.00 0.00 0.00 179.25 179.57 1pkg h LEU 637 N 0.00 0.60 0.00 0.00 5.85 -1.24 -2.23 115.31 118.29 1pkg h LEU 637 Ca 0.00 -0.89 -0.00 0.00 0.84 0.00 0.00 57.88 57.83 1pkg h LEU 637 Cb 0.70 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1pkg h LEU 637 CO 0.00 1.44 -0.00 0.24 -0.34 0.00 0.00 178.44 179.78 1pkg h MET 638 N -0.14 -0.01 -0.81 1.25 2.86 -1.55 -1.01 114.93 115.52 1pkg h MET 638 Ca -0.15 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1pkg h MET 638 Cb 1.69 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.27 1pkg h MET 638 CO 0.18 0.02 0.42 1.03 1.06 0.00 0.00 176.91 179.62 1pkg h SER 639 N -0.03 0.52 0.26 1.22 0.87 -1.40 0.19 113.55 115.17 1pkg h SER 639 Ca -0.00 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1pkg h SER 639 Cb 0.03 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1pkg h SER 639 CO 0.00 0.25 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.12 1pkg h GLU 640 N 0.63 -0.60 -0.62 2.24 4.57 -1.19 0.15 114.58 119.76 1pkg h GLU 640 Ca 0.43 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.78 1pkg h GLU 640 Cb 0.55 0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 1pkg h GLU 640 CO -0.33 -0.40 0.01 1.25 -1.18 0.00 0.00 179.01 178.35 1pkg h LEU 641 N -0.63 -0.26 0.62 1.64 6.46 -0.64 0.81 115.31 123.31 1pkg h LEU 641 Ca -0.03 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1pkg h LEU 641 Cb 0.56 0.27 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1pkg h LEU 641 CO -0.09 -0.11 -0.30 0.50 -0.62 0.00 0.00 178.44 177.82 1pkg h LYS 642 N 0.12 -0.80 -0.74 1.25 3.64 -0.47 -2.23 116.57 117.34 1pkg h LYS 642 Ca 0.32 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.88 1pkg h LYS 642 Cb 0.52 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.44 1pkg h LYS 642 CO -0.53 -0.49 0.34 0.28 -2.27 0.00 0.00 179.45 176.78 1pkg h VAL 643 N -0.97 0.74 0.00 2.00 2.07 -0.71 -1.54 116.25 117.84 1pkg h VAL 643 Ca -0.08 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1pkg h VAL 643 Cb 0.68 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1pkg h VAL 643 CO 0.14 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.70 1pkg h LEU 644 N 0.52 0.00 0.00 2.57 3.38 -0.72 -2.97 115.31 118.09 1pkg h LEU 644 Ca 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 1pkg h LEU 644 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1pkg h LEU 644 CO -0.34 0.05 -0.44 -1.28 0.09 0.00 0.00 178.44 176.52 1pkg h SER 645 N 0.00 0.00 -0.45 -0.43 0.87 -0.64 -3.11 113.55 109.79 1pkg h SER 645 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pkg h SER 645 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1pkg h SER 645 CO 0.01 0.29 0.00 -1.22 -0.53 0.00 0.00 176.83 175.38 1pkg n TYR 646 N -3.11 0.59 0.00 2.24 4.02 -1.12 -4.57 117.16 115.21 1pkg n TYR 646 Ca 0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1pkg n TYR 646 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 1pkg n TYR 646 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1pkg n LEU 647 N 1.33 0.00 0.00 7.72 4.77 -1.21 -5.07 117.00 124.55 1pkg n LEU 647 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1pkg n LEU 647 Cb 0.56 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1pkg n LEU 647 CO 0.15 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1pkg n GLY 648 N 3.43 2.28 2.76 -0.72 0.00 -1.18 -4.66 105.19 107.10 1pkg n GLY 648 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1pkg n GLY 648 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pkg n ASN 649 N 9.27 4.46 -4.06 1.61 5.03 -1.26 -4.47 115.26 125.84 1pkg n ASN 649 Ca 0.00 -2.93 -0.23 0.00 0.87 0.00 0.00 54.58 52.29 1pkg n ASN 649 Cb 0.00 -1.59 -0.16 0.00 -1.02 0.00 0.00 39.78 37.01 1pkg n ASN 649 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1pkg s HIS 650 N 2.18 1.30 0.27 3.10 3.76 -1.26 -5.06 115.29 119.58 1pkg s HIS 650 Ca 0.45 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 55.00 1pkg s HIS 650 Cb 0.13 -0.90 0.58 0.00 1.11 0.00 0.00 32.58 33.50 1pkg s HIS 650 CO -0.06 -0.13 1.72 1.98 -0.85 0.00 0.00 174.74 177.40 1pkg h MET 651 N 6.34 0.45 -0.36 1.40 4.05 -1.98 -2.75 114.93 122.07 1pkg h MET 651 Ca -0.33 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 1pkg h MET 651 Cb 1.17 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1pkg h MET 651 CO 0.48 0.30 0.00 0.09 0.23 0.00 0.00 176.91 178.01 1pkg n ASN 652 N -5.00 3.95 -4.23 1.39 3.02 -1.26 -4.73 115.26 108.40 1pkg n ASN 652 Ca 0.18 -2.68 -0.25 0.00 -0.03 0.00 0.00 54.58 51.80 1pkg n ASN 652 Cb 0.51 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.06 1pkg n ASN 652 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pkg s ILE 653 N -2.24 1.58 0.08 2.41 1.09 -1.04 -0.08 121.20 123.00 1pkg s ILE 653 Ca 0.40 -1.17 -0.31 0.00 -1.10 0.00 0.00 60.65 58.47 1pkg s ILE 653 Cb 0.29 -1.38 -0.07 0.00 -1.06 0.00 0.00 42.46 40.24 1pkg s ILE 653 CO 0.13 0.17 1.44 0.54 -0.10 0.00 0.00 174.94 177.12 1pkg s VAL 654 N -0.81 3.32 -0.19 2.92 0.11 0.29 -4.68 120.40 121.36 1pkg s VAL 654 Ca 0.07 0.88 -0.16 0.00 -2.93 0.00 0.00 61.98 59.84 1pkg s VAL 654 Cb -0.09 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1pkg s VAL 654 CO 0.02 0.04 0.39 0.21 -3.33 0.00 0.00 175.10 172.42 1pkg s ASN 655 N 1.48 6.45 0.03 3.54 2.47 -1.26 -4.72 114.94 122.92 1pkg s ASN 655 Ca 0.66 0.53 -0.25 0.00 0.42 0.00 0.00 52.86 54.23 1pkg s ASN 655 Cb -0.36 -2.23 -0.05 0.00 -1.45 0.00 0.00 41.25 37.16 1pkg s ASN 655 CO 0.30 -0.04 0.76 -0.22 -3.72 0.00 0.00 177.10 174.18 1pkg s LEU 656 N 1.13 4.43 -0.08 3.21 2.96 -1.26 -1.59 118.68 127.47 1pkg s LEU 656 Ca 0.19 1.42 0.19 0.00 -0.22 0.00 0.00 54.13 55.70 1pkg s LEU 656 Cb -0.14 -3.22 -0.28 0.00 0.50 0.00 0.00 46.19 43.04 1pkg s LEU 656 CO 0.08 -0.02 0.30 0.18 -1.32 0.00 0.00 176.35 175.57 1pkg n LEU 657 N 3.00 0.00 0.00 -0.68 4.77 0.11 -4.94 117.00 119.26 1pkg n LEU 657 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1pkg n LEU 657 Cb 0.50 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1pkg n LEU 657 CO 0.47 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1pkg n GLY 658 N 1.55 -2.05 3.36 -0.72 0.00 -1.05 -4.94 105.19 101.34 1pkg n GLY 658 Ca -0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.63 -0.33 -0.22 4.61 0.00 -1.00 -0.78 121.76 122.40 1pkg s ALA 659 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1pkg s ALA 659 Cb 0.00 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.96 1pkg s ALA 659 CO 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 175.76 174.97 1pkg n THR 661 N 4.55 0.12 -2.16 0.00 -2.24 -1.26 -1.37 114.28 111.91 1pkg n THR 661 Ca -0.16 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1pkg n THR 661 Cb 0.45 -0.83 0.17 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.05 2.02 0.00 2.28 1.01 -1.26 -4.67 121.20 118.52 1pkg s ILE 662 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1pkg s ILE 662 Cb 0.01 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1pkg s ILE 662 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1pkg n GLY 663 N -3.51 1.35 0.00 6.18 0.00 -1.26 -4.71 105.19 103.24 1pkg n GLY 663 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 -0.62 3.74 -0.02 0.00 -1.26 -5.09 105.19 99.94 1pkg n GLY 664 Ca 0.00 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1pkg n GLY 664 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pkg s PRO 665 N -2.00 2.24 0.14 1.61 0.02 -1.26 -4.89 135.00 130.86 1pkg s PRO 665 Ca 0.00 1.45 -0.31 0.00 0.02 0.00 0.00 61.00 62.16 1pkg s PRO 665 Cb 0.00 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1pkg s PRO 665 CO 0.00 -1.70 1.65 0.99 -0.33 0.00 0.00 177.00 177.61 1pkg s THR 666 N -2.44 2.60 -0.10 0.99 2.01 -1.26 -4.80 115.64 112.64 1pkg s THR 666 Ca 0.67 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.98 1pkg s THR 666 Cb -0.22 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1pkg s THR 666 CO 0.48 0.02 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 1pkg s LEU 667 N 1.71 3.28 -0.25 4.42 1.43 -0.47 -4.49 118.68 124.32 1pkg s LEU 667 Ca 0.73 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1pkg s LEU 667 Cb -0.44 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1pkg s LEU 667 CO 0.32 0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 176.47 1pkg s VAL 668 N -0.43 3.06 -0.25 -1.59 1.01 -0.99 -0.28 120.40 120.93 1pkg s VAL 668 Ca 0.07 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1pkg s VAL 668 Cb -0.12 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1pkg s VAL 668 CO 0.02 0.23 0.17 -0.63 0.00 0.00 0.00 175.10 174.88 1pkg s ILE 669 N 1.37 5.32 0.36 2.22 1.01 0.04 -1.02 121.20 130.49 1pkg s ILE 669 Ca 0.01 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1pkg s ILE 669 Cb -0.16 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 1pkg s ILE 669 CO -0.04 0.31 0.05 0.42 0.00 0.00 0.00 174.94 175.68 1pkg s THR 670 N 1.30 1.38 0.54 2.92 -4.23 -0.74 0.04 115.64 116.84 1pkg s THR 670 Ca 0.07 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 1pkg s THR 670 Cb -0.14 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 1pkg s THR 670 CO 0.07 0.00 1.27 -1.83 -0.54 0.00 0.00 174.62 173.59 1pkg s GLU 671 N -3.84 3.22 0.16 3.99 -1.05 -0.62 -0.91 118.70 119.65 1pkg s GLU 671 Ca 0.35 2.02 -0.29 0.00 -0.15 0.00 0.00 54.97 56.90 1pkg s GLU 671 Cb 0.09 -2.20 -0.07 0.00 -0.44 0.00 0.00 34.13 31.51 1pkg s GLU 671 CO 0.16 -1.06 0.90 -0.47 0.95 0.00 0.00 175.26 175.74 1pkg s TYR 672 N -1.43 3.88 -0.39 4.83 6.14 -1.22 -4.11 117.35 125.06 1pkg s TYR 672 Ca 0.71 1.77 -0.02 0.00 0.64 0.00 0.00 57.07 60.17 1pkg s TYR 672 Cb -0.35 -2.95 0.10 0.00 0.42 0.00 0.00 41.96 39.19 1pkg s TYR 672 CO 0.41 0.36 0.17 0.00 0.64 0.00 0.00 175.55 177.12 1pkg n TYR 675 N -3.43 0.00 -2.94 0.00 4.01 -0.60 -5.03 117.16 109.17 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 0.53 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.33 -0.33 3.92 2.72 0.00 -0.72 -4.71 105.19 107.39 1pkg n GLY 676 Ca 0.15 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 6.36 0.30 1.61 -4.77 -1.26 -0.22 116.67 114.69 1pkg s ASP 677 Ca 0.00 0.70 0.05 0.00 -3.30 0.00 0.00 52.55 50.01 1pkg s ASP 677 Cb 0.00 -2.14 0.48 0.00 -1.09 0.00 0.00 42.92 40.17 1pkg s ASP 677 CO 0.00 -0.33 1.74 0.25 0.70 0.00 0.00 175.17 177.52 1pkg h LEU 678 N 1.01 0.33 -0.68 2.11 5.85 0.77 -1.12 115.31 123.58 1pkg h LEU 678 Ca -0.48 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 1pkg h LEU 678 Cb 1.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1pkg h LEU 678 CO 0.63 0.64 0.19 0.25 -0.34 0.00 0.00 178.44 179.82 1pkg h LEU 679 N 0.28 1.01 0.00 2.25 5.85 -1.29 -1.77 115.31 121.64 1pkg h LEU 679 Ca 0.04 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 1pkg h LEU 679 Cb 0.71 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1pkg h LEU 679 CO 0.05 0.96 -0.78 0.78 -0.34 0.00 0.00 178.44 179.11 1pkg h ASN 680 N 1.00 0.00 -0.51 1.25 4.21 -1.80 -2.77 115.58 116.97 1pkg h ASN 680 Ca 0.22 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.60 1pkg h ASN 680 Cb 0.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1pkg h ASN 680 CO -0.00 0.62 -0.18 0.15 -1.29 0.00 0.00 177.43 176.73 1pkg h PHE 681 N 0.00 1.16 0.63 1.19 3.04 -1.10 -0.61 116.94 121.25 1pkg h PHE 681 Ca -0.04 -0.27 -0.03 0.00 3.98 0.00 0.00 57.97 61.61 1pkg h PHE 681 Cb 1.51 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 39.75 1pkg h PHE 681 CO 0.00 1.10 -0.30 -0.07 -2.02 0.00 0.00 178.31 177.02 1pkg h LEU 682 N 0.88 -0.72 -1.62 0.59 3.38 -1.37 0.24 115.31 116.69 1pkg h LEU 682 Ca 0.12 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.36 1pkg h LEU 682 Cb 0.76 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1pkg h LEU 682 CO 0.06 -0.50 0.66 0.03 0.09 0.00 0.00 178.44 178.78 1pkg h ARG 683 N -0.88 0.27 0.02 1.13 3.08 -1.49 0.39 114.38 116.88 1pkg h ARG 683 Ca -0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1pkg h ARG 683 Cb 0.65 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1pkg h ARG 683 CO 0.14 0.18 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.12 1pkg h ARG 684 N 0.28 -0.02 -0.66 0.04 2.43 -1.07 -3.36 114.38 112.01 1pkg h ARG 684 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1pkg h ARG 684 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1pkg h ARG 684 CO -0.16 0.75 0.00 1.63 -1.51 0.00 0.00 179.97 180.68 1pkg n LYS 685 N -4.70 3.18 -0.23 0.20 4.76 0.82 -4.42 118.16 117.78 1pkg n LYS 685 Ca -0.09 -1.98 -0.05 0.00 -2.87 0.00 0.00 58.31 53.32 1pkg n LYS 685 Cb 0.38 -1.84 0.05 0.00 -1.84 0.00 0.00 35.03 31.78 1pkg n LYS 685 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1pkg h ARG 686 N 2.69 0.83 0.00 1.97 2.43 -0.44 -2.02 114.38 119.84 1pkg h ARG 686 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1pkg h ARG 686 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1pkg h ARG 686 CO 0.24 0.55 0.00 -0.25 -1.51 0.00 0.00 179.97 179.00 1pkg n ASP 687 N -4.65 0.75 0.20 -3.80 8.00 -1.26 -2.18 116.55 113.61 1pkg n ASP 687 Ca 0.05 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.25 1pkg n ASP 687 Cb 0.03 -0.80 0.32 0.00 -0.02 0.00 0.00 41.12 40.65 1pkg n ASP 687 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1pkg h SER 688 N 0.00 0.00 -1.70 -2.24 0.02 -1.67 -3.43 113.55 104.53 1pkg h SER 688 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1pkg h SER 688 Cb 0.58 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.01 1pkg h SER 688 CO 0.00 0.28 1.23 0.12 -1.14 0.00 0.00 176.83 177.33 1pkg s PHE 689 N -3.43 2.56 -0.11 3.45 2.19 -0.93 -3.03 117.98 118.69 1pkg s PHE 689 Ca 0.02 -0.71 -0.10 0.00 0.33 0.00 0.00 56.93 56.47 1pkg s PHE 689 Cb 0.09 -4.60 -0.09 0.00 -1.31 0.00 0.00 43.02 37.12 1pkg s PHE 689 CO 0.67 -1.89 0.27 -0.84 1.83 0.00 0.00 175.22 175.26 1pkg h ILE 690 N 6.42 0.60 0.00 3.12 -0.00 -1.85 -3.49 117.51 122.31 1pkg h ILE 690 Ca 0.04 -1.44 0.00 0.00 -0.00 0.00 0.00 64.86 63.47 1pkg h ILE 690 Cb 1.03 1.13 0.00 0.00 -0.00 0.00 0.00 36.82 38.98 1pkg h ILE 690 CO 1.33 0.20 0.00 0.00 -0.00 0.00 0.00 178.15 179.68 1pkg n LEU 764 N 0.00 0.00 0.00 0.00 7.94 -1.17 -4.02 117.00 119.76 1pkg n LEU 764 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1pkg n LEU 764 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1pkg n LEU 764 CO 0.00 0.00 -0.06 -0.67 -1.11 0.00 0.00 177.39 175.55 1pkg n ASP 765 N 0.00 1.60 -0.06 1.96 2.03 -1.26 -3.97 116.55 116.85 1pkg n ASP 765 Ca 0.00 -1.65 -0.10 0.00 0.52 0.00 0.00 54.79 53.56 1pkg n ASP 765 Cb 0.00 0.22 -0.15 0.00 -0.72 0.00 0.00 41.12 40.47 1pkg n ASP 765 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1pkg n LEU 766 N 0.00 0.66 0.23 -2.67 0.00 -1.26 -2.82 117.00 111.14 1pkg n LEU 766 Ca -0.04 0.19 -0.16 0.00 0.00 0.00 0.00 56.01 56.01 1pkg n LEU 766 Cb 0.18 0.21 -0.08 0.00 0.00 0.00 0.00 43.42 43.73 1pkg n LEU 766 CO 0.10 0.49 0.61 -0.33 0.00 0.00 0.00 177.39 178.26 1pkg h GLU 767 N 0.00 -0.75 -0.53 1.96 5.08 -1.98 0.14 114.58 118.51 1pkg h GLU 767 Ca -0.43 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1pkg h GLU 767 Cb 2.12 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 31.47 1pkg h GLU 767 CO 0.05 -0.50 -0.31 -0.25 -1.00 0.00 0.00 179.01 177.00 1pkg n ASP 768 N -5.48 -0.56 0.09 1.42 8.00 -1.26 -0.91 116.55 117.86 1pkg n ASP 768 Ca -0.10 1.01 -0.03 0.00 0.71 0.00 0.00 54.79 56.38 1pkg n ASP 768 Cb 0.38 -0.16 0.20 0.00 -0.02 0.00 0.00 41.12 41.52 1pkg n ASP 768 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1pkg h LEU 769 N 0.00 0.25 -0.19 0.64 3.38 -1.07 -2.65 115.31 115.66 1pkg h LEU 769 Ca 0.08 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1pkg h LEU 769 Cb 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pkg h LEU 769 CO -0.50 0.68 -0.29 -0.07 0.09 0.00 0.00 178.44 178.36 1pkg h LEU 770 N 0.19 0.59 -1.05 1.67 3.38 -0.24 -2.40 115.31 117.45 1pkg h LEU 770 Ca 0.01 -0.52 0.28 0.00 0.09 0.00 0.00 57.88 57.74 1pkg h LEU 770 Cb 0.89 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.35 1pkg h LEU 770 CO 0.07 1.00 0.60 -1.28 0.09 0.00 0.00 178.44 178.92 1pkg h SER 771 N 0.21 0.59 -0.13 -0.43 0.87 -0.69 1.03 113.55 115.00 1pkg h SER 771 Ca 0.02 0.15 -0.23 0.00 -1.23 0.00 0.00 61.79 60.50 1pkg h SER 771 Cb 0.87 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1pkg h SER 771 CO 0.07 0.02 -0.81 -0.26 -0.53 0.00 0.00 176.83 175.32 1pkg h PHE 772 N 0.47 1.06 -0.62 2.24 0.05 -1.43 -0.64 116.94 118.08 1pkg h PHE 772 Ca 0.67 -0.49 -0.07 0.00 3.82 0.00 0.00 57.97 61.91 1pkg h PHE 772 Cb 1.44 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 39.20 1pkg h PHE 772 CO -0.01 1.32 0.11 0.77 -0.18 0.00 0.00 178.31 180.32 1pkg h SER 773 N 0.50 0.97 0.42 2.17 0.02 -0.21 -2.53 113.55 114.90 1pkg h SER 773 Ca -0.06 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1pkg h SER 773 Cb 1.44 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1pkg h SER 773 CO 0.17 0.98 -0.41 0.22 -1.14 0.00 0.00 176.83 176.65 1pkg h TYR 774 N 0.92 -1.13 -0.82 3.45 5.03 0.99 -2.43 116.97 122.98 1pkg h TYR 774 Ca 0.19 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 1pkg h TYR 774 Cb 0.42 0.44 -0.04 0.00 1.55 0.00 0.00 36.73 39.09 1pkg h TYR 774 CO 0.03 -0.55 0.49 1.96 -1.32 0.00 0.00 178.16 178.77 1pkg h GLN 775 N -0.82 1.11 -0.10 1.82 4.20 -1.15 0.50 115.11 120.67 1pkg h GLN 775 Ca -0.05 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1pkg h GLN 775 Cb 0.71 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1pkg h GLN 775 CO -0.04 0.79 0.06 0.28 -0.67 0.00 0.00 178.83 179.24 1pkg h VAL 776 N 1.12 1.06 -0.38 -0.54 2.07 -1.55 -1.16 116.25 116.86 1pkg h VAL 776 Ca 0.29 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.73 1pkg h VAL 776 Cb -0.03 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1pkg h VAL 776 CO -0.05 0.05 -0.12 0.00 0.02 0.00 0.00 177.57 177.47 1pkg h ALA 777 N 0.99 0.21 -0.57 1.67 0.00 -0.81 0.50 119.26 121.25 1pkg h ALA 777 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pkg h ALA 777 Cb 0.04 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1pkg h ALA 777 CO -0.01 -0.48 0.36 -0.22 0.00 0.00 0.00 179.25 178.90 1pkg h LYS 778 N -0.04 0.76 0.00 0.00 1.63 -0.89 0.12 116.57 118.16 1pkg h LYS 778 Ca 0.19 -0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.74 1pkg h LYS 778 Cb 0.32 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1pkg h LYS 778 CO -0.41 0.53 -0.91 0.78 -3.45 0.00 0.00 179.45 175.99 1pkg h GLY 779 N 0.77 0.00 0.76 5.01 0.00 -0.54 -1.94 103.07 107.13 1pkg h GLY 779 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1pkg h GLY 779 CO -0.04 0.00 0.01 -0.33 0.00 0.00 0.00 176.54 176.18 1pkg h MET 780 N 0.00 0.10 -0.13 4.80 2.86 0.17 -2.50 114.93 120.22 1pkg h MET 780 Ca -0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1pkg h MET 780 Cb 1.67 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 1pkg h MET 780 CO 0.12 0.34 0.19 0.00 1.06 0.00 0.00 176.91 178.62 1pkg h ALA 781 N 0.76 1.61 -0.01 6.32 0.00 -0.65 -0.94 119.26 126.35 1pkg h ALA 781 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1pkg h ALA 781 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pkg h ALA 781 CO 0.00 -0.26 -0.12 0.35 0.00 0.00 0.00 179.25 179.22 1pkg h PHE 782 N 0.00 0.14 -0.35 0.00 3.04 -1.08 -3.06 116.94 115.62 1pkg h PHE 782 Ca 0.06 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1pkg h PHE 782 Cb 0.45 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1pkg h PHE 782 CO 0.00 0.82 0.20 -0.07 -2.02 0.00 0.00 178.31 177.25 1pkg h LEU 783 N -0.59 0.32 -0.78 0.59 3.38 -0.83 -2.18 115.31 115.22 1pkg h LEU 783 Ca -0.01 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1pkg h LEU 783 Cb 0.85 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 1pkg h LEU 783 CO 0.02 0.24 -0.07 0.00 0.09 0.00 0.00 178.44 178.72 1pkg h ALA 784 N 1.16 0.71 0.00 1.53 0.00 -1.26 0.30 119.26 121.70 1pkg h ALA 784 Ca 0.14 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1pkg h ALA 784 Cb 0.01 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pkg h ALA 784 CO -0.07 -0.43 -0.05 0.66 0.00 0.00 0.00 179.25 179.36 1pkg h SER 785 N 0.05 0.00 -0.37 0.00 4.64 -1.32 -0.69 113.55 115.86 1pkg h SER 785 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1pkg h SER 785 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1pkg h SER 785 CO -0.74 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 175.56 1pkg n LYS 786 N -3.13 2.47 -2.51 4.77 4.76 -0.22 -4.90 118.16 119.40 1pkg n LYS 786 Ca 0.03 -1.59 -0.21 0.00 -2.87 0.00 0.00 58.31 53.66 1pkg n LYS 786 Cb 0.47 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.55 -5.92 -4.37 4.39 3.02 -0.27 -4.99 115.26 107.68 1pkg n ASN 787 Ca 0.14 -0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 1pkg n ASN 787 Cb 0.53 -4.89 -0.13 0.00 -0.61 0.00 0.00 39.78 34.68 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 1.37 5.23 -0.05 0.00 2.07 -0.10 -3.51 121.20 126.21 1pkg s ILE 789 Ca 0.04 0.44 -0.25 0.00 -1.41 0.00 0.00 60.65 59.48 1pkg s ILE 789 Cb -0.15 -3.64 -0.20 0.00 0.13 0.00 0.00 42.46 38.61 1pkg s ILE 789 CO -0.00 0.22 1.07 -0.74 -1.91 0.00 0.00 174.94 173.57 1pkg h HIS 790 N 8.01 -0.08 -0.37 3.50 -0.00 -1.91 -1.49 115.15 122.81 1pkg h HIS 790 Ca -0.34 -0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 59.87 1pkg h HIS 790 Cb 1.17 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.54 1pkg h HIS 790 CO 0.73 0.46 -0.14 0.54 -0.00 0.00 0.00 177.93 179.52 1pkg n ARG 791 N -4.85 -0.83 -2.22 5.26 1.74 -1.26 -3.27 116.66 111.23 1pkg n ARG 791 Ca -0.08 0.71 -0.01 0.00 -0.77 0.00 0.00 57.85 57.69 1pkg n ARG 791 Cb 0.29 -4.61 0.08 0.00 -1.02 0.00 0.00 32.46 27.20 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 0.04 -0.91 -4.75 0.55 4.64 -1.26 -4.87 116.55 109.99 1pkg n ASP 792 Ca -0.08 -1.75 -0.40 0.00 -1.38 0.00 0.00 54.79 51.18 1pkg n ASP 792 Cb 0.33 0.43 -0.05 0.00 -1.04 0.00 0.00 41.12 40.79 1pkg n ASP 792 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1pkg s LEU 793 N -2.53 4.56 0.00 -2.67 2.96 -1.26 -4.78 118.68 114.96 1pkg s LEU 793 Ca 0.06 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1pkg s LEU 793 Cb 0.27 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1pkg s LEU 793 CO -0.08 0.07 0.00 0.00 -1.32 0.00 0.00 176.35 175.02 1pkg n ALA 794 N 2.13 0.00 0.31 5.97 0.00 -1.26 -4.75 120.51 122.91 1pkg n ALA 794 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.62 1pkg n ALA 794 Cb 0.48 0.00 1.03 0.00 0.00 0.00 0.00 19.45 20.96 1pkg n ALA 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pkg h ALA 795 N 0.00 1.30 0.00 0.00 0.00 -1.93 0.40 119.26 119.04 1pkg h ALA 795 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pkg h ALA 795 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pkg h ALA 795 CO 0.00 -0.12 -0.19 0.07 0.00 0.00 0.00 179.25 179.01 1pkg h ARG 796 N 0.00 0.00 -0.47 0.00 0.11 -1.94 -0.01 114.38 112.07 1pkg h ARG 796 Ca 0.02 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.02 1pkg h ARG 796 Cb 0.22 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.25 1pkg h ARG 796 CO -0.00 0.19 0.07 0.09 0.10 0.00 0.00 179.97 180.42 1pkg n ASN 797 N -3.41 4.39 -4.08 0.08 3.02 0.14 -4.77 115.26 110.63 1pkg n ASN 797 Ca -0.00 -3.14 -0.32 0.00 -0.03 0.00 0.00 54.58 51.08 1pkg n ASN 797 Cb 0.38 -0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.91 2.22 0.12 2.41 -1.09 -1.02 -1.77 121.20 119.16 1pkg s ILE 798 Ca 0.49 -1.63 -0.26 0.00 -2.23 0.00 0.00 60.65 57.01 1pkg s ILE 798 Cb 0.39 -2.31 -0.07 0.00 -1.58 0.00 0.00 42.46 38.89 1pkg s ILE 798 CO 0.11 -0.04 0.80 -0.76 -1.23 0.00 0.00 174.94 173.81 1pkg s LEU 799 N 1.11 4.54 -0.08 2.97 1.43 0.06 0.37 118.68 129.08 1pkg s LEU 799 Ca -0.09 1.61 -0.04 0.00 -1.03 0.00 0.00 54.13 54.59 1pkg s LEU 799 Cb -0.20 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1pkg s LEU 799 CO -0.05 0.11 0.10 -0.22 0.23 0.00 0.00 176.35 176.52 1pkg s LEU 800 N -0.65 4.07 0.00 1.79 2.96 0.70 -1.55 118.68 126.00 1pkg s LEU 800 Ca 0.38 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1pkg s LEU 800 Cb -0.22 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1pkg s LEU 800 CO 0.26 0.36 0.00 1.07 -1.32 0.00 0.00 176.35 176.72 1pkg n THR 801 N 1.76 0.00 -0.01 3.68 5.66 0.03 -1.56 114.28 123.84 1pkg n THR 801 Ca -0.17 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1pkg n THR 801 Cb 0.54 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.28 1pkg n THR 801 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1pkg h HIS 802 N 0.00 -0.89 -0.47 1.09 3.86 -1.95 -2.07 115.15 114.71 1pkg h HIS 802 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1pkg h HIS 802 Cb 0.00 0.42 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1pkg h HIS 802 CO 0.00 -0.40 0.00 0.41 0.86 0.00 0.00 177.93 178.80 1pkg n GLY 803 N -1.41 2.16 2.27 2.45 0.00 -1.26 -4.75 105.19 104.65 1pkg n GLY 803 Ca -0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 0.71 -0.76 -2.38 1.61 3.00 -0.78 -5.04 116.66 113.01 1pkg n ARG 804 Ca 0.19 0.76 -0.42 0.00 -0.01 0.00 0.00 57.85 58.38 1pkg n ARG 804 Cb 0.75 -4.75 -0.03 0.00 0.00 0.00 0.00 32.46 28.43 1pkg n ARG 804 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1pkg s ILE 805 N -2.43 3.81 -0.09 0.55 1.01 -1.24 -4.82 121.20 117.99 1pkg s ILE 805 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 60.65 62.03 1pkg s ILE 805 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1pkg s ILE 805 CO 0.00 0.14 -0.11 0.42 0.00 0.00 0.00 174.94 175.40 1pkg s THR 806 N 0.68 3.30 -0.07 2.92 -4.23 -1.26 -0.79 115.64 116.20 1pkg s THR 806 Ca 0.57 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1pkg s THR 806 Cb -0.31 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1pkg s THR 806 CO 0.32 0.56 -0.22 -0.54 -0.54 0.00 0.00 174.62 174.19 1pkg s LYS 807 N -0.26 2.45 0.20 3.99 1.02 -0.59 -4.46 119.74 122.08 1pkg s LYS 807 Ca 0.02 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 1pkg s LYS 807 Cb -0.13 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.09 1pkg s LYS 807 CO 0.03 0.28 1.06 0.42 -0.92 0.00 0.00 175.35 176.22 1pkg s ILE 808 N 0.06 3.89 0.00 2.17 1.01 0.88 -0.76 121.20 128.46 1pkg s ILE 808 Ca -0.08 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1pkg s ILE 808 Cb -0.14 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1pkg s ILE 808 CO 0.05 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.31 1pkg n ASP 810 N -1.38 -5.41 -1.50 0.00 4.64 -1.26 -4.85 116.55 106.79 1pkg n ASP 810 Ca 0.00 1.33 -0.13 0.00 -1.38 0.00 0.00 54.79 54.61 1pkg n ASP 810 Cb 0.00 -4.95 0.09 0.00 -1.04 0.00 0.00 41.12 35.22 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 1.15 1.74 0.21 -0.67 3.01 -1.26 -4.75 117.46 116.89 1pkg n PHE 811 Ca -0.14 -1.96 0.11 0.00 1.01 0.00 0.00 57.45 56.47 1pkg n PHE 811 Cb 0.25 -0.32 0.15 0.00 -0.01 0.00 0.00 39.48 39.55 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 1.73 0.00 -1.14 1.37 0.00 -1.89 -3.27 103.07 99.87 1pkg h GLY 812 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1pkg h GLY 812 CO 0.49 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.07 1pkg n LEU 813 N -3.09 2.55 -4.83 3.11 4.77 -1.26 -4.64 117.00 113.60 1pkg n LEU 813 Ca 0.04 -1.61 -0.36 0.00 -0.03 0.00 0.00 56.01 54.05 1pkg n LEU 813 Cb 0.55 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1pkg n LEU 813 CO 0.35 0.59 0.30 0.00 -1.33 0.00 0.00 177.39 177.29 1pkg s ALA 814 N -0.97 3.53 0.02 -1.18 0.00 -1.20 -4.66 121.76 117.29 1pkg s ALA 814 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 1pkg s ALA 814 Cb 0.11 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1pkg s ALA 814 CO 0.15 0.41 0.01 1.03 0.00 0.00 0.00 175.76 177.36 1pkg s ARG 815 N -1.84 0.39 -0.04 0.00 3.00 -0.56 -4.98 118.95 114.92 1pkg s ARG 815 Ca 0.38 -0.64 0.14 0.00 0.00 0.00 0.00 55.73 55.61 1pkg s ARG 815 Cb -0.16 0.15 0.42 0.00 0.00 0.00 0.00 34.95 35.36 1pkg s ARG 815 CO 0.20 -0.08 1.35 -3.47 0.00 0.00 0.00 175.30 173.30 1pkg n ASP 816 N 1.36 3.38 0.00 0.23 -0.08 -1.26 -0.93 116.55 119.26 1pkg n ASP 816 Ca -0.22 -2.20 0.00 0.00 -1.51 0.00 0.00 54.79 50.86 1pkg n ASP 816 Cb 0.56 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1pkg n ASP 816 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1pkg n ARG 830 N 0.56 0.00 -4.09 -0.67 0.63 -1.26 -4.86 116.66 106.97 1pkg n ARG 830 Ca 0.16 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 57.00 1pkg n ARG 830 Cb 0.57 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.38 1pkg n ARG 830 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1pkg s LEU 831 N 0.00 1.93 -1.33 6.15 0.05 -1.26 -5.09 118.68 119.13 1pkg s LEU 831 Ca 0.00 -1.05 -0.17 0.00 0.05 0.00 0.00 54.13 52.95 1pkg s LEU 831 Cb 0.00 0.41 0.07 0.00 -2.05 0.00 0.00 46.19 44.61 1pkg s LEU 831 CO 0.00 -0.70 1.82 -0.81 -0.55 0.00 0.00 176.35 176.11 1pkg n PRO 832 N -0.03 3.15 -0.33 1.48 -0.04 -1.26 -4.89 135.00 133.08 1pkg n PRO 832 Ca -0.10 -3.18 0.21 0.00 -0.04 0.00 0.00 63.50 60.40 1pkg n PRO 832 Cb 0.63 -3.45 0.41 0.00 -0.04 0.00 0.00 33.50 31.04 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 5.27 0.06 0.00 0.52 2.07 -1.98 -0.29 116.25 121.89 1pkg h VAL 833 Ca 0.47 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 1pkg h VAL 833 Cb 0.83 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1pkg h VAL 833 CO 1.53 0.01 -0.06 0.11 0.02 0.00 0.00 177.57 179.18 1pkg h LYS 834 N 0.04 0.00 -0.00 1.57 1.57 -1.98 -1.33 116.57 116.45 1pkg h LYS 834 Ca 0.69 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.47 1pkg h LYS 834 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1pkg h LYS 834 CO -0.82 0.06 -0.80 0.91 -0.57 0.00 0.00 179.45 178.22 1pkg n TRP 835 N -3.62 0.00 -2.82 -1.35 8.01 -0.13 -4.98 117.44 112.56 1pkg n TRP 835 Ca -0.02 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.80 1pkg n TRP 835 Cb 0.16 -0.06 -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 -2.92 4.53 0.61 -0.99 -1.94 -0.50 -3.85 119.30 114.24 1pkg s MET 836 Ca 0.10 1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 55.18 1pkg s MET 836 Cb 0.17 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1pkg s MET 836 CO 0.78 0.28 1.13 0.00 -0.01 0.00 0.00 175.02 177.21 1pkg s ALA 837 N -1.63 2.56 0.52 3.03 0.00 -1.26 -4.92 121.76 120.06 1pkg s ALA 837 Ca 0.50 0.73 0.29 0.00 0.00 0.00 0.00 51.96 53.48 1pkg s ALA 837 Cb -0.18 -3.36 1.69 0.00 0.00 0.00 0.00 23.12 21.27 1pkg s ALA 837 CO 0.23 -1.08 2.19 -1.00 0.00 0.00 0.00 175.76 176.10 1pkg h PRO 838 N 0.61 0.00 0.03 0.00 0.13 -1.96 -2.41 132.00 128.40 1pkg h PRO 838 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1pkg h PRO 838 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1pkg h PRO 838 CO 0.55 0.05 -0.97 1.05 -0.23 0.00 0.00 178.00 178.45 1pkg h GLU 839 N 0.00 0.18 -0.30 0.86 9.09 -1.92 -0.51 114.58 121.99 1pkg h GLU 839 Ca -0.00 -0.23 -0.14 0.00 0.05 0.00 0.00 59.36 59.04 1pkg h GLU 839 Cb 0.13 0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1pkg h GLU 839 CO 0.01 1.01 -0.37 0.77 0.05 0.00 0.00 179.01 180.48 1pkg h SER 840 N 0.09 0.84 0.20 3.06 0.02 -1.26 -1.23 113.55 115.27 1pkg h SER 840 Ca -0.06 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1pkg h SER 840 Cb 1.63 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1pkg h SER 840 CO 0.15 1.16 -0.10 0.40 -1.14 0.00 0.00 176.83 177.30 1pkg h ILE 841 N 0.53 0.88 0.00 3.27 2.04 -1.38 -2.58 117.51 120.28 1pkg h ILE 841 Ca 0.04 -0.53 -0.20 0.00 1.00 0.00 0.00 64.86 65.16 1pkg h ILE 841 Cb 0.95 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1pkg h ILE 841 CO 0.09 0.12 -1.15 -0.26 0.00 0.00 0.00 178.15 176.95 1pkg h PHE 842 N -0.54 0.00 0.00 1.37 0.05 -1.16 -3.39 116.94 113.27 1pkg h PHE 842 Ca -0.03 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.76 1pkg h PHE 842 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.36 1pkg h PHE 842 CO 0.01 0.82 0.00 0.09 -0.18 0.00 0.00 178.31 179.05 1pkg n ASN 843 N -3.16 0.29 -0.62 2.17 3.02 -0.48 -5.02 115.26 111.46 1pkg n ASN 843 Ca -0.06 -0.64 -0.08 0.00 -0.03 0.00 0.00 54.58 53.77 1pkg n ASN 843 Cb 0.91 0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 40.34 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 -2.09 5.29 -0.06 0.00 0.11 -1.22 -4.95 120.40 117.47 1pkg s VAL 845 Ca 0.00 0.60 0.04 0.00 -2.93 0.00 0.00 61.98 59.69 1pkg s VAL 845 Cb 0.00 -3.65 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1pkg s VAL 845 CO 0.00 0.39 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.65 1pkg s TYR 846 N 0.42 2.05 0.36 1.54 1.51 -1.26 -2.77 117.35 119.20 1pkg s TYR 846 Ca 0.18 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1pkg s TYR 846 Cb -0.13 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1pkg s TYR 846 CO 0.05 -0.26 0.16 0.95 -1.11 0.00 0.00 175.55 175.33 1pkg s THR 847 N 0.18 0.45 0.63 -0.71 -4.23 -1.26 -4.98 115.64 105.72 1pkg s THR 847 Ca -0.10 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.78 1pkg s THR 847 Cb -0.14 -2.45 0.40 0.00 1.34 0.00 0.00 72.50 71.64 1pkg s THR 847 CO 0.05 0.00 2.27 -0.26 -0.54 0.00 0.00 174.62 176.13 1pkg h PHE 848 N 2.01 0.00 0.01 3.99 0.04 -1.98 -0.72 116.94 120.28 1pkg h PHE 848 Ca -0.33 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.24 1pkg h PHE 848 Cb 1.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 1pkg h PHE 848 CO 1.31 0.00 -0.90 0.93 -0.60 0.00 0.00 178.31 179.06 1pkg h GLU 849 N 0.00 0.05 -0.04 1.51 3.07 -1.93 -2.48 114.58 114.76 1pkg h GLU 849 Ca 0.01 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.70 1pkg h GLU 849 Cb 0.12 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1pkg h GLU 849 CO -0.00 0.91 -0.47 0.66 -1.40 0.00 0.00 179.01 178.71 1pkg h SER 850 N 0.03 0.10 -0.60 1.42 4.64 -1.51 -2.56 113.55 115.07 1pkg h SER 850 Ca -0.02 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1pkg h SER 850 Cb 1.57 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.60 1pkg h SER 850 CO 0.12 0.56 0.20 0.44 -0.87 0.00 0.00 176.83 177.29 1pkg h ASP 851 N 0.08 0.90 0.02 4.97 3.45 -1.38 -2.69 116.42 121.77 1pkg h ASP 851 Ca 0.00 -0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 1pkg h ASP 851 Cb 0.87 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1pkg h ASP 851 CO 0.07 0.84 -0.01 0.58 -1.57 0.00 0.00 179.24 179.15 1pkg h VAL 852 N 0.93 1.01 -0.81 -1.35 2.07 -1.08 -1.21 116.25 115.81 1pkg h VAL 852 Ca 0.21 -0.10 0.19 0.00 0.82 0.00 0.00 66.70 67.82 1pkg h VAL 852 Cb 0.27 1.08 -0.14 0.00 -1.52 0.00 0.00 31.29 30.97 1pkg h VAL 852 CO -0.01 0.03 0.00 -0.25 0.02 0.00 0.00 177.57 177.36 1pkg h TRP 853 N -0.07 -0.06 -0.08 1.57 2.91 -1.17 0.33 115.95 119.37 1pkg h TRP 853 Ca -0.00 0.06 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1pkg h TRP 853 Cb 0.06 0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.87 1pkg h TRP 853 CO -0.06 -0.28 0.04 0.77 -1.03 0.00 0.00 178.44 177.87 1pkg h SER 854 N 0.09 0.10 -0.95 2.65 0.02 -1.15 -1.69 113.55 112.61 1pkg h SER 854 Ca 0.45 -0.11 0.23 0.00 -0.84 0.00 0.00 61.79 61.52 1pkg h SER 854 Cb 0.82 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.21 1pkg h SER 854 CO -0.73 0.18 0.51 0.22 -1.14 0.00 0.00 176.83 175.87 1pkg h TYR 855 N 0.01 0.87 0.06 3.45 3.20 0.74 1.16 116.97 126.45 1pkg h TYR 855 Ca 0.03 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1pkg h TYR 855 Cb 0.10 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1pkg h TYR 855 CO -0.04 0.04 -0.44 0.78 -1.64 0.00 0.00 178.16 176.87 1pkg h GLY 856 N 0.53 -0.86 1.47 1.82 0.00 -0.23 -0.48 103.07 105.32 1pkg h GLY 856 Ca 0.60 0.53 0.03 0.00 0.00 0.00 0.00 47.33 48.49 1pkg h GLY 856 CO -0.48 -0.26 0.28 -2.22 0.00 0.00 0.00 176.54 173.86 1pkg h ILE 857 N -0.63 1.03 -0.77 2.60 1.08 0.18 -0.47 117.51 120.53 1pkg h ILE 857 Ca 0.03 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1pkg h ILE 857 Cb 0.68 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 1pkg h ILE 857 CO -0.29 0.08 0.48 0.15 -0.69 0.00 0.00 178.15 177.89 1pkg h PHE 858 N 0.45 1.00 0.00 1.37 3.57 0.13 -2.86 116.94 120.59 1pkg h PHE 858 Ca 0.17 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1pkg h PHE 858 Cb 0.13 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1pkg h PHE 858 CO -0.00 0.65 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.59 1pkg h LEU 859 N 1.05 0.00 0.06 0.59 3.38 0.58 -0.07 115.31 120.91 1pkg h LEU 859 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1pkg h LEU 859 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pkg h LEU 859 CO -0.06 0.08 -0.03 -0.25 0.09 0.00 0.00 178.44 178.27 1pkg h TRP 860 N 0.00 -0.08 -0.99 1.13 7.01 -1.31 -1.61 115.95 120.11 1pkg h TRP 860 Ca -0.00 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.20 1pkg h TRP 860 Cb 0.39 0.03 -0.19 0.00 -2.10 0.00 0.00 29.16 27.28 1pkg h TRP 860 CO 0.00 0.30 -0.21 0.93 -2.79 0.00 0.00 178.44 176.67 1pkg h GLU 861 N -0.99 0.00 -0.01 2.65 5.08 -1.33 0.64 114.58 120.62 1pkg h GLU 861 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pkg h GLU 861 Cb 0.41 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pkg h GLU 861 CO 0.01 0.00 0.01 1.25 -1.00 0.00 0.00 179.01 179.28 1pkg h LEU 862 N 0.00 0.02 -1.13 1.33 5.85 -1.01 0.57 115.31 120.94 1pkg h LEU 862 Ca 0.49 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1pkg h LEU 862 Cb 0.79 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1pkg h LEU 862 CO -1.00 0.01 -0.21 0.49 -0.34 0.00 0.00 178.44 177.39 1pkg n PHE 863 N -5.08 0.00 1.05 1.25 3.01 -0.61 -2.94 117.46 114.14 1pkg n PHE 863 Ca -0.07 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.51 1pkg n PHE 863 Cb 0.03 -0.03 0.08 0.00 -0.01 0.00 0.00 39.48 39.55 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 0.24 1.33 -2.59 4.37 3.41 0.22 -3.28 113.62 117.32 1pkg n SER 864 Ca 0.13 -1.07 -0.11 0.00 -0.26 0.00 0.00 58.87 57.56 1pkg n SER 864 Cb 0.45 0.52 0.06 0.00 -0.26 0.00 0.00 64.21 64.98 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 -0.76 -3.35 -0.06 1.04 4.77 -0.53 -4.15 117.00 113.96 1pkg n LEU 865 Ca 0.08 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1pkg n LEU 865 Cb 0.39 -2.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 1pkg n LEU 865 CO 0.33 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1pkg n GLY 866 N -1.09 0.97 3.86 -0.72 0.00 0.08 -4.25 105.19 104.04 1pkg n GLY 866 Ca -0.19 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1pkg n GLY 866 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pkg s SER 867 N -2.63 6.42 0.25 1.61 0.01 -1.26 -4.82 113.70 113.28 1pkg s SER 867 Ca 0.00 1.44 -0.30 0.00 1.31 0.00 0.00 55.95 58.40 1pkg s SER 867 Cb 0.00 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1pkg s SER 867 CO 0.00 -0.70 0.95 -0.44 0.41 0.00 0.00 173.24 173.46 1pkg s SER 868 N -3.62 7.61 0.40 2.44 0.01 -1.26 -4.60 113.70 114.68 1pkg s SER 868 Ca 0.56 1.95 -0.27 0.00 1.31 0.00 0.00 55.95 59.51 1pkg s SER 868 Cb -0.10 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 1pkg s SER 868 CO 0.42 0.13 1.36 -2.84 0.41 0.00 0.00 173.24 172.73 1pkg s PRO 869 N -1.26 3.98 -1.06 12.44 0.02 -1.26 -3.25 135.00 144.61 1pkg s PRO 869 Ca 0.42 2.30 -0.18 0.00 0.02 0.00 0.00 61.00 63.56 1pkg s PRO 869 Cb -0.26 -2.81 -0.00 0.00 0.02 0.00 0.00 34.50 31.45 1pkg s PRO 869 CO 0.32 -0.53 0.75 0.66 -0.33 0.00 0.00 177.00 177.86 1pkg n TYR 870 N 0.21 -1.98 -2.67 6.54 4.02 -1.26 -4.80 117.16 117.22 1pkg n TYR 870 Ca 0.03 0.53 -0.43 0.00 -0.01 0.00 0.00 57.90 58.02 1pkg n TYR 870 Cb 0.42 -3.33 -0.02 0.00 -0.02 0.00 0.00 39.34 36.39 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 -5.69 4.19 0.00 -0.72 0.04 -1.20 -2.37 135.00 129.25 1pkg s PRO 871 Ca 0.36 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1pkg s PRO 871 Cb -0.14 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1pkg s PRO 871 CO 0.87 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1pkg n GLY 872 N 3.51 2.43 3.51 0.56 0.00 -1.26 -5.08 105.19 108.86 1pkg n GLY 872 Ca 0.12 -0.79 -0.57 0.00 0.00 0.00 0.00 46.02 44.78 1pkg n GLY 872 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pkg n MET 873 N 0.00 0.75 -2.15 1.61 0.00 -1.00 -4.96 117.12 111.37 1pkg n MET 873 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 57.70 57.59 1pkg n MET 873 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 33.22 31.20 1pkg n MET 873 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1pkg s PRO 874 N 5.04 3.23 -0.68 2.12 0.02 -1.26 -4.95 135.00 138.52 1pkg s PRO 874 Ca 1.08 1.59 -0.27 0.00 0.02 0.00 0.00 61.00 63.42 1pkg s PRO 874 Cb -1.14 -1.99 0.02 0.00 0.02 0.00 0.00 34.50 31.41 1pkg s PRO 874 CO 0.61 -0.95 1.43 0.08 -0.33 0.00 0.00 177.00 177.84 1pkg s VAL 875 N -1.85 3.66 0.20 3.83 1.01 -1.26 -4.51 120.40 121.47 1pkg s VAL 875 Ca 0.72 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1pkg s VAL 875 Cb -0.24 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.52 1pkg s VAL 875 CO 0.30 -1.53 0.27 -0.90 0.00 0.00 0.00 175.10 173.24 1pkg n ASP 876 N 10.12 -0.75 -0.32 3.32 3.85 -1.26 -4.97 116.55 126.54 1pkg n ASP 876 Ca 0.08 -2.09 0.20 0.00 -0.71 0.00 0.00 54.79 52.27 1pkg n ASP 876 Cb 0.50 1.41 0.41 0.00 -1.35 0.00 0.00 41.12 42.09 1pkg n ASP 876 CO 0.00 0.00 0.00 -1.28 -1.01 0.00 0.00 177.20 174.91 1pkg h SER 877 N 1.13 0.24 0.34 -1.12 0.87 -2.00 0.46 113.55 113.48 1pkg h SER 877 Ca -0.15 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1pkg h SER 877 Cb 0.68 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1pkg h SER 877 CO 0.21 -0.19 -0.17 0.11 -0.53 0.00 0.00 176.83 176.27 1pkg h LYS 878 N 0.23 -0.44 -0.85 2.24 1.79 -1.96 -2.68 116.57 114.90 1pkg h LYS 878 Ca 0.67 0.03 0.19 0.00 -2.18 0.00 0.00 60.65 59.36 1pkg h LYS 878 Cb 1.50 0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 32.14 1pkg h LYS 878 CO -0.66 -0.13 0.35 0.35 -1.08 0.00 0.00 179.45 178.27 1pkg h PHE 879 N -0.79 0.58 0.56 -1.35 3.04 -1.17 0.38 116.94 118.19 1pkg h PHE 879 Ca -0.05 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1pkg h PHE 879 Cb 0.52 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 38.91 1pkg h PHE 879 CO 0.02 -0.01 -0.27 1.88 -2.02 0.00 0.00 178.31 177.91 1pkg h TYR 880 N 0.41 -0.69 -0.83 0.41 0.99 -1.36 -1.20 116.97 114.70 1pkg h TYR 880 Ca 0.51 -0.02 0.20 0.00 2.00 0.00 0.00 58.73 61.42 1pkg h TYR 880 Cb 0.89 0.23 -0.05 0.00 1.00 0.00 0.00 36.73 38.80 1pkg h TYR 880 CO -0.16 -0.43 0.57 -0.22 -0.00 0.00 0.00 178.16 177.92 1pkg h LYS 881 N -0.80 0.25 0.07 4.88 3.64 -1.00 0.18 116.57 123.78 1pkg h LYS 881 Ca -0.08 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1pkg h LYS 881 Cb 0.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1pkg h LYS 881 CO 0.13 0.16 -0.03 0.52 -2.27 0.00 0.00 179.45 177.96 1pkg h MET 882 N 0.25 -0.09 0.60 1.90 2.86 -0.20 -1.98 114.93 118.28 1pkg h MET 882 Ca 0.42 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1pkg h MET 882 Cb 1.24 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1pkg h MET 882 CO -0.10 0.21 -0.41 0.82 1.06 0.00 0.00 176.91 178.48 1pkg h ILE 883 N -0.38 0.00 -0.96 -1.22 1.08 0.19 -1.79 117.51 114.43 1pkg h ILE 883 Ca -0.01 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.70 1pkg h ILE 883 Cb 0.33 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.91 1pkg h ILE 883 CO 0.02 0.00 -0.03 0.50 -0.69 0.00 0.00 178.15 177.94 1pkg h LYS 884 N -0.97 0.02 -0.36 2.37 1.63 -0.76 -1.46 116.57 117.04 1pkg h LYS 884 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1pkg h LYS 884 Cb 0.79 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1pkg h LYS 884 CO 0.05 0.01 0.00 0.39 -3.45 0.00 0.00 179.45 176.45 1pkg n GLU 885 N -5.50 1.43 0.00 1.90 1.02 -0.75 -4.85 120.64 113.90 1pkg n GLU 885 Ca 0.20 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 1pkg n GLU 885 Cb 0.67 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 0.54 2.03 3.70 0.62 0.00 -0.55 -5.06 105.19 106.48 1pkg n GLY 886 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1pkg n GLY 886 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pkg s PHE 887 N -2.25 2.64 0.29 1.61 2.19 -0.69 -5.01 117.98 116.76 1pkg s PHE 887 Ca 0.00 0.40 0.03 0.00 0.33 0.00 0.00 56.93 57.69 1pkg s PHE 887 Cb 0.00 -3.98 -0.06 0.00 -1.31 0.00 0.00 43.02 37.68 1pkg s PHE 887 CO 0.00 -3.81 0.04 1.03 1.83 0.00 0.00 175.22 174.31 1pkg s ARG 888 N 2.07 1.52 0.65 10.12 1.81 -1.26 -4.41 118.95 129.46 1pkg s ARG 888 Ca 0.73 -1.82 -0.11 0.00 -1.72 0.00 0.00 55.73 52.81 1pkg s ARG 888 Cb -0.42 -0.71 -0.02 0.00 -0.45 0.00 0.00 34.95 33.35 1pkg s ARG 888 CO 0.32 -0.17 1.04 -1.64 -0.68 0.00 0.00 175.30 174.17 1pkg s MET 889 N -3.90 3.29 0.51 3.54 -1.94 -1.26 -5.08 119.30 114.45 1pkg s MET 889 Ca 0.34 0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 55.16 1pkg s MET 889 Cb 0.08 -2.04 -0.00 0.00 2.01 0.00 0.00 34.83 34.88 1pkg s MET 889 CO 0.13 -0.82 0.77 -0.51 -0.01 0.00 0.00 175.02 174.58 1pkg s LEU 890 N -5.30 3.49 0.13 -0.03 1.02 -1.26 -5.00 118.68 111.72 1pkg s LEU 890 Ca 0.57 0.49 -0.35 0.00 0.02 0.00 0.00 54.13 54.86 1pkg s LEU 890 Cb -0.12 -3.35 -0.15 0.00 0.02 0.00 0.00 46.19 42.58 1pkg s LEU 890 CO 0.53 -0.83 1.52 -0.24 0.02 0.00 0.00 176.35 177.35 1pkg n SER 891 N -2.28 2.66 -4.63 2.29 2.88 -1.26 -4.93 113.62 108.34 1pkg n SER 891 Ca 0.02 1.09 -0.31 0.00 -1.33 0.00 0.00 58.87 58.35 1pkg n SER 891 Cb 0.57 -1.35 0.18 0.00 -0.75 0.00 0.00 64.21 62.86 1pkg n SER 891 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1pkg n PRO 892 N 3.27 -0.66 0.19 -1.46 -0.02 -1.26 -4.89 135.00 130.17 1pkg n PRO 892 Ca 0.18 -0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 1pkg n PRO 892 Cb 0.26 -2.33 0.69 0.00 -0.02 0.00 0.00 33.50 32.10 1pkg n PRO 892 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pkg h GLU 893 N -1.96 0.00 0.00 -0.52 4.39 -1.92 -3.14 114.58 111.43 1pkg h GLU 893 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1pkg h GLU 893 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1pkg h GLU 893 CO 0.41 0.00 -0.09 0.72 -1.16 0.00 0.00 179.01 178.89 1pkg n HIS 894 N -4.38 0.00 -3.40 4.33 8.25 -1.20 -5.03 115.22 113.79 1pkg n HIS 894 Ca 0.01 -0.65 -0.39 0.00 -0.26 0.00 0.00 57.72 56.42 1pkg n HIS 894 Cb 0.24 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.78 3.55 0.43 -1.41 0.00 -1.19 -4.99 121.76 116.36 1pkg s ALA 895 Ca 0.18 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 1pkg s ALA 895 Cb 0.15 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.45 1pkg s ALA 895 CO 0.02 -0.74 1.18 -2.30 0.00 0.00 0.00 175.76 173.92 1pkg n PRO 896 N 5.34 1.71 -0.35 0.00 -0.02 -1.26 -4.67 135.00 135.76 1pkg n PRO 896 Ca -0.09 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1pkg n PRO 896 Cb 0.51 -2.27 0.21 0.00 -0.02 0.00 0.00 33.50 31.93 1pkg n PRO 896 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkg n ALA 897 N -0.34 0.36 0.56 3.55 0.00 -1.26 -0.05 120.51 123.33 1pkg n ALA 897 Ca 0.08 1.07 0.13 0.00 0.00 0.00 0.00 53.44 54.72 1pkg n ALA 897 Cb 0.40 -0.71 0.32 0.00 0.00 0.00 0.00 19.45 19.46 1pkg n ALA 897 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pkg h GLU 898 N 0.00 0.00 0.08 0.00 9.09 -1.97 -0.49 114.58 121.29 1pkg h GLU 898 Ca 0.53 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.70 1pkg h GLU 898 Cb 0.96 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.08 1pkg h GLU 898 CO -0.97 0.00 -1.00 0.52 0.05 0.00 0.00 179.01 177.61 1pkg h MET 899 N 0.00 0.53 -0.17 1.06 2.86 -0.81 -2.04 114.93 116.36 1pkg h MET 899 Ca 0.00 -0.68 -0.11 0.00 -2.06 0.00 0.00 59.70 56.85 1pkg h MET 899 Cb 0.78 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1pkg h MET 899 CO 0.00 1.29 -0.38 -0.92 1.06 0.00 0.00 176.91 177.96 1pkg h TYR 900 N 0.09 0.42 -0.76 -0.22 3.20 -1.10 -2.06 116.97 116.54 1pkg h TYR 900 Ca -0.15 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 61.71 1pkg h TYR 900 Cb 1.70 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.80 1pkg h TYR 900 CO 0.14 0.69 0.40 -0.44 -1.64 0.00 0.00 178.16 177.31 1pkg h ASP 901 N 0.31 0.54 -0.26 -2.11 3.45 -1.12 -1.48 116.42 115.74 1pkg h ASP 901 Ca 0.03 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 1pkg h ASP 901 Cb 0.80 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 1pkg h ASP 901 CO 0.06 0.30 0.16 0.40 -1.57 0.00 0.00 179.24 178.59 1pkg h ILE 902 N 0.67 1.09 -0.56 0.35 2.04 -0.67 -3.14 117.51 117.29 1pkg h ILE 902 Ca 0.38 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1pkg h ILE 902 Cb 0.40 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1pkg h ILE 902 CO -0.27 0.09 0.28 0.24 0.00 0.00 0.00 178.15 178.49 1pkg h MET 903 N 0.33 0.80 -0.82 2.37 2.86 -1.04 -1.39 114.93 118.04 1pkg h MET 903 Ca 0.09 -0.11 0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1pkg h MET 903 Cb 0.01 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 1pkg h MET 903 CO -0.02 0.64 0.54 0.87 1.06 0.00 0.00 176.91 180.00 1pkg h LYS 904 N 0.76 0.55 0.00 1.72 1.57 -1.25 -0.18 116.57 119.74 1pkg h LYS 904 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1pkg h LYS 904 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1pkg h LYS 904 CO -0.03 0.36 -1.11 0.25 -0.57 0.00 0.00 179.45 178.35 1pkg n THR 905 N -4.52 0.62 0.01 -0.16 -2.24 -0.88 -3.05 114.28 104.06 1pkg n THR 905 Ca 0.16 -0.56 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1pkg n THR 905 Cb 0.48 -0.34 0.17 0.00 -2.10 0.00 0.00 70.33 68.54 1pkg n THR 905 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pkg n TRP 907 N -4.08 1.50 -2.25 0.00 8.01 -0.20 -3.83 117.44 116.58 1pkg n TRP 907 Ca -0.01 -1.52 -0.42 0.00 -1.31 0.00 0.00 57.50 54.24 1pkg n TRP 907 Cb 0.45 -0.75 -0.03 0.00 -2.01 0.00 0.00 31.31 28.96 1pkg n TRP 907 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1pkg s ASP 908 N 0.04 6.86 0.26 -0.99 2.15 -1.15 -4.91 116.67 118.92 1pkg s ASP 908 Ca 0.29 2.04 -0.03 0.00 0.43 0.00 0.00 52.55 55.28 1pkg s ASP 908 Cb 0.23 -2.55 0.43 0.00 -0.30 0.00 0.00 42.92 40.74 1pkg s ASP 908 CO 0.03 -0.74 1.82 0.00 -0.17 0.00 0.00 175.17 176.11 1pkg h ALA 909 N 8.07 1.27 -2.40 3.66 0.00 -1.92 -3.34 119.26 124.61 1pkg h ALA 909 Ca -0.36 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.96 1pkg h ALA 909 Cb 1.17 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 1pkg h ALA 909 CO 0.92 0.15 0.20 0.34 0.00 0.00 0.00 179.25 180.86 1pkg s ASP 910 N -5.65 6.56 0.41 0.00 2.15 -1.26 -4.94 116.67 113.95 1pkg s ASP 910 Ca -0.12 0.57 0.14 0.00 0.43 0.00 0.00 52.55 53.56 1pkg s ASP 910 Cb 0.20 -2.35 1.00 0.00 -0.30 0.00 0.00 42.92 41.47 1pkg s ASP 910 CO 0.79 -0.47 1.93 -0.65 -0.17 0.00 0.00 175.17 176.60 1pkg h PRO 911 N 8.07 0.46 0.00 4.34 0.11 -1.98 -2.83 132.00 140.17 1pkg h PRO 911 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1pkg h PRO 911 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pkg h PRO 911 CO 0.81 0.30 0.00 1.28 -0.21 0.00 0.00 178.00 180.18 1pkg n LEU 912 N -4.49 0.00 -0.00 2.35 4.77 -1.26 -2.44 117.00 115.94 1pkg n LEU 912 Ca 0.14 0.43 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1pkg n LEU 912 Cb 0.47 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1pkg n LEU 912 CO 0.33 -0.18 -0.24 1.17 -1.33 0.00 0.00 177.39 177.14 1pkg n LYS 913 N -1.43 0.21 -2.05 3.23 4.81 -1.07 -4.94 118.16 116.93 1pkg n LYS 913 Ca 0.06 -0.06 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1pkg n LYS 913 Cb 0.18 -1.51 0.02 0.00 0.02 0.00 0.00 35.03 33.74 1pkg n LYS 913 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1pkg s ARG 914 N -3.17 3.24 0.85 1.64 0.52 -1.02 -4.99 118.95 116.03 1pkg s ARG 914 Ca 0.03 1.87 -0.11 0.00 -0.52 0.00 0.00 55.73 57.00 1pkg s ARG 914 Cb 0.15 -2.12 0.11 0.00 0.52 0.00 0.00 34.95 33.61 1pkg s ARG 914 CO 0.87 -1.00 1.14 -1.25 0.02 0.00 0.00 175.30 175.08 1pkg s PRO 915 N -3.08 1.52 0.78 3.54 0.04 -1.26 -5.05 135.00 131.48 1pkg s PRO 915 Ca 0.72 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 1pkg s PRO 915 Cb -0.31 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1pkg s PRO 915 CO 0.36 -2.25 1.15 0.95 0.04 0.00 0.00 177.00 177.25 1pkg s THR 916 N -2.63 2.48 0.18 1.26 -4.23 -1.26 -4.93 115.64 106.52 1pkg s THR 916 Ca 0.66 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1pkg s THR 916 Cb -0.22 -3.15 -0.08 0.00 1.34 0.00 0.00 72.50 70.39 1pkg s THR 916 CO 0.56 -0.20 1.47 -0.26 -0.54 0.00 0.00 174.62 175.64 1pkg h PHE 917 N -0.94 0.65 -0.27 3.99 0.04 -1.94 -0.69 116.94 117.79 1pkg h PHE 917 Ca -0.46 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.07 1pkg h PHE 917 Cb 1.31 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1pkg h PHE 917 CO 0.37 1.00 0.15 0.87 -0.60 0.00 0.00 178.31 180.10 1pkg h LYS 918 N 0.37 0.31 -0.36 1.51 1.79 -1.91 0.46 116.57 118.74 1pkg h LYS 918 Ca -0.01 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1pkg h LYS 918 Cb 1.19 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 1pkg h LYS 918 CO 0.11 0.20 0.25 1.96 -1.08 0.00 0.00 179.45 180.89 1pkg h GLN 919 N 0.32 0.29 -0.37 3.15 4.20 -1.93 -2.78 115.11 117.98 1pkg h GLN 919 Ca 0.11 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.64 1pkg h GLN 919 Cb 0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1pkg h GLN 919 CO -0.05 0.19 -0.40 0.82 -0.67 0.00 0.00 178.83 178.72 1pkg h ILE 920 N 0.30 1.27 0.10 2.54 2.04 0.55 -3.06 117.51 121.24 1pkg h ILE 920 Ca 0.16 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.45 1pkg h ILE 920 Cb 0.25 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1pkg h ILE 920 CO -0.03 0.53 -0.15 0.58 0.00 0.00 0.00 178.15 179.08 1pkg h VAL 921 N 0.75 0.66 0.00 1.67 2.07 -0.71 -2.35 116.25 118.34 1pkg h VAL 921 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1pkg h VAL 921 Cb 0.99 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1pkg h VAL 921 CO 0.10 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.23 1pkg h GLN 922 N -0.30 0.00 0.00 1.57 1.08 -1.58 0.37 115.11 116.25 1pkg h GLN 922 Ca 0.02 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 1pkg h GLN 922 Cb 0.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1pkg h GLN 922 CO -0.07 0.01 -0.72 -0.07 -0.95 0.00 0.00 178.83 177.03 1pkg h LEU 923 N 0.00 0.00 0.12 1.46 3.38 -1.33 -2.76 115.31 116.19 1pkg h LEU 923 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1pkg h LEU 923 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pkg h LEU 923 CO 0.00 0.72 -1.63 0.40 0.09 0.00 0.00 178.44 178.02 1pkg h ILE 924 N 0.00 1.04 -0.32 1.22 2.04 -0.87 -3.21 117.51 117.41 1pkg h ILE 924 Ca -0.01 -2.69 -0.00 0.00 1.00 0.00 0.00 64.86 63.16 1pkg h ILE 924 Cb 1.53 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 40.31 1pkg h ILE 924 CO 0.09 0.81 0.19 -0.33 0.00 0.00 0.00 178.15 178.92 1pkg h GLU 925 N 0.07 0.44 -0.75 2.37 4.39 -1.04 0.45 114.58 120.50 1pkg h GLU 925 Ca -0.28 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.55 1pkg h GLU 925 Cb 2.03 -0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 30.46 1pkg h GLU 925 CO 0.15 0.33 -0.01 0.87 -1.16 0.00 0.00 179.01 179.20 1pkg h LYS 926 N 0.41 0.09 -0.57 2.33 1.57 -1.64 -1.98 116.57 116.79 1pkg h LYS 926 Ca 0.12 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1pkg h LYS 926 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1pkg h LYS 926 CO -0.02 0.06 0.20 1.96 -0.57 0.00 0.00 179.45 181.08 1pkg h GLN 927 N 0.10 0.87 -1.69 3.15 4.20 -1.02 -3.17 115.11 117.55 1pkg h GLN 927 Ca 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1pkg h GLN 927 Cb 0.71 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1pkg h GLN 927 CO -0.67 0.77 0.00 -0.89 -0.67 0.00 0.00 178.83 177.38 1pkg n ILE 928 N -4.45 0.96 -1.95 2.54 5.41 0.14 -5.09 119.36 116.91 1pkg n ILE 928 Ca 0.03 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1pkg n ILE 928 Cb 0.19 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 1pkg n ILE 928 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35