#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvu s MET 567 N 0.00 3.73 0.35 3.69 -2.45 -1.26 -5.10 119.30 118.27 1nvu s MET 567 Ca 0.00 -0.40 -0.25 0.00 -1.25 0.00 0.00 55.69 53.78 1nvu s MET 567 Cb 0.00 -3.06 -0.10 0.00 1.25 0.00 0.00 34.83 32.93 1nvu s MET 567 CO 0.00 0.33 0.99 1.03 1.05 0.00 0.00 175.02 178.43 1nvu s ARG 568 N 0.16 4.43 0.34 4.11 0.52 -1.26 -5.07 118.95 122.18 1nvu s ARG 568 Ca 0.02 1.42 0.07 0.00 -0.52 0.00 0.00 55.73 56.72 1nvu s ARG 568 Cb -0.13 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 1nvu s ARG 568 CO 0.01 0.12 0.32 -0.51 0.02 0.00 0.00 175.30 175.26 1nvu s LEU 569 N -2.25 3.64 0.93 2.53 1.43 -1.26 -5.05 118.68 118.65 1nvu s LEU 569 Ca 0.53 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1nvu s LEU 569 Cb -0.20 -2.28 0.15 0.00 0.03 0.00 0.00 46.19 43.89 1nvu s LEU 569 CO 0.26 -0.37 1.10 -2.84 0.23 0.00 0.00 176.35 174.73 1nvu s PRO 570 N -4.02 0.92 0.15 1.29 0.02 -1.26 -4.92 135.00 127.17 1nvu s PRO 570 Ca 0.42 1.22 -0.31 0.00 0.02 0.00 0.00 61.00 62.35 1nvu s PRO 570 Cb -0.06 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 1nvu s PRO 570 CO 0.27 -2.59 1.31 -1.12 -0.33 0.00 0.00 177.00 174.54 1nvu s SER 571 N -2.91 6.92 0.00 2.53 0.01 -1.26 -4.84 113.70 114.14 1nvu s SER 571 Ca 0.65 2.30 0.02 0.00 1.31 0.00 0.00 55.95 60.24 1nvu s SER 571 Cb -0.21 -2.60 0.11 0.00 0.21 0.00 0.00 66.02 63.54 1nvu s SER 571 CO 0.59 -0.55 0.78 0.00 0.41 0.00 0.00 173.24 174.46 1nvu n ALA 572 N 3.29 1.41 0.13 1.44 0.00 -1.26 -0.89 120.51 124.64 1nvu n ALA 572 Ca 0.08 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1nvu n ALA 572 Cb 0.43 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1nvu n ALA 572 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nvu n ASP 573 N -1.18 0.83 -0.01 0.00 8.00 -1.26 -4.12 116.55 118.80 1nvu n ASP 573 Ca 0.01 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1nvu n ASP 573 Cb 0.01 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1nvu n ASP 573 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nvu n VAL 574 N -2.63 0.00 -3.33 2.53 0.24 -0.07 -4.94 118.33 110.14 1nvu n VAL 574 Ca 0.00 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.73 1nvu n VAL 574 Cb 0.54 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 1nvu n VAL 574 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1nvu s TYR 575 N -0.15 -0.93 0.02 6.34 5.04 -0.64 -4.90 117.35 122.12 1nvu s TYR 575 Ca 0.00 0.96 0.32 0.00 -2.44 0.00 0.00 57.07 55.91 1nvu s TYR 575 Cb 0.00 0.10 1.42 0.00 0.35 0.00 0.00 41.96 43.83 1nvu s TYR 575 CO 0.00 -0.74 1.95 0.00 -1.34 0.00 0.00 175.55 175.43 1nvu h ARG 576 N 8.16 0.00 -0.72 4.97 3.08 -1.85 -3.16 114.38 124.86 1nvu h ARG 576 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1nvu h ARG 576 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1nvu h ARG 576 CO 0.27 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.36 1nvu n PHE 577 N -2.81 0.78 0.44 3.04 3.01 -1.26 -3.67 117.46 117.00 1nvu n PHE 577 Ca 0.00 -0.28 0.05 0.00 1.01 0.00 0.00 57.45 58.23 1nvu n PHE 577 Cb 0.23 -0.22 0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1nvu n PHE 577 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nvu n ALA 578 N 0.29 2.62 -1.72 4.37 0.00 -1.19 -5.01 120.51 119.87 1nvu n ALA 578 Ca 0.11 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1nvu n ALA 578 Cb 0.57 -0.35 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 1nvu n ALA 578 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nvu n GLU 579 N 0.26 2.22 -1.51 0.00 -0.58 -1.24 -4.78 120.64 115.01 1nvu n GLU 579 Ca 0.05 0.78 -0.32 0.00 -0.42 0.00 0.00 57.16 57.26 1nvu n GLU 579 Cb 0.24 -2.42 0.07 0.00 -0.57 0.00 0.00 31.44 28.76 1nvu n GLU 579 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1nvu s PRO 580 N -2.00 2.56 0.35 3.49 0.04 -1.26 -4.98 135.00 133.20 1nvu s PRO 580 Ca 0.56 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 1nvu s PRO 580 Cb -0.53 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 1nvu s PRO 580 CO 0.62 -1.42 1.18 -0.51 0.04 0.00 0.00 177.00 176.92 1nvu s ASP 581 N -3.08 6.79 0.12 6.66 1.01 -1.26 -4.98 116.67 121.94 1nvu s ASP 581 Ca 0.63 2.41 -0.14 0.00 0.71 0.00 0.00 52.55 56.17 1nvu s ASP 581 Cb -0.18 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.14 1nvu s ASP 581 CO 0.49 -0.49 0.34 -0.94 0.21 0.00 0.00 175.17 174.78 1nvu s SER 582 N -0.90 -0.12 0.00 0.27 1.04 -1.26 -5.00 113.70 107.73 1nvu s SER 582 Ca 0.51 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1nvu s SER 582 Cb -0.33 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1nvu s SER 582 CO 0.43 -0.83 0.97 -0.62 0.98 0.00 0.00 173.24 174.16 1nvu n GLU 583 N -0.18 0.00 0.00 4.02 -0.58 -1.26 -1.09 120.64 121.55 1nvu n GLU 583 Ca -0.15 0.42 0.11 0.00 -0.42 0.00 0.00 57.16 57.12 1nvu n GLU 583 Cb 0.63 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 30.07 1nvu n GLU 583 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nvu n GLU 584 N -1.43 0.61 0.00 3.49 1.02 -1.26 -4.51 120.64 118.56 1nvu n GLU 584 Ca 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1nvu n GLU 584 Cb 0.01 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1nvu n GLU 584 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nvu n ASN 585 N -0.79 0.08 -3.65 1.62 2.04 -0.25 -4.90 115.26 109.41 1nvu n ASN 585 Ca 0.08 -0.23 -0.11 0.00 -0.44 0.00 0.00 54.58 53.88 1nvu n ASN 585 Cb 0.39 0.48 -0.08 0.00 -2.53 0.00 0.00 39.78 38.04 1nvu n ASN 585 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 1nvu s ILE 586 N -0.50 -0.00 -0.04 1.53 2.07 -0.70 -1.40 121.20 122.16 1nvu s ILE 586 Ca 0.00 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1nvu s ILE 586 Cb 0.00 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1nvu s ILE 586 CO 0.00 0.00 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.26 1nvu s ILE 587 N 0.95 1.23 0.14 2.00 1.01 0.15 -4.29 121.20 122.38 1nvu s ILE 587 Ca -0.05 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1nvu s ILE 587 Cb -0.05 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1nvu s ILE 587 CO -0.09 0.36 0.15 -0.36 0.00 0.00 0.00 174.94 175.01 1nvu s PHE 588 N 0.17 3.23 0.07 3.97 0.08 -1.26 -0.30 117.98 123.94 1nvu s PHE 588 Ca -0.05 0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 1nvu s PHE 588 Cb -0.11 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1nvu s PHE 588 CO 0.02 0.52 1.07 -2.00 -0.10 0.00 0.00 175.22 174.74 1nvu s GLU 589 N -2.92 4.54 0.00 0.44 2.56 0.19 -4.65 118.70 118.87 1nvu s GLU 589 Ca 0.31 1.60 -0.16 0.00 0.00 0.00 0.00 54.97 56.72 1nvu s GLU 589 Cb -0.11 -3.38 -0.20 0.00 2.00 0.00 0.00 34.13 32.45 1nvu s GLU 589 CO 0.24 -0.06 1.08 0.39 -0.56 0.00 0.00 175.26 176.36 1nvu n GLU 590 N 3.45 0.00 -0.49 4.30 -0.58 -1.26 -4.65 120.64 121.41 1nvu n GLU 590 Ca 0.06 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 1nvu n GLU 590 Cb 0.48 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1nvu n GLU 590 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nvu n GLY 597 N 4.27 -1.28 3.94 0.62 0.00 -1.26 -5.13 105.19 106.35 1nvu n GLY 597 Ca 0.24 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1nvu n GLY 597 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvu s ILE 598 N 0.00 4.53 0.60 -0.61 -4.36 -1.26 -5.07 121.20 115.04 1nvu s ILE 598 Ca 0.00 -0.37 -0.18 0.00 -0.26 0.00 0.00 60.65 59.83 1nvu s ILE 598 Cb 0.00 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.00 1nvu s ILE 598 CO 0.00 -0.49 1.20 -2.84 0.24 0.00 0.00 174.94 173.04 1nvu s PRO 599 N -4.50 2.92 -0.18 0.37 0.02 -1.26 -5.02 135.00 127.35 1nvu s PRO 599 Ca 0.45 1.78 0.01 0.00 0.02 0.00 0.00 61.00 63.26 1nvu s PRO 599 Cb -0.10 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1nvu s PRO 599 CO 0.38 -1.23 -0.18 0.42 -0.33 0.00 0.00 177.00 176.06 1nvu s ILE 600 N -1.67 2.28 -0.11 2.83 1.01 -1.26 -5.05 121.20 119.22 1nvu s ILE 600 Ca 0.76 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 1nvu s ILE 600 Cb -0.29 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1nvu s ILE 600 CO 0.34 0.52 0.92 -0.63 0.00 0.00 0.00 174.94 176.09 1nvu s ILE 601 N 1.20 4.85 -0.15 2.92 1.01 -1.26 0.57 121.20 130.34 1nvu s ILE 601 Ca 0.02 1.85 -0.10 0.00 0.00 0.00 0.00 60.65 62.43 1nvu s ILE 601 Cb -0.14 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 1nvu s ILE 601 CO -0.09 0.05 0.30 1.17 0.00 0.00 0.00 174.94 176.37 1nvu n LYS 602 N 4.85 0.71 -3.60 2.79 4.81 0.58 -4.23 118.16 124.08 1nvu n LYS 602 Ca 0.06 0.33 -0.10 0.00 -0.87 0.00 0.00 58.31 57.72 1nvu n LYS 602 Cb 0.49 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.81 1nvu n LYS 602 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nvu s ALA 603 N -2.51 -1.35 0.00 3.14 0.00 -0.97 -1.47 121.76 118.59 1nvu s ALA 603 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1nvu s ALA 603 Cb 0.07 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1nvu s ALA 603 CO 0.72 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1nvu n GLY 604 N -0.39 0.63 3.84 0.00 0.00 -0.87 -0.68 105.19 107.72 1nvu n GLY 604 Ca -0.12 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1nvu n GLY 604 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nvu s THR 605 N -2.00 3.85 0.25 2.61 -4.23 -0.49 -0.45 115.64 115.18 1nvu s THR 605 Ca 0.00 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1nvu s THR 605 Cb 0.00 -3.45 0.23 0.00 1.34 0.00 0.00 72.50 70.63 1nvu s THR 605 CO 0.00 -0.79 1.84 0.58 -0.54 0.00 0.00 174.62 175.71 1nvu h VAL 606 N -0.71 0.99 -0.90 2.29 2.07 -1.94 0.08 116.25 118.13 1nvu h VAL 606 Ca -0.45 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1nvu h VAL 606 Cb 1.23 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1nvu h VAL 606 CO 0.60 0.17 0.57 0.40 0.02 0.00 0.00 177.57 179.33 1nvu h ILE 607 N 0.95 1.24 -0.24 4.57 1.08 -1.96 -0.46 117.51 122.70 1nvu h ILE 607 Ca 0.41 -0.49 -0.14 0.00 -0.39 0.00 0.00 64.86 64.24 1nvu h ILE 607 Cb 0.28 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.97 1nvu h ILE 607 CO -0.21 0.25 -0.45 0.50 -0.69 0.00 0.00 178.15 177.55 1nvu h LYS 608 N 1.23 0.60 -0.46 2.37 1.63 -1.52 -1.75 116.57 118.68 1nvu h LYS 608 Ca 0.33 -0.33 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1nvu h LYS 608 Cb -0.09 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1nvu h LYS 608 CO -0.07 0.92 0.17 -0.07 -3.45 0.00 0.00 179.45 176.96 1nvu h LEU 609 N 0.48 0.64 -0.83 5.20 4.07 -0.54 -1.73 115.31 122.61 1nvu h LEU 609 Ca 0.03 -0.18 -0.10 0.00 0.08 0.00 0.00 57.88 57.71 1nvu h LEU 609 Cb 0.97 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1nvu h LEU 609 CO 0.09 0.65 -0.22 0.40 -1.08 0.00 0.00 178.44 178.28 1nvu h ILE 610 N 0.60 1.27 -0.22 1.22 2.04 -0.98 0.10 117.51 121.54 1nvu h ILE 610 Ca 0.15 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1nvu h ILE 610 Cb 0.22 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1nvu h ILE 610 CO -0.01 0.42 0.14 -0.08 0.00 0.00 0.00 178.15 178.61 1nvu h GLU 611 N 0.56 0.30 -0.14 2.37 4.81 -1.06 -2.59 114.58 118.83 1nvu h GLU 611 Ca 0.08 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1nvu h GLU 611 Cb 0.68 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1nvu h GLU 611 CO 0.05 0.23 -0.44 0.00 -0.73 0.00 0.00 179.01 178.12 1nvu h ARG 612 N 0.28 0.33 -0.11 1.92 2.47 -1.09 -0.21 114.38 117.97 1nvu h ARG 612 Ca 0.08 -0.17 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1nvu h ARG 612 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1nvu h ARG 612 CO -0.02 0.72 0.11 1.25 0.56 0.00 0.00 179.97 182.59 1nvu h LEU 613 N 0.27 0.00 -3.10 3.04 5.85 -0.47 -2.44 115.31 118.47 1nvu h LEU 613 Ca 0.02 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1nvu h LEU 613 Cb 0.89 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.75 1nvu h LEU 613 CO 0.07 0.00 -0.73 0.35 -0.34 0.00 0.00 178.44 177.79 1nvu n THR 614 N -3.93 1.37 -1.63 1.05 -2.24 -0.95 -4.84 114.28 103.10 1nvu n THR 614 Ca -0.00 -2.43 -0.38 0.00 -2.27 0.00 0.00 64.05 58.96 1nvu n THR 614 Cb 0.22 0.23 0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1nvu n THR 614 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nvu n TYR 615 N -0.48 1.07 0.32 4.78 9.36 -0.13 -4.49 117.16 127.59 1nvu n TYR 615 Ca 0.15 0.45 0.12 0.00 3.32 0.00 0.00 57.90 61.94 1nvu n TYR 615 Cb 0.88 -2.18 0.06 0.00 -0.63 0.00 0.00 39.34 37.46 1nvu n TYR 615 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1nvu n HIS 616 N -1.42 0.73 0.09 2.98 1.44 -1.26 -4.41 115.22 113.38 1nvu n HIS 616 Ca 0.12 0.21 -0.03 0.00 -2.01 0.00 0.00 57.72 56.01 1nvu n HIS 616 Cb 0.46 -0.79 -0.06 0.00 0.12 0.00 0.00 29.99 29.71 1nvu n HIS 616 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1nvu h MET 617 N 0.00 0.00 -3.08 -1.40 2.86 -1.92 -3.47 114.93 107.92 1nvu h MET 617 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1nvu h MET 617 Cb 0.88 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.48 1nvu h MET 617 CO 0.00 0.80 0.18 1.52 1.06 0.00 0.00 176.91 180.47 1nvu s TYR 618 N -2.81 -0.15 0.14 -0.22 -0.85 -1.26 -5.17 117.35 107.02 1nvu s TYR 618 Ca 0.02 -0.27 0.04 0.00 -0.52 0.00 0.00 57.07 56.34 1nvu s TYR 618 Cb 0.09 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 43.02 1nvu s TYR 618 CO 0.79 -1.17 0.15 0.00 -1.52 0.00 0.00 175.55 173.80 1nvu s ALA 619 N -3.92 3.66 -0.49 9.51 0.00 -1.26 -4.74 121.76 124.52 1nvu s ALA 619 Ca 0.11 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1nvu s ALA 619 Cb -0.05 -1.47 0.22 0.00 0.00 0.00 0.00 23.12 21.81 1nvu s ALA 619 CO 0.05 0.59 0.85 -3.47 0.00 0.00 0.00 175.76 173.78 1nvu n ASP 620 N -0.15 -2.99 0.28 0.00 -0.08 -1.26 -4.99 116.55 107.36 1nvu n ASP 620 Ca -0.08 -2.91 0.18 0.00 -1.51 0.00 0.00 54.79 50.48 1nvu n ASP 620 Cb 0.54 1.67 0.94 0.00 2.34 0.00 0.00 41.12 46.61 1nvu n ASP 620 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1nvu h PRO 621 N 4.42 0.00 -0.46 -0.67 0.11 -1.98 0.18 132.00 133.60 1nvu h PRO 621 Ca -0.05 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1nvu h PRO 621 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1nvu h PRO 621 CO 0.13 0.00 -0.02 -0.97 -0.21 0.00 0.00 178.00 176.92 1nvu h ASN 622 N 0.00 0.75 -0.43 -2.05 -1.24 -2.00 -2.37 115.58 108.24 1nvu h ASN 622 Ca 0.04 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.82 1nvu h ASN 622 Cb 0.41 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1nvu h ASN 622 CO -0.00 0.83 0.10 0.15 -1.29 0.00 0.00 177.43 177.22 1nvu h PHE 623 N 0.72 0.74 -0.47 0.67 3.57 -1.06 -1.76 116.94 119.35 1nvu h PHE 623 Ca 0.14 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1nvu h PHE 623 Cb 0.48 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1nvu h PHE 623 CO 0.02 0.69 0.27 0.28 -2.23 0.00 0.00 178.31 177.35 1nvu h VAL 624 N 0.57 1.04 -0.32 1.41 2.07 -1.44 0.11 116.25 119.69 1nvu h VAL 624 Ca 0.14 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1nvu h VAL 624 Cb 0.33 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1nvu h VAL 624 CO 0.00 0.10 -0.05 -0.09 0.02 0.00 0.00 177.57 177.55 1nvu h ARG 625 N 0.55 0.60 -0.09 1.57 2.43 -1.34 -0.46 114.38 117.64 1nvu h ARG 625 Ca 0.19 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1nvu h ARG 625 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1nvu h ARG 625 CO -0.09 0.76 -0.01 1.15 -1.51 0.00 0.00 179.97 180.27 1nvu h THR 626 N 0.38 0.93 0.25 0.20 2.02 -0.94 -0.93 112.91 114.82 1nvu h THR 626 Ca 0.08 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1nvu h THR 626 Cb 0.52 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1nvu h THR 626 CO 0.03 0.00 -0.12 0.15 0.37 0.00 0.00 175.52 175.95 1nvu h PHE 627 N 0.02 -0.31 0.00 3.16 3.04 -0.75 -1.44 116.94 120.66 1nvu h PHE 627 Ca 0.04 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1nvu h PHE 627 Cb 0.05 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.66 1nvu h PHE 627 CO -0.13 -0.12 -0.03 -0.07 -2.02 0.00 0.00 178.31 175.94 1nvu h LEU 628 N -0.44 0.00 0.02 0.59 3.38 -0.99 0.80 115.31 118.66 1nvu h LEU 628 Ca -0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1nvu h LEU 628 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1nvu h LEU 628 CO 0.06 0.03 -1.06 0.74 0.09 0.00 0.00 178.44 178.30 1nvu h THR 629 N 0.00 1.65 -0.00 0.22 2.02 -0.89 -3.40 112.91 112.51 1nvu h THR 629 Ca -0.00 -3.35 0.00 0.00 0.77 0.00 0.00 66.41 63.83 1nvu h THR 629 Cb 0.07 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1nvu h THR 629 CO 0.00 0.95 -0.02 0.35 0.37 0.00 0.00 175.52 177.17 1nvu n THR 630 N -3.36 0.00 0.28 3.16 -2.24 -0.57 -4.80 114.28 106.75 1nvu n THR 630 Ca -0.02 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1nvu n THR 630 Cb 0.96 1.01 0.81 0.00 -2.10 0.00 0.00 70.33 71.01 1nvu n THR 630 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1nvu h TYR 631 N 0.13 0.00 -0.02 4.78 -0.00 -1.08 -3.15 116.97 117.62 1nvu h TYR 631 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.74 1nvu h TYR 631 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.77 1nvu h TYR 631 CO 0.00 0.03 0.16 0.00 -0.00 0.00 0.00 178.16 178.35 1nvu h ARG 632 N 0.00 0.00 0.00 0.10 3.08 -1.85 0.77 114.38 116.47 1nvu h ARG 632 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nvu h ARG 632 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1nvu h ARG 632 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1nvu n SER 633 N -3.11 0.77 0.00 7.04 3.41 -1.19 -4.00 113.62 116.54 1nvu n SER 633 Ca -0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1nvu n SER 633 Cb 0.23 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1nvu n SER 633 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1nvu n PHE 634 N -2.23 0.00 -3.66 7.33 1.16 0.08 -5.06 117.46 115.08 1nvu n PHE 634 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.54 1nvu n PHE 634 Cb 0.40 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.19 1nvu n PHE 634 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nvu s LYS 636 N 1.28 4.01 0.20 0.00 1.02 -1.26 -3.84 119.74 121.15 1nvu s LYS 636 Ca -0.08 1.12 -0.13 0.00 0.02 0.00 0.00 55.97 56.90 1nvu s LYS 636 Cb -0.06 -2.14 0.22 0.00 -0.52 0.00 0.00 37.83 35.33 1nvu s LYS 636 CO -0.13 -0.22 1.66 -1.35 -0.92 0.00 0.00 175.35 174.38 1nvu h PRO 637 N 1.46 0.06 -0.97 -1.68 0.11 -1.95 0.24 132.00 129.25 1nvu h PRO 637 Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1nvu h PRO 637 Cb 1.19 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1nvu h PRO 637 CO 0.61 0.04 0.64 1.96 -0.21 0.00 0.00 178.00 181.03 1nvu h GLN 638 N 0.06 1.20 -0.15 1.05 1.08 -1.99 -1.43 115.11 114.93 1nvu h GLN 638 Ca 0.28 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.25 1nvu h GLN 638 Cb 0.44 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1nvu h GLN 638 CO -0.52 0.80 -0.56 1.49 -0.95 0.00 0.00 178.83 179.09 1nvu h GLU 639 N 1.24 0.45 -0.40 1.46 4.57 -1.67 -2.14 114.58 118.09 1nvu h GLU 639 Ca 0.39 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1nvu h GLU 639 Cb -0.01 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1nvu h GLU 639 CO -0.12 0.88 0.16 1.25 -1.18 0.00 0.00 179.01 180.00 1nvu h LEU 640 N 0.34 0.55 -0.41 1.64 6.46 -0.33 -1.12 115.31 122.44 1nvu h LEU 640 Ca 0.00 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1nvu h LEU 640 Cb 1.08 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1nvu h LEU 640 CO 0.10 0.57 0.12 0.25 -0.62 0.00 0.00 178.44 178.86 1nvu h LEU 641 N 0.50 0.60 -0.60 2.25 5.85 -1.19 -1.09 115.31 121.62 1nvu h LEU 641 Ca 0.13 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1nvu h LEU 641 Cb 0.19 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1nvu h LEU 641 CO -0.01 0.65 0.36 0.28 -0.34 0.00 0.00 178.44 179.38 1nvu h SER 642 N 0.51 0.58 -0.56 1.25 0.02 -1.21 -1.34 113.55 112.80 1nvu h SER 642 Ca 0.13 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1nvu h SER 642 Cb 0.27 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1nvu h SER 642 CO -0.00 0.40 0.04 -0.07 -1.14 0.00 0.00 176.83 176.06 1nvu h LEU 643 N 0.71 0.96 -0.57 5.07 3.38 -0.87 -1.07 115.31 122.92 1nvu h LEU 643 Ca 0.25 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1nvu h LEU 643 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1nvu h LEU 643 CO -0.11 1.00 -0.40 0.16 0.09 0.00 0.00 178.44 179.17 1nvu h ILE 644 N 0.93 0.82 -0.31 1.22 3.07 -0.87 -0.42 117.51 121.94 1nvu h ILE 644 Ca 0.18 -1.75 -0.12 0.00 1.55 0.00 0.00 64.86 64.72 1nvu h ILE 644 Cb 0.48 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 1nvu h ILE 644 CO 0.02 0.40 -0.25 0.40 -1.05 0.00 0.00 178.15 177.66 1nvu h ILE 645 N 0.00 1.30 -0.83 0.16 2.04 -0.96 -0.68 117.51 118.54 1nvu h ILE 645 Ca -0.00 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.41 1nvu h ILE 645 Cb 1.08 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1nvu h ILE 645 CO 0.05 0.46 0.36 -0.33 0.00 0.00 0.00 178.15 178.69 1nvu h GLU 646 N 0.49 1.21 -0.88 2.37 5.08 -0.98 -2.00 114.58 119.86 1nvu h GLU 646 Ca 0.06 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1nvu h GLU 646 Cb 0.82 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1nvu h GLU 646 CO 0.07 0.95 0.58 -0.09 -1.00 0.00 0.00 179.01 179.52 1nvu h ARG 647 N 1.19 1.15 -0.26 2.33 9.65 -0.86 -2.69 114.38 124.88 1nvu h ARG 647 Ca 0.28 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1nvu h ARG 647 Cb 0.17 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1nvu h ARG 647 CO -0.03 0.76 -0.14 0.35 2.80 0.00 0.00 179.97 183.71 1nvu h PHE 648 N 1.18 0.48 -1.16 2.20 3.57 -0.45 -3.37 116.94 119.38 1nvu h PHE 648 Ca 0.33 -0.07 -0.72 0.00 3.53 0.00 0.00 57.97 61.04 1nvu h PHE 648 Cb -0.11 -0.13 -0.12 0.00 2.79 0.00 0.00 35.95 38.38 1nvu h PHE 648 CO -0.01 0.57 2.13 0.39 -2.23 0.00 0.00 178.31 179.16 1nvu n GLU 649 N -4.21 3.28 -3.07 1.11 1.02 -0.82 -4.86 120.64 113.09 1nvu n GLU 649 Ca 0.00 -3.35 -0.40 0.00 -0.02 0.00 0.00 57.16 53.39 1nvu n GLU 649 Cb 0.32 -3.18 -0.05 0.00 -0.02 0.00 0.00 31.44 28.50 1nvu n GLU 649 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nvu s ILE 650 N 2.30 5.01 0.07 -3.67 1.01 -1.26 -4.99 121.20 119.66 1nvu s ILE 650 Ca 0.46 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 1nvu s ILE 650 Cb 0.06 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1nvu s ILE 650 CO 0.00 0.13 1.18 -2.16 0.00 0.00 0.00 174.94 174.09 1nvu s PRO 651 N 1.69 4.45 0.37 2.79 0.04 -1.26 -5.02 135.00 138.07 1nvu s PRO 651 Ca 0.32 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 1nvu s PRO 651 Cb -0.16 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.95 1nvu s PRO 651 CO 0.12 -0.21 0.79 -1.83 0.04 0.00 0.00 177.00 175.90 1nvu s GLU 652 N 0.91 3.96 0.86 4.56 -1.05 -1.26 -4.86 118.70 121.82 1nvu s GLU 652 Ca 0.57 0.69 -0.12 0.00 -0.15 0.00 0.00 54.97 55.96 1nvu s GLU 652 Cb -0.29 -2.37 0.11 0.00 -0.44 0.00 0.00 34.13 31.14 1nvu s GLU 652 CO 0.30 0.05 1.17 -1.25 0.95 0.00 0.00 175.26 176.49 1nvu s PRO 653 N -3.31 1.33 0.51 -4.83 0.04 -1.26 -5.03 135.00 122.45 1nvu s PRO 653 Ca 0.55 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 1nvu s PRO 653 Cb -0.10 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1nvu s PRO 653 CO 0.22 -2.42 0.95 -1.21 0.04 0.00 0.00 177.00 174.58 1nvu s GLU 654 N -4.41 3.85 0.41 4.56 0.41 -1.26 -4.99 118.70 117.27 1nvu s GLU 654 Ca 0.70 0.82 -0.25 0.00 -0.41 0.00 0.00 54.97 55.83 1nvu s GLU 654 Cb -0.26 -2.18 -0.11 0.00 -1.78 0.00 0.00 34.13 29.81 1nvu s GLU 654 CO 0.54 -0.28 1.11 -2.30 -0.49 0.00 0.00 175.26 173.84 1nvu n PRO 655 N -1.74 1.56 -1.95 0.39 -0.02 -1.26 -4.97 135.00 127.01 1nvu n PRO 655 Ca 0.06 0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 1nvu n PRO 655 Cb 0.54 -2.15 0.15 0.00 -0.02 0.00 0.00 33.50 32.02 1nvu n PRO 655 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nvu s THR 656 N -1.23 2.01 0.21 3.45 -4.23 -1.26 -4.75 115.64 109.85 1nvu s THR 656 Ca 0.62 -0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1nvu s THR 656 Cb -0.55 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.45 1nvu s THR 656 CO 0.57 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.36 1nvu h GLU 657 N -1.37 0.58 -0.73 3.99 4.57 -1.99 0.77 114.58 120.39 1nvu h GLU 657 Ca -0.45 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1nvu h GLU 657 Cb 1.27 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 1nvu h GLU 657 CO 0.49 0.38 0.41 0.00 -1.18 0.00 0.00 179.01 179.11 1nvu h ALA 658 N 1.38 1.36 -0.26 2.92 0.00 -2.00 -1.39 119.26 121.27 1nvu h ALA 658 Ca 0.31 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1nvu h ALA 658 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nvu h ALA 658 CO -0.23 0.54 -0.19 -0.44 0.00 0.00 0.00 179.25 178.93 1nvu h ASP 659 N 1.01 0.62 -0.72 0.00 3.32 -1.55 -2.63 116.42 116.46 1nvu h ASP 659 Ca 0.26 -0.44 0.07 0.00 0.02 0.00 0.00 57.03 56.93 1nvu h ASP 659 Cb -0.00 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 1nvu h ASP 659 CO -0.04 0.93 0.41 0.03 -1.72 0.00 0.00 179.24 178.84 1nvu h ARG 660 N 0.31 0.72 -0.06 3.56 3.08 -0.53 0.22 114.38 121.68 1nvu h ARG 660 Ca 0.05 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1nvu h ARG 660 Cb 0.73 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1nvu h ARG 660 CO 0.05 0.48 -0.05 0.82 -1.07 0.00 0.00 179.97 180.19 1nvu h ILE 661 N 0.74 0.84 0.12 2.04 1.08 -1.17 0.14 117.51 121.30 1nvu h ILE 661 Ca 0.33 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.79 1nvu h ILE 661 Cb 0.22 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1nvu h ILE 661 CO -0.20 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.21 1nvu h ALA 662 N 0.98 -0.16 -0.87 1.87 0.00 -1.00 -2.33 119.26 117.74 1nvu h ALA 662 Ca 0.04 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1nvu h ALA 662 Cb 0.13 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1nvu h ALA 662 CO -0.10 -0.58 0.53 0.82 0.00 0.00 0.00 179.25 179.92 1nvu h ILE 663 N -0.18 1.00 0.00 0.00 2.04 -0.33 -0.66 117.51 119.38 1nvu h ILE 663 Ca -0.02 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1nvu h ILE 663 Cb 0.14 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1nvu h ILE 663 CO 0.03 0.17 0.00 -0.62 0.00 0.00 0.00 178.15 177.73 1nvu n GLU 664 N -4.64 0.18 0.00 2.37 1.02 0.46 -1.73 120.64 118.30 1nvu n GLU 664 Ca 0.13 0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.77 1nvu n GLU 664 Cb 0.22 -1.82 0.16 0.00 -0.02 0.00 0.00 31.44 29.98 1nvu n GLU 664 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nvu n ASN 665 N -2.15 2.61 0.00 1.62 3.02 -0.39 -4.95 115.26 115.02 1nvu n ASN 665 Ca 0.03 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1nvu n ASN 665 Cb 0.25 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1nvu n ASN 665 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nvu n GLY 666 N 1.33 0.64 3.95 7.41 0.00 -0.71 -5.06 105.19 112.75 1nvu n GLY 666 Ca 0.14 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1nvu n GLY 666 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvu s ASP 667 N -2.23 5.35 -0.02 1.61 1.01 -0.40 -5.01 116.67 116.98 1nvu s ASP 667 Ca 0.00 -0.60 -0.23 0.00 0.71 0.00 0.00 52.55 52.44 1nvu s ASP 667 Cb 0.00 -0.55 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 1nvu s ASP 667 CO 0.00 -0.75 0.67 -1.58 0.21 0.00 0.00 175.17 173.72 1nvu s GLN 668 N -4.27 4.41 0.50 8.23 2.00 -1.26 -3.83 119.66 125.43 1nvu s GLN 668 Ca 0.52 0.86 -0.20 0.00 -2.00 0.00 0.00 55.36 54.54 1nvu s GLN 668 Cb -0.07 -3.39 -0.08 0.00 0.80 0.00 0.00 33.01 30.27 1nvu s GLN 668 CO 0.31 0.22 1.03 -2.14 -0.50 0.00 0.00 175.29 174.21 1nvu s PRO 669 N 0.27 3.78 0.22 1.67 0.02 -1.26 -4.89 135.00 134.81 1nvu s PRO 669 Ca 0.35 1.30 0.08 0.00 0.02 0.00 0.00 61.00 62.75 1nvu s PRO 669 Cb -0.18 -2.10 0.18 0.00 0.02 0.00 0.00 34.50 32.42 1nvu s PRO 669 CO 0.19 -0.44 1.51 -0.07 -0.33 0.00 0.00 177.00 177.85 1nvu h LEU 670 N 1.42 0.07 -1.53 -5.54 3.38 -1.93 -3.47 115.31 107.71 1nvu h LEU 670 Ca -0.49 -0.05 -0.49 0.00 0.09 0.00 0.00 57.88 56.95 1nvu h LEU 670 Cb 1.22 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1nvu h LEU 670 CO 0.59 0.77 -0.84 -1.20 0.09 0.00 0.00 178.44 177.86 1nvu n SER 671 N -3.70 -2.04 -0.10 -0.43 7.64 -1.26 -4.89 113.62 108.84 1nvu n SER 671 Ca -0.01 -0.92 -0.07 0.00 1.01 0.00 0.00 58.87 58.88 1nvu n SER 671 Cb 0.71 -3.40 0.01 0.00 -1.01 0.00 0.00 64.21 60.51 1nvu n SER 671 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nvu h ALA 672 N 0.89 0.42 -0.14 -0.43 0.00 -1.99 -1.45 119.26 116.55 1nvu h ALA 672 Ca -0.61 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1nvu h ALA 672 Cb 1.37 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nvu h ALA 672 CO 0.65 -0.21 -0.66 0.93 0.00 0.00 0.00 179.25 179.95 1nvu h GLU 673 N 0.34 0.56 -0.50 0.00 4.39 -1.99 -1.98 114.58 115.40 1nvu h GLU 673 Ca 0.15 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1nvu h GLU 673 Cb 0.07 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1nvu h GLU 673 CO -0.11 1.03 0.29 1.25 -1.16 0.00 0.00 179.01 180.31 1nvu h LEU 674 N 0.40 0.61 -0.91 1.33 5.85 -1.91 0.11 115.31 120.80 1nvu h LEU 674 Ca -0.02 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1nvu h LEU 674 Cb 1.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1nvu h LEU 674 CO 0.12 0.51 0.01 0.11 -0.34 0.00 0.00 178.44 178.85 1nvu h LYS 675 N 0.67 0.81 -0.25 1.25 1.57 -1.20 -1.58 116.57 117.84 1nvu h LYS 675 Ca 0.18 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1nvu h LYS 675 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nvu h LYS 675 CO -0.03 0.81 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.48 1nvu h ARG 676 N 0.76 0.50 -0.93 3.15 2.43 -1.02 -2.37 114.38 116.90 1nvu h ARG 676 Ca 0.15 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1nvu h ARG 676 Cb 0.45 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1nvu h ARG 676 CO 0.02 0.74 0.61 0.35 -1.51 0.00 0.00 179.97 180.18 1nvu h PHE 677 N 0.23 1.14 -0.46 2.20 3.57 -0.56 0.10 116.94 123.17 1nvu h PHE 677 Ca 0.06 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 1nvu h PHE 677 Cb 0.58 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1nvu h PHE 677 CO 0.06 0.69 -0.20 0.00 -2.23 0.00 0.00 178.31 176.62 1nvu h ARG 678 N 1.20 0.96 -0.06 1.11 3.08 -1.21 0.49 114.38 119.94 1nvu h ARG 678 Ca 0.36 -0.41 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1nvu h ARG 678 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1nvu h ARG 678 CO -0.10 1.08 -0.85 0.87 -1.07 0.00 0.00 179.97 179.90 1nvu h LYS 679 N 0.80 0.55 0.00 0.04 1.57 -0.97 0.81 116.57 119.37 1nvu h LYS 679 Ca 0.11 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1nvu h LYS 679 Cb 0.78 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1nvu h LYS 679 CO 0.06 1.13 -1.58 0.39 -0.57 0.00 0.00 179.45 178.88 1nvu n GLU 680 N -3.84 0.40 0.06 3.15 1.02 0.32 -4.50 120.64 117.26 1nvu n GLU 680 Ca -0.07 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1nvu n GLU 680 Cb 0.78 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1nvu n GLU 680 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1nvu n TYR 681 N -1.94 -0.39 0.28 -0.32 4.19 0.09 -4.74 117.16 114.33 1nvu n TYR 681 Ca -0.01 0.07 -0.16 0.00 3.31 0.00 0.00 57.90 61.11 1nvu n TYR 681 Cb 0.47 0.10 -0.08 0.00 0.49 0.00 0.00 39.34 40.31 1nvu n TYR 681 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1nvu h ILE 682 N 0.00 0.51 -0.12 2.97 2.04 -1.38 -2.04 117.51 119.48 1nvu h ILE 682 Ca 0.00 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1nvu h ILE 682 Cb 0.08 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1nvu h ILE 682 CO 0.00 0.01 -0.10 -0.61 0.00 0.00 0.00 178.15 177.44 1nvu h GLN 683 N -0.69 -0.11 -0.53 2.37 4.15 -1.09 0.85 115.11 120.07 1nvu h GLN 683 Ca -0.07 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1nvu h GLN 683 Cb 0.52 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1nvu h GLN 683 CO 0.11 -0.08 -0.10 -1.00 -1.93 0.00 0.00 178.83 175.83 1nvu h PRO 684 N -0.12 0.99 -0.34 -2.39 0.13 -1.78 -0.66 132.00 127.82 1nvu h PRO 684 Ca 0.08 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1nvu h PRO 684 Cb 0.24 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 1nvu h PRO 684 CO -0.20 1.03 0.16 0.28 -0.23 0.00 0.00 178.00 179.04 1nvu h VAL 685 N 0.88 1.17 -0.36 1.56 2.07 -1.09 -0.13 116.25 120.34 1nvu h VAL 685 Ca 0.14 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1nvu h VAL 685 Cb 0.65 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1nvu h VAL 685 CO 0.05 0.18 -0.28 1.56 0.02 0.00 0.00 177.57 179.10 1nvu h GLN 686 N 0.42 0.76 -0.69 1.57 4.20 -0.76 -0.83 115.11 119.77 1nvu h GLN 686 Ca 0.12 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1nvu h GLN 686 Cb 0.14 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1nvu h GLN 686 CO -0.01 0.95 0.13 -0.07 -0.67 0.00 0.00 178.83 179.16 1nvu h LEU 687 N 0.65 1.08 -1.08 1.46 3.38 -0.99 -1.49 115.31 118.33 1nvu h LEU 687 Ca 0.08 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1nvu h LEU 687 Cb 0.80 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nvu h LEU 687 CO 0.07 1.05 -0.40 0.03 0.09 0.00 0.00 178.44 179.29 1nvu h ARG 688 N 1.06 0.13 -0.27 1.13 3.08 -0.67 0.15 114.38 118.99 1nvu h ARG 688 Ca 0.21 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1nvu h ARG 688 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1nvu h ARG 688 CO 0.01 0.51 -0.02 0.28 -1.07 0.00 0.00 179.97 179.67 1nvu h VAL 689 N 0.11 1.27 -0.19 2.04 2.07 -0.83 -1.30 116.25 119.41 1nvu h VAL 689 Ca 0.01 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1nvu h VAL 689 Cb 0.75 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1nvu h VAL 689 CO 0.06 0.31 -0.06 -0.07 0.02 0.00 0.00 177.57 177.83 1nvu h LEU 690 N 0.26 0.27 -0.52 2.57 3.38 -0.84 -1.52 115.31 118.91 1nvu h LEU 690 Ca 0.07 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1nvu h LEU 690 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1nvu h LEU 690 CO 0.02 0.38 0.02 -1.13 0.09 0.00 0.00 178.44 177.82 1nvu h ASN 691 N 0.28 0.89 -0.52 -0.43 -1.24 -0.28 -1.31 115.58 112.98 1nvu h ASN 691 Ca 0.06 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.78 1nvu h ASN 691 Cb 0.30 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 1nvu h ASN 691 CO 0.01 0.97 0.33 0.58 -1.29 0.00 0.00 177.43 178.04 1nvu h VAL 692 N 0.79 1.14 -0.60 2.57 2.07 -0.56 -1.37 116.25 120.29 1nvu h VAL 692 Ca 0.15 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1nvu h VAL 692 Cb 0.50 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1nvu h VAL 692 CO 0.02 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.11 1nvu h ARG 694 N 0.70 0.16 -0.34 0.00 2.43 -0.87 -1.29 114.38 115.17 1nvu h ARG 694 Ca 0.24 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1nvu h ARG 694 Cb 0.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1nvu h ARG 694 CO -0.11 0.22 -0.16 0.45 -1.51 0.00 0.00 179.97 178.86 1nvu h HIS 695 N 0.06 0.69 0.17 2.20 3.86 -1.08 -0.44 115.15 120.60 1nvu h HIS 695 Ca 0.04 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1nvu h HIS 695 Cb 0.11 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1nvu h HIS 695 CO -0.03 0.75 -0.08 2.35 0.86 0.00 0.00 177.93 181.78 1nvu h TRP 696 N 0.56 -0.21 -0.29 2.45 2.91 -0.55 -0.56 115.95 120.26 1nvu h TRP 696 Ca 0.09 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.96 1nvu h TRP 696 Cb 0.60 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 1nvu h TRP 696 CO 0.02 -0.11 -0.41 0.28 -1.03 0.00 0.00 178.44 177.19 1nvu h VAL 697 N -0.24 1.29 -0.10 2.65 2.07 -1.12 -1.37 116.25 119.43 1nvu h VAL 697 Ca -0.02 -1.58 -0.19 0.00 0.82 0.00 0.00 66.70 65.73 1nvu h VAL 697 Cb 0.19 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1nvu h VAL 697 CO 0.04 0.51 -0.66 -0.08 0.02 0.00 0.00 177.57 177.39 1nvu h GLU 698 N 0.58 0.62 -0.01 1.57 4.81 -1.02 -3.31 114.58 117.83 1nvu h GLU 698 Ca 0.05 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1nvu h GLU 698 Cb 0.95 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1nvu h GLU 698 CO 0.09 1.16 -0.00 0.72 -0.73 0.00 0.00 179.01 180.24 1nvu n HIS 699 N -4.09 0.00 -2.75 0.92 8.25 -0.22 -4.66 115.22 112.67 1nvu n HIS 699 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1nvu n HIS 699 Cb 0.69 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.85 1nvu n HIS 699 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nvu n HIS 700 N 0.21 0.79 0.18 4.41 8.25 -0.53 -4.92 115.22 123.61 1nvu n HIS 700 Ca 0.02 -1.78 0.12 0.00 -0.26 0.00 0.00 57.72 55.82 1nvu n HIS 700 Cb 0.10 -0.09 0.61 0.00 1.12 0.00 0.00 29.99 31.74 1nvu n HIS 700 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1nvu h PHE 701 N 2.16 0.00 0.00 4.41 3.57 -1.62 -2.87 116.94 122.59 1nvu h PHE 701 Ca -0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1nvu h PHE 701 Cb 1.39 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1nvu h PHE 701 CO 0.39 0.00 -0.06 0.10 -2.23 0.00 0.00 178.31 176.51 1nvu h TYR 702 N 0.00 0.00 -0.99 0.41 -0.00 -1.91 0.09 116.97 114.57 1nvu h TYR 702 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.79 1nvu h TYR 702 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 36.68 1nvu h TYR 702 CO 0.00 0.06 0.64 -0.44 -0.00 0.00 0.00 178.16 178.42 1nvu h ASP 703 N 0.00 1.02 0.24 0.10 3.32 -1.88 -0.39 116.42 118.83 1nvu h ASP 703 Ca -0.00 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1nvu h ASP 703 Cb 0.11 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1nvu h ASP 703 CO 0.01 0.65 -0.91 -0.26 -1.72 0.00 0.00 179.24 177.01 1nvu h PHE 704 N 1.16 0.69 -0.32 4.55 0.04 -1.25 -2.23 116.94 119.58 1nvu h PHE 704 Ca 0.43 -0.36 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1nvu h PHE 704 Cb 0.16 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1nvu h PHE 704 CO -0.01 1.17 -0.11 0.93 -0.60 0.00 0.00 178.31 179.70 1nvu h GLU 705 N 0.28 0.55 0.00 1.51 5.08 -0.67 -2.85 114.58 118.47 1nvu h GLU 705 Ca -0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1nvu h GLU 705 Cb 1.54 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1nvu h GLU 705 CO 0.16 0.65 -0.39 0.54 -1.00 0.00 0.00 179.01 178.98 1nvu n ARG 706 N -4.20 0.23 -3.59 2.33 1.74 -0.21 -4.66 116.66 108.29 1nvu n ARG 706 Ca 0.01 0.11 -0.27 0.00 -0.77 0.00 0.00 57.85 56.93 1nvu n ARG 706 Cb 0.32 -1.68 -0.16 0.00 -1.02 0.00 0.00 32.46 29.91 1nvu n ARG 706 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nvu s ASP 707 N -4.08 2.68 0.21 0.55 -1.08 -0.84 -5.02 116.67 109.08 1nvu s ASP 707 Ca 0.09 -0.80 0.03 0.00 -0.52 0.00 0.00 52.55 51.34 1nvu s ASP 707 Cb 0.14 -0.27 0.15 0.00 -1.46 0.00 0.00 42.92 41.49 1nvu s ASP 707 CO 0.67 -0.38 1.50 0.00 0.52 0.00 0.00 175.17 177.48 1nvu h ALA 708 N 8.42 0.73 -0.29 3.66 0.00 -1.83 -3.15 119.26 126.80 1nvu h ALA 708 Ca -0.16 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.04 1nvu h ALA 708 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1nvu h ALA 708 CO 0.33 0.77 -0.29 -0.92 0.00 0.00 0.00 179.25 179.15 1nvu h TYR 709 N 0.19 0.67 -0.56 0.00 3.20 -1.95 -1.93 116.97 116.58 1nvu h TYR 709 Ca -0.02 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 61.73 1nvu h TYR 709 Cb 1.23 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 1nvu h TYR 709 CO 0.03 0.82 0.32 1.25 -1.64 0.00 0.00 178.16 178.94 1nvu h LEU 710 N 0.51 0.50 -0.60 2.82 5.85 -1.91 0.84 115.31 123.32 1nvu h LEU 710 Ca 0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1nvu h LEU 710 Cb 0.76 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1nvu h LEU 710 CO 0.06 0.35 0.17 0.25 -0.34 0.00 0.00 178.44 178.93 1nvu h LEU 711 N 0.63 0.89 -0.81 2.25 5.85 -1.46 -0.97 115.31 121.68 1nvu h LEU 711 Ca 0.24 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1nvu h LEU 711 Cb 0.07 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1nvu h LEU 711 CO -0.12 0.87 0.47 1.56 -0.34 0.00 0.00 178.44 180.87 1nvu h GLN 712 N 0.86 1.12 -0.55 1.25 4.20 -0.69 0.05 115.11 121.35 1nvu h GLN 712 Ca 0.19 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1nvu h GLN 712 Cb 0.31 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1nvu h GLN 712 CO -0.00 0.81 0.18 0.00 -0.67 0.00 0.00 178.83 179.14 1nvu h ARG 713 N 1.12 0.85 -0.29 1.46 3.08 -0.53 0.41 114.38 120.49 1nvu h ARG 713 Ca 0.29 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1nvu h ARG 713 Cb -0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1nvu h ARG 713 CO -0.05 0.77 0.16 1.98 -1.07 0.00 0.00 179.97 181.77 1nvu h MET 714 N 0.76 0.40 -0.75 0.04 4.05 -0.73 0.82 114.93 119.52 1nvu h MET 714 Ca 0.18 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1nvu h MET 714 Cb 0.27 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1nvu h MET 714 CO -0.01 0.33 0.35 0.93 0.23 0.00 0.00 176.91 178.75 1nvu h GLU 715 N 0.35 1.09 -0.42 0.39 5.08 -0.80 0.21 114.58 120.49 1nvu h GLU 715 Ca 0.10 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1nvu h GLU 715 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1nvu h GLU 715 CO -0.02 0.86 0.07 0.93 -1.00 0.00 0.00 179.01 179.85 1nvu h GLU 716 N 1.06 0.68 0.68 2.33 4.39 -0.59 -1.24 114.58 121.90 1nvu h GLU 716 Ca 0.26 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1nvu h GLU 716 Cb 0.13 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1nvu h GLU 716 CO -0.03 0.72 -0.34 0.35 -1.16 0.00 0.00 179.01 178.55 1nvu h PHE 717 N 0.54 -0.89 -0.45 4.33 3.57 -0.42 -1.19 116.94 122.42 1nvu h PHE 717 Ca 0.13 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.74 1nvu h PHE 717 Cb 0.36 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1nvu h PHE 717 CO 0.02 -0.55 0.33 0.82 -2.23 0.00 0.00 178.31 176.71 1nvu h ILE 718 N -0.94 0.75 0.00 1.41 1.08 -0.96 0.43 117.51 119.29 1nvu h ILE 718 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1nvu h ILE 718 Cb 0.73 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1nvu h ILE 718 CO 0.14 0.00 -0.09 0.61 -0.69 0.00 0.00 178.15 178.12 1nvu n GLY 719 N -1.62 -1.52 0.07 5.37 0.00 -0.47 -3.31 105.19 103.71 1nvu n GLY 719 Ca 0.08 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1nvu n GLY 719 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nvu n THR 720 N -1.72 0.35 -1.67 2.61 -2.24 0.12 -4.89 114.28 106.85 1nvu n THR 720 Ca 0.06 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1nvu n THR 720 Cb 0.37 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1nvu n THR 720 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvu s VAL 721 N -3.37 3.09 0.45 2.28 1.01 -1.10 -4.96 120.40 117.80 1nvu s VAL 721 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1nvu s VAL 721 Cb 0.12 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1nvu s VAL 721 CO 0.82 -0.09 0.63 -0.13 0.00 0.00 0.00 175.10 176.33 1nvu s ARG 722 N 6.65 2.85 0.00 2.72 0.52 -1.26 -4.89 118.95 125.55 1nvu s ARG 722 Ca 0.96 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1nvu s ARG 722 Cb -0.28 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1nvu s ARG 722 CO 0.33 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1nvu n GLY 723 N -2.00 2.87 0.25 -3.53 0.00 -1.26 -4.71 105.19 96.82 1nvu n GLY 723 Ca 0.05 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.73 1nvu n GLY 723 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nvu h LYS 724 N 0.00 0.00 0.58 1.61 -0.00 -2.01 -3.04 116.57 113.71 1nvu h LYS 724 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1nvu h LYS 724 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.24 1nvu h LYS 724 CO 0.00 0.11 -0.28 0.00 -0.00 0.00 0.00 179.45 179.28 1nvu h ALA 725 N 1.89 -0.78 0.00 0.07 0.00 -2.01 -3.23 119.26 115.20 1nvu h ALA 725 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nvu h ALA 725 Cb 0.63 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nvu h ALA 725 CO 0.01 -0.73 0.00 0.52 0.00 0.00 0.00 179.25 179.05 1nvu h MET 726 N -1.18 0.00 -0.89 0.00 2.86 -1.84 -3.31 114.93 110.58 1nvu h MET 726 Ca -0.08 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.80 1nvu h MET 726 Cb 0.61 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.14 1nvu h MET 726 CO 0.13 0.00 0.30 -0.22 1.06 0.00 0.00 176.91 178.18 1nvu h LYS 727 N 0.00 0.26 -0.47 1.72 3.64 -1.55 -0.75 116.57 119.42 1nvu h LYS 727 Ca 0.00 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1nvu h LYS 727 Cb 0.24 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1nvu h LYS 727 CO 0.00 0.17 0.07 0.87 -2.27 0.00 0.00 179.45 178.29 1nvu h LYS 728 N 0.26 0.20 -0.02 1.90 1.79 -1.79 -2.01 116.57 116.90 1nvu h LYS 728 Ca 0.56 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.81 1nvu h LYS 728 Cb 1.13 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1nvu h LYS 728 CO -0.62 0.13 -0.88 -1.49 -1.08 0.00 0.00 179.45 175.51 1nvu h TRP 729 N 0.20 0.56 0.24 -1.35 4.06 -1.46 -2.61 115.95 115.58 1nvu h TRP 729 Ca 0.23 -0.29 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 1nvu h TRP 729 Cb 0.31 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1nvu h TRP 729 CO -0.24 1.09 -0.11 0.28 -3.56 0.00 0.00 178.44 175.90 1nvu h VAL 730 N 0.23 0.81 -0.80 1.49 2.07 -1.04 0.21 116.25 119.21 1nvu h VAL 730 Ca -0.06 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1nvu h VAL 730 Cb 1.50 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1nvu h VAL 730 CO 0.15 0.05 0.50 -0.33 0.02 0.00 0.00 177.57 177.96 1nvu h GLU 731 N -0.44 0.91 0.10 1.57 5.08 -1.45 -0.49 114.58 119.86 1nvu h GLU 731 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1nvu h GLU 731 Cb 0.33 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nvu h GLU 731 CO 0.05 0.60 -0.05 1.03 -1.00 0.00 0.00 179.01 179.64 1nvu h SER 732 N 0.93 -0.11 -0.79 1.42 0.87 -1.20 -1.80 113.55 112.87 1nvu h SER 732 Ca 0.34 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1nvu h SER 732 Cb 0.11 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1nvu h SER 732 CO -0.15 0.03 0.42 0.40 -0.53 0.00 0.00 176.83 177.00 1nvu h ILE 733 N -0.25 1.24 -0.62 2.23 2.04 -0.71 -1.54 117.51 119.90 1nvu h ILE 733 Ca -0.01 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1nvu h ILE 733 Cb 0.21 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1nvu h ILE 733 CO 0.02 0.28 0.37 0.74 0.00 0.00 0.00 178.15 179.57 1nvu h THR 734 N 1.13 1.05 -0.47 -0.27 2.02 -0.87 -0.38 112.91 115.13 1nvu h THR 734 Ca 0.28 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1nvu h THR 734 Cb 0.06 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1nvu h THR 734 CO -0.04 0.13 0.05 0.11 0.37 0.00 0.00 175.52 176.14 1nvu h LYS 735 N 0.73 0.80 -0.67 6.66 1.57 -0.79 -1.49 116.57 123.38 1nvu h LYS 735 Ca 0.26 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nvu h LYS 735 Cb 0.05 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1nvu h LYS 735 CO -0.12 0.82 0.42 0.82 -0.57 0.00 0.00 179.45 180.82 1nvu h ILE 736 N 0.66 1.19 -0.20 1.86 2.04 -0.91 0.70 117.51 122.85 1nvu h ILE 736 Ca 0.14 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nvu h ILE 736 Cb 0.43 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1nvu h ILE 736 CO 0.01 0.19 0.12 0.40 0.00 0.00 0.00 178.15 178.87 1nvu h ILE 737 N 0.91 1.02 -0.72 -0.67 2.04 -0.82 -0.37 117.51 118.89 1nvu h ILE 737 Ca 0.24 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 1nvu h ILE 737 Cb -0.05 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1nvu h ILE 737 CO -0.05 0.04 0.21 1.56 0.00 0.00 0.00 178.15 179.92 1nvu h GLN 738 N 0.24 1.13 -0.40 2.37 1.08 -0.93 -2.34 115.11 116.26 1nvu h GLN 738 Ca 0.08 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1nvu h GLN 738 Cb -0.00 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1nvu h GLN 738 CO -0.04 0.97 0.25 -0.09 -0.95 0.00 0.00 178.83 178.98 1nvu h ARG 739 N 1.08 0.50 0.00 1.46 2.43 -0.58 -2.34 114.38 116.93 1nvu h ARG 739 Ca 0.23 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1nvu h ARG 739 Cb 0.32 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1nvu h ARG 739 CO -0.01 0.33 -0.05 0.87 -1.51 0.00 0.00 179.97 179.60 1nvu h LYS 740 N 0.52 0.00 0.14 0.20 1.79 -0.76 -2.92 116.57 115.53 1nvu h LYS 740 Ca 0.15 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.33 1nvu h LYS 740 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1nvu h LYS 740 CO -0.05 0.05 -1.38 0.87 -1.08 0.00 0.00 179.45 177.86 1nvu h LYS 741 N 0.00 0.29 -0.00 3.15 1.57 -0.89 -3.32 116.57 117.36 1nvu h LYS 741 Ca -0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1nvu h LYS 741 Cb 0.15 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1nvu h LYS 741 CO 0.01 1.20 -0.07 0.44 -0.57 0.00 0.00 179.45 180.45 1nvu n ILE 742 N -3.52 0.00 0.00 1.86 -5.35 -1.07 -5.13 119.36 106.16 1nvu n ILE 742 Ca -0.12 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1nvu n ILE 742 Cb 1.04 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1nvu n ILE 742 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nvu n ALA 743 N -1.02 0.00 0.00 -1.28 0.00 -1.17 -5.12 120.51 111.92 1nvu n ALA 743 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nvu n ALA 743 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1nvu n ALA 743 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1nvu n HIS 750 N 0.00 0.00 -1.71 0.00 -0.00 -1.26 -4.93 115.22 107.32 1nvu n HIS 750 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 1nvu n HIS 750 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 1nvu n HIS 750 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1nvu s ASN 751 N 0.00 4.94 -0.06 0.26 -0.87 -1.26 -5.06 114.94 112.90 1nvu s ASN 751 Ca 0.00 2.08 0.02 0.00 -1.57 0.00 0.00 52.86 53.39 1nvu s ASN 751 Cb 0.00 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.69 1nvu s ASN 751 CO 0.00 -1.74 -0.09 -0.63 -2.57 0.00 0.00 177.10 172.06 1nvu s ILE 752 N -2.24 0.93 -0.05 0.60 -1.09 -1.26 -5.13 121.20 112.96 1nvu s ILE 752 Ca 0.69 -0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 1nvu s ILE 752 Cb -0.22 -0.88 -0.03 0.00 -1.58 0.00 0.00 42.46 39.75 1nvu s ILE 752 CO 0.41 0.31 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.46 1nvu s THR 753 N 0.83 3.57 0.16 2.92 2.01 -1.26 -5.13 115.64 118.75 1nvu s THR 753 Ca -0.12 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.40 1nvu s THR 753 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1nvu s THR 753 CO 0.02 0.56 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.92 1nvu s PHE 754 N -0.83 2.11 0.12 4.92 0.08 -1.26 -5.03 117.98 118.10 1nvu s PHE 754 Ca 0.13 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 1nvu s PHE 754 Cb -0.11 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1nvu s PHE 754 CO 0.02 0.38 1.74 1.96 -0.10 0.00 0.00 175.22 179.22 1nvu h GLN 755 N 3.49 0.40 0.00 0.44 1.08 -2.02 -3.45 115.11 115.05 1nvu h GLN 755 Ca -0.46 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 56.66 1nvu h GLN 755 Cb 1.20 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1nvu h GLN 755 CO 0.45 0.33 -0.03 0.45 -0.95 0.00 0.00 178.83 179.09 1nvu n SER 756 N -4.83 1.87 -4.79 1.46 2.88 -1.26 -5.15 113.62 103.80 1nvu n SER 756 Ca -0.02 -1.13 -0.35 0.00 -1.33 0.00 0.00 58.87 56.04 1nvu n SER 756 Cb 0.07 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 1nvu n SER 756 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nvu s SER 757 N -1.16 5.85 0.52 -3.46 0.15 -1.26 -5.08 113.70 109.25 1nvu s SER 757 Ca 0.00 0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.72 1nvu s SER 757 Cb 0.00 -1.77 -0.06 0.00 -1.71 0.00 0.00 66.02 62.48 1nvu s SER 757 CO 0.00 0.36 1.30 -2.16 1.20 0.00 0.00 173.24 173.95 1nvu s PRO 758 N -1.17 3.33 0.89 5.44 0.04 -1.26 -4.98 135.00 137.28 1nvu s PRO 758 Ca 0.17 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 1nvu s PRO 758 Cb -0.12 -2.31 0.12 0.00 0.04 0.00 0.00 34.50 32.24 1nvu s PRO 758 CO 0.06 -0.99 1.10 -1.25 0.04 0.00 0.00 177.00 175.96 1nvu s PRO 759 N -2.84 1.32 0.32 0.56 0.04 -1.26 -4.94 135.00 128.20 1nvu s PRO 759 Ca 0.69 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1nvu s PRO 759 Cb -0.37 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1nvu s PRO 759 CO 0.44 -2.30 1.29 0.99 0.04 0.00 0.00 177.00 177.46 1nvu s THR 760 N -2.79 2.78 0.26 1.26 2.01 -1.26 -4.64 115.64 113.25 1nvu s THR 760 Ca 0.64 0.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 1nvu s THR 760 Cb -0.20 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 1nvu s THR 760 CO 0.58 0.18 1.41 -0.69 -0.69 0.00 0.00 174.62 175.41 1nvu s VAL 761 N -1.10 2.70 -0.13 3.82 1.01 -1.26 -5.00 120.40 120.44 1nvu s VAL 761 Ca 0.49 0.60 -0.07 0.00 0.00 0.00 0.00 61.98 63.00 1nvu s VAL 761 Cb -0.39 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1nvu s VAL 761 CO 0.52 0.10 0.12 -1.61 0.00 0.00 0.00 175.10 174.23 1nvu s GLU 762 N -0.57 3.52 0.10 2.72 0.41 -1.26 -5.10 118.70 118.53 1nvu s GLU 762 Ca 0.58 -0.19 0.09 0.00 -0.41 0.00 0.00 54.97 55.04 1nvu s GLU 762 Cb -0.41 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 28.72 1nvu s GLU 762 CO 0.44 0.68 -0.22 -1.58 -0.49 0.00 0.00 175.26 174.09 1nvu s TRP 763 N -0.74 1.91 0.00 1.61 0.52 -1.26 -4.51 118.94 116.47 1nvu s TRP 763 Ca 0.13 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1nvu s TRP 763 Cb -0.12 -1.06 0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1nvu s TRP 763 CO 0.03 0.22 0.00 1.58 0.02 0.00 0.00 176.95 178.80 1nvu n HIS 764 N 1.15 0.00 0.04 -1.98 -0.00 -1.26 -4.83 115.22 108.33 1nvu n HIS 764 Ca -0.19 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.87 1nvu n HIS 764 Cb 0.53 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.32 1nvu n HIS 764 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1nvu h ILE 765 N 0.00 1.03 -3.41 3.57 2.04 -1.54 -3.43 117.51 115.77 1nvu h ILE 765 Ca 0.00 -1.15 -0.53 0.00 1.00 0.00 0.00 64.86 64.18 1nvu h ILE 765 Cb 0.00 1.69 0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1nvu h ILE 765 CO 0.00 0.25 0.73 -0.44 0.00 0.00 0.00 178.15 178.70 1nvu s SER 766 N -5.53 6.70 0.32 1.72 0.01 -0.19 -5.01 113.70 111.72 1nvu s SER 766 Ca -0.14 2.62 0.07 0.00 1.31 0.00 0.00 55.95 59.82 1nvu s SER 766 Cb 0.01 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1nvu s SER 766 CO 0.55 -0.66 0.27 -0.13 0.41 0.00 0.00 173.24 173.67 1nvu s ARG 767 N -0.42 2.74 0.18 12.44 1.81 -1.26 -4.89 118.95 129.55 1nvu s ARG 767 Ca 0.58 -1.27 -0.33 0.00 -1.72 0.00 0.00 55.73 52.99 1nvu s ARG 767 Cb -0.41 -2.48 -0.14 0.00 -0.45 0.00 0.00 34.95 31.47 1nvu s ARG 767 CO 0.43 0.15 1.43 -2.30 -0.68 0.00 0.00 175.30 174.33 1nvu n PRO 768 N -1.33 1.83 0.00 3.54 -0.02 -1.26 -1.73 135.00 136.03 1nvu n PRO 768 Ca -0.03 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1nvu n PRO 768 Cb 0.59 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1nvu n PRO 768 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvu n GLY 769 N 2.68 2.44 2.77 -1.23 0.00 -1.26 -4.94 105.19 105.64 1nvu n GLY 769 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1nvu n GLY 769 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nvu n HIS 770 N -2.00 2.79 0.21 1.61 8.25 -0.71 -4.78 115.22 120.59 1nvu n HIS 770 Ca 0.00 -2.40 0.17 0.00 -0.26 0.00 0.00 57.72 55.23 1nvu n HIS 770 Cb 0.00 -1.24 0.72 0.00 1.12 0.00 0.00 29.99 30.59 1nvu n HIS 770 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1nvu h ILE 771 N 2.10 0.15 0.00 1.59 3.07 -1.92 0.15 117.51 122.65 1nvu h ILE 771 Ca 0.55 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.91 1nvu h ILE 771 Cb 0.19 0.58 -0.01 0.00 -0.27 0.00 0.00 36.82 37.32 1nvu h ILE 771 CO 1.31 0.00 -0.25 -0.33 -1.05 0.00 0.00 178.15 177.83 1nvu h GLU 772 N 0.00 0.00 0.00 0.16 3.07 -1.97 -2.89 114.58 112.95 1nvu h GLU 772 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1nvu h GLU 772 Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1nvu h GLU 772 CO -0.00 0.25 -0.65 1.79 -1.40 0.00 0.00 179.01 179.00 1nvu h THR 773 N 0.00 0.00 -2.10 1.13 1.35 -1.37 -3.47 112.91 108.44 1nvu h THR 773 Ca -0.00 -0.65 -0.63 0.00 -0.55 0.00 0.00 66.41 64.58 1nvu h THR 773 Cb 0.61 1.25 0.07 0.00 -1.73 0.00 0.00 68.15 68.35 1nvu h THR 773 CO 0.03 0.00 0.54 0.49 -0.25 0.00 0.00 175.52 176.33 1nvu n PHE 774 N -2.32 1.81 -3.80 4.73 3.01 -1.09 -4.79 117.46 115.00 1nvu n PHE 774 Ca 0.03 0.50 -0.03 0.00 1.01 0.00 0.00 57.45 58.96 1nvu n PHE 774 Cb 0.47 -2.40 0.00 0.00 -0.01 0.00 0.00 39.48 37.54 1nvu n PHE 774 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nvu s ASP 775 N 0.45 -0.09 0.25 4.37 -1.08 -1.26 -5.00 116.67 114.31 1nvu s ASP 775 Ca 0.77 -0.52 -0.04 0.00 -0.52 0.00 0.00 52.55 52.24 1nvu s ASP 775 Cb -0.79 0.48 0.45 0.00 -1.46 0.00 0.00 42.92 41.60 1nvu s ASP 775 CO 0.46 -0.92 1.75 0.25 0.52 0.00 0.00 175.17 177.23 1nvu h LEU 776 N 2.00 0.38 0.00 -1.34 5.85 -1.93 -2.62 115.31 117.65 1nvu h LEU 776 Ca -0.26 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1nvu h LEU 776 Cb 1.22 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1nvu h LEU 776 CO 0.30 0.16 -0.93 0.18 -0.34 0.00 0.00 178.44 177.81 1nvu n LEU 777 N -4.94 0.65 -0.01 2.25 4.77 -1.26 -4.34 117.00 114.12 1nvu n LEU 777 Ca 0.14 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1nvu n LEU 777 Cb 0.39 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1nvu n LEU 777 CO 0.20 0.10 -0.52 0.35 -1.33 0.00 0.00 177.39 176.20 1nvu n THR 778 N -1.78 1.26 -2.49 -5.08 -2.24 -1.09 -4.79 114.28 98.06 1nvu n THR 778 Ca 0.03 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 1nvu n THR 778 Cb 0.40 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 1nvu n THR 778 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nvu s LEU 779 N -5.74 3.62 0.07 3.22 1.43 -1.01 -1.02 118.68 119.25 1nvu s LEU 779 Ca -0.05 1.29 -0.31 0.00 -1.03 0.00 0.00 54.13 54.03 1nvu s LEU 779 Cb 0.08 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.01 1nvu s LEU 779 CO 0.82 -0.58 1.26 -2.28 0.23 0.00 0.00 176.35 175.81 1nvu s HIS 780 N -2.67 3.33 0.43 0.29 5.65 -1.26 -4.82 115.29 116.24 1nvu s HIS 780 Ca 0.54 1.17 0.14 0.00 0.25 0.00 0.00 55.06 57.16 1nvu s HIS 780 Cb -0.10 -3.51 1.02 0.00 -1.18 0.00 0.00 32.58 28.81 1nvu s HIS 780 CO 0.38 -1.66 1.95 -1.00 -0.65 0.00 0.00 174.74 173.76 1nvu h PRO 781 N 6.91 0.42 -0.35 2.88 0.13 -1.88 -0.38 132.00 139.72 1nvu h PRO 781 Ca -0.41 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1nvu h PRO 781 Cb 1.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1nvu h PRO 781 CO 0.84 0.28 0.06 0.82 -0.23 0.00 0.00 178.00 179.77 1nvu h ILE 782 N 0.44 1.24 0.00 -3.56 2.04 -1.91 -2.22 117.51 113.53 1nvu h ILE 782 Ca 0.32 -0.83 -0.11 0.00 1.00 0.00 0.00 64.86 65.25 1nvu h ILE 782 Cb 0.66 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1nvu h ILE 782 CO -0.10 0.28 -0.50 -0.08 0.00 0.00 0.00 178.15 177.75 1nvu h GLU 783 N 0.42 0.00 -0.14 2.37 4.57 -1.49 -1.64 114.58 118.68 1nvu h GLU 783 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1nvu h GLU 783 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1nvu h GLU 783 CO 0.01 0.50 0.04 0.82 -1.18 0.00 0.00 179.01 179.20 1nvu h ILE 784 N 0.00 1.19 -0.70 2.32 2.04 -0.94 -0.60 117.51 120.81 1nvu h ILE 784 Ca -0.01 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1nvu h ILE 784 Cb 0.97 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1nvu h ILE 784 CO 0.07 0.17 0.25 0.00 0.00 0.00 0.00 178.15 178.64 1nvu h ALA 785 N 0.85 0.92 -0.05 1.87 0.00 -1.26 -1.59 119.26 119.99 1nvu h ALA 785 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nvu h ALA 785 Cb 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nvu h ALA 785 CO -0.00 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.83 1nvu h ARG 786 N 1.02 0.08 -0.46 0.00 3.08 -1.18 -0.50 114.38 116.42 1nvu h ARG 786 Ca 0.23 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1nvu h ARG 786 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1nvu h ARG 786 CO -0.01 0.28 -0.07 1.96 -1.07 0.00 0.00 179.97 181.06 1nvu h GLN 787 N -0.13 0.81 0.00 0.04 1.08 -1.05 -1.13 115.11 114.73 1nvu h GLN 787 Ca 0.02 -0.25 -0.11 0.00 -1.45 0.00 0.00 58.65 56.85 1nvu h GLN 787 Cb 0.24 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1nvu h GLN 787 CO 0.00 0.86 -0.53 -0.07 -0.95 0.00 0.00 178.83 178.14 1nvu h LEU 788 N 0.74 0.00 -0.35 1.46 3.38 -1.27 -1.34 115.31 117.94 1nvu h LEU 788 Ca 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1nvu h LEU 788 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1nvu h LEU 788 CO 0.03 0.53 -0.29 0.74 0.09 0.00 0.00 178.44 179.54 1nvu h THR 789 N 0.00 1.29 -0.43 0.22 2.02 -0.48 0.25 112.91 115.77 1nvu h THR 789 Ca -0.01 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 1nvu h THR 789 Cb 0.96 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1nvu h THR 789 CO 0.07 0.48 0.19 -0.07 0.37 0.00 0.00 175.52 176.56 1nvu h LEU 790 N 0.59 0.58 0.13 2.58 3.38 -1.08 0.29 115.31 121.78 1nvu h LEU 790 Ca 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nvu h LEU 790 Cb 0.87 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nvu h LEU 790 CO 0.07 0.57 -0.06 0.25 0.09 0.00 0.00 178.44 179.36 1nvu h LEU 791 N 0.56 -0.15 -1.16 1.67 6.46 -1.06 -1.28 115.31 120.35 1nvu h LEU 791 Ca 0.15 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 1nvu h LEU 791 Cb 0.15 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1nvu h LEU 791 CO -0.02 -0.02 -0.19 -0.33 -0.62 0.00 0.00 178.44 177.27 1nvu h GLU 792 N -0.27 0.36 -0.14 1.25 5.08 -0.38 -1.72 114.58 118.77 1nvu h GLU 792 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1nvu h GLU 792 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1nvu h GLU 792 CO 0.03 0.54 0.02 1.03 -1.00 0.00 0.00 179.01 179.63 1nvu h SER 793 N 0.33 0.22 -0.99 1.42 0.87 -0.27 -0.56 113.55 114.57 1nvu h SER 793 Ca 0.06 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1nvu h SER 793 Cb 0.52 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 1nvu h SER 793 CO 0.03 0.43 0.65 0.44 -0.53 0.00 0.00 176.83 177.86 1nvu h ASP 794 N -0.00 1.11 -0.49 6.23 3.32 -0.94 0.64 116.42 126.29 1nvu h ASP 794 Ca 0.04 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1nvu h ASP 794 Cb 0.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1nvu h ASP 794 CO 0.00 0.79 0.02 -0.07 -1.72 0.00 0.00 179.24 178.26 1nvu h LEU 795 N 1.30 0.84 -0.28 1.55 3.38 -1.13 -2.39 115.31 118.58 1nvu h LEU 795 Ca 0.37 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nvu h LEU 795 Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1nvu h LEU 795 CO -0.09 0.93 0.13 0.22 0.09 0.00 0.00 178.44 179.72 1nvu h TYR 796 N 0.73 0.41 0.00 1.13 3.20 -0.62 -2.94 116.97 118.87 1nvu h TYR 796 Ca 0.14 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1nvu h TYR 796 Cb 0.49 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1nvu h TYR 796 CO 0.04 0.38 -0.00 0.00 -1.64 0.00 0.00 178.16 176.94 1nvu h ARG 797 N 0.31 0.00 -0.00 1.82 3.08 -0.78 -2.88 114.38 115.92 1nvu h ARG 797 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1nvu h ARG 797 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1nvu h ARG 797 CO -0.01 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.73 1nvu n ALA 798 N -2.09 2.86 -2.63 0.04 0.00 -0.91 -4.85 120.51 112.92 1nvu n ALA 798 Ca -0.01 -0.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 1nvu n ALA 798 Cb 0.22 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1nvu n ALA 798 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nvu s VAL 799 N -2.57 4.64 0.21 0.00 1.01 -1.09 -4.86 120.40 117.73 1nvu s VAL 799 Ca 0.25 1.96 -0.02 0.00 0.00 0.00 0.00 61.98 64.17 1nvu s VAL 799 Cb 0.20 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1nvu s VAL 799 CO 0.51 -0.12 0.42 -1.10 0.00 0.00 0.00 175.10 174.81 1nvu s GLN 800 N 2.89 3.56 0.40 2.72 -1.52 -1.26 -5.01 119.66 121.44 1nvu s GLN 800 Ca 0.47 -0.23 0.09 0.00 -1.95 0.00 0.00 55.36 53.74 1nvu s GLN 800 Cb -0.17 -2.81 0.89 0.00 -0.22 0.00 0.00 33.01 30.70 1nvu s GLN 800 CO 0.11 0.38 1.99 -1.35 -0.25 0.00 0.00 175.29 176.17 1nvu h PRO 801 N 2.09 0.55 -0.01 2.91 0.11 -1.96 -1.63 132.00 134.07 1nvu h PRO 801 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nvu h PRO 801 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nvu h PRO 801 CO 0.68 0.36 0.07 0.66 -0.21 0.00 0.00 178.00 179.56 1nvu h SER 802 N 0.57 0.00 0.64 -2.05 4.64 -1.94 0.20 113.55 115.61 1nvu h SER 802 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1nvu h SER 802 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1nvu h SER 802 CO -0.08 0.00 -0.13 -0.62 -0.87 0.00 0.00 176.83 175.14 1nvu n GLU 803 N -3.15 0.28 -0.04 4.77 1.02 -0.61 -4.32 120.64 118.59 1nvu n GLU 803 Ca -0.03 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.97 1nvu n GLU 803 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1nvu n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvu n LEU 804 N -1.30 2.38 -4.74 -4.62 4.77 0.62 -3.92 117.00 110.20 1nvu n LEU 804 Ca 0.10 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1nvu n LEU 804 Cb 0.30 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1nvu n LEU 804 CO 0.27 0.52 1.04 0.52 -1.33 0.00 0.00 177.39 178.41 1nvu n VAL 805 N -2.91 1.96 -0.99 4.08 0.31 -0.72 -1.65 118.33 118.41 1nvu n VAL 805 Ca -0.15 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1nvu n VAL 805 Cb 0.65 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1nvu n VAL 805 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nvu n GLY 806 N 0.65 0.44 3.14 2.92 0.00 -1.26 -3.57 105.19 107.51 1nvu n GLY 806 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1nvu n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nvu n SER 807 N -0.18 -4.88 0.31 1.61 7.64 -0.66 -4.86 113.62 112.60 1nvu n SER 807 Ca 0.00 -0.30 0.17 0.00 1.01 0.00 0.00 58.87 59.75 1nvu n SER 807 Cb 0.09 -3.99 0.99 0.00 -1.01 0.00 0.00 64.21 60.29 1nvu n SER 807 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1nvu h VAL 808 N -1.10 0.39 0.00 0.44 -1.51 -1.69 -1.80 116.25 110.99 1nvu h VAL 808 Ca -0.47 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1nvu h VAL 808 Cb 1.32 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1nvu h VAL 808 CO 0.54 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 174.21 1nvu n TRP 809 N -3.65 0.00 0.89 5.19 2.14 -1.25 -2.42 117.44 118.34 1nvu n TRP 809 Ca -0.03 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.64 1nvu n TRP 809 Cb 0.08 -0.42 -0.04 0.00 -0.81 0.00 0.00 31.31 30.13 1nvu n TRP 809 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1nvu n THR 810 N -1.42 0.00 -2.57 -1.67 -2.24 -0.68 -4.80 114.28 100.91 1nvu n THR 810 Ca 0.07 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 1nvu n THR 810 Cb 0.20 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 69.65 1nvu n THR 810 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nvu s LYS 811 N -2.44 2.22 0.57 -0.78 -0.14 -1.02 -5.00 119.74 113.16 1nvu s LYS 811 Ca 0.13 -0.82 0.34 0.00 -1.36 0.00 0.00 55.97 54.26 1nvu s LYS 811 Cb 0.16 -2.40 1.72 0.00 -1.68 0.00 0.00 37.83 35.63 1nvu s LYS 811 CO 0.60 -1.01 2.14 1.05 -0.76 0.00 0.00 175.35 177.37 1nvu h GLU 812 N -0.20 0.00 -0.81 1.68 4.11 -1.95 -2.12 114.58 115.29 1nvu h GLU 812 Ca -0.40 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.77 1nvu h GLU 812 Cb 1.29 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 1nvu h GLU 812 CO 0.49 0.05 0.32 -0.25 0.07 0.00 0.00 179.01 179.69 1nvu n ASP 813 N -3.31 4.60 -0.13 3.06 8.00 -1.26 -4.62 116.55 122.89 1nvu n ASP 813 Ca -0.01 -3.22 0.10 0.00 0.71 0.00 0.00 54.79 52.36 1nvu n ASP 813 Cb 0.21 -0.75 0.44 0.00 -0.02 0.00 0.00 41.12 40.99 1nvu n ASP 813 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1nvu h LYS 814 N 2.34 0.54 -0.28 -1.24 2.10 -1.50 0.11 116.57 118.63 1nvu h LYS 814 Ca 0.31 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.88 1nvu h LYS 814 Cb 2.37 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 33.56 1nvu h LYS 814 CO 0.77 0.35 -0.04 0.93 -2.00 0.00 0.00 179.45 179.47 1nvu h GLU 815 N 0.55 0.44 0.18 0.07 4.39 -1.86 0.30 114.58 118.65 1nvu h GLU 815 Ca 0.30 -0.10 -0.27 0.00 0.34 0.00 0.00 59.36 59.63 1nvu h GLU 815 Cb 0.45 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1nvu h GLU 815 CO -0.10 0.50 -1.27 0.82 -1.16 0.00 0.00 179.01 177.81 1nvu h ILE 816 N 0.42 1.26 0.00 3.13 2.04 -1.56 -3.32 117.51 119.49 1nvu h ILE 816 Ca 0.09 -2.55 -0.08 0.00 1.00 0.00 0.00 64.86 63.31 1nvu h ILE 816 Cb 0.35 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1nvu h ILE 816 CO 0.01 0.76 -1.08 0.78 0.00 0.00 0.00 178.15 178.62 1nvu h ASN 817 N -0.14 0.00 -1.03 1.72 2.35 -0.92 -3.40 115.58 114.16 1nvu h ASN 817 Ca -0.24 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.05 1nvu h ASN 817 Cb 1.89 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.84 1nvu h ASN 817 CO 0.17 0.30 -0.94 -1.20 -1.65 0.00 0.00 177.43 174.11 1nvu n SER 818 N -2.84 3.35 -0.30 5.81 7.64 0.10 -4.19 113.62 123.20 1nvu n SER 818 Ca -0.04 -3.17 -0.00 0.00 1.01 0.00 0.00 58.87 56.67 1nvu n SER 818 Cb 0.69 -0.46 0.12 0.00 -1.01 0.00 0.00 64.21 63.56 1nvu n SER 818 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1nvu h PRO 819 N 2.61 0.92 -0.26 1.43 0.13 -1.69 -1.16 132.00 133.98 1nvu h PRO 819 Ca 0.13 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 1nvu h PRO 819 Cb 1.18 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1nvu h PRO 819 CO 0.62 0.61 -0.59 -0.91 -0.23 0.00 0.00 178.00 177.50 1nvu h ASN 820 N 0.94 0.94 0.12 1.44 2.35 -1.91 -1.80 115.58 117.67 1nvu h ASN 820 Ca 0.35 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1nvu h ASN 820 Cb 0.13 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1nvu h ASN 820 CO -0.16 1.32 -0.06 0.25 -1.65 0.00 0.00 177.43 177.13 1nvu h LEU 821 N 0.63 -0.14 -1.34 1.61 5.85 -1.85 -1.84 115.31 118.23 1nvu h LEU 821 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1nvu h LEU 821 Cb 1.20 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1nvu h LEU 821 CO 0.13 -0.00 0.31 -0.07 -0.34 0.00 0.00 178.44 178.47 1nvu h LEU 822 N -0.27 0.68 -0.77 2.25 3.38 -1.21 -0.62 115.31 118.75 1nvu h LEU 822 Ca -0.02 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1nvu h LEU 822 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1nvu h LEU 822 CO 0.03 0.54 -0.06 0.50 0.09 0.00 0.00 178.44 179.53 1nvu h LYS 823 N 0.77 0.87 -0.25 1.13 3.64 -1.19 0.55 116.57 122.10 1nvu h LYS 823 Ca 0.20 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1nvu h LYS 823 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1nvu h LYS 823 CO -0.03 0.91 -0.03 1.98 -2.27 0.00 0.00 179.45 180.00 1nvu h MET 824 N 0.80 0.46 -0.61 1.90 4.05 -0.46 -2.00 114.93 119.06 1nvu h MET 824 Ca 0.14 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1nvu h MET 824 Cb 0.56 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1nvu h MET 824 CO 0.03 0.66 0.04 0.82 0.23 0.00 0.00 176.91 178.69 1nvu h ILE 825 N 0.21 1.26 -0.21 1.77 2.04 -0.92 -2.67 117.51 118.99 1nvu h ILE 825 Ca 0.07 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 1nvu h ILE 825 Cb 0.47 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1nvu h ILE 825 CO 0.02 0.40 -0.19 0.03 0.00 0.00 0.00 178.15 178.41 1nvu h ARG 826 N 0.96 0.37 -0.24 2.37 3.08 -0.84 -0.99 114.38 119.09 1nvu h ARG 826 Ca 0.18 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1nvu h ARG 826 Cb 0.51 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1nvu h ARG 826 CO 0.02 0.56 0.02 1.25 -1.07 0.00 0.00 179.97 180.75 1nvu h HIS 827 N 0.34 0.45 -0.72 3.04 2.76 -1.19 -0.54 115.15 119.29 1nvu h HIS 827 Ca 0.06 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1nvu h HIS 827 Cb 0.54 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 1nvu h HIS 827 CO 0.01 0.56 0.45 1.15 -1.30 0.00 0.00 177.93 178.81 1nvu h THR 828 N 0.21 1.11 -0.23 6.26 2.02 -1.12 -0.50 112.91 120.67 1nvu h THR 828 Ca 0.07 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1nvu h THR 828 Cb 0.37 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1nvu h THR 828 CO 0.01 0.16 0.04 0.74 0.37 0.00 0.00 175.52 176.85 1nvu h THR 829 N 0.89 1.22 -0.61 3.16 2.02 -1.09 -2.14 112.91 116.35 1nvu h THR 829 Ca 0.28 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1nvu h THR 829 Cb 0.01 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1nvu h THR 829 CO -0.10 0.23 0.31 0.78 0.37 0.00 0.00 175.52 177.11 1nvu h ASN 830 N 0.18 0.77 -0.32 4.18 2.35 -0.75 -1.51 115.58 120.48 1nvu h ASN 830 Ca 0.07 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1nvu h ASN 830 Cb 0.30 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1nvu h ASN 830 CO 0.00 0.64 -0.38 0.25 -1.65 0.00 0.00 177.43 176.29 1nvu h LEU 831 N 0.86 0.93 -0.36 1.61 5.85 -0.93 -0.58 115.31 122.68 1nvu h LEU 831 Ca 0.22 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1nvu h LEU 831 Cb 0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1nvu h LEU 831 CO -0.03 1.20 0.18 0.74 -0.34 0.00 0.00 178.44 180.19 1nvu h THR 832 N 0.72 1.16 -0.63 1.05 2.02 -1.03 -1.07 112.91 115.11 1nvu h THR 832 Ca 0.06 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1nvu h THR 832 Cb 0.96 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1nvu h THR 832 CO 0.09 0.17 0.22 -0.07 0.37 0.00 0.00 175.52 176.30 1nvu h LEU 833 N 0.45 0.87 -0.52 2.58 3.38 -1.18 -1.71 115.31 119.19 1nvu h LEU 833 Ca 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nvu h LEU 833 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1nvu h LEU 833 CO -0.02 0.80 0.22 -0.25 0.09 0.00 0.00 178.44 179.29 1nvu h TRP 834 N 0.92 0.77 -0.51 1.13 7.01 -0.67 -0.06 115.95 124.54 1nvu h TRP 834 Ca 0.21 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1nvu h TRP 834 Cb 0.23 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1nvu h TRP 834 CO 0.02 0.63 0.31 0.74 -2.79 0.00 0.00 178.44 177.35 1nvu h PHE 835 N 0.69 0.67 -0.67 2.65 0.04 -0.75 0.11 116.94 119.69 1nvu h PHE 835 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1nvu h PHE 835 Cb 0.17 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 1nvu h PHE 835 CO 0.00 0.46 0.42 0.93 -0.60 0.00 0.00 178.31 179.52 1nvu h GLU 836 N 0.69 0.89 -0.24 1.51 5.08 -1.08 -2.19 114.58 119.23 1nvu h GLU 836 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1nvu h GLU 836 Cb -0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1nvu h GLU 836 CO -0.04 0.62 0.04 -0.22 -1.00 0.00 0.00 179.01 178.41 1nvu h LYS 837 N 0.90 0.40 -0.90 2.33 3.64 -0.61 -1.39 116.57 120.95 1nvu h LYS 837 Ca 0.24 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 1nvu h LYS 837 Cb -0.06 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.64 1nvu h LYS 837 CO -0.05 0.52 0.58 0.00 -2.27 0.00 0.00 179.45 178.24 1nvu h ILE 839 N 0.88 0.00 0.00 0.00 2.04 -1.00 -3.27 117.51 116.16 1nvu h ILE 839 Ca 0.42 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1nvu h ILE 839 Cb 0.44 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1nvu h ILE 839 CO -0.19 0.00 0.00 -0.37 0.00 0.00 0.00 178.15 177.59 1nvu h VAL 840 N -1.04 0.00 -0.02 1.67 -1.51 -1.24 -2.30 116.25 111.81 1nvu h VAL 840 Ca -0.06 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1nvu h VAL 840 Cb 0.44 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1nvu h VAL 840 CO 0.10 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.82 1nvu n GLU 841 N -2.88 1.56 -3.39 5.19 1.02 -0.65 -4.43 120.64 117.05 1nvu n GLU 841 Ca -0.00 -0.81 -0.45 0.00 -0.02 0.00 0.00 57.16 55.88 1nvu n GLU 841 Cb 0.22 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1nvu n GLU 841 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nvu s THR 842 N -1.99 5.27 0.22 2.62 2.01 -0.86 -4.92 115.64 117.99 1nvu s THR 842 Ca 0.39 -2.40 -0.03 0.00 0.31 0.00 0.00 61.69 59.96 1nvu s THR 842 Cb 0.21 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 68.46 1nvu s THR 842 CO 0.34 -0.98 1.63 -0.33 -0.69 0.00 0.00 174.62 174.59 1nvu h GLU 843 N 7.83 0.70 -6.37 4.92 5.08 -1.83 -3.40 114.58 121.52 1nvu h GLU 843 Ca 0.03 -0.29 -0.54 0.00 -1.00 0.00 0.00 59.36 57.56 1nvu h GLU 843 Cb 1.04 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1nvu h GLU 843 CO 0.78 0.89 0.98 1.21 -1.00 0.00 0.00 179.01 181.88 1nvu s ASN 844 N -6.78 6.69 0.14 1.42 3.84 -1.26 -4.65 114.94 114.33 1nvu s ASN 844 Ca -0.09 2.31 -0.27 0.00 0.21 0.00 0.00 52.86 55.03 1nvu s ASN 844 Cb 0.13 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.25 1nvu s ASN 844 CO 0.83 -0.85 1.60 0.25 -2.79 0.00 0.00 177.10 176.13 1nvu h LEU 845 N 9.01 -1.14 -0.68 3.21 5.85 -1.87 0.07 115.31 129.77 1nvu h LEU 845 Ca -0.40 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.56 1nvu h LEU 845 Cb 1.19 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 1nvu h LEU 845 CO 0.93 -0.38 0.36 -0.08 -0.34 0.00 0.00 178.44 178.93 1nvu h GLU 846 N -0.41 0.61 -0.24 1.25 4.81 -1.96 0.48 114.58 119.12 1nvu h GLU 846 Ca 0.10 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1nvu h GLU 846 Cb 0.58 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1nvu h GLU 846 CO -0.40 0.40 -0.30 0.93 -0.73 0.00 0.00 179.01 178.91 1nvu h GLU 847 N 0.63 0.48 -0.53 1.92 5.08 -1.83 -2.36 114.58 117.96 1nvu h GLU 847 Ca 0.32 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1nvu h GLU 847 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1nvu h GLU 847 CO -0.23 0.73 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.32 1nvu h ARG 848 N 0.41 0.99 -0.74 2.33 2.43 0.15 -0.67 114.38 119.27 1nvu h ARG 848 Ca 0.05 -0.36 0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1nvu h ARG 848 Cb 0.74 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 1nvu h ARG 848 CO 0.06 1.03 0.49 0.28 -1.51 0.00 0.00 179.97 180.32 1nvu h VAL 849 N 0.88 1.18 -0.69 0.20 2.07 -0.78 0.78 116.25 119.89 1nvu h VAL 849 Ca 0.14 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1nvu h VAL 849 Cb 0.65 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1nvu h VAL 849 CO 0.05 0.18 0.28 0.00 0.02 0.00 0.00 177.57 178.10 1nvu h ALA 850 N 1.28 1.19 -0.14 1.67 0.00 -0.86 -0.83 119.26 121.56 1nvu h ALA 850 Ca 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nvu h ALA 850 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1nvu h ALA 850 CO -0.07 0.59 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 1nvu h VAL 851 N 1.00 1.26 -0.75 0.00 2.07 -0.19 -1.75 116.25 117.90 1nvu h VAL 851 Ca 0.23 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1nvu h VAL 851 Cb 0.18 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1nvu h VAL 851 CO -0.02 0.25 0.44 0.58 0.02 0.00 0.00 177.57 178.83 1nvu h VAL 852 N -0.02 1.22 -0.63 2.57 2.07 -0.69 -2.06 116.25 118.71 1nvu h VAL 852 Ca 0.04 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1nvu h VAL 852 Cb 0.38 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1nvu h VAL 852 CO 0.01 0.23 0.16 0.28 0.02 0.00 0.00 177.57 178.27 1nvu h SER 853 N 1.02 0.92 -0.72 0.57 0.02 -1.10 -1.60 113.55 112.67 1nvu h SER 853 Ca 0.27 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1nvu h SER 853 Cb -0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1nvu h SER 853 CO -0.05 0.89 0.20 -0.09 -1.14 0.00 0.00 176.83 176.64 1nvu h ARG 854 N 0.94 1.15 -0.24 3.45 9.65 -0.96 -1.40 114.38 126.97 1nvu h ARG 854 Ca 0.20 -0.26 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 1nvu h ARG 854 Cb 0.32 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1nvu h ARG 854 CO -0.00 0.99 -0.21 0.82 2.80 0.00 0.00 179.97 184.37 1nvu h ILE 855 N 1.09 1.25 -0.03 1.20 2.04 -0.97 -1.41 117.51 120.68 1nvu h ILE 855 Ca 0.23 -1.14 -0.14 0.00 1.00 0.00 0.00 64.86 64.81 1nvu h ILE 855 Cb 0.34 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1nvu h ILE 855 CO -0.00 0.36 -0.62 0.40 0.00 0.00 0.00 178.15 178.29 1nvu h ILE 856 N 0.39 1.42 -0.36 -0.67 2.04 -0.92 -1.80 117.51 117.60 1nvu h ILE 856 Ca 0.06 -2.06 -0.11 0.00 1.00 0.00 0.00 64.86 63.75 1nvu h ILE 856 Cb 0.58 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1nvu h ILE 856 CO 0.04 0.60 -0.23 -0.33 0.00 0.00 0.00 178.15 178.22 1nvu h GLU 857 N 0.08 0.73 -0.70 2.37 5.08 -0.65 -1.33 114.58 120.17 1nvu h GLU 857 Ca -0.01 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1nvu h GLU 857 Cb 1.11 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1nvu h GLU 857 CO 0.09 0.89 0.25 0.82 -1.00 0.00 0.00 179.01 180.06 1nvu h ILE 858 N 0.63 1.25 -0.69 3.13 2.04 -0.93 -1.90 117.51 121.05 1nvu h ILE 858 Ca 0.09 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1nvu h ILE 858 Cb 0.73 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1nvu h ILE 858 CO 0.06 0.33 0.44 0.25 0.00 0.00 0.00 178.15 179.23 1nvu h LEU 859 N 1.01 0.74 -1.08 1.44 6.46 -1.01 -0.03 115.31 122.83 1nvu h LEU 859 Ca 0.23 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1nvu h LEU 859 Cb 0.26 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 1nvu h LEU 859 CO -0.01 0.52 0.62 -0.61 -0.62 0.00 0.00 178.44 178.34 1nvu h GLN 860 N 0.88 1.17 -0.09 1.25 4.15 -0.67 0.05 115.11 121.83 1nvu h GLN 860 Ca 0.27 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.42 1nvu h GLN 860 Cb -0.03 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.40 1nvu h GLN 860 CO -0.09 0.77 -0.76 0.28 -1.93 0.00 0.00 178.83 177.11 1nvu h VAL 861 N 1.20 1.35 -0.79 2.39 2.07 -0.59 -2.54 116.25 119.34 1nvu h VAL 861 Ca 0.37 -2.11 0.06 0.00 0.82 0.00 0.00 66.70 65.84 1nvu h VAL 861 Cb -0.02 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1nvu h VAL 861 CO -0.11 0.64 0.48 -0.26 0.02 0.00 0.00 177.57 178.34 1nvu h PHE 862 N 0.34 0.88 -0.62 1.57 0.04 -0.07 -0.57 116.94 118.50 1nvu h PHE 862 Ca -0.04 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1nvu h PHE 862 Cb 1.35 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.20 1nvu h PHE 862 CO 0.06 0.44 0.19 1.96 -0.60 0.00 0.00 178.31 180.35 1nvu h GLN 863 N 0.87 0.97 -0.44 1.51 1.08 -0.90 0.34 115.11 118.53 1nvu h GLN 863 Ca 0.35 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1nvu h GLN 863 Cb 0.18 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1nvu h GLN 863 CO -0.18 0.86 0.15 0.93 -0.95 0.00 0.00 178.83 179.65 1nvu h GLU 864 N 0.90 0.64 -0.04 1.46 5.08 -0.93 -2.14 114.58 119.54 1nvu h GLU 864 Ca 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nvu h GLU 864 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nvu h GLU 864 CO -0.00 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.83 1nvu n LEU 865 N -4.35 1.07 -2.69 1.33 4.77 -0.30 -4.92 117.00 111.92 1nvu n LEU 865 Ca 0.03 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.41 1nvu n LEU 865 Cb 0.17 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1nvu n LEU 865 CO 0.38 0.19 -0.14 0.59 -1.33 0.00 0.00 177.39 177.08 1nvu n ASN 866 N -0.14 -5.98 -4.42 -1.43 3.02 -0.62 -4.61 115.26 101.07 1nvu n ASN 866 Ca 0.19 -0.14 -0.45 0.00 -0.03 0.00 0.00 54.58 54.15 1nvu n ASN 866 Cb 0.27 -4.91 -0.02 0.00 -0.61 0.00 0.00 39.78 34.51 1nvu n ASN 866 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nvu s ASN 867 N -2.35 6.79 0.34 6.41 3.84 0.01 -1.42 114.94 128.56 1nvu s ASN 867 Ca 0.14 -2.47 0.11 0.00 0.21 0.00 0.00 52.86 50.86 1nvu s ASN 867 Cb -0.06 -2.35 0.61 0.00 -0.55 0.00 0.00 41.25 38.90 1nvu s ASN 867 CO 0.18 -0.85 1.77 -0.26 -2.79 0.00 0.00 177.10 175.14 1nvu h PHE 868 N 8.15 0.05 -0.63 0.43 0.04 -1.08 -1.76 116.94 122.14 1nvu h PHE 868 Ca 0.18 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1nvu h PHE 868 Cb 0.99 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.10 1nvu h PHE 868 CO 1.10 0.46 0.08 -0.97 -0.60 0.00 0.00 178.31 178.38 1nvu h ASN 869 N 0.04 1.02 -0.43 2.17 -1.24 -1.52 -1.67 115.58 113.94 1nvu h ASN 869 Ca 0.00 -0.27 -0.04 0.00 0.71 0.00 0.00 56.30 56.70 1nvu h ASN 869 Cb 0.76 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1nvu h ASN 869 CO 0.06 1.03 0.12 1.23 -1.29 0.00 0.00 177.43 178.58 1nvu h GLY 870 N 0.97 0.74 0.78 1.57 0.00 -1.74 -1.61 103.07 103.77 1nvu h GLY 870 Ca 0.19 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1nvu h GLY 870 CO 0.02 0.42 0.18 -2.08 0.00 0.00 0.00 176.54 175.08 1nvu h VAL 871 N 0.56 0.96 0.00 4.60 2.07 -1.15 -2.47 116.25 120.82 1nvu h VAL 871 Ca 0.14 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1nvu h VAL 871 Cb 0.29 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1nvu h VAL 871 CO -0.00 0.07 -0.30 -0.07 0.02 0.00 0.00 177.57 177.29 1nvu h LEU 872 N 0.37 0.00 -0.77 2.57 3.38 -1.11 -1.45 115.31 118.31 1nvu h LEU 872 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1nvu h LEU 872 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1nvu h LEU 872 CO -0.13 0.30 0.38 -0.33 0.09 0.00 0.00 178.44 178.75 1nvu h GLU 873 N 0.00 1.11 -0.08 1.13 5.08 -0.84 0.32 114.58 121.30 1nvu h GLU 873 Ca -0.00 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1nvu h GLU 873 Cb 0.77 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1nvu h GLU 873 CO 0.04 0.86 -0.17 0.28 -1.00 0.00 0.00 179.01 179.02 1nvu h VAL 874 N 1.09 1.40 -0.71 3.13 2.07 -1.14 -2.43 116.25 119.66 1nvu h VAL 874 Ca 0.27 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1nvu h VAL 874 Cb 0.11 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1nvu h VAL 874 CO -0.03 0.41 0.46 0.58 0.02 0.00 0.00 177.57 179.01 1nvu h VAL 875 N -0.21 1.16 -0.96 2.57 2.07 -1.09 -0.09 116.25 119.69 1nvu h VAL 875 Ca 0.00 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1nvu h VAL 875 Cb 0.75 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1nvu h VAL 875 CO 0.04 0.17 0.63 0.28 0.02 0.00 0.00 177.57 178.71 1nvu h SER 876 N 0.94 1.06 -0.30 0.57 0.02 -0.35 -1.09 113.55 114.40 1nvu h SER 876 Ca 0.27 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1nvu h SER 876 Cb -0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1nvu h SER 876 CO -0.07 0.74 -0.14 0.00 -1.14 0.00 0.00 176.83 176.21 1nvu h ALA 877 N 1.38 0.42 0.00 3.77 0.00 -0.85 -2.24 119.26 121.74 1nvu h ALA 877 Ca 0.38 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nvu h ALA 877 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1nvu h ALA 877 CO -0.11 0.31 -0.15 0.52 0.00 0.00 0.00 179.25 179.81 1nvu h MET 878 N 0.37 0.00 -0.50 0.00 2.86 -0.71 -2.57 114.93 114.39 1nvu h MET 878 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1nvu h MET 878 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1nvu h MET 878 CO 0.04 0.15 0.00 0.09 1.06 0.00 0.00 176.91 178.26 1nvu n ASN 879 N -3.88 3.53 -4.80 1.22 3.02 -0.44 -3.03 115.26 110.88 1nvu n ASN 879 Ca -0.02 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.22 1nvu n ASN 879 Cb 0.25 -0.32 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1nvu n ASN 879 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1nvu s SER 880 N -1.33 5.47 0.25 6.41 1.04 -0.86 -4.71 113.70 119.97 1nvu s SER 880 Ca 0.42 1.80 -0.03 0.00 0.48 0.00 0.00 55.95 58.62 1nvu s SER 880 Cb 0.23 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 64.27 1nvu s SER 880 CO 0.32 -1.38 1.78 0.28 0.98 0.00 0.00 173.24 175.22 1nvu h SER 881 N -0.03 0.56 -0.37 7.02 0.02 -1.91 0.12 113.55 118.96 1nvu h SER 881 Ca -0.46 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.49 1nvu h SER 881 Cb 1.22 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1nvu h SER 881 CO 0.56 0.29 -0.01 -0.65 -1.14 0.00 0.00 176.83 175.88 1nvu h PRO 882 N 0.68 0.76 0.07 3.45 0.11 -1.92 -3.32 132.00 131.82 1nvu h PRO 882 Ca 0.41 -0.20 -0.37 0.00 0.11 0.00 0.00 66.00 65.96 1nvu h PRO 882 Cb 0.49 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 1nvu h PRO 882 CO -0.30 0.77 -2.11 0.28 -0.21 0.00 0.00 178.00 176.43 1nvu n VAL 883 N -4.22 1.66 -0.29 3.15 0.31 -0.99 -4.37 118.33 113.58 1nvu n VAL 883 Ca 0.02 -0.55 0.22 0.00 -0.01 0.00 0.00 64.34 64.02 1nvu n VAL 883 Cb 0.30 -1.68 0.51 0.00 -0.91 0.00 0.00 33.84 32.06 1nvu n VAL 883 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1nvu h TYR 884 N -0.12 0.59 -0.00 3.52 3.20 -0.68 -1.73 116.97 121.74 1nvu h TYR 884 Ca -0.48 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1nvu h TYR 884 Cb 1.90 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1nvu h TYR 884 CO 0.06 0.10 -0.02 2.89 -1.64 0.00 0.00 178.16 179.55 1nvu n ARG 885 N -4.56 0.96 -1.37 1.82 1.85 -1.25 -4.58 116.66 109.53 1nvu n ARG 885 Ca 0.23 -0.17 -0.38 0.00 -1.00 0.00 0.00 57.85 56.53 1nvu n ARG 885 Cb 0.82 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.71 1nvu n ARG 885 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1nvu n LEU 886 N -0.87 7.41 -0.35 2.89 4.77 -0.65 -4.73 117.00 125.46 1nvu n LEU 886 Ca 0.20 -4.03 0.12 0.00 -0.03 0.00 0.00 56.01 52.28 1nvu n LEU 886 Cb 0.19 -1.51 0.31 0.00 -2.33 0.00 0.00 43.42 40.08 1nvu n LEU 886 CO 0.19 1.43 1.19 0.44 -1.33 0.00 0.00 177.39 179.31 1nvu h ASP 887 N 5.67 0.77 0.42 -1.43 3.32 -1.87 -0.14 116.42 123.16 1nvu h ASP 887 Ca 0.70 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.80 1nvu h ASP 887 Cb 0.41 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1nvu h ASP 887 CO 1.80 0.28 -0.25 0.45 -1.72 0.00 0.00 179.24 179.79 1nvu h HIS 888 N 0.76 0.00 0.00 4.55 3.86 -2.00 -1.07 115.15 121.26 1nvu h HIS 888 Ca 0.57 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1nvu h HIS 888 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1nvu h HIS 888 CO -0.01 0.25 -0.00 1.15 0.86 0.00 0.00 177.93 180.18 1nvu h THR 889 N 0.00 1.65 0.00 2.45 2.02 -1.44 -3.32 112.91 114.27 1nvu h THR 889 Ca -0.00 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.04 1nvu h THR 889 Cb 0.53 3.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1nvu h THR 889 CO 0.03 0.54 -0.12 -0.26 0.37 0.00 0.00 175.52 176.08 1nvu h PHE 890 N -0.93 0.00 -0.23 3.16 0.04 -1.34 -2.06 116.94 115.58 1nvu h PHE 890 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1nvu h PHE 890 Cb 0.88 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 1nvu h PHE 890 CO 0.24 0.12 -0.06 1.49 -0.60 0.00 0.00 178.31 179.50 1nvu h GLU 891 N 0.00 0.36 -0.03 1.51 4.57 -1.29 -2.60 114.58 117.10 1nvu h GLU 891 Ca -0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1nvu h GLU 891 Cb 0.41 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1nvu h GLU 891 CO 0.02 0.44 0.00 1.04 -1.18 0.00 0.00 179.01 179.32 1nvu n GLN 892 N -4.29 1.68 -2.64 1.92 6.02 -0.78 -4.88 117.38 114.41 1nvu n GLN 892 Ca 0.00 -1.00 -0.42 0.00 -0.01 0.00 0.00 57.00 55.58 1nvu n GLN 892 Cb 0.24 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1nvu n GLN 892 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1nvu s ILE 893 N -1.98 4.67 0.40 5.09 -1.09 -0.98 -4.99 121.20 122.32 1nvu s ILE 893 Ca 0.37 1.92 -0.26 0.00 -2.23 0.00 0.00 60.65 60.45 1nvu s ILE 893 Cb 0.21 -4.23 -0.11 0.00 -1.58 0.00 0.00 42.46 36.75 1nvu s ILE 893 CO 0.33 0.13 1.25 -0.81 -1.23 0.00 0.00 174.94 174.60 1nvu n PRO 894 N 4.09 1.93 -0.32 2.79 -0.04 -1.26 -4.73 135.00 137.46 1nvu n PRO 894 Ca 0.07 0.68 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 1nvu n PRO 894 Cb 0.50 -2.33 0.31 0.00 -0.04 0.00 0.00 33.50 31.94 1nvu n PRO 894 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1nvu h SER 895 N 2.17 0.57 -0.73 3.54 0.02 -1.96 0.04 113.55 117.20 1nvu h SER 895 Ca -0.47 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1nvu h SER 895 Cb 1.30 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 1nvu h SER 895 CO 0.60 0.14 0.48 0.08 -1.14 0.00 0.00 176.83 176.99 1nvu h ARG 896 N 0.58 0.78 0.03 3.45 0.11 -2.00 -0.75 114.38 116.58 1nvu h ARG 896 Ca 0.57 -0.05 -0.22 0.00 0.10 0.00 0.00 59.98 60.38 1nvu h ARG 896 Cb 0.98 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 1nvu h ARG 896 CO -0.45 0.52 -0.97 1.96 0.10 0.00 0.00 179.97 181.13 1nvu h GLN 897 N 0.81 0.21 -0.81 0.08 4.20 -1.36 -2.50 115.11 115.74 1nvu h GLN 897 Ca 0.30 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1nvu h GLN 897 Cb 0.18 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1nvu h GLN 897 CO -0.10 1.03 0.41 0.87 -0.67 0.00 0.00 178.83 180.37 1nvu h LYS 898 N 0.10 1.16 -0.26 1.46 1.57 -0.71 -1.42 116.57 118.46 1nvu h LYS 898 Ca -0.06 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1nvu h LYS 898 Cb 1.64 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 1nvu h LYS 898 CO 0.15 0.88 0.11 -0.22 -0.57 0.00 0.00 179.45 179.80 1nvu h LYS 899 N 1.14 0.39 -0.51 3.15 3.64 -1.11 0.13 116.57 123.41 1nvu h LYS 899 Ca 0.28 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1nvu h LYS 899 Cb 0.08 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1nvu h LYS 899 CO -0.04 0.41 0.28 0.82 -2.27 0.00 0.00 179.45 178.65 1nvu h ILE 900 N 0.28 1.00 -0.41 2.00 2.04 -1.15 0.03 117.51 121.30 1nvu h ILE 900 Ca 0.09 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1nvu h ILE 900 Cb 0.16 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1nvu h ILE 900 CO -0.01 0.10 0.04 0.25 0.00 0.00 0.00 178.15 178.53 1nvu h LEU 901 N 0.55 0.68 -0.47 1.44 5.85 -1.06 -2.03 115.31 120.27 1nvu h LEU 901 Ca 0.22 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1nvu h LEU 901 Cb 0.08 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1nvu h LEU 901 CO -0.13 0.79 0.30 -0.08 -0.34 0.00 0.00 178.44 178.99 1nvu h GLU 902 N 0.54 0.62 -0.65 1.25 4.57 -0.55 0.13 114.58 120.49 1nvu h GLU 902 Ca 0.12 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1nvu h GLU 902 Cb 0.42 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1nvu h GLU 902 CO 0.01 0.42 0.23 0.93 -1.18 0.00 0.00 179.01 179.42 1nvu h GLU 903 N 0.63 0.98 -0.35 1.92 5.08 -0.92 0.86 114.58 122.78 1nvu h GLU 903 Ca 0.17 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1nvu h GLU 903 Cb -0.06 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1nvu h GLU 903 CO -0.04 0.82 0.08 0.00 -1.00 0.00 0.00 179.01 178.87 1nvu h ALA 904 N 1.30 0.47 -0.90 3.43 0.00 -0.87 -2.63 119.26 120.05 1nvu h ALA 904 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nvu h ALA 904 Cb 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1nvu h ALA 904 CO -0.01 0.15 0.60 1.25 0.00 0.00 0.00 179.25 181.23 1nvu h HIS 905 N 0.42 1.12 0.00 0.00 -0.00 -0.24 -2.16 115.15 114.29 1nvu h HIS 905 Ca 0.11 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1nvu h HIS 905 Cb 0.32 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1nvu h HIS 905 CO 0.02 0.70 -0.04 0.93 -0.00 0.00 0.00 177.93 179.53 1nvu h GLU 906 N 1.21 0.00 -0.44 5.26 5.08 -0.47 -2.53 114.58 122.68 1nvu h GLU 906 Ca 0.33 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1nvu h GLU 906 Cb -0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1nvu h GLU 906 CO -0.08 0.04 0.29 -0.07 -1.00 0.00 0.00 179.01 178.20 1nvu h LEU 907 N 0.00 0.44 0.00 1.33 3.38 -1.23 -2.74 115.31 116.49 1nvu h LEU 907 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nvu h LEU 907 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1nvu h LEU 907 CO 0.01 0.31 -0.66 0.77 0.09 0.00 0.00 178.44 178.95 1nvu h SER 908 N 0.51 0.00 -4.25 -0.43 4.64 -1.60 -2.25 113.55 110.16 1nvu h SER 908 Ca 0.17 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1nvu h SER 908 Cb 0.07 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.33 1nvu h SER 908 CO -0.04 0.09 0.29 -1.61 -0.87 0.00 0.00 176.83 174.69 1nvu s GLU 909 N -3.19 1.62 -1.40 4.77 2.02 -1.03 -1.22 118.70 120.26 1nvu s GLU 909 Ca 0.05 1.52 -0.04 0.00 0.02 0.00 0.00 54.97 56.53 1nvu s GLU 909 Cb 0.13 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.59 1nvu s GLU 909 CO 0.73 -2.18 0.71 -3.47 0.02 0.00 0.00 175.26 171.07 1nvu n ASP 910 N -3.64 -1.90 -3.54 -0.19 -0.08 -1.26 -2.23 116.55 103.71 1nvu n ASP 910 Ca 0.12 -0.86 -0.19 0.00 -1.51 0.00 0.00 54.79 52.35 1nvu n ASP 910 Cb 0.52 -3.75 0.07 0.00 2.34 0.00 0.00 41.12 40.30 1nvu n ASP 910 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1nvu n HIS 911 N -4.40 -2.10 -1.83 -0.67 8.25 -1.22 -2.77 115.22 110.48 1nvu n HIS 911 Ca -0.21 0.90 -0.19 0.00 -0.26 0.00 0.00 57.72 57.96 1nvu n HIS 911 Cb 0.64 -4.81 -0.06 0.00 1.12 0.00 0.00 29.99 26.87 1nvu n HIS 911 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nvu n TYR 912 N -4.21 -0.30 -0.07 4.41 4.01 -0.36 -4.90 117.16 115.74 1nvu n TYR 912 Ca -0.29 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.38 1nvu n TYR 912 Cb 0.67 -3.44 -0.01 0.00 -0.31 0.00 0.00 39.34 36.25 1nvu n TYR 912 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1nvu h LYS 913 N 0.00 -0.20 -0.09 -0.72 3.64 -1.40 -0.22 116.57 117.58 1nvu h LYS 913 Ca -0.42 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.85 1nvu h LYS 913 Cb 1.29 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1nvu h LYS 913 CO 0.57 -0.13 -0.50 0.87 -2.27 0.00 0.00 179.45 177.99 1nvu h LYS 914 N -0.21 0.24 -0.28 1.90 1.57 -1.79 -2.50 116.57 115.50 1nvu h LYS 914 Ca 0.16 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nvu h LYS 914 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1nvu h LYS 914 CO -0.42 0.68 0.13 -0.92 -0.57 0.00 0.00 179.45 178.35 1nvu h TYR 915 N 0.19 0.41 -0.90 -1.35 3.20 -0.75 0.62 116.97 118.38 1nvu h TYR 915 Ca 0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1nvu h TYR 915 Cb 0.95 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1nvu h TYR 915 CO 0.02 0.38 0.55 -0.07 -1.64 0.00 0.00 178.16 177.40 1nvu h LEU 916 N 0.31 1.07 -0.40 2.82 3.38 -0.96 0.12 115.31 121.66 1nvu h LEU 916 Ca 0.09 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1nvu h LEU 916 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1nvu h LEU 916 CO -0.01 0.82 -0.15 0.00 0.09 0.00 0.00 178.44 179.19 1nvu h ALA 917 N 1.30 0.56 -0.34 1.53 0.00 -1.22 -2.44 119.26 118.65 1nvu h ALA 917 Ca 0.32 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nvu h ALA 917 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nvu h ALA 917 CO -0.06 0.48 -0.03 -0.22 0.00 0.00 0.00 179.25 179.42 1nvu h LYS 918 N 0.62 0.61 -0.87 0.00 3.64 -0.30 -2.66 116.57 117.61 1nvu h LYS 918 Ca 0.09 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1nvu h LYS 918 Cb 0.70 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 1nvu h LYS 918 CO 0.05 0.75 0.55 1.25 -2.27 0.00 0.00 179.45 179.78 1nvu h LEU 919 N 0.41 0.88 -0.65 5.20 5.85 -0.77 -1.22 115.31 125.01 1nvu h LEU 919 Ca 0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1nvu h LEU 919 Cb 0.49 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1nvu h LEU 919 CO 0.02 0.58 0.00 0.54 -0.34 0.00 0.00 178.44 179.24 1nvu n ARG 920 N -4.58 0.20 -0.01 1.25 1.74 -0.92 -3.50 116.66 110.84 1nvu n ARG 920 Ca 0.12 0.41 0.08 0.00 -0.77 0.00 0.00 57.85 57.68 1nvu n ARG 920 Cb 0.14 -1.87 -0.11 0.00 -1.02 0.00 0.00 32.46 29.61 1nvu n ARG 920 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1nvu n SER 921 N -2.24 1.30 -4.60 0.55 3.41 -0.52 -5.03 113.62 106.49 1nvu n SER 921 Ca 0.02 -0.19 -0.29 0.00 -0.26 0.00 0.00 58.87 58.16 1nvu n SER 921 Cb 0.24 1.55 0.14 0.00 -0.26 0.00 0.00 64.21 65.89 1nvu n SER 921 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1nvu s ILE 922 N -2.93 1.97 -0.35 -1.33 -5.25 -0.85 -5.03 121.20 107.42 1nvu s ILE 922 Ca -0.03 0.00 -0.10 0.00 -0.99 0.00 0.00 60.65 59.53 1nvu s ILE 922 Cb 0.10 -2.86 0.02 0.00 2.95 0.00 0.00 42.46 42.67 1nvu s ILE 922 CO 0.64 0.00 0.18 0.21 -1.79 0.00 0.00 174.94 174.18 1nvu s ASN 923 N -4.36 5.65 1.13 4.36 2.47 -1.26 -5.07 114.94 117.86 1nvu s ASN 923 Ca 0.66 -0.86 -0.14 0.00 0.42 0.00 0.00 52.86 52.94 1nvu s ASN 923 Cb -0.11 -2.01 0.21 0.00 -1.45 0.00 0.00 41.25 37.90 1nvu s ASN 923 CO 0.52 -0.32 0.69 -2.65 -3.72 0.00 0.00 177.10 171.62 1nvu n PRO 924 N 4.98 -1.96 -1.77 0.43 -0.02 -1.26 -4.78 135.00 130.61 1nvu n PRO 924 Ca -0.12 -0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 60.46 1nvu n PRO 924 Cb 0.47 -2.02 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1nvu n PRO 924 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nvu s PRO 925 N -4.08 2.66 0.20 0.52 0.04 -1.26 -5.10 135.00 127.97 1nvu s PRO 925 Ca 0.64 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 1nvu s PRO 925 Cb -0.21 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1nvu s PRO 925 CO 0.65 -1.42 0.42 0.00 0.04 0.00 0.00 177.00 176.69 1nvu s VAL 927 N -3.96 1.67 0.88 0.00 1.01 -0.51 -4.95 120.40 114.55 1nvu s VAL 927 Ca 0.16 -1.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.13 1nvu s VAL 927 Cb 0.01 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.27 1nvu s VAL 927 CO 0.02 -0.60 1.09 -2.84 0.00 0.00 0.00 175.10 172.77 1nvu s PRO 928 N 1.22 1.38 -0.27 2.72 0.02 -1.26 -0.53 135.00 138.27 1nvu s PRO 928 Ca 0.10 1.01 -0.22 0.00 0.02 0.00 0.00 61.00 61.91 1nvu s PRO 928 Cb -0.18 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 1nvu s PRO 928 CO -0.15 -2.21 0.70 0.12 -0.33 0.00 0.00 177.00 175.13 1nvu s PHE 929 N -2.86 3.25 0.22 6.54 5.36 -1.26 -4.11 117.98 125.12 1nvu s PHE 929 Ca 0.63 0.82 0.16 0.00 -0.96 0.00 0.00 56.93 57.58 1nvu s PHE 929 Cb -0.19 -2.99 0.58 0.00 -0.34 0.00 0.00 43.02 40.08 1nvu s PHE 929 CO 0.57 -0.42 1.70 0.35 -1.46 0.00 0.00 175.22 175.96 1nvu h PHE 930 N 7.97 0.00 -0.76 10.12 3.04 -1.98 -3.33 116.94 132.00 1nvu h PHE 930 Ca -0.26 0.00 0.18 0.00 3.98 0.00 0.00 57.97 61.87 1nvu h PHE 930 Cb 1.11 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 39.50 1nvu h PHE 930 CO 0.76 0.45 0.13 0.78 -2.02 0.00 0.00 178.31 178.41 1nvu h GLY 931 N 1.93 1.02 0.43 2.40 0.00 -2.00 -1.22 103.07 105.62 1nvu h GLY 931 Ca -0.00 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.42 1nvu h GLY 931 CO 0.06 -0.26 0.16 -2.22 0.00 0.00 0.00 176.54 174.28 1nvu h ILE 932 N 0.20 0.77 -0.69 2.60 1.08 -2.01 -1.97 117.51 117.50 1nvu h ILE 932 Ca 0.44 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.78 1nvu h ILE 932 Cb 0.78 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1nvu h ILE 932 CO -0.58 0.06 0.39 1.88 -0.69 0.00 0.00 178.15 179.20 1nvu h TYR 933 N 0.32 0.93 -0.47 1.37 0.05 -1.46 -1.88 116.97 115.84 1nvu h TYR 933 Ca 0.26 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 1nvu h TYR 933 Cb 0.32 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1nvu h TYR 933 CO -0.19 0.65 0.25 -0.07 -1.05 0.00 0.00 178.16 177.76 1nvu h LEU 934 N 0.94 0.59 -0.59 3.88 3.38 -1.00 0.05 115.31 122.56 1nvu h LEU 934 Ca 0.24 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1nvu h LEU 934 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1nvu h LEU 934 CO -0.04 0.52 0.11 0.74 0.09 0.00 0.00 178.44 179.86 1nvu h THR 935 N 0.62 1.26 -0.35 0.22 2.02 -1.21 -1.03 112.91 114.43 1nvu h THR 935 Ca 0.17 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 1nvu h THR 935 Cb 0.06 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1nvu h THR 935 CO -0.03 0.36 -0.27 0.78 0.37 0.00 0.00 175.52 176.73 1nvu h ASN 936 N 0.88 0.74 -0.24 4.18 2.35 -1.02 -1.16 115.58 121.31 1nvu h ASN 936 Ca 0.18 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1nvu h ASN 936 Cb 0.40 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1nvu h ASN 936 CO 0.01 0.97 -0.14 0.40 -1.65 0.00 0.00 177.43 177.02 1nvu h ILE 937 N 0.62 1.31 -0.66 2.81 2.04 -0.84 -1.56 117.51 121.22 1nvu h ILE 937 Ca 0.08 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1nvu h ILE 937 Cb 0.77 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1nvu h ILE 937 CO 0.06 0.39 0.44 0.25 0.00 0.00 0.00 178.15 179.29 1nvu h LEU 938 N 0.23 0.75 -0.72 1.44 5.85 -1.05 -1.57 115.31 120.24 1nvu h LEU 938 Ca 0.05 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 1nvu h LEU 938 Cb 0.66 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1nvu h LEU 938 CO 0.04 0.54 -0.47 0.11 -0.34 0.00 0.00 178.44 178.32 1nvu h LYS 939 N 0.89 0.41 -0.61 1.25 1.57 -1.18 -0.59 116.57 118.30 1nvu h LYS 939 Ca 0.25 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1nvu h LYS 939 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1nvu h LYS 939 CO -0.06 0.79 0.03 1.15 -0.57 0.00 0.00 179.45 180.79 1nvu h THR 940 N 0.33 1.26 -0.01 -0.16 2.02 -0.96 0.87 112.91 116.26 1nvu h THR 940 Ca 0.02 -1.10 -0.19 0.00 0.77 0.00 0.00 66.41 65.91 1nvu h THR 940 Cb 0.95 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1nvu h THR 940 CO 0.08 0.40 -0.82 -0.33 0.37 0.00 0.00 175.52 175.22 1nvu h GLU 941 N 0.96 0.18 0.00 6.66 5.08 -1.05 -3.16 114.58 123.26 1nvu h GLU 941 Ca 0.18 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nvu h GLU 941 Cb 0.51 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nvu h GLU 941 CO 0.02 0.90 -0.60 0.93 -1.00 0.00 0.00 179.01 179.27 1nvu h GLU 942 N 0.11 0.00 -0.70 2.33 5.08 -0.97 -3.35 114.58 117.07 1nvu h GLU 942 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nvu h GLU 942 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1nvu h GLU 942 CO 0.12 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1nvu n GLY 943 N 1.15 2.48 2.95 -3.84 0.00 0.29 -4.92 105.19 103.30 1nvu n GLY 943 Ca 0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1nvu n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nvu s ASN 944 N -1.02 0.63 0.51 1.61 0.01 -1.19 -5.03 114.94 110.45 1nvu s ASN 944 Ca 0.47 -0.10 -0.18 0.00 -0.71 0.00 0.00 52.86 52.35 1nvu s ASN 944 Cb 0.25 -0.09 -0.07 0.00 0.41 0.00 0.00 41.25 41.75 1nvu s ASN 944 CO 0.33 0.06 1.02 -2.16 -1.51 0.00 0.00 177.10 174.83 1nvu s PRO 945 N -0.06 3.77 0.28 -0.60 0.04 -1.26 -4.89 135.00 132.27 1nvu s PRO 945 Ca 0.01 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.32 1nvu s PRO 945 Cb -0.03 -2.10 0.38 0.00 0.04 0.00 0.00 34.50 32.79 1nvu s PRO 945 CO -0.00 -0.43 1.63 0.93 0.04 0.00 0.00 177.00 179.17 1nvu h GLU 946 N 1.13 0.06 -4.77 4.56 4.39 -1.93 -3.43 114.58 114.59 1nvu h GLU 946 Ca -0.48 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 58.88 1nvu h GLU 946 Cb 1.20 0.01 -0.20 0.00 -0.10 0.00 0.00 28.75 29.66 1nvu h GLU 946 CO 0.59 0.62 -0.74 0.14 -1.16 0.00 0.00 179.01 178.47 1nvu s VAL 947 N -3.75 0.72 -0.07 3.13 -7.23 -1.26 -0.91 120.40 111.03 1nvu s VAL 947 Ca -0.02 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1nvu s VAL 947 Cb 0.13 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 1nvu s VAL 947 CO 0.77 -0.43 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.24 1nvu s LEU 948 N -1.89 2.80 -0.16 1.32 1.43 -0.12 -4.82 118.68 117.24 1nvu s LEU 948 Ca -0.04 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1nvu s LEU 948 Cb -0.07 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1nvu s LEU 948 CO 0.00 0.30 0.07 -0.54 0.23 0.00 0.00 176.35 176.41 1nvu s LYS 949 N -0.47 3.73 -0.08 1.70 1.02 -1.26 -0.59 119.74 123.79 1nvu s LYS 949 Ca 0.06 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 55.71 1nvu s LYS 949 Cb -0.12 -3.15 0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1nvu s LYS 949 CO 0.02 0.43 0.06 1.03 -0.92 0.00 0.00 175.35 175.97 1nvu s ARG 950 N -0.08 0.08 -1.41 1.68 1.81 -0.14 -4.86 118.95 116.03 1nvu s ARG 950 Ca 0.07 0.22 -0.05 0.00 -1.72 0.00 0.00 55.73 54.25 1nvu s ARG 950 Cb -0.12 -0.90 0.03 0.00 -0.45 0.00 0.00 34.95 33.51 1nvu s ARG 950 CO 0.01 -0.41 0.72 0.72 -0.68 0.00 0.00 175.30 175.67 1nvu n HIS 951 N 5.26 -1.96 -0.32 -0.53 8.25 -1.26 -0.89 115.22 123.78 1nvu n HIS 951 Ca -0.05 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 1nvu n HIS 951 Cb 0.50 -4.08 0.00 0.00 1.12 0.00 0.00 29.99 27.53 1nvu n HIS 951 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nvu n GLY 952 N -1.68 1.99 3.83 -1.41 0.00 -1.26 -5.00 105.19 101.65 1nvu n GLY 952 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1nvu n GLY 952 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nvu s LYS 953 N -0.05 3.82 -0.62 1.61 -0.14 -0.07 -5.05 119.74 119.25 1nvu s LYS 953 Ca 0.00 0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.62 1nvu s LYS 953 Cb 0.00 -3.25 0.14 0.00 -1.68 0.00 0.00 37.83 33.04 1nvu s LYS 953 CO 0.00 0.64 0.63 -1.21 -0.76 0.00 0.00 175.35 174.65 1nvu s GLU 954 N -0.78 3.13 0.12 1.68 2.02 -1.26 -0.96 118.70 122.65 1nvu s GLU 954 Ca 0.20 -1.71 -0.17 0.00 0.02 0.00 0.00 54.97 53.30 1nvu s GLU 954 Cb -0.14 -4.33 -0.07 0.00 0.10 0.00 0.00 34.13 29.68 1nvu s GLU 954 CO 0.09 -1.41 0.58 -0.51 0.02 0.00 0.00 175.26 174.03 1nvu s LEU 955 N 1.76 4.43 0.17 1.80 1.43 0.24 -4.89 118.68 123.62 1nvu s LEU 955 Ca 0.09 1.21 -0.32 0.00 -1.03 0.00 0.00 54.13 54.09 1nvu s LEU 955 Cb -0.24 -3.13 -0.11 0.00 0.03 0.00 0.00 46.19 42.74 1nvu s LEU 955 CO 0.02 0.18 1.65 -0.63 0.23 0.00 0.00 176.35 177.79 1nvu s ILE 956 N -1.30 2.42 -0.90 -0.59 -1.09 0.40 -0.95 121.20 119.18 1nvu s ILE 956 Ca 0.34 0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 58.79 1nvu s ILE 956 Cb -0.17 -3.17 0.06 0.00 -1.58 0.00 0.00 42.46 37.60 1nvu s ILE 956 CO 0.19 0.02 1.32 0.21 -1.23 0.00 0.00 174.94 175.45 1nvu s ASN 957 N 1.34 6.40 0.33 3.58 2.47 -0.08 -2.05 114.94 126.93 1nvu s ASN 957 Ca 0.73 -1.25 0.17 0.00 0.42 0.00 0.00 52.86 52.93 1nvu s ASN 957 Cb -0.46 -2.53 0.38 0.00 -1.45 0.00 0.00 41.25 37.19 1nvu s ASN 957 CO 0.32 -1.52 1.59 0.15 -3.72 0.00 0.00 177.10 173.92 1nvu h PHE 958 N 9.69 0.00 -0.11 0.43 3.57 -1.56 -3.13 116.94 125.84 1nvu h PHE 958 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1nvu h PHE 958 Cb 1.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1nvu h PHE 958 CO 1.20 0.43 -0.06 0.66 -2.23 0.00 0.00 178.31 178.31 1nvu h SER 959 N 0.00 0.14 -0.45 0.41 4.64 -1.48 0.48 113.55 117.29 1nvu h SER 959 Ca -0.00 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1nvu h SER 959 Cb 1.15 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1nvu h SER 959 CO 0.06 0.22 0.09 0.50 -0.87 0.00 0.00 176.83 176.83 1nvu h LYS 960 N 0.15 0.73 -0.44 4.77 3.64 -1.83 -2.02 116.57 121.57 1nvu h LYS 960 Ca 0.04 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1nvu h LYS 960 Cb 0.21 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1nvu h LYS 960 CO 0.01 0.74 -0.17 0.00 -2.27 0.00 0.00 179.45 177.76 1nvu h ARG 961 N 0.60 0.84 -0.90 1.90 -0.00 -1.34 -2.63 114.38 112.86 1nvu h ARG 961 Ca 0.14 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.98 59.29 1nvu h ARG 961 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.23 1nvu h ARG 961 CO 0.01 0.94 0.53 -0.09 0.00 0.00 0.00 179.97 181.36 1nvu h ARG 962 N 0.74 1.23 -0.56 0.04 2.43 -0.78 -1.03 114.38 116.45 1nvu h ARG 962 Ca 0.11 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1nvu h ARG 962 Cb 0.68 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1nvu h ARG 962 CO 0.05 0.87 0.18 0.87 -1.51 0.00 0.00 179.97 180.43 1nvu h LYS 963 N 1.24 0.87 -0.47 0.20 1.57 -1.13 -0.94 116.57 117.91 1nvu h LYS 963 Ca 0.32 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1nvu h LYS 963 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1nvu h LYS 963 CO -0.06 0.79 -0.04 0.28 -0.57 0.00 0.00 179.45 179.85 1nvu h VAL 964 N 0.79 1.27 0.00 0.50 2.07 -1.11 -2.84 116.25 116.92 1nvu h VAL 964 Ca 0.18 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1nvu h VAL 964 Cb 0.28 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1nvu h VAL 964 CO -0.01 0.39 -0.03 0.00 0.02 0.00 0.00 177.57 177.94 1nvu h ALA 965 N 0.90 1.01 -0.22 1.67 0.00 -1.03 -0.58 119.26 121.02 1nvu h ALA 965 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1nvu h ALA 965 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nvu h ALA 965 CO 0.03 0.04 -0.64 1.49 0.00 0.00 0.00 179.25 180.18 1nvu h GLU 966 N 0.00 0.78 -0.07 0.00 4.81 -0.94 -0.52 114.58 118.63 1nvu h GLU 966 Ca -0.00 -0.54 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 1nvu h GLU 966 Cb 0.50 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1nvu h GLU 966 CO 0.00 1.17 -0.14 0.82 -0.73 0.00 0.00 179.01 180.13 1nvu h ILE 967 N 0.57 1.41 -0.15 2.32 2.04 -1.13 -1.87 117.51 120.71 1nvu h ILE 967 Ca -0.01 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.36 1nvu h ILE 967 Cb 1.24 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1nvu h ILE 967 CO 0.13 0.41 -0.06 0.71 0.00 0.00 0.00 178.15 179.33 1nvu h THR 968 N -0.27 1.14 -0.51 -0.27 1.35 -1.17 -1.84 112.91 111.33 1nvu h THR 968 Ca 0.00 -0.57 -0.08 0.00 -0.55 0.00 0.00 66.41 65.21 1nvu h THR 968 Cb 0.73 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1nvu h THR 968 CO 0.03 0.18 -0.00 1.23 -0.25 0.00 0.00 175.52 176.71 1nvu h GLY 969 N 0.59 0.98 1.06 5.82 0.00 -1.01 -0.84 103.07 109.66 1nvu h GLY 969 Ca 0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 1nvu h GLY 969 CO 0.01 0.66 0.14 -2.09 0.00 0.00 0.00 176.54 175.27 1nvu h GLU 970 N 0.77 1.10 -0.20 4.80 4.81 -0.77 -0.98 114.58 124.10 1nvu h GLU 970 Ca 0.14 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1nvu h GLU 970 Cb 0.52 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1nvu h GLU 970 CO 0.03 0.99 0.10 0.82 -0.73 0.00 0.00 179.01 180.21 1nvu h ILE 971 N 1.02 1.00 -0.47 2.32 2.04 -1.15 -2.84 117.51 119.43 1nvu h ILE 971 Ca 0.21 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 1nvu h ILE 971 Cb 0.40 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1nvu h ILE 971 CO 0.01 0.04 0.13 1.56 0.00 0.00 0.00 178.15 179.89 1nvu h GLN 972 N 0.22 0.70 -0.90 2.37 4.20 -0.79 -2.57 115.11 118.33 1nvu h GLN 972 Ca 0.08 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1nvu h GLN 972 Cb 0.02 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1nvu h GLN 972 CO -0.05 0.62 0.60 0.37 -0.67 0.00 0.00 178.83 179.70 1nvu h GLN 973 N 0.68 1.18 -0.00 1.46 -0.00 -0.96 -0.78 115.11 116.70 1nvu h GLN 973 Ca 0.16 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1nvu h GLN 973 Cb 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 27.48 27.44 1nvu h GLN 973 CO -0.01 0.78 -0.04 0.66 0.00 0.00 0.00 178.83 180.23 1nvu n TYR 974 N -4.40 0.00 1.21 3.99 4.01 -1.00 -3.13 117.16 117.84 1nvu n TYR 974 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.98 1nvu n TYR 974 Cb 0.02 -0.37 0.44 0.00 -0.31 0.00 0.00 39.34 39.12 1nvu n TYR 974 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1nvu n GLN 975 N -1.36 0.51 -0.01 -0.72 6.02 -0.31 -4.40 117.38 117.13 1nvu n GLN 975 Ca 0.11 -0.25 -0.17 0.00 -0.01 0.00 0.00 57.00 56.68 1nvu n GLN 975 Cb 0.29 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.94 1nvu n GLN 975 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1nvu h ASN 976 N 0.60 0.34 -3.15 1.08 2.35 -1.48 -3.46 115.58 111.87 1nvu h ASN 976 Ca 0.00 -0.83 -0.57 0.00 -0.55 0.00 0.00 56.30 54.35 1nvu h ASN 976 Cb 0.46 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 1nvu h ASN 976 CO 0.00 1.13 0.90 -1.10 -1.65 0.00 0.00 177.43 176.71 1nvu s GLN 977 N -2.92 4.07 0.35 0.81 1.11 -1.26 -5.04 119.66 116.77 1nvu s GLN 977 Ca -0.15 1.28 -0.12 0.00 0.01 0.00 0.00 55.36 56.38 1nvu s GLN 977 Cb 0.01 -3.78 -0.08 0.00 -1.01 0.00 0.00 33.01 28.15 1nvu s GLN 977 CO 0.78 -0.91 0.72 -1.25 0.01 0.00 0.00 175.29 174.64 1nvu s PRO 978 N 3.76 3.87 0.24 2.91 0.04 -1.26 -4.66 135.00 139.91 1nvu s PRO 978 Ca 0.51 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1nvu s PRO 978 Cb -0.16 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 1nvu s PRO 978 CO 0.17 0.09 1.07 0.71 0.04 0.00 0.00 177.00 179.08 1nvu s TYR 979 N -2.14 3.65 -1.17 0.56 2.02 -1.26 -4.76 117.35 114.25 1nvu s TYR 979 Ca 0.52 1.71 -0.09 0.00 -0.37 0.00 0.00 57.07 58.84 1nvu s TYR 979 Cb -0.10 -3.23 0.23 0.00 -0.40 0.00 0.00 41.96 38.46 1nvu s TYR 979 CO 0.24 -0.39 1.50 0.00 -1.57 0.00 0.00 175.55 175.33 1nvu s LEU 981 N -0.71 2.06 0.07 0.00 1.43 -1.26 -4.45 118.68 115.82 1nvu s LEU 981 Ca 0.36 -0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 53.09 1nvu s LEU 981 Cb 0.01 -0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.13 1nvu s LEU 981 CO 0.01 -0.05 0.73 -0.60 0.23 0.00 0.00 176.35 176.67 1nvu s ARG 982 N -0.36 4.47 0.35 1.70 3.52 -1.26 -5.04 118.95 122.32 1nvu s ARG 982 Ca -0.03 1.02 -0.26 0.00 -0.13 0.00 0.00 55.73 56.33 1nvu s ARG 982 Cb -0.03 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.95 1nvu s ARG 982 CO -0.00 0.40 1.03 0.08 -0.81 0.00 0.00 175.30 175.99 1nvu s VAL 983 N -0.44 3.80 -0.31 7.11 1.01 -1.26 -4.94 120.40 125.38 1nvu s VAL 983 Ca 0.36 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.89 1nvu s VAL 983 Cb -0.21 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.41 1nvu s VAL 983 CO 0.23 0.14 0.01 -0.70 0.00 0.00 0.00 175.10 174.77 1nvu s GLU 984 N -2.10 1.63 0.26 2.72 -6.30 -1.26 -5.03 118.70 108.63 1nvu s GLU 984 Ca 0.52 -1.63 -0.03 0.00 -2.50 0.00 0.00 54.97 51.33 1nvu s GLU 984 Cb -0.24 -3.00 0.54 0.00 0.00 0.00 0.00 34.13 31.44 1nvu s GLU 984 CO 0.30 -0.83 1.64 0.77 0.02 0.00 0.00 175.26 177.16 1nvu h SER 985 N 7.71 -0.23 -0.41 -1.70 0.02 -1.99 -0.85 113.55 116.10 1nvu h SER 985 Ca -0.09 0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1nvu h SER 985 Cb 1.03 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1nvu h SER 985 CO 0.49 -0.18 -0.24 0.44 -1.14 0.00 0.00 176.83 176.20 1nvu h ASP 986 N 0.14 0.92 -0.36 3.07 3.32 -1.99 -0.98 116.42 120.55 1nvu h ASP 986 Ca 0.47 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1nvu h ASP 986 Cb 0.88 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1nvu h ASP 986 CO -0.67 1.14 -0.13 0.40 -1.72 0.00 0.00 179.24 178.26 1nvu h ILE 987 N 0.71 1.28 -0.51 0.35 2.04 -1.87 -0.99 117.51 118.51 1nvu h ILE 987 Ca 0.09 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 64.78 1nvu h ILE 987 Cb 0.82 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1nvu h ILE 987 CO 0.07 0.40 0.22 0.50 0.00 0.00 0.00 178.15 179.35 1nvu h LYS 988 N 0.51 0.42 -0.56 2.37 3.64 -1.13 -1.89 116.57 119.93 1nvu h LYS 988 Ca 0.09 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1nvu h LYS 988 Cb 0.65 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1nvu h LYS 988 CO 0.04 0.28 0.34 -0.09 -2.27 0.00 0.00 179.45 177.75 1nvu h ARG 989 N 0.43 0.76 -0.48 1.90 2.43 -0.94 0.45 114.38 118.93 1nvu h ARG 989 Ca 0.24 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1nvu h ARG 989 Cb 0.21 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 1nvu h ARG 989 CO -0.21 0.54 0.10 0.35 -1.51 0.00 0.00 179.97 179.25 1nvu h PHE 990 N 0.75 0.17 0.00 2.20 3.57 -0.54 -1.33 116.94 121.76 1nvu h PHE 990 Ca 0.20 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 1nvu h PHE 990 Cb -0.02 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1nvu h PHE 990 CO -0.02 0.01 -0.64 0.74 -2.23 0.00 0.00 178.31 176.16 1nvu h PHE 991 N 0.24 0.00 -0.26 0.41 0.04 -0.88 -2.79 116.94 113.70 1nvu h PHE 991 Ca 0.24 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 1nvu h PHE 991 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1nvu h PHE 991 CO -0.22 0.64 -0.27 0.93 -0.60 0.00 0.00 178.31 178.80 1nvu h GLU 992 N 0.00 0.51 -0.20 1.51 5.08 -0.35 -3.07 114.58 118.06 1nvu h GLU 992 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1nvu h GLU 992 Cb 1.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1nvu h GLU 992 CO 0.08 0.73 0.00 0.09 -1.00 0.00 0.00 179.01 178.91 1nvu n ASN 993 N -4.11 2.17 -4.67 1.42 3.02 -0.55 -4.95 115.26 107.59 1nvu n ASN 993 Ca -0.00 -1.78 -0.46 0.00 -0.03 0.00 0.00 54.58 52.30 1nvu n ASN 993 Cb 0.42 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1nvu n ASN 993 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nvu n LEU 994 N 0.66 3.07 -3.23 3.41 4.77 -1.06 -4.94 117.00 119.67 1nvu n LEU 994 Ca 0.17 1.09 -0.22 0.00 -0.03 0.00 0.00 56.01 57.02 1nvu n LEU 994 Cb 0.41 -1.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.01 1nvu n LEU 994 CO 0.14 -0.31 -0.22 -3.20 -1.33 0.00 0.00 177.39 172.47 1nvu n ASN 995 N 3.35 -1.06 -0.36 -1.43 5.15 -1.26 -4.99 115.26 114.66 1nvu n ASN 995 Ca 0.17 -2.54 0.05 0.00 -0.60 0.00 0.00 54.58 51.66 1nvu n ASN 995 Cb 0.29 -0.05 0.22 0.00 -0.53 0.00 0.00 39.78 39.71 1nvu n ASN 995 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1nvu h PRO 996 N 5.28 1.03 0.00 1.20 0.11 -1.92 -2.49 132.00 135.21 1nvu h PRO 996 Ca 0.19 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1nvu h PRO 996 Cb 0.95 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1nvu h PRO 996 CO 0.31 0.68 0.00 0.52 -0.21 0.00 0.00 178.00 179.30 1nvu h MET 997 N 1.06 0.00 0.00 1.05 2.86 -1.94 -3.49 114.93 114.48 1nvu h MET 997 Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1nvu h MET 997 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1nvu h MET 997 CO -0.22 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.16 1nvu n GLY 998 N 0.54 3.25 1.16 8.32 0.00 -0.94 -1.60 105.19 115.93 1nvu n GLY 998 Ca 0.03 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1nvu n GLY 998 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nvu n ASN 999 N 3.03 3.42 -4.83 1.61 5.03 -1.26 -4.97 115.26 117.29 1nvu n ASN 999 Ca 0.00 -1.98 -0.33 0.00 0.87 0.00 0.00 54.58 53.15 1nvu n ASN 999 Cb 0.00 -0.35 -0.05 0.00 -1.02 0.00 0.00 39.78 38.36 1nvu n ASN 999 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1nvu s SER 1000N -1.24 6.78 0.62 6.41 0.01 -0.63 -5.05 113.70 120.61 1nvu s SER 1000Ca 0.42 1.64 -0.12 0.00 1.31 0.00 0.00 55.95 59.20 1nvu s SER 1000Cb 0.23 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1nvu s SER 1000CO 0.31 -0.47 1.03 -0.04 0.41 0.00 0.00 173.24 174.48 1nvu s MET 1001N -3.57 3.50 0.12 12.44 -1.94 -1.26 -4.87 119.30 123.72 1nvu s MET 1001Ca 0.61 0.84 -0.31 0.00 -1.71 0.00 0.00 55.69 55.12 1nvu s MET 1001Cb -0.10 -2.07 -0.09 0.00 2.01 0.00 0.00 34.83 34.59 1nvu s MET 1001CO 0.21 -0.65 1.57 1.49 -0.01 0.00 0.00 175.02 177.63 1nvu h GLU 1002N -0.20 -0.54 -0.42 2.03 4.81 -1.97 -1.64 114.58 116.67 1nvu h GLU 1002Ca -0.44 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1nvu h GLU 1002Cb 1.19 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.63 1nvu h GLU 1002CO 0.61 -0.36 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.30 1nvu h LYS 1003N -0.56 0.10 -0.80 1.92 3.64 -1.98 0.11 116.57 119.01 1nvu h LYS 1003Ca 0.05 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1nvu h LYS 1003Cb 0.66 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1nvu h LYS 1003CO -0.39 0.06 0.41 0.93 -2.27 0.00 0.00 179.45 178.19 1nvu h GLU 1004N 0.10 1.13 -0.30 1.90 3.07 -1.92 0.99 114.58 119.56 1nvu h GLU 1004Ca 0.21 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.84 1nvu h GLU 1004Cb 0.30 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1nvu h GLU 1004CO -0.35 0.86 -0.09 0.35 -1.40 0.00 0.00 179.01 178.38 1nvu h PHE 1005N 1.12 0.67 -0.72 4.33 3.57 -0.71 -0.29 116.94 124.90 1nvu h PHE 1005Ca 0.28 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1nvu h PHE 1005Cb 0.08 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1nvu h PHE 1005CO 0.01 0.79 0.31 1.15 -2.23 0.00 0.00 178.31 178.35 1nvu h THR 1006N 0.35 1.24 -0.15 4.41 2.02 -0.61 -0.56 112.91 119.61 1nvu h THR 1006Ca 0.07 -0.72 -0.16 0.00 0.77 0.00 0.00 66.41 66.37 1nvu h THR 1006Cb 0.59 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1nvu h THR 1006CO 0.03 0.30 -0.59 0.44 0.37 0.00 0.00 175.52 176.07 1nvu h ASP 1007N 1.04 0.55 -0.31 4.18 3.32 -0.67 -2.67 116.42 121.87 1nvu h ASP 1007Ca 0.25 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1nvu h ASP 1007Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1nvu h ASP 1007CO -0.03 1.02 0.19 0.22 -1.72 0.00 0.00 179.24 178.92 1nvu h TYR 1008N 0.37 0.40 -0.68 4.55 3.20 -0.26 -0.40 116.97 124.16 1nvu h TYR 1008Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1nvu h TYR 1008Cb 1.14 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 1nvu h TYR 1008CO 0.04 0.29 0.42 -0.07 -1.64 0.00 0.00 178.16 177.20 1nvu h LEU 1009N 0.40 0.69 -0.43 2.82 3.38 -1.05 0.52 115.31 121.64 1nvu h LEU 1009Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1nvu h LEU 1009Cb -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1nvu h LEU 1009CO -0.02 0.48 -0.05 0.15 0.09 0.00 0.00 178.44 179.09 1nvu h PHE 1010N 0.82 0.87 -0.37 1.13 3.57 -1.22 -1.36 116.94 120.39 1nvu h PHE 1010Ca 0.27 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1nvu h PHE 1010Cb 0.02 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1nvu h PHE 1010CO -0.05 0.87 0.07 -0.91 -2.23 0.00 0.00 178.31 176.06 1nvu h ASN 1011N 0.62 0.50 -0.59 0.41 2.35 -0.59 -1.17 115.58 117.11 1nvu h ASN 1011Ca 0.12 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1nvu h ASN 1011Cb 0.56 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1nvu h ASN 1011CO 0.03 0.52 0.13 0.11 -1.65 0.00 0.00 177.43 176.58 1nvu h LYS 1012N 0.53 0.99 -0.70 0.81 1.79 -0.50 -1.74 116.57 117.75 1nvu h LYS 1012Ca 0.12 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1nvu h LYS 1012Cb 0.24 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1nvu h LYS 1012CO -0.00 0.89 0.26 1.03 -1.08 0.00 0.00 179.45 180.55 1nvu h SER 1013N 0.94 0.98 -0.20 0.86 0.87 -0.13 -1.58 113.55 115.29 1nvu h SER 1013Ca 0.20 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1nvu h SER 1013Cb 0.36 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1nvu h SER 1013CO 0.00 0.90 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.97 1nvu h LEU 1014N 1.01 0.61 0.17 2.23 3.38 -0.91 -2.03 115.31 119.77 1nvu h LEU 1014Ca 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nvu h LEU 1014Cb 0.24 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nvu h LEU 1014CO -0.01 0.79 -0.08 -0.08 0.09 0.00 0.00 178.44 179.14 1nvu h GLU 1015N 0.56 -0.22 0.00 1.13 4.81 -0.95 -2.05 114.58 117.86 1nvu h GLU 1015Ca 0.09 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1nvu h GLU 1015Cb 0.60 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1nvu h GLU 1015CO 0.04 0.09 -0.37 -0.84 -0.73 0.00 0.00 179.01 177.21 1nvu h ILE 1016N -0.55 1.02 -2.11 2.32 3.07 -1.27 -3.38 117.51 116.61 1nvu h ILE 1016Ca -0.02 -1.37 -0.46 0.00 1.55 0.00 0.00 64.86 64.55 1nvu h ILE 1016Cb 0.42 1.80 -0.33 0.00 -0.27 0.00 0.00 36.82 38.43 1nvu h ILE 1016CO 0.04 0.36 -0.80 -1.61 -1.05 0.00 0.00 178.15 175.09 1nvu s GLU 1017N -3.87 0.76 0.68 0.16 2.02 -0.77 -4.70 118.70 112.98 1nvu s GLU 1017Ca -0.01 -1.40 -0.17 0.00 0.02 0.00 0.00 54.97 53.40 1nvu s GLU 1017Cb 0.13 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.35 1nvu s GLU 1017CO 0.69 -1.28 1.04 -2.30 0.02 0.00 0.00 175.26 173.43 1nvu n PRO 1018N 3.58 0.72 -2.03 0.39 -0.02 -0.77 -4.50 135.00 132.37 1nvu n PRO 1018Ca 0.19 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1nvu n PRO 1018Cb 0.46 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1nvu n PRO 1018CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nvu s ARG 1019N -3.21 3.29 0.59 -0.52 0.52 -1.26 -4.75 118.95 113.60 1nvu s ARG 1019Ca 0.76 1.93 -0.19 0.00 -0.52 0.00 0.00 55.73 57.71 1nvu s ARG 1019Cb -0.37 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1nvu s ARG 1019CO 0.47 -0.98 1.22 -0.80 0.02 0.00 0.00 175.30 175.23 1nvu s ASN 1020N -1.33 5.21 -0.13 0.23 0.01 -1.26 -1.01 114.94 116.67 1nvu s ASN 1020Ca 0.71 2.43 0.10 0.00 -0.71 0.00 0.00 52.86 55.38 1nvu s ASN 1020Cb -0.33 -2.60 0.51 0.00 0.41 0.00 0.00 41.25 39.24 1nvu s ASN 1020CO 0.38 -1.58 1.30 -0.81 -1.51 0.00 0.00 177.10 174.88 1nvu n PRO 1021N -1.51 3.26 -1.78 -0.60 -0.04 -1.26 -5.11 135.00 127.97 1nvu n PRO 1021Ca 0.13 -1.96 -0.41 0.00 -0.04 0.00 0.00 63.50 61.23 1nvu n PRO 1021Cb 0.49 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1nvu n PRO 1021CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nvu n LYS 1022N 0.48 2.69 -2.24 0.54 5.02 -0.18 -4.94 118.16 119.53 1nvu n LYS 1022Ca 0.17 0.94 -0.33 0.00 -2.02 0.00 0.00 58.31 57.08 1nvu n LYS 1022Cb 0.78 -2.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.10 1nvu n LYS 1022CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1nvu s PRO 1023N -2.12 3.58 -0.15 1.97 0.02 -1.26 -4.76 135.00 132.28 1nvu s PRO 1023Ca 0.53 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 1nvu s PRO 1023Cb -0.47 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 1nvu s PRO 1023CO 0.64 -0.59 1.14 -1.17 -0.33 0.00 0.00 177.00 176.69 1nvu s LEU 1024N -4.18 4.19 0.84 -5.54 2.96 -1.26 -4.74 118.68 110.94 1nvu s LEU 1024Ca 0.63 1.60 -0.10 0.00 -0.22 0.00 0.00 54.13 56.03 1nvu s LEU 1024Cb -0.14 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.14 1nvu s LEU 1024CO 0.32 -0.65 1.17 -2.16 -1.32 0.00 0.00 176.35 173.71 1nvu s PRO 1025N 2.91 1.36 0.14 0.98 0.04 -1.26 -5.09 135.00 134.08 1nvu s PRO 1025Ca 0.51 -0.44 0.07 0.00 0.04 0.00 0.00 61.00 61.18 1nvu s PRO 1025Cb -0.20 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1nvu s PRO 1025CO 0.14 -1.86 -0.02 1.03 0.04 0.00 0.00 177.00 176.33 1nvu s ARG 1026N -5.57 2.37 0.04 4.56 0.52 -1.26 -4.99 118.95 114.63 1nvu s ARG 1026Ca 0.68 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 1nvu s ARG 1026Cb -0.07 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1nvu s ARG 1026CO 0.49 0.48 -0.06 -0.06 0.02 0.00 0.00 175.30 176.17 1nvu s PHE 1027N -1.54 0.57 0.59 -0.53 0.40 -1.26 -5.05 117.98 111.16 1nvu s PHE 1027Ca 0.26 -0.54 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 1nvu s PHE 1027Cb -0.10 -0.35 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1nvu s PHE 1027CO 0.17 -0.12 1.06 -1.25 0.70 0.00 0.00 175.22 175.79 1nvu s PRO 1028N -1.71 3.32 0.70 0.24 0.04 -1.26 -4.49 135.00 131.84 1nvu s PRO 1028Ca -0.10 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 1nvu s PRO 1028Cb -0.09 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1nvu s PRO 1028CO -0.00 -0.82 1.11 0.15 0.04 0.00 0.00 177.00 177.48 1nvu s LYS 1029N -3.96 2.55 0.00 4.56 1.02 -1.26 -4.24 119.74 118.41 1nvu s LYS 1029Ca 0.65 1.36 0.00 0.00 0.02 0.00 0.00 55.97 58.00 1nvu s LYS 1029Cb -0.17 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1nvu s LYS 1029CO 0.35 -1.44 0.00 0.36 -0.92 0.00 0.00 175.35 173.70 1nvu n LYS 1030N -2.79 2.56 -3.54 1.68 2.85 -1.26 -5.03 118.16 112.63 1nvu n LYS 1030Ca 0.10 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.00 1nvu n LYS 1030Cb 0.52 -0.73 -0.07 0.00 -0.65 0.00 0.00 35.03 34.10 1nvu n LYS 1030CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1nvu s TYR 1031N -1.28 3.48 -2.37 5.58 2.02 -1.26 -4.97 117.35 118.54 1nvu s TYR 1031Ca 0.00 0.62 0.24 0.00 -0.37 0.00 0.00 57.07 57.56 1nvu s TYR 1031Cb 0.00 -2.34 0.19 0.00 -0.40 0.00 0.00 41.96 39.41 1nvu s TYR 1031CO 0.00 0.27 1.23 -1.13 -1.57 0.00 0.00 175.55 174.34 1nvu n SER 1032N 3.45 2.25 -4.79 2.29 3.41 -1.26 -4.95 113.62 114.03 1nvu n SER 1032Ca -0.12 -1.63 -0.22 0.00 -0.26 0.00 0.00 58.87 56.64 1nvu n SER 1032Cb 0.52 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 1nvu n SER 1032CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1nvu s TYR 1033N -2.29 2.90 0.34 7.33 -0.85 -1.26 -5.08 117.35 118.44 1nvu s TYR 1033Ca 0.23 -0.24 -0.29 0.00 -0.52 0.00 0.00 57.07 56.25 1nvu s TYR 1033Cb 0.19 -1.55 -0.11 0.00 0.38 0.00 0.00 41.96 40.88 1nvu s TYR 1033CO 0.46 0.39 1.49 -1.25 -1.52 0.00 0.00 175.55 175.12 1nvu s PRO 1034N -3.87 4.15 0.00 -3.49 0.04 -1.26 -4.92 135.00 125.66 1nvu s PRO 1034Ca 0.36 2.51 0.25 0.00 0.04 0.00 0.00 61.00 64.17 1nvu s PRO 1034Cb -0.06 -3.01 0.53 0.00 0.04 0.00 0.00 34.50 32.00 1nvu s PRO 1034CO 0.24 -0.51 1.43 1.28 0.04 0.00 0.00 177.00 179.48 1nvu n LEU 1035N 1.14 1.34 -4.72 -3.56 4.77 -1.26 -4.93 117.00 109.79 1nvu n LEU 1035Ca 0.03 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 1nvu n LEU 1035Cb 0.39 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1nvu n LEU 1035CO 0.63 0.25 1.21 -0.75 -1.33 0.00 0.00 177.39 177.39 1nvu s LYS 1036N -2.49 4.23 0.34 3.23 2.20 -1.26 -4.97 119.74 121.03 1nvu s LYS 1036Ca 0.23 2.32 -0.26 0.00 -0.36 0.00 0.00 55.97 57.90 1nvu s LYS 1036Cb 0.19 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1nvu s LYS 1036CO 0.53 -0.58 1.04 0.45 -0.36 0.00 0.00 175.35 176.43 1nvu s SER 1037N 1.13 7.05 0.00 1.43 0.15 -1.26 -4.92 113.70 117.28 1nvu s SER 1037Ca 0.69 2.06 0.28 0.00 0.70 0.00 0.00 55.95 59.69 1nvu s SER 1037Cb -0.43 -2.60 1.64 0.00 -1.71 0.00 0.00 66.02 62.93 1nvu s SER 1037CO 0.31 -0.28 2.01 -0.81 1.20 0.00 0.00 173.24 175.67 1nvu n PRO 1038N 0.48 0.82 0.00 5.44 -0.04 -1.26 -5.01 135.00 135.43 1nvu n PRO 1038Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1nvu n PRO 1038Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1nvu n PRO 1038CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvu n GLY 1039N 0.79 -0.63 0.49 0.55 0.00 -1.26 -4.78 105.19 100.35 1nvu n GLY 1039Ca 0.20 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.53 1nvu n GLY 1039CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nvu n VAL 1040N -0.67 0.87 -3.25 1.61 0.24 -1.26 -4.64 118.33 111.23 1nvu n VAL 1040Ca 0.00 -0.93 -0.39 0.00 -2.04 0.00 0.00 64.34 60.98 1nvu n VAL 1040Cb 0.00 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 1nvu n VAL 1040CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1nvu s ARG 1041N -0.97 4.26 0.54 7.34 1.81 -1.26 -4.96 118.95 125.72 1nvu s ARG 1041Ca 0.18 0.47 -0.20 0.00 -1.72 0.00 0.00 55.73 54.45 1nvu s ARG 1041Cb 0.09 -3.51 -0.05 0.00 -0.45 0.00 0.00 34.95 31.03 1nvu s ARG 1041CO 0.12 -0.02 1.16 -1.25 -0.68 0.00 0.00 175.30 174.63 1nvu s PRO 1042N 1.22 3.31 0.13 3.54 0.04 -1.26 -5.05 135.00 136.92 1nvu s PRO 1042Ca 0.26 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1nvu s PRO 1042Cb -0.15 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1nvu s PRO 1042CO 0.10 -0.91 0.22 -1.12 0.04 0.00 0.00 177.00 175.33 1nvu s SER 1043N -1.63 6.10 -0.34 6.66 0.01 -1.26 -5.10 113.70 118.14 1nvu s SER 1043Ca 0.73 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 58.09 1nvu s SER 1043Cb -0.27 -1.79 0.12 0.00 0.21 0.00 0.00 66.02 64.29 1nvu s SER 1043CO 0.30 0.09 0.16 0.21 0.41 0.00 0.00 173.24 174.42 1nvu s ASN 1044N -2.97 3.58 0.01 2.44 3.04 -1.26 -4.87 114.94 114.92 1nvu s ASN 1044Ca 0.33 -1.90 -0.07 0.00 0.04 0.00 0.00 52.86 51.26 1nvu s ASN 1044Cb -0.11 -0.67 -0.00 0.00 -1.54 0.00 0.00 41.25 38.92 1nvu s ASN 1044CO 0.27 -0.36 0.14 -2.16 -3.04 0.00 0.00 177.10 171.94 1nvu s PRO 1045N 1.33 0.51 0.00 0.43 0.05 -1.26 -5.21 135.00 130.85 1nvu s PRO 1045Ca 0.13 -0.47 0.00 0.00 0.05 0.00 0.00 61.00 60.72 1nvu s PRO 1045Cb -0.20 0.21 0.00 0.00 0.05 0.00 0.00 34.50 34.56 1nvu s PRO 1045CO -0.16 -0.13 0.00 2.89 0.05 0.00 0.00 177.00 179.66