#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ns1 n THR 572 N 0.00 0.23 -1.94 5.18 -2.24 -1.26 -4.96 114.28 109.28 3ns1 n THR 572 Ca 0.00 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 3ns1 n THR 572 Cb 0.00 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3ns1 n THR 572 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ns1 s VAL 573 N -0.96 3.47 0.00 2.28 1.01 -1.26 -1.12 120.40 123.81 3ns1 s VAL 573 Ca 0.16 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3ns1 s VAL 573 Cb 0.10 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3ns1 s VAL 573 CO 0.15 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3ns1 n GLY 574 N 4.28 0.47 3.81 4.51 0.00 -0.24 -5.01 105.19 113.01 3ns1 n GLY 574 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3ns1 n GLY 574 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ns1 s ARG 575 N -0.85 3.11 -0.95 1.61 0.52 -0.28 -4.59 118.95 117.53 3ns1 s ARG 575 Ca 0.00 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 3ns1 s ARG 575 Cb 0.00 -2.88 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 3ns1 s ARG 575 CO 0.00 0.63 2.12 -0.35 0.02 0.00 0.00 175.30 177.73 3ns1 n PRO 576 N 0.96 2.09 -2.32 3.54 -0.04 -1.26 -4.40 135.00 133.56 3ns1 n PRO 576 Ca -0.11 -1.63 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 3ns1 n PRO 576 Cb 0.52 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 3ns1 n PRO 576 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ns1 s LEU 577 N 0.41 4.27 0.70 1.53 2.96 -1.26 -4.86 118.68 122.44 3ns1 s LEU 577 Ca 0.45 1.94 -0.16 0.00 -0.22 0.00 0.00 54.13 56.14 3ns1 s LEU 577 Cb 0.12 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.28 3ns1 s LEU 577 CO -0.00 -0.71 1.26 -2.84 -1.32 0.00 0.00 176.35 172.73 3ns1 s PRO 578 N 2.79 2.23 0.21 0.98 0.02 -1.26 -4.79 135.00 135.17 3ns1 s PRO 578 Ca 0.60 1.93 -0.32 0.00 0.02 0.00 0.00 61.00 63.23 3ns1 s PRO 578 Cb -0.27 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 3ns1 s PRO 578 CO 0.23 -1.81 1.47 1.58 -0.33 0.00 0.00 177.00 178.13 3ns1 n HIS 579 N -2.42 2.19 0.32 6.54 -0.00 -1.26 -4.84 115.22 115.76 3ns1 n HIS 579 Ca 0.15 0.38 0.21 0.00 -0.00 0.00 0.00 57.72 58.45 3ns1 n HIS 579 Cb 0.49 -2.49 1.08 0.00 -0.00 0.00 0.00 29.99 29.07 3ns1 n HIS 579 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3ns1 h LEU 580 N 4.81 0.00 -1.81 0.27 3.38 -1.96 -1.11 115.31 118.89 3ns1 h LEU 580 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ns1 h LEU 580 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ns1 h LEU 580 CO 0.80 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.34 3ns1 n ALA 581 N -2.12 2.46 -0.17 1.53 0.00 -1.26 -4.69 120.51 116.26 3ns1 n ALA 581 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.71 3ns1 n ALA 581 Cb 0.12 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.00 3ns1 n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ns1 h ALA 582 N 3.73 0.60 -0.88 0.00 0.00 -1.55 -0.48 119.26 120.68 3ns1 h ALA 582 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ns1 h ALA 582 Cb 0.80 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3ns1 h ALA 582 CO 0.00 -0.32 0.58 0.00 0.00 0.00 0.00 179.25 179.51 3ns1 h ALA 583 N 1.44 1.44 0.00 0.00 0.00 -1.83 -0.90 119.26 119.40 3ns1 h ALA 583 Ca 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ns1 h ALA 583 Cb 0.40 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ns1 h ALA 583 CO -0.38 0.48 -0.55 0.52 0.00 0.00 0.00 179.25 179.32 3ns1 h MET 584 N 1.11 0.00 -0.32 0.00 2.86 -1.69 -2.37 114.93 114.52 3ns1 h MET 584 Ca 0.35 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.82 3ns1 h MET 584 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3ns1 h MET 584 CO -0.10 0.05 -0.45 1.96 1.06 0.00 0.00 176.91 179.43 3ns1 h GLN 585 N 0.00 0.84 0.00 1.72 4.20 -0.70 -0.37 115.11 120.81 3ns1 h GLN 585 Ca -0.01 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 3ns1 h GLN 585 Cb 1.06 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 3ns1 h GLN 585 CO 0.01 1.11 -0.09 0.00 -0.67 0.00 0.00 178.83 179.18 3ns1 h ALA 586 N 0.81 1.02 -0.01 3.87 0.00 -1.01 -3.08 119.26 120.87 3ns1 h ALA 586 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ns1 h ALA 586 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ns1 h ALA 586 CO 0.10 0.11 -0.70 -1.13 0.00 0.00 0.00 179.25 177.64 3ns1 n SER 587 N -3.22 1.58 -0.24 0.00 3.41 -0.91 -4.98 113.62 109.26 3ns1 n SER 587 Ca 0.00 -1.29 -0.03 0.00 -0.26 0.00 0.00 58.87 57.30 3ns1 n SER 587 Cb 0.36 0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 65.01 3ns1 n SER 587 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ns1 n GLY 588 N 1.45 0.49 0.03 5.00 0.00 -0.99 -4.93 105.19 106.24 3ns1 n GLY 588 Ca 0.07 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.25 3ns1 n GLY 588 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ns1 n GLU 589 N -2.41 0.67 -1.82 1.61 1.02 -0.25 -4.92 120.64 114.53 3ns1 n GLU 589 Ca -0.03 -0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 3ns1 n GLU 589 Cb 0.22 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 3ns1 n GLU 589 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ns1 s ALA 590 N -3.29 3.86 -0.30 0.62 0.00 -0.57 -4.97 121.76 117.09 3ns1 s ALA 590 Ca -0.08 1.49 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 3ns1 s ALA 590 Cb 0.12 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3ns1 s ALA 590 CO 0.89 -0.86 0.63 0.08 0.00 0.00 0.00 175.76 176.50 3ns1 s VAL 591 N 1.06 4.93 0.49 0.00 1.01 -1.26 -4.97 120.40 121.66 3ns1 s VAL 591 Ca 0.72 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.61 3ns1 s VAL 591 Cb -0.47 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 31.93 3ns1 s VAL 591 CO 0.33 -0.14 0.68 -0.31 0.00 0.00 0.00 175.10 175.66 3ns1 s TYR 592 N 2.62 2.74 0.16 5.22 1.51 -1.26 -4.72 117.35 123.62 3ns1 s TYR 592 Ca 0.25 -0.23 -0.18 0.00 -1.01 0.00 0.00 57.07 55.90 3ns1 s TYR 592 Cb -0.15 -2.56 0.09 0.00 -0.11 0.00 0.00 41.96 39.22 3ns1 s TYR 592 CO 0.12 -0.69 1.66 0.00 -1.11 0.00 0.00 175.55 175.52 3ns1 n ASP 594 N -5.33 0.00 0.06 0.00 2.03 -1.26 -2.54 116.55 109.50 3ns1 n ASP 594 Ca 0.02 -0.37 0.13 0.00 0.52 0.00 0.00 54.79 55.08 3ns1 n ASP 594 Cb 0.24 -0.13 0.30 0.00 -0.72 0.00 0.00 41.12 40.82 3ns1 n ASP 594 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3ns1 n ASP 595 N -1.13 0.61 -4.73 1.67 8.00 0.31 -4.86 116.55 116.43 3ns1 n ASP 595 Ca 0.13 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 3ns1 n ASP 595 Cb 0.11 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3ns1 n ASP 595 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ns1 s ILE 596 N -3.10 2.72 0.73 0.53 1.01 -1.05 -4.94 121.20 117.10 3ns1 s ILE 596 Ca 0.09 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 61.14 3ns1 s ILE 596 Cb 0.14 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 39.30 3ns1 s ILE 596 CO 0.66 0.06 1.24 -2.84 0.00 0.00 0.00 174.94 174.06 3ns1 s PRO 597 N 0.45 2.06 0.14 2.79 0.02 -1.26 -4.99 135.00 134.21 3ns1 s PRO 597 Ca 0.64 1.86 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 3ns1 s PRO 597 Cb -0.42 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 3ns1 s PRO 597 CO 0.36 -1.92 0.39 1.03 -0.33 0.00 0.00 177.00 176.53 3ns1 s ARG 598 N -3.83 3.63 0.70 5.54 3.00 -1.26 -5.08 118.95 121.66 3ns1 s ARG 598 Ca 0.77 -0.05 -0.14 0.00 0.00 0.00 0.00 55.73 56.30 3ns1 s ARG 598 Cb -0.32 -2.84 0.02 0.00 0.00 0.00 0.00 34.95 31.81 3ns1 s ARG 598 CO 0.46 0.46 1.13 0.71 0.00 0.00 0.00 175.30 178.06 3ns1 s TYR 599 N -1.65 2.47 0.47 -0.53 1.51 -1.26 -4.95 117.35 113.41 3ns1 s TYR 599 Ca 0.41 1.57 0.13 0.00 -1.01 0.00 0.00 57.07 58.17 3ns1 s TYR 599 Cb -0.12 -3.21 1.10 0.00 -0.11 0.00 0.00 41.96 39.61 3ns1 s TYR 599 CO 0.24 -1.92 2.09 1.05 -1.11 0.00 0.00 175.55 175.90 3ns1 h GLU 600 N -0.27 0.15 -0.62 -0.62 4.11 -2.01 -2.40 114.58 112.91 3ns1 h GLU 600 Ca -0.46 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 3ns1 h GLU 600 Cb 1.25 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ns1 h GLU 600 CO 0.52 0.14 0.01 0.27 0.07 0.00 0.00 179.01 180.02 3ns1 n ASN 601 N -4.48 5.41 -4.70 3.06 0.23 -1.26 -5.02 115.26 108.50 3ns1 n ASN 601 Ca -0.01 -2.88 -0.42 0.00 -0.53 0.00 0.00 54.58 50.74 3ns1 n ASN 601 Cb 0.11 -0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 37.11 3ns1 n ASN 601 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3ns1 s GLU 602 N -2.65 4.50 0.64 -3.83 2.12 -0.91 -4.46 118.70 114.10 3ns1 s GLU 602 Ca 0.51 1.43 0.06 0.00 0.36 0.00 0.00 54.97 57.33 3ns1 s GLU 602 Cb 0.39 -3.49 0.12 0.00 0.26 0.00 0.00 34.13 31.41 3ns1 s GLU 602 CO 0.15 -0.17 0.88 1.28 -0.54 0.00 0.00 175.26 176.85 3ns1 n LEU 603 N 4.36 0.00 -4.06 2.70 4.77 0.24 -4.94 117.00 120.07 3ns1 n LEU 603 Ca 0.07 -2.36 -0.15 0.00 -0.03 0.00 0.00 56.01 53.54 3ns1 n LEU 603 Cb 0.50 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 3ns1 n LEU 603 CO 0.52 -0.82 -0.41 -0.36 -1.33 0.00 0.00 177.39 174.99 3ns1 s PHE 604 N -2.79 0.74 0.02 -1.77 0.40 -0.53 -2.07 117.98 111.98 3ns1 s PHE 604 Ca 0.63 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.66 3ns1 s PHE 604 Cb -0.04 -0.44 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 3ns1 s PHE 604 CO 0.41 -0.04 -0.21 -1.17 0.70 0.00 0.00 175.22 174.91 3ns1 s LEU 605 N -1.18 2.12 -0.05 -0.37 0.20 -0.62 -1.41 118.68 117.39 3ns1 s LEU 605 Ca -0.05 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.30 3ns1 s LEU 605 Cb -0.08 -1.03 0.02 0.00 -0.43 0.00 0.00 46.19 44.68 3ns1 s LEU 605 CO 0.00 0.20 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.62 3ns1 s ARG 606 N -0.95 0.84 0.38 1.98 3.52 -0.34 -4.68 118.95 119.70 3ns1 s ARG 606 Ca 0.08 -0.10 -0.27 0.00 -0.13 0.00 0.00 55.73 55.31 3ns1 s ARG 606 Cb -0.09 -0.85 -0.09 0.00 -1.56 0.00 0.00 34.95 32.36 3ns1 s ARG 606 CO 0.01 -0.09 1.27 -0.51 -0.81 0.00 0.00 175.30 175.17 3ns1 s LEU 607 N 0.95 4.29 -0.15 -0.88 1.43 -1.26 -1.03 118.68 122.02 3ns1 s LEU 607 Ca -0.11 2.59 -0.04 0.00 -1.03 0.00 0.00 54.13 55.55 3ns1 s LEU 607 Cb -0.14 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 3ns1 s LEU 607 CO -0.00 -0.69 -0.04 -0.69 0.23 0.00 0.00 176.35 175.17 3ns1 s VAL 608 N -1.25 3.92 0.07 -1.59 1.01 0.28 -4.87 120.40 117.97 3ns1 s VAL 608 Ca 0.54 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3ns1 s VAL 608 Cb -0.37 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3ns1 s VAL 608 CO 0.48 0.50 -0.17 0.28 0.00 0.00 0.00 175.10 176.19 3ns1 s THR 609 N 0.26 1.37 0.41 3.92 -1.32 -1.26 -1.12 115.64 117.90 3ns1 s THR 609 Ca -0.03 -1.29 -0.26 0.00 -1.21 0.00 0.00 61.69 58.90 3ns1 s THR 609 Cb -0.14 -1.25 -0.09 0.00 -1.51 0.00 0.00 72.50 69.51 3ns1 s THR 609 CO 0.03 -0.06 1.38 -0.55 -2.21 0.00 0.00 174.62 173.21 3ns1 s SER 610 N -1.57 6.18 -0.02 8.08 0.15 0.12 -4.91 113.70 121.73 3ns1 s SER 610 Ca 0.03 2.83 0.16 0.00 0.70 0.00 0.00 55.95 59.66 3ns1 s SER 610 Cb -0.09 -2.65 0.47 0.00 -1.71 0.00 0.00 66.02 62.04 3ns1 s SER 610 CO 0.03 -0.96 1.39 0.35 1.20 0.00 0.00 173.24 175.25 3ns1 n THR 611 N 0.11 1.12 -4.39 6.45 -2.24 -1.26 -4.21 114.28 109.85 3ns1 n THR 611 Ca 0.03 -1.05 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 3ns1 n THR 611 Cb 0.42 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 3ns1 n THR 611 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ns1 s ARG 612 N -1.14 1.68 0.15 -0.78 1.81 -1.26 -4.93 118.95 114.48 3ns1 s ARG 612 Ca 0.36 -1.21 -0.17 0.00 -1.72 0.00 0.00 55.73 52.98 3ns1 s ARG 612 Cb 0.19 -2.04 0.01 0.00 -0.45 0.00 0.00 34.95 32.66 3ns1 s ARG 612 CO 0.23 0.48 1.79 0.00 -0.68 0.00 0.00 175.30 177.11 3ns1 h ALA 613 N 3.91 0.43 -1.88 2.13 0.00 -1.82 -3.07 119.26 118.95 3ns1 h ALA 613 Ca -0.50 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.47 3ns1 h ALA 613 Cb 1.17 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.65 3ns1 h ALA 613 CO 0.44 -0.15 -0.18 -1.58 0.00 0.00 0.00 179.25 177.77 3ns1 s HIS 614 N -6.16 -1.33 -0.06 0.00 5.65 -1.26 -1.50 115.29 110.63 3ns1 s HIS 614 Ca -0.13 2.13 -0.30 0.00 0.25 0.00 0.00 55.06 57.01 3ns1 s HIS 614 Cb 0.11 0.71 0.11 0.00 -1.18 0.00 0.00 32.58 32.33 3ns1 s HIS 614 CO 0.71 -0.69 0.97 0.00 -0.65 0.00 0.00 174.74 175.09 3ns1 s ALA 615 N 2.86 -1.89 0.14 1.58 0.00 -0.97 -0.44 121.76 123.04 3ns1 s ALA 615 Ca -0.01 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 3ns1 s ALA 615 Cb -0.13 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 3ns1 s ALA 615 CO -0.19 -0.64 0.91 0.15 0.00 0.00 0.00 175.76 175.99 3ns1 s LYS 616 N -2.81 4.70 -0.34 0.00 1.02 -0.50 -0.65 119.74 121.16 3ns1 s LYS 616 Ca 0.06 1.38 -0.23 0.00 0.02 0.00 0.00 55.97 57.19 3ns1 s LYS 616 Cb -0.01 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3ns1 s LYS 616 CO -0.07 0.35 0.78 0.42 -0.92 0.00 0.00 175.35 175.91 3ns1 s ILE 617 N -0.46 4.76 -0.22 2.17 1.01 0.26 -1.59 121.20 127.13 3ns1 s ILE 617 Ca 0.43 0.99 0.20 0.00 0.00 0.00 0.00 60.65 62.27 3ns1 s ILE 617 Cb -0.24 -4.18 -0.29 0.00 0.01 0.00 0.00 42.46 37.76 3ns1 s ILE 617 CO 0.29 -0.36 0.52 2.29 0.00 0.00 0.00 174.94 177.68 3ns1 n LYS 618 N 6.33 0.61 -3.55 2.79 2.85 0.03 -4.90 118.16 122.32 3ns1 n LYS 618 Ca 0.03 -0.14 -0.12 0.00 -1.05 0.00 0.00 58.31 57.03 3ns1 n LYS 618 Cb 0.48 -1.46 -0.05 0.00 -0.65 0.00 0.00 35.03 33.35 3ns1 n LYS 618 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3ns1 s SER 619 N -3.96 -0.45 -0.14 -5.58 1.04 -1.13 -4.95 113.70 98.53 3ns1 s SER 619 Ca -0.04 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 3ns1 s SER 619 Cb 0.13 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3ns1 s SER 619 CO 0.82 -0.44 -0.09 -0.63 0.98 0.00 0.00 173.24 173.88 3ns1 s ILE 620 N -1.33 1.21 -0.16 -1.02 1.01 -1.26 -1.56 121.20 118.09 3ns1 s ILE 620 Ca -0.04 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3ns1 s ILE 620 Cb -0.00 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.23 3ns1 s ILE 620 CO 0.03 0.32 -0.18 -0.62 0.00 0.00 0.00 174.94 174.49 3ns1 s ASP 621 N 1.62 3.40 -0.04 3.58 2.15 0.18 -4.99 116.67 122.58 3ns1 s ASP 621 Ca 0.04 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 52.53 3ns1 s ASP 621 Cb -0.13 -1.52 0.12 0.00 -0.30 0.00 0.00 42.92 41.09 3ns1 s ASP 621 CO -0.09 0.06 1.08 1.33 -0.17 0.00 0.00 175.17 177.38 3ns1 n VAL 622 N 4.23 1.24 -0.27 1.11 0.24 -1.26 -2.11 118.33 121.51 3ns1 n VAL 622 Ca -0.20 -1.31 -0.05 0.00 -2.04 0.00 0.00 64.34 60.74 3ns1 n VAL 622 Cb 0.51 0.31 0.06 0.00 -1.47 0.00 0.00 33.84 33.25 3ns1 n VAL 622 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3ns1 h SER 623 N 0.30 0.97 -0.47 -1.34 4.64 -1.94 -1.82 113.55 113.89 3ns1 h SER 623 Ca 0.00 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 3ns1 h SER 623 Cb 0.67 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3ns1 h SER 623 CO 0.01 0.81 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.30 3ns1 h GLU 624 N 1.05 0.94 -0.23 4.77 4.39 -1.85 -3.25 114.58 120.40 3ns1 h GLU 624 Ca 0.26 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3ns1 h GLU 624 Cb 0.08 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3ns1 h GLU 624 CO -0.04 1.04 -0.09 0.00 -1.16 0.00 0.00 179.01 178.76 3ns1 h ALA 625 N 0.87 1.42 0.00 3.43 0.00 -1.71 -1.69 119.26 121.58 3ns1 h ALA 625 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ns1 h ALA 625 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ns1 h ALA 625 CO 0.05 0.40 0.00 1.96 0.00 0.00 0.00 179.25 181.66 3ns1 h GLN 626 N 0.34 0.00 0.00 0.00 4.20 -1.37 -2.41 115.11 115.87 3ns1 h GLN 626 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3ns1 h GLN 626 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3ns1 h GLN 626 CO 0.02 0.00 -0.28 1.63 -0.67 0.00 0.00 178.83 179.53 3ns1 n LYS 627 N -2.69 0.13 -2.41 1.46 5.02 -0.64 -4.87 118.16 114.17 3ns1 n LYS 627 Ca -0.01 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 3ns1 n LYS 627 Cb 0.11 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 3ns1 n LYS 627 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ns1 s VAL 628 N -3.06 4.11 0.46 -0.18 1.01 -0.91 -4.98 120.40 116.86 3ns1 s VAL 628 Ca 0.11 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 3ns1 s VAL 628 Cb 0.16 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3ns1 s VAL 628 CO 0.63 0.03 1.06 -2.65 0.00 0.00 0.00 175.10 174.18 3ns1 n PRO 629 N 4.84 1.38 -0.37 2.72 -0.02 -1.26 -1.59 135.00 140.71 3ns1 n PRO 629 Ca 0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3ns1 n PRO 629 Cb 0.46 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3ns1 n PRO 629 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ns1 n GLY 630 N 1.12 2.25 3.68 -1.23 0.00 -1.26 -4.87 105.19 104.88 3ns1 n GLY 630 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 3ns1 n GLY 630 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ns1 n PHE 631 N -2.00 2.20 -0.03 1.61 7.35 -0.62 -1.91 117.46 124.06 3ns1 n PHE 631 Ca 0.00 0.44 -0.08 0.00 -0.76 0.00 0.00 57.45 57.05 3ns1 n PHE 631 Cb 0.00 -2.46 -0.03 0.00 0.35 0.00 0.00 39.48 37.34 3ns1 n PHE 631 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3ns1 n VAL 632 N 1.77 1.05 -3.53 -2.13 0.31 -0.21 -4.92 118.33 110.67 3ns1 n VAL 632 Ca 0.11 0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 3ns1 n VAL 632 Cb 0.32 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 3ns1 n VAL 632 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ns1 s PHE 634 N -2.80 3.54 -0.03 0.00 5.36 -1.26 -0.76 117.98 122.04 3ns1 s PHE 634 Ca 0.05 0.44 0.06 0.00 -0.96 0.00 0.00 56.93 56.52 3ns1 s PHE 634 Cb -0.01 -1.89 -0.01 0.00 -0.34 0.00 0.00 43.02 40.77 3ns1 s PHE 634 CO -0.07 0.69 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.66 3ns1 s LEU 635 N -1.30 2.02 0.00 6.12 1.43 0.14 -4.97 118.68 122.12 3ns1 s LEU 635 Ca 0.19 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3ns1 s LEU 635 Cb -0.12 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.01 3ns1 s LEU 635 CO 0.08 0.23 0.48 -1.54 0.23 0.00 0.00 176.35 175.84 3ns1 n SER 636 N 2.75 -1.32 -0.37 2.29 3.41 -1.26 -0.68 113.62 118.43 3ns1 n SER 636 Ca -0.16 -3.00 0.29 0.00 -0.26 0.00 0.00 58.87 55.73 3ns1 n SER 636 Cb 0.53 2.52 0.55 0.00 -0.26 0.00 0.00 64.21 67.54 3ns1 n SER 636 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ns1 h ALA 637 N 2.06 2.31 0.00 7.33 0.00 -1.82 0.04 119.26 129.18 3ns1 h ALA 637 Ca -0.28 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ns1 h ALA 637 Cb 1.23 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3ns1 h ALA 637 CO 0.38 -0.89 0.00 -0.44 0.00 0.00 0.00 179.25 178.30 3ns1 h ASP 638 N 0.24 0.00 0.76 0.00 3.32 -1.97 -2.95 116.42 115.83 3ns1 h ASP 638 Ca 0.74 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.79 3ns1 h ASP 638 Cb 1.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 3ns1 h ASP 638 CO -0.47 0.00 -0.15 0.47 -1.72 0.00 0.00 179.24 177.37 3ns1 n ASP 639 N -2.87 0.19 -4.66 6.45 8.00 0.00 -4.89 116.55 118.77 3ns1 n ASP 639 Ca -0.01 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.18 3ns1 n ASP 639 Cb 0.15 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 3ns1 n ASP 639 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ns1 s ILE 640 N -2.91 4.28 0.13 0.53 1.01 -1.12 -4.95 121.20 118.18 3ns1 s ILE 640 Ca 0.16 1.55 0.09 0.00 0.00 0.00 0.00 60.65 62.46 3ns1 s ILE 640 Cb 0.19 -4.00 -0.13 0.00 0.01 0.00 0.00 42.46 38.53 3ns1 s ILE 640 CO 0.56 -0.13 1.39 1.55 0.00 0.00 0.00 174.94 178.32 3ns1 h PRO 641 N 8.16 0.00 0.00 2.79 0.13 -1.85 -3.44 132.00 137.79 3ns1 h PRO 641 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ns1 h PRO 641 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ns1 h PRO 641 CO 0.97 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.98 3ns1 n GLY 642 N 1.03 -0.01 3.04 1.56 0.00 -0.35 -4.84 105.19 105.62 3ns1 n GLY 642 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3ns1 n GLY 642 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ns1 s SER 643 N -1.00 -0.07 -0.32 1.61 0.15 -0.91 -4.85 113.70 108.32 3ns1 s SER 643 Ca 0.00 0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.83 3ns1 s SER 643 Cb 0.00 0.25 0.65 0.00 -1.71 0.00 0.00 66.02 65.21 3ns1 s SER 643 CO 0.00 -0.17 1.70 -3.20 1.20 0.00 0.00 173.24 172.77 3ns1 n ASN 644 N 2.43 4.01 -4.42 5.45 5.15 -1.26 -4.37 115.26 122.24 3ns1 n ASN 644 Ca -0.16 -3.38 -0.33 0.00 -0.60 0.00 0.00 54.58 50.11 3ns1 n ASN 644 Cb 0.58 -0.71 -0.13 0.00 -0.53 0.00 0.00 39.78 38.98 3ns1 n ASN 644 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ns1 s GLU 645 N -3.08 3.50 0.10 1.20 2.12 -1.26 -3.57 118.70 117.71 3ns1 s GLU 645 Ca 0.51 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 3ns1 s GLU 645 Cb 0.43 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 32.07 3ns1 s GLU 645 CO 0.09 0.22 0.17 -2.37 -0.54 0.00 0.00 175.26 172.83 3ns1 n THR 646 N 3.55 0.00 0.00 -1.70 5.66 -0.16 -4.88 114.28 116.75 3ns1 n THR 646 Ca -0.18 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 3ns1 n THR 646 Cb 0.53 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 3ns1 n THR 646 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ns1 n GLY 647 N -0.14 0.94 0.35 1.09 0.00 -1.26 -1.72 105.19 104.45 3ns1 n GLY 647 Ca -0.01 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.20 3ns1 n GLY 647 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ns1 h LEU 648 N 0.00 0.88 -3.14 0.99 5.85 -1.98 -2.66 115.31 115.25 3ns1 h LEU 648 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ns1 h LEU 648 Cb 0.00 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3ns1 h LEU 648 CO 0.00 0.62 0.00 0.49 -0.34 0.00 0.00 178.44 179.21 3ns1 n PHE 649 N -4.43 0.62 -2.33 1.25 3.01 -1.26 -4.97 117.46 109.34 3ns1 n PHE 649 Ca 0.09 -0.85 -0.20 0.00 1.01 0.00 0.00 57.45 57.50 3ns1 n PHE 649 Cb 0.07 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.29 3ns1 n PHE 649 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3ns1 n ASN 650 N -0.63 -5.76 -1.30 4.37 3.02 -1.00 -4.90 115.26 109.07 3ns1 n ASN 650 Ca 0.18 0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.83 3ns1 n ASN 650 Cb 0.75 -4.80 0.31 0.00 -0.61 0.00 0.00 39.78 35.43 3ns1 n ASN 650 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ns1 n ASP 651 N -1.83 4.46 -4.37 6.41 5.68 -1.16 -4.64 116.55 121.09 3ns1 n ASP 651 Ca -0.24 -2.70 -0.22 0.00 -0.50 0.00 0.00 54.79 51.13 3ns1 n ASP 651 Cb 0.68 -0.55 -0.11 0.00 -1.14 0.00 0.00 41.12 40.01 3ns1 n ASP 651 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3ns1 s GLU 652 N -2.29 1.39 0.12 0.11 2.02 -0.70 -4.89 118.70 114.46 3ns1 s GLU 652 Ca 0.45 -1.53 0.04 0.00 0.02 0.00 0.00 54.97 53.95 3ns1 s GLU 652 Cb 0.33 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 3ns1 s GLU 652 CO 0.16 0.28 0.12 0.95 0.02 0.00 0.00 175.26 176.79 3ns1 s THR 653 N -2.28 4.61 -0.04 3.63 -4.23 -1.26 -0.99 115.64 115.08 3ns1 s THR 653 Ca 0.20 -0.88 -0.26 0.00 -1.18 0.00 0.00 61.69 59.57 3ns1 s THR 653 Cb -0.05 -3.29 -0.21 0.00 1.34 0.00 0.00 72.50 70.29 3ns1 s THR 653 CO 0.09 0.01 1.18 0.58 -0.54 0.00 0.00 174.62 175.93 3ns1 h VAL 654 N 2.26 1.46 -3.35 2.29 2.07 -1.91 -3.44 116.25 115.62 3ns1 h VAL 654 Ca -0.47 -1.42 -0.56 0.00 0.82 0.00 0.00 66.70 65.07 3ns1 h VAL 654 Cb 1.18 2.38 -0.34 0.00 -1.52 0.00 0.00 31.29 33.00 3ns1 h VAL 654 CO 0.65 0.37 -0.83 -0.36 0.02 0.00 0.00 177.57 177.43 3ns1 s PHE 655 N -3.85 1.78 0.33 1.57 2.99 -1.26 -4.79 117.98 114.74 3ns1 s PHE 655 Ca -0.16 -0.74 -0.29 0.00 0.00 0.00 0.00 56.93 55.74 3ns1 s PHE 655 Cb 0.01 -1.28 -0.11 0.00 0.00 0.00 0.00 43.02 41.64 3ns1 s PHE 655 CO 0.69 -0.37 1.48 0.00 -0.00 0.00 0.00 175.22 177.03 3ns1 s ALA 656 N 0.76 3.62 0.00 5.36 0.00 -0.59 -4.63 121.76 126.28 3ns1 s ALA 656 Ca -0.12 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3ns1 s ALA 656 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3ns1 s ALA 656 CO 0.02 -0.93 0.00 1.17 0.00 0.00 0.00 175.76 176.02 3ns1 n LYS 657 N 1.27 0.00 -0.02 0.00 4.81 -1.26 -4.73 118.16 118.23 3ns1 n LYS 657 Ca 0.04 0.14 0.02 0.00 -0.87 0.00 0.00 58.31 57.64 3ns1 n LYS 657 Cb 0.39 -0.55 -0.09 0.00 0.02 0.00 0.00 35.03 34.81 3ns1 n LYS 657 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ns1 n ASP 658 N -1.84 2.31 -3.85 3.14 8.00 -1.26 -4.86 116.55 118.20 3ns1 n ASP 658 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 3ns1 n ASP 658 Cb 0.00 1.28 -0.15 0.00 -0.02 0.00 0.00 41.12 42.23 3ns1 n ASP 658 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3ns1 s THR 659 N -2.63 0.15 0.00 -3.53 -1.32 -1.26 0.89 115.64 107.93 3ns1 s THR 659 Ca -0.05 0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 3ns1 s THR 659 Cb 0.06 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.81 3ns1 s THR 659 CO 0.47 0.10 0.17 0.68 -2.21 0.00 0.00 174.62 173.84 3ns1 s VAL 660 N 0.63 5.33 -0.01 5.08 -7.23 0.17 -4.91 120.40 119.46 3ns1 s VAL 660 Ca -0.06 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 3ns1 s VAL 660 Cb -0.09 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.38 3ns1 s VAL 660 CO -0.01 0.30 0.86 0.35 -0.31 0.00 0.00 175.10 176.29 3ns1 n THR 661 N 0.89 0.72 -3.65 5.32 -2.24 -1.26 -2.29 114.28 111.78 3ns1 n THR 661 Ca -0.10 -0.77 -0.03 0.00 -2.27 0.00 0.00 64.05 60.88 3ns1 n THR 661 Cb 0.52 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 3ns1 n THR 661 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ns1 h VAL 663 N 2.00 0.92 -0.57 0.00 2.07 -1.74 -2.33 116.25 116.60 3ns1 h VAL 663 Ca -0.24 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 66.94 3ns1 h VAL 663 Cb 1.22 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 31.28 3ns1 h VAL 663 CO 0.27 0.09 0.23 0.61 0.02 0.00 0.00 177.57 178.79 3ns1 n GLY 664 N -1.26 3.18 3.73 2.17 0.00 -1.26 -3.66 105.19 108.09 3ns1 n GLY 664 Ca 0.05 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3ns1 n GLY 664 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ns1 s HIS 665 N -2.35 2.89 -0.04 1.61 5.04 -0.88 -4.56 115.29 117.01 3ns1 s HIS 665 Ca 0.41 0.53 -0.28 0.00 -1.54 0.00 0.00 55.06 54.18 3ns1 s HIS 665 Cb 0.33 -4.07 -0.03 0.00 0.04 0.00 0.00 32.58 28.85 3ns1 s HIS 665 CO 0.10 -3.91 0.92 0.42 -2.34 0.00 0.00 174.74 169.93 3ns1 s ILE 666 N 0.80 4.89 -0.09 0.89 1.01 -1.26 0.10 121.20 127.55 3ns1 s ILE 666 Ca 0.70 1.90 0.07 0.00 0.00 0.00 0.00 60.65 63.32 3ns1 s ILE 666 Cb -0.48 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 37.64 3ns1 s ILE 666 CO 0.37 0.14 0.01 -0.38 0.00 0.00 0.00 174.94 175.08 3ns1 n ILE 667 N 4.05 0.62 -3.87 2.92 5.41 -0.27 -1.54 119.36 126.67 3ns1 n ILE 667 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.44 3ns1 n ILE 667 Cb 0.50 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 3ns1 n ILE 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ns1 n GLY 668 N 2.52 0.57 3.28 7.39 0.00 -1.10 -4.21 105.19 113.65 3ns1 n GLY 668 Ca -0.15 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3ns1 n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 s ALA 669 N -1.13 -0.93 -0.02 4.61 0.00 0.15 -0.56 121.76 123.87 3ns1 s ALA 669 Ca 0.04 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 3ns1 s ALA 669 Cb -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3ns1 s ALA 669 CO -0.00 -0.30 0.09 0.08 0.00 0.00 0.00 175.76 175.63 3ns1 s VAL 670 N -1.47 4.85 -0.09 0.00 1.01 -0.20 0.29 120.40 124.78 3ns1 s VAL 670 Ca -0.12 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3ns1 s VAL 670 Cb -0.04 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3ns1 s VAL 670 CO 0.04 0.40 -0.18 -0.69 0.00 0.00 0.00 175.10 174.67 3ns1 s VAL 671 N -1.17 1.61 0.18 2.92 1.01 0.06 -1.20 120.40 123.82 3ns1 s VAL 671 Ca 0.22 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3ns1 s VAL 671 Cb -0.12 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3ns1 s VAL 671 CO 0.12 0.46 0.20 0.00 0.00 0.00 0.00 175.10 175.88 3ns1 n ALA 672 N 3.80 0.16 1.03 5.51 0.00 -0.50 -1.05 120.51 129.46 3ns1 n ALA 672 Ca -0.20 -0.97 0.12 0.00 0.00 0.00 0.00 53.44 52.38 3ns1 n ALA 672 Cb 0.52 0.79 0.23 0.00 0.00 0.00 0.00 19.45 20.99 3ns1 n ALA 672 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ns1 n ASP 673 N -2.13 0.62 -3.99 0.00 3.85 -0.80 -1.45 116.55 112.65 3ns1 n ASP 673 Ca 0.03 -0.40 -0.08 0.00 -0.71 0.00 0.00 54.79 53.62 3ns1 n ASP 673 Cb 0.32 0.30 -0.10 0.00 -1.35 0.00 0.00 41.12 40.30 3ns1 n ASP 673 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3ns1 s THR 674 N -2.94 0.16 0.38 2.12 -4.23 -1.26 -4.80 115.64 105.08 3ns1 s THR 674 Ca 0.12 -1.33 0.11 0.00 -1.18 0.00 0.00 61.69 59.42 3ns1 s THR 674 Cb 0.18 -1.05 0.12 0.00 1.34 0.00 0.00 72.50 73.09 3ns1 s THR 674 CO 0.69 -0.73 1.87 1.55 -0.54 0.00 0.00 174.62 177.46 3ns1 h PRO 675 N 3.57 0.11 -0.22 3.99 0.13 -1.93 -1.14 132.00 136.51 3ns1 h PRO 675 Ca -0.33 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 3ns1 h PRO 675 Cb 1.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ns1 h PRO 675 CO 0.55 0.37 0.13 0.93 -0.23 0.00 0.00 178.00 179.75 3ns1 h GLU 676 N 0.10 0.26 -0.33 0.86 3.07 -1.99 -0.57 114.58 115.98 3ns1 h GLU 676 Ca 0.02 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3ns1 h GLU 676 Cb 0.52 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3ns1 h GLU 676 CO 0.04 0.17 -0.00 0.45 -1.40 0.00 0.00 179.01 178.27 3ns1 h HIS 677 N 0.27 0.53 -0.32 4.33 3.86 -1.86 -2.53 115.15 119.43 3ns1 h HIS 677 Ca 0.08 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3ns1 h HIS 677 Cb -0.01 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3ns1 h HIS 677 CO -0.07 0.52 0.04 0.00 0.86 0.00 0.00 177.93 179.27 3ns1 h ALA 678 N 1.52 0.43 -0.56 2.45 0.00 -0.70 -2.04 119.26 120.36 3ns1 h ALA 678 Ca 0.11 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ns1 h ALA 678 Cb 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ns1 h ALA 678 CO 0.01 0.14 0.28 1.49 0.00 0.00 0.00 179.25 181.17 3ns1 h GLU 679 N 0.36 0.51 -0.31 0.00 4.81 -0.98 -0.27 114.58 118.71 3ns1 h GLU 679 Ca 0.10 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 3ns1 h GLU 679 Cb 0.38 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ns1 h GLU 679 CO 0.01 0.34 -0.51 -0.09 -0.73 0.00 0.00 179.01 178.02 3ns1 h ARG 680 N 0.52 0.90 -0.22 1.92 2.43 -1.35 -1.24 114.38 117.34 3ns1 h ARG 680 Ca 0.25 -0.55 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 3ns1 h ARG 680 Cb 0.19 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3ns1 h ARG 680 CO -0.19 1.19 -0.43 0.00 -1.51 0.00 0.00 179.97 179.03 3ns1 h ALA 681 N 0.70 0.35 -0.38 2.80 0.00 -1.10 -3.21 119.26 118.41 3ns1 h ALA 681 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ns1 h ALA 681 Cb 1.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ns1 h ALA 681 CO 0.12 0.47 0.25 0.00 0.00 0.00 0.00 179.25 180.10 3ns1 h ALA 682 N 0.61 0.49 -0.03 0.00 0.00 -0.99 -2.31 119.26 117.02 3ns1 h ALA 682 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ns1 h ALA 682 Cb 1.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ns1 h ALA 682 CO 0.10 -0.05 0.08 1.25 0.00 0.00 0.00 179.25 180.62 3ns1 h HIS 683 N 0.52 0.00 -0.46 0.00 6.17 -1.26 -2.36 115.15 117.76 3ns1 h HIS 683 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.22 3ns1 h HIS 683 Cb -0.06 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.87 3ns1 h HIS 683 CO -0.05 0.00 0.00 0.28 0.71 0.00 0.00 177.93 178.87 3ns1 n VAL 684 N -3.38 0.64 -2.46 5.26 0.31 -0.88 -4.91 118.33 112.91 3ns1 n VAL 684 Ca -0.02 -0.82 -0.42 0.00 -0.01 0.00 0.00 64.34 63.07 3ns1 n VAL 684 Cb 0.16 0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 33.91 3ns1 n VAL 684 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ns1 s VAL 685 N -1.32 4.18 -0.24 2.52 1.01 -0.89 -4.41 120.40 121.25 3ns1 s VAL 685 Ca 0.40 1.55 -0.10 0.00 0.00 0.00 0.00 61.98 63.83 3ns1 s VAL 685 Cb 0.22 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3ns1 s VAL 685 CO 0.31 0.08 0.14 -0.54 0.00 0.00 0.00 175.10 175.09 3ns1 s LYS 686 N 1.45 3.98 -0.10 2.72 3.01 -0.89 -4.97 119.74 124.94 3ns1 s LYS 686 Ca 0.57 -0.32 0.00 0.00 -1.01 0.00 0.00 55.97 55.22 3ns1 s LYS 686 Cb -0.27 -3.49 -0.03 0.00 -1.01 0.00 0.00 37.83 33.03 3ns1 s LYS 686 CO 0.27 0.01 -0.09 0.08 0.51 0.00 0.00 175.35 176.13 3ns1 s VAL 687 N 1.17 3.47 -0.09 3.17 1.01 -1.26 -0.64 120.40 127.22 3ns1 s VAL 687 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3ns1 s VAL 687 Cb -0.14 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3ns1 s VAL 687 CO 0.05 0.56 -0.08 -0.89 0.00 0.00 0.00 175.10 174.74 3ns1 s THR 688 N -0.30 3.54 0.19 3.92 2.01 -0.60 -4.99 115.64 119.40 3ns1 s THR 688 Ca 0.04 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3ns1 s THR 688 Cb -0.13 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 3ns1 s THR 688 CO 0.03 0.57 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.10 3ns1 s TYR 689 N -0.47 1.53 -0.15 4.92 1.51 -1.26 -0.79 117.35 122.64 3ns1 s TYR 689 Ca 0.07 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.44 3ns1 s TYR 689 Cb -0.12 -0.75 0.04 0.00 -0.11 0.00 0.00 41.96 41.02 3ns1 s TYR 689 CO 0.02 0.22 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.66 3ns1 s GLU 690 N -3.70 1.12 0.45 -0.62 2.12 -0.62 -4.85 118.70 112.60 3ns1 s GLU 690 Ca 0.21 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 54.91 3ns1 s GLU 690 Cb 0.01 -1.83 -0.08 0.00 0.26 0.00 0.00 34.13 32.49 3ns1 s GLU 690 CO 0.05 -0.45 1.36 -0.51 -0.54 0.00 0.00 175.26 175.17 3ns1 s ASP 691 N 1.74 5.95 0.18 -1.70 1.01 -1.26 -1.41 116.67 121.19 3ns1 s ASP 691 Ca 0.01 2.77 0.10 0.00 0.71 0.00 0.00 52.55 56.15 3ns1 s ASP 691 Cb -0.15 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 3ns1 s ASP 691 CO -0.07 -1.11 -0.17 -0.76 0.21 0.00 0.00 175.17 173.27 3ns1 s LEU 692 N -2.76 2.70 0.41 1.23 1.43 0.41 -4.85 118.68 117.25 3ns1 s LEU 692 Ca 0.61 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.73 3ns1 s LEU 692 Cb -0.40 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 3ns1 s LEU 692 CO 0.51 0.11 1.46 -0.81 0.23 0.00 0.00 176.35 177.86 3ns1 n PRO 693 N 0.18 2.48 -4.66 1.29 -0.04 -1.26 -4.61 135.00 128.38 3ns1 n PRO 693 Ca -0.12 0.87 -0.29 0.00 -0.04 0.00 0.00 63.50 63.93 3ns1 n PRO 693 Cb 0.56 -2.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 3ns1 n PRO 693 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ns1 s ALA 694 N -1.15 2.21 -0.25 0.55 0.00 -1.26 -4.95 121.76 116.91 3ns1 s ALA 694 Ca 0.57 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 3ns1 s ALA 694 Cb -0.47 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3ns1 s ALA 694 CO 0.61 0.51 -0.02 0.42 0.00 0.00 0.00 175.76 177.28 3ns1 s ILE 695 N -0.91 3.33 -0.14 0.00 1.01 -1.26 -5.01 121.20 118.21 3ns1 s ILE 695 Ca 0.12 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3ns1 s ILE 695 Cb -0.10 -2.62 -0.06 0.00 0.01 0.00 0.00 42.46 39.68 3ns1 s ILE 695 CO 0.03 0.26 -0.16 -0.38 0.00 0.00 0.00 174.94 174.70 3ns1 n ILE 696 N 4.77 0.75 -3.14 2.92 -0.00 -1.26 -0.90 119.36 122.49 3ns1 n ILE 696 Ca -0.17 -0.21 -0.21 0.00 -0.00 0.00 0.00 62.75 62.16 3ns1 n ILE 696 Cb 0.49 -1.51 0.01 0.00 -0.00 0.00 0.00 39.64 38.62 3ns1 n ILE 696 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3ns1 s THR 697 N -2.25 3.94 0.21 1.39 -4.23 -1.26 -4.83 115.64 108.61 3ns1 s THR 697 Ca -0.19 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.54 3ns1 s THR 697 Cb 0.07 -3.42 0.16 0.00 1.34 0.00 0.00 72.50 70.64 3ns1 s THR 697 CO 0.25 -0.25 1.83 0.40 -0.54 0.00 0.00 174.62 176.32 3ns1 h ILE 698 N 0.56 1.23 -0.87 2.99 2.04 -1.97 -2.09 117.51 119.40 3ns1 h ILE 698 Ca -0.46 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3ns1 h ILE 698 Cb 1.26 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3ns1 h ILE 698 CO 0.55 0.25 0.54 -0.33 0.00 0.00 0.00 178.15 179.17 3ns1 h GLU 699 N 1.07 1.16 -0.66 2.37 3.07 -2.00 -1.13 114.58 118.46 3ns1 h GLU 699 Ca 0.27 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3ns1 h GLU 699 Cb 0.02 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.64 3ns1 h GLU 699 CO -0.05 0.79 0.44 -0.44 -1.40 0.00 0.00 179.01 178.36 3ns1 h ASP 700 N 1.18 0.75 -0.50 1.42 3.32 -1.87 -2.73 116.42 118.00 3ns1 h ASP 700 Ca 0.31 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3ns1 h ASP 700 Cb -0.09 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3ns1 h ASP 700 CO -0.06 0.54 0.20 0.00 -1.72 0.00 0.00 179.24 178.20 3ns1 h ALA 701 N 1.25 0.65 -0.83 3.45 0.00 -0.88 -1.96 119.26 120.94 3ns1 h ALA 701 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ns1 h ALA 701 Cb -0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3ns1 h ALA 701 CO -0.06 0.27 0.46 0.82 0.00 0.00 0.00 179.25 180.75 3ns1 h ILE 702 N 0.67 1.24 0.00 0.00 2.04 -1.14 0.21 117.51 120.53 3ns1 h ILE 702 Ca 0.17 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 3ns1 h ILE 702 Cb 0.20 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3ns1 h ILE 702 CO -0.01 0.27 -0.47 0.07 0.00 0.00 0.00 178.15 178.00 3ns1 h LYS 703 N 1.15 0.00 -0.01 2.37 2.10 -1.33 -2.50 116.57 118.34 3ns1 h LYS 703 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 3ns1 h LYS 703 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3ns1 h LYS 703 CO -0.05 0.47 -0.17 0.09 -2.00 0.00 0.00 179.45 177.80 3ns1 n ASN 704 N -3.22 1.66 -3.53 7.07 3.02 -0.75 -4.99 115.26 114.51 3ns1 n ASN 704 Ca 0.02 -1.37 -0.19 0.00 -0.03 0.00 0.00 54.58 53.01 3ns1 n ASN 704 Cb 0.72 0.12 0.07 0.00 -0.61 0.00 0.00 39.78 40.08 3ns1 n ASN 704 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ns1 n ASN 705 N 0.05 -2.30 -4.23 6.41 5.15 0.60 -4.98 115.26 115.96 3ns1 n ASN 705 Ca 0.14 -0.67 -0.42 0.00 -0.60 0.00 0.00 54.58 53.03 3ns1 n ASN 705 Cb 0.41 -4.80 -0.06 0.00 -0.53 0.00 0.00 39.78 34.80 3ns1 n ASN 705 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ns1 s SER 706 N -4.23 6.00 0.08 1.20 0.15 -0.38 -5.04 113.70 111.49 3ns1 s SER 706 Ca 0.08 -2.51 0.04 0.00 0.70 0.00 0.00 55.95 54.25 3ns1 s SER 706 Cb -0.04 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 3ns1 s SER 706 CO 0.75 -0.55 -0.10 -0.36 1.20 0.00 0.00 173.24 174.18 3ns1 s PHE 707 N 0.46 1.00 -0.20 3.44 0.40 -1.26 -0.15 117.98 121.66 3ns1 s PHE 707 Ca 0.14 -0.59 -0.17 0.00 -0.60 0.00 0.00 56.93 55.71 3ns1 s PHE 707 Cb -0.18 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 3ns1 s PHE 707 CO -0.05 -0.01 0.43 0.71 0.70 0.00 0.00 175.22 177.01 3ns1 s TYR 708 N -2.02 3.37 0.00 0.36 1.51 -0.69 -4.79 117.35 115.09 3ns1 s TYR 708 Ca 0.01 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 3ns1 s TYR 708 Cb -0.06 -2.57 0.00 0.00 -0.11 0.00 0.00 41.96 39.22 3ns1 s TYR 708 CO 0.00 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.81 3ns1 n GLY 709 N 3.92 -0.16 3.60 0.71 0.00 -1.26 -4.51 105.19 107.49 3ns1 n GLY 709 Ca -0.07 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 3ns1 n GLY 709 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ns1 s SER 710 N -4.00 4.13 0.02 1.61 1.04 -1.26 -4.93 113.70 110.31 3ns1 s SER 710 Ca 0.00 -0.93 -0.39 0.00 0.48 0.00 0.00 55.95 55.11 3ns1 s SER 710 Cb 0.00 -0.55 -0.19 0.00 0.10 0.00 0.00 66.02 65.37 3ns1 s SER 710 CO 0.00 -0.13 1.11 1.21 0.98 0.00 0.00 173.24 176.41 3ns1 n GLU 711 N -0.87 0.22 -3.79 4.02 2.13 -1.26 -4.96 120.64 116.13 3ns1 n GLU 711 Ca -0.05 0.08 -0.34 0.00 0.66 0.00 0.00 57.16 57.51 3ns1 n GLU 711 Cb 0.61 -1.60 -0.05 0.00 0.27 0.00 0.00 31.44 30.67 3ns1 n GLU 711 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ns1 s LEU 712 N 0.15 4.36 -0.04 4.31 1.43 -0.61 -4.95 118.68 123.33 3ns1 s LEU 712 Ca 0.89 0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 3ns1 s LEU 712 Cb -1.20 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 42.31 3ns1 s LEU 712 CO 0.55 0.24 0.20 -0.75 0.23 0.00 0.00 176.35 176.81 3ns1 s LYS 713 N -1.90 0.39 -0.05 1.70 2.20 -1.26 -1.55 119.74 119.28 3ns1 s LYS 713 Ca 0.29 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 3ns1 s LYS 713 Cb -0.13 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 3ns1 s LYS 713 CO 0.18 -0.08 -0.04 0.42 -0.36 0.00 0.00 175.35 175.47 3ns1 s ILE 714 N -0.63 0.52 -0.07 5.43 1.01 -0.64 -5.02 121.20 121.80 3ns1 s ILE 714 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3ns1 s ILE 714 Cb -0.04 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 41.92 3ns1 s ILE 714 CO 0.01 0.23 0.15 -0.70 0.00 0.00 0.00 174.94 174.63 3ns1 s GLU 715 N 0.99 0.08 0.00 2.79 2.12 -1.26 -1.60 118.70 121.82 3ns1 s GLU 715 Ca -0.10 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.67 3ns1 s GLU 715 Cb -0.14 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 3ns1 s GLU 715 CO -0.00 -0.19 -0.09 0.21 -0.54 0.00 0.00 175.26 174.65 3ns1 s LYS 716 N 1.38 0.67 3.02 4.30 2.20 -0.11 -5.01 119.74 126.18 3ns1 s LYS 716 Ca -0.07 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 3ns1 s LYS 716 Cb -0.12 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 3ns1 s LYS 716 CO -0.06 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 3ns1 n GLY 717 N 2.69 -0.19 3.00 5.54 0.00 -1.26 -1.08 105.19 113.89 3ns1 n GLY 717 Ca -0.14 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 3ns1 n GLY 717 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ns1 s ASP 718 N -4.00 3.95 -0.04 1.61 3.68 -1.26 -4.86 116.67 115.74 3ns1 s ASP 718 Ca 0.00 -1.18 -0.15 0.00 2.13 0.00 0.00 52.55 53.35 3ns1 s ASP 718 Cb 0.00 -1.33 -0.09 0.00 -1.45 0.00 0.00 42.92 40.05 3ns1 s ASP 718 CO 0.00 -0.20 0.62 -0.07 0.13 0.00 0.00 175.17 175.65 3ns1 h LEU 719 N 7.89 -0.37 -9.28 -1.34 3.38 -1.92 -2.53 115.31 111.14 3ns1 h LEU 719 Ca -0.21 -0.05 -0.67 0.00 0.09 0.00 0.00 57.88 57.04 3ns1 h LEU 719 Cb 1.07 0.10 0.06 0.00 0.09 0.00 0.00 40.66 41.98 3ns1 h LEU 719 CO 0.45 0.09 0.35 0.29 0.09 0.00 0.00 178.44 179.71 3ns1 n LYS 720 N -5.07 1.09 0.00 1.13 5.02 -1.26 -1.29 118.16 117.79 3ns1 n LYS 720 Ca -0.06 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3ns1 n LYS 720 Cb 0.21 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3ns1 n LYS 720 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ns1 n LYS 721 N 2.15 0.00 0.14 1.97 4.81 -1.26 -4.68 118.16 121.29 3ns1 n LYS 721 Ca 0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.47 3ns1 n LYS 721 Cb 0.21 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.19 3ns1 n LYS 721 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3ns1 h GLY 722 N 0.00 -0.76 1.20 3.14 0.00 -0.97 -1.96 103.07 103.73 3ns1 h GLY 722 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 3ns1 h GLY 722 CO 0.00 -0.27 0.22 0.74 0.00 0.00 0.00 176.54 177.23 3ns1 h PHE 723 N -0.64 1.03 0.00 5.60 -1.00 -1.46 -2.70 116.94 117.76 3ns1 h PHE 723 Ca 0.01 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3ns1 h PHE 723 Cb 0.64 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.90 3ns1 h PHE 723 CO -0.30 0.81 0.00 -1.13 -1.61 0.00 0.00 178.31 176.09 3ns1 n SER 724 N -4.28 0.57 -0.29 2.17 3.41 -1.09 -2.44 113.62 111.67 3ns1 n SER 724 Ca 0.05 0.62 0.05 0.00 -0.26 0.00 0.00 58.87 59.33 3ns1 n SER 724 Cb 0.21 -0.75 0.02 0.00 -0.26 0.00 0.00 64.21 63.43 3ns1 n SER 724 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3ns1 n GLU 725 N -2.11 1.45 -1.90 4.33 0.28 -0.76 -4.96 120.64 116.98 3ns1 n GLU 725 Ca 0.03 -0.78 -0.40 0.00 -0.16 0.00 0.00 57.16 55.85 3ns1 n GLU 725 Cb 0.26 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3ns1 n GLU 725 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ns1 s ALA 726 N -1.12 3.34 0.16 -1.84 0.00 -1.02 -4.96 121.76 116.31 3ns1 s ALA 726 Ca 0.09 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 3ns1 s ALA 726 Cb 0.08 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3ns1 s ALA 726 CO 0.19 -1.00 1.38 -0.44 0.00 0.00 0.00 175.76 175.89 3ns1 h ASP 727 N 2.68 0.50 -5.01 0.00 3.32 -1.70 -3.48 116.42 112.73 3ns1 h ASP 727 Ca -0.50 -0.36 -0.16 0.00 0.02 0.00 0.00 57.03 56.03 3ns1 h ASP 727 Cb 1.25 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 3ns1 h ASP 727 CO 0.63 1.12 -0.67 0.20 -1.72 0.00 0.00 179.24 178.80 3ns1 s ASN 728 N -7.01 0.24 0.04 6.45 0.01 -0.55 -5.00 114.94 109.12 3ns1 s ASN 728 Ca -0.06 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 3ns1 s ASN 728 Cb 0.10 0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.86 3ns1 s ASN 728 CO 0.85 -0.35 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.30 3ns1 s VAL 729 N -1.75 0.83 -0.04 1.60 1.01 -1.26 -1.21 120.40 119.59 3ns1 s VAL 729 Ca -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3ns1 s VAL 729 Cb -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3ns1 s VAL 729 CO -0.02 -0.12 0.11 -0.69 0.00 0.00 0.00 175.10 174.39 3ns1 s VAL 730 N -0.94 -0.01 0.15 2.92 1.01 -0.67 -5.00 120.40 117.87 3ns1 s VAL 730 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3ns1 s VAL 730 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3ns1 s VAL 730 CO 0.01 0.01 0.15 -0.94 0.00 0.00 0.00 175.10 174.34 3ns1 s SER 731 N 0.26 0.19 0.00 3.32 1.04 -1.26 -1.29 113.70 115.97 3ns1 s SER 731 Ca -0.02 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3ns1 s SER 731 Cb -0.03 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3ns1 s SER 731 CO -0.01 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3ns1 n GLY 732 N -0.16 -0.75 3.11 7.32 0.00 -0.77 -4.99 105.19 108.94 3ns1 n GLY 732 Ca -0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3ns1 n GLY 732 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ns1 s GLU 733 N -0.76 0.36 -0.07 1.61 2.12 -1.26 -2.15 118.70 118.55 3ns1 s GLU 733 Ca 0.00 0.04 -0.06 0.00 0.36 0.00 0.00 54.97 55.30 3ns1 s GLU 733 Cb 0.00 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.57 3ns1 s GLU 733 CO 0.00 -0.07 0.19 -1.17 -0.54 0.00 0.00 175.26 173.67 3ns1 s LEU 734 N -0.48 1.14 0.04 2.70 2.96 -0.62 -4.96 118.68 119.46 3ns1 s LEU 734 Ca -0.06 0.39 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 3ns1 s LEU 734 Cb -0.04 0.64 -0.03 0.00 0.50 0.00 0.00 46.19 47.26 3ns1 s LEU 734 CO 0.01 -0.08 -0.22 -0.47 -1.32 0.00 0.00 176.35 174.27 3ns1 s TYR 735 N 0.31 1.94 -0.11 5.38 5.04 -1.26 -0.52 117.35 128.13 3ns1 s TYR 735 Ca -0.02 -0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 54.22 3ns1 s TYR 735 Cb -0.03 -1.16 0.03 0.00 0.35 0.00 0.00 41.96 41.15 3ns1 s TYR 735 CO -0.01 0.10 -0.02 -1.50 -1.34 0.00 0.00 175.55 172.78 3ns1 s ILE 736 N -0.79 0.62 0.82 3.14 2.07 0.02 -2.24 121.20 124.84 3ns1 s ILE 736 Ca 0.09 -0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.07 3ns1 s ILE 736 Cb -0.09 -0.79 0.09 0.00 0.13 0.00 0.00 42.46 41.80 3ns1 s ILE 736 CO 0.02 0.22 1.17 -0.83 -1.91 0.00 0.00 174.94 173.60 3ns1 s GLY 737 N 1.86 1.97 0.00 1.50 0.00 -0.75 -1.47 107.32 110.43 3ns1 s GLY 737 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3ns1 s GLY 737 CO -0.07 1.08 0.00 0.61 0.00 0.00 0.00 173.10 174.73 3ns1 n GLY 738 N 0.12 -2.19 3.63 0.20 0.00 -1.26 -4.65 105.19 101.04 3ns1 n GLY 738 Ca 0.12 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3ns1 n GLY 738 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ns1 s GLN 739 N -0.85 0.71 -0.05 1.61 0.74 -1.26 -4.77 119.66 115.79 3ns1 s GLN 739 Ca 0.00 0.80 -0.11 0.00 0.05 0.00 0.00 55.36 56.10 3ns1 s GLN 739 Cb 0.00 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 3ns1 s GLN 739 CO 0.00 -0.09 0.29 0.34 -0.55 0.00 0.00 175.29 175.28 3ns1 s ASP 740 N 0.25 6.63 0.27 6.67 -1.08 -1.26 -0.82 116.67 127.32 3ns1 s ASP 740 Ca 0.01 0.75 -0.04 0.00 -0.52 0.00 0.00 52.55 52.75 3ns1 s ASP 740 Cb -0.05 -2.17 0.36 0.00 -1.46 0.00 0.00 42.92 39.60 3ns1 s ASP 740 CO -0.02 0.36 1.94 0.45 0.52 0.00 0.00 175.17 178.42 3ns1 h HIS 741 N 4.81 1.17 -7.02 -5.34 3.86 -1.96 -3.47 115.15 107.19 3ns1 h HIS 741 Ca -0.53 0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 58.11 3ns1 h HIS 741 Cb 1.22 -0.39 -0.29 0.00 1.06 0.00 0.00 27.41 29.01 3ns1 h HIS 741 CO 0.73 0.71 -0.90 0.34 0.86 0.00 0.00 177.93 179.68 3ns1 n PHE 742 N -4.41 -1.36 -1.70 2.45 7.35 -1.26 -4.92 117.46 113.60 3ns1 n PHE 742 Ca 0.12 0.71 -0.43 0.00 -0.76 0.00 0.00 57.45 57.08 3ns1 n PHE 742 Cb 0.05 -2.44 -0.02 0.00 0.35 0.00 0.00 39.48 37.42 3ns1 n PHE 742 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 3ns1 n TYR 743 N -4.26 2.48 -0.06 -5.13 0.18 -1.26 -4.88 117.16 104.22 3ns1 n TYR 743 Ca -0.00 0.34 0.05 0.00 1.88 0.00 0.00 57.90 60.17 3ns1 n TYR 743 Cb 0.52 -2.53 0.41 0.00 -0.38 0.00 0.00 39.34 37.36 3ns1 n TYR 743 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3ns1 h LEU 744 N 4.54 0.53 -9.13 -3.48 -0.00 -1.90 -3.37 115.31 102.50 3ns1 h LEU 744 Ca -0.46 -0.01 -0.60 0.00 -0.00 0.00 0.00 57.88 56.81 3ns1 h LEU 744 Cb 1.25 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 41.67 3ns1 h LEU 744 CO 0.78 0.37 -0.16 -0.70 -0.00 0.00 0.00 178.44 178.73 3ns1 s GLU 745 N -5.55 4.17 0.99 1.13 2.12 -0.92 -5.09 118.70 115.55 3ns1 s GLU 745 Ca -0.09 0.25 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 3ns1 s GLU 745 Cb 0.18 -3.55 0.19 0.00 0.26 0.00 0.00 34.13 31.21 3ns1 s GLU 745 CO 0.75 -0.08 1.18 0.95 -0.54 0.00 0.00 175.26 177.51 3ns1 s THR 746 N 1.43 1.91 0.61 -1.70 -4.23 -1.26 -4.81 115.64 107.59 3ns1 s THR 746 Ca 0.20 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.53 3ns1 s THR 746 Cb -0.15 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 3ns1 s THR 746 CO 0.08 0.00 0.85 1.41 -0.54 0.00 0.00 174.62 176.42 3ns1 n HIS 747 N -3.98 0.40 -3.49 3.99 -0.00 -1.26 -4.83 115.22 106.04 3ns1 n HIS 747 Ca 0.10 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.25 3ns1 n HIS 747 Cb 0.59 -2.08 -0.05 0.00 -0.00 0.00 0.00 29.99 28.45 3ns1 n HIS 747 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ns1 s THR 749 N 1.85 0.42 -0.05 0.00 2.01 -0.95 -1.87 115.64 117.06 3ns1 s THR 749 Ca -0.05 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.39 3ns1 s THR 749 Cb -0.04 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 3ns1 s THR 749 CO -0.16 -0.15 -0.24 -0.63 -0.69 0.00 0.00 174.62 172.76 3ns1 s ILE 750 N -0.74 1.95 -0.10 1.82 1.01 0.11 -1.95 121.20 123.30 3ns1 s ILE 750 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3ns1 s ILE 750 Cb -0.06 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3ns1 s ILE 750 CO 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 174.94 175.34 3ns1 s ALA 751 N -0.23 1.58 -0.29 9.38 0.00 -0.53 -1.00 121.76 130.66 3ns1 s ALA 751 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3ns1 s ALA 751 Cb -0.12 -0.76 0.08 0.00 0.00 0.00 0.00 23.12 22.31 3ns1 s ALA 751 CO 0.02 -0.02 -0.04 0.42 0.00 0.00 0.00 175.76 176.15 3ns1 s ILE 752 N 0.89 2.15 0.01 0.00 1.01 -0.05 -2.04 121.20 123.17 3ns1 s ILE 752 Ca -0.09 -1.91 -0.30 0.00 0.00 0.00 0.00 60.65 58.35 3ns1 s ILE 752 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3ns1 s ILE 752 CO 0.00 -0.29 0.99 -2.16 0.00 0.00 0.00 174.94 173.48 3ns1 s PRO 753 N 1.04 4.56 0.30 2.79 0.04 -1.26 -1.72 135.00 140.75 3ns1 s PRO 753 Ca -0.00 1.44 0.19 0.00 0.04 0.00 0.00 61.00 62.67 3ns1 s PRO 753 Cb -0.19 -3.45 0.13 0.00 0.04 0.00 0.00 34.50 31.02 3ns1 s PRO 753 CO -0.07 -0.05 1.36 0.87 0.04 0.00 0.00 177.00 179.16 3ns1 h LYS 754 N 6.74 0.00 0.00 4.56 1.79 -1.79 -3.47 116.57 124.40 3ns1 h LYS 754 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 3ns1 h LYS 754 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3ns1 h LYS 754 CO 0.75 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 179.74 3ns1 n GLY 755 N 1.19 0.85 3.22 3.86 0.00 -1.26 -5.04 105.19 108.02 3ns1 n GLY 755 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3ns1 n GLY 755 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ns1 s GLU 756 N -0.28 3.18 -1.94 1.61 2.02 -1.26 -4.86 118.70 117.16 3ns1 s GLU 756 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3ns1 s GLU 756 Cb 0.00 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.50 3ns1 s GLU 756 CO 0.00 -0.14 0.00 0.39 0.02 0.00 0.00 175.26 175.53 3ns1 n GLU 757 N 4.53 -1.51 -0.75 1.61 -0.58 -1.26 -0.84 120.64 121.83 3ns1 n GLU 757 Ca -0.20 1.09 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 3ns1 n GLU 757 Cb 0.51 -5.51 0.00 0.00 -0.57 0.00 0.00 31.44 25.87 3ns1 n GLU 757 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ns1 n GLY 758 N -0.50 1.44 3.59 0.62 0.00 -1.26 -4.99 105.19 104.08 3ns1 n GLY 758 Ca -0.20 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.34 3ns1 n GLY 758 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ns1 n GLU 759 N -2.00 1.26 -3.79 1.61 1.02 -0.02 -4.86 120.64 113.86 3ns1 n GLU 759 Ca 0.00 0.45 -0.13 0.00 -0.02 0.00 0.00 57.16 57.46 3ns1 n GLU 759 Cb 0.00 -1.95 -0.12 0.00 -0.02 0.00 0.00 31.44 29.36 3ns1 n GLU 759 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3ns1 s MET 760 N -0.48 0.27 -0.11 3.49 1.75 -0.96 -2.13 119.30 121.13 3ns1 s MET 760 Ca 0.71 0.34 0.03 0.00 -1.25 0.00 0.00 55.69 55.52 3ns1 s MET 760 Cb -0.82 0.12 -0.00 0.00 2.84 0.00 0.00 34.83 36.97 3ns1 s MET 760 CO 0.53 -0.04 -0.21 -2.00 -0.65 0.00 0.00 175.02 172.64 3ns1 s GLU 761 N 0.19 3.13 -0.03 4.11 2.12 -0.70 -1.41 118.70 126.11 3ns1 s GLU 761 Ca -0.01 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 54.55 3ns1 s GLU 761 Cb -0.02 -2.39 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 3ns1 s GLU 761 CO -0.00 0.17 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.18 3ns1 s LEU 762 N 0.39 2.01 -0.23 2.70 1.02 0.61 -0.87 118.68 124.30 3ns1 s LEU 762 Ca -0.16 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 53.55 3ns1 s LEU 762 Cb -0.17 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.96 3ns1 s LEU 762 CO 0.07 0.22 0.05 -0.36 0.02 0.00 0.00 176.35 176.35 3ns1 s PHE 763 N -0.29 3.08 -0.04 0.29 0.40 -0.17 -1.54 117.98 119.71 3ns1 s PHE 763 Ca 0.03 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.87 3ns1 s PHE 763 Cb -0.09 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.26 3ns1 s PHE 763 CO 0.01 -0.31 0.14 0.54 0.70 0.00 0.00 175.22 176.29 3ns1 s VAL 764 N 1.40 0.03 -1.05 -0.44 0.11 -1.09 0.09 120.40 119.44 3ns1 s VAL 764 Ca 0.05 -0.25 -0.18 0.00 -2.93 0.00 0.00 61.98 58.67 3ns1 s VAL 764 Cb -0.15 -0.29 0.12 0.00 -1.53 0.00 0.00 36.38 34.54 3ns1 s VAL 764 CO 0.03 -0.14 1.32 -0.55 -3.33 0.00 0.00 175.10 172.43 3ns1 s SER 765 N -0.43 6.74 0.02 3.54 0.15 -0.78 -4.58 113.70 118.36 3ns1 s SER 765 Ca -0.05 -2.23 -0.13 0.00 0.70 0.00 0.00 55.95 54.24 3ns1 s SER 765 Cb -0.03 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 3ns1 s SER 765 CO 0.01 -1.07 0.27 0.28 1.20 0.00 0.00 173.24 173.93 3ns1 s THR 766 N 2.95 0.08 -2.58 6.45 -1.32 -1.26 -4.67 115.64 115.30 3ns1 s THR 766 Ca 0.40 -0.65 0.27 0.00 -1.21 0.00 0.00 61.69 60.49 3ns1 s THR 766 Cb -0.03 -0.78 0.43 0.00 -1.51 0.00 0.00 72.50 70.61 3ns1 s THR 766 CO -0.05 -0.36 1.59 0.00 -2.21 0.00 0.00 174.62 173.59 3ns1 n GLN 767 N 0.91 1.78 -3.31 7.08 6.02 0.14 -4.67 117.38 125.33 3ns1 n GLN 767 Ca -0.20 -1.19 -0.25 0.00 -0.01 0.00 0.00 57.00 55.34 3ns1 n GLN 767 Cb 0.58 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 3ns1 n GLN 767 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3ns1 n ASN 768 N 0.43 0.63 -0.24 1.08 2.85 -1.25 -1.57 115.26 117.19 3ns1 n ASN 768 Ca 0.17 -2.74 -0.01 0.00 -0.11 0.00 0.00 54.58 51.90 3ns1 n ASN 768 Cb 0.42 -0.63 0.20 0.00 1.24 0.00 0.00 39.78 41.02 3ns1 n ASN 768 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ns1 h ALA 769 N 4.52 1.38 0.31 5.20 0.00 -1.91 -2.17 119.26 126.60 3ns1 h ALA 769 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ns1 h ALA 769 Cb 0.85 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ns1 h ALA 769 CO 0.50 0.54 -0.48 1.98 0.00 0.00 0.00 179.25 181.80 3ns1 h MET 770 N 1.08 -0.81 0.00 0.00 1.85 -1.92 -1.76 114.93 113.36 3ns1 h MET 770 Ca 0.28 0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.39 3ns1 h MET 770 Cb -0.07 0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 3ns1 h MET 770 CO -0.06 -0.54 -0.20 0.87 -0.40 0.00 0.00 176.91 176.58 3ns1 h LYS 771 N -0.84 0.00 -0.74 0.39 1.79 -1.85 -1.41 116.57 113.91 3ns1 h LYS 771 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3ns1 h LYS 771 Cb 0.79 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.40 3ns1 h LYS 771 CO -0.16 0.20 0.47 1.15 -1.08 0.00 0.00 179.45 180.04 3ns1 h THR 772 N 0.00 1.20 -0.24 -0.16 2.02 -1.15 -0.97 112.91 113.61 3ns1 h THR 772 Ca -0.00 -0.39 -0.17 0.00 0.77 0.00 0.00 66.41 66.62 3ns1 h THR 772 Cb 0.72 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3ns1 h THR 772 CO 0.03 0.20 -0.54 -0.61 0.37 0.00 0.00 175.52 174.96 3ns1 h GLN 773 N 1.01 0.72 -0.22 6.66 4.15 -0.38 -2.42 115.11 124.62 3ns1 h GLN 773 Ca 0.27 -0.45 -0.06 0.00 0.77 0.00 0.00 58.65 59.18 3ns1 h GLN 773 Cb -0.09 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3ns1 h GLN 773 CO -0.06 1.07 -0.11 0.77 -1.93 0.00 0.00 178.83 178.58 3ns1 h SER 774 N 0.55 0.47 0.08 -0.69 0.02 -1.25 -2.75 113.55 109.98 3ns1 h SER 774 Ca 0.01 -0.41 -0.13 0.00 -0.84 0.00 0.00 61.79 60.42 3ns1 h SER 774 Cb 1.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3ns1 h SER 774 CO 0.11 0.78 -0.46 -0.26 -1.14 0.00 0.00 176.83 175.86 3ns1 h PHE 775 N 0.17 0.55 -0.32 3.45 -1.00 -1.09 -0.38 116.94 118.31 3ns1 h PHE 775 Ca 0.05 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.60 3ns1 h PHE 775 Cb 0.60 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3ns1 h PHE 775 CO 0.06 0.83 -0.04 0.28 -1.61 0.00 0.00 178.31 177.83 3ns1 h VAL 776 N 0.37 1.27 -0.70 -0.55 2.07 -1.50 -1.91 116.25 115.30 3ns1 h VAL 776 Ca 0.02 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 3ns1 h VAL 776 Cb 0.95 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3ns1 h VAL 776 CO 0.08 0.34 0.21 0.00 0.02 0.00 0.00 177.57 178.22 3ns1 h ALA 777 N 0.82 0.91 -0.50 1.67 0.00 -1.16 0.53 119.26 121.52 3ns1 h ALA 777 Ca 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3ns1 h ALA 777 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ns1 h ALA 777 CO 0.03 0.60 0.18 -0.22 0.00 0.00 0.00 179.25 179.83 3ns1 h LYS 778 N 1.03 0.77 -0.15 0.00 3.64 -1.05 0.28 116.57 121.10 3ns1 h LYS 778 Ca 0.22 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3ns1 h LYS 778 Cb 0.32 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3ns1 h LYS 778 CO -0.01 0.71 -0.08 1.98 -2.27 0.00 0.00 179.45 179.78 3ns1 h MET 779 N 0.68 0.32 0.00 1.90 4.05 -0.74 -2.85 114.93 118.28 3ns1 h MET 779 Ca 0.17 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3ns1 h MET 779 Cb 0.24 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3ns1 h MET 779 CO -0.01 0.65 -0.02 -0.07 0.23 0.00 0.00 176.91 177.69 3ns1 h LEU 780 N -0.02 0.00 -1.85 3.39 3.38 -0.86 -0.80 115.31 118.55 3ns1 h LEU 780 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ns1 h LEU 780 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3ns1 h LEU 780 CO 0.02 0.02 -0.04 0.61 0.09 0.00 0.00 178.44 179.14 3ns1 n GLY 781 N -1.46 0.47 3.08 0.83 0.00 0.04 -3.63 105.19 104.52 3ns1 n GLY 781 Ca -0.03 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3ns1 n GLY 781 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ns1 s VAL 782 N -3.02 0.03 0.44 1.61 1.01 -0.88 -4.98 120.40 114.60 3ns1 s VAL 782 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 3ns1 s VAL 782 Cb -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 3ns1 s VAL 782 CO 0.04 -0.13 1.45 -2.84 0.00 0.00 0.00 175.10 173.61 3ns1 s PRO 783 N -0.44 3.76 0.58 2.72 0.02 -1.26 -4.52 135.00 135.86 3ns1 s PRO 783 Ca -0.05 2.47 0.30 0.00 0.02 0.00 0.00 61.00 63.74 3ns1 s PRO 783 Cb -0.04 -2.72 1.43 0.00 0.02 0.00 0.00 34.50 33.20 3ns1 s PRO 783 CO 0.01 -0.78 1.81 0.28 -0.33 0.00 0.00 177.00 177.99 3ns1 h VAL 784 N 2.44 0.36 0.00 3.83 2.07 -1.92 -1.31 116.25 121.72 3ns1 h VAL 784 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3ns1 h VAL 784 Cb 1.26 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3ns1 h VAL 784 CO 0.62 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.75 3ns1 n ASN 785 N -3.82 0.00 0.03 0.57 0.23 -1.26 -2.32 115.26 108.69 3ns1 n ASN 785 Ca 0.15 -0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.31 3ns1 n ASN 785 Cb 0.92 -0.27 0.16 0.00 -2.08 0.00 0.00 39.78 38.51 3ns1 n ASN 785 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3ns1 n ARG 786 N -1.27 0.19 -4.08 -3.83 5.12 -0.49 -4.88 116.66 107.42 3ns1 n ARG 786 Ca 0.09 0.04 -0.35 0.00 -1.93 0.00 0.00 57.85 55.70 3ns1 n ARG 786 Cb 0.14 -1.60 -0.12 0.00 -1.16 0.00 0.00 32.46 29.71 3ns1 n ARG 786 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ns1 s ILE 787 N -3.12 4.02 -0.20 0.55 -1.09 -0.98 -2.26 121.20 118.12 3ns1 s ILE 787 Ca 0.07 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.15 3ns1 s ILE 787 Cb 0.15 -2.81 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3ns1 s ILE 787 CO 0.73 0.43 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.64 3ns1 s LEU 788 N 0.94 3.13 -0.16 2.97 2.96 -0.50 -4.95 118.68 123.07 3ns1 s LEU 788 Ca 0.01 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3ns1 s LEU 788 Cb -0.14 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3ns1 s LEU 788 CO 0.02 0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.23 3ns1 s VAL 789 N 1.10 2.44 -0.02 1.68 1.01 -1.26 -0.28 120.40 125.07 3ns1 s VAL 789 Ca 0.02 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3ns1 s VAL 789 Cb -0.14 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3ns1 s VAL 789 CO 0.01 0.52 -0.19 -0.13 0.00 0.00 0.00 175.10 175.31 3ns1 s ARG 790 N 0.89 1.64 -0.16 2.72 0.52 -0.59 -2.13 118.95 121.84 3ns1 s ARG 790 Ca -0.04 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3ns1 s ARG 790 Cb -0.15 -1.53 0.07 0.00 0.52 0.00 0.00 34.95 33.86 3ns1 s ARG 790 CO -0.02 0.37 0.17 0.08 0.02 0.00 0.00 175.30 175.91 3ns1 s VAL 791 N -0.32 -0.24 -0.16 3.52 1.01 0.78 -2.67 120.40 122.32 3ns1 s VAL 791 Ca 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 3ns1 s VAL 791 Cb -0.09 -0.55 -0.23 0.00 0.00 0.00 0.00 36.38 35.51 3ns1 s VAL 791 CO 0.00 -0.14 0.40 0.50 0.00 0.00 0.00 175.10 175.86 3ns1 h LYS 792 N 8.36 0.10 -2.33 2.72 3.64 -1.84 0.11 116.57 127.32 3ns1 h LYS 792 Ca -0.15 -0.16 0.10 0.00 -1.27 0.00 0.00 60.65 59.16 3ns1 h LYS 792 Cb 1.14 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 32.87 3ns1 h LYS 792 CO 0.25 1.08 0.47 -0.98 -2.27 0.00 0.00 179.45 178.00 3ns1 s ARG 793 N -2.40 0.86 0.00 1.90 1.70 -1.26 -4.62 118.95 115.13 3ns1 s ARG 793 Ca -0.24 -0.31 0.06 0.00 -0.47 0.00 0.00 55.73 54.77 3ns1 s ARG 793 Cb 0.04 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 3ns1 s ARG 793 CO 0.67 -0.37 -0.19 -1.64 -1.08 0.00 0.00 175.30 172.68 3ns1 s MET 794 N -3.14 2.18 -1.45 3.89 -1.94 -0.25 -4.70 119.30 113.89 3ns1 s MET 794 Ca 0.04 -0.90 -0.09 0.00 -1.71 0.00 0.00 55.69 53.04 3ns1 s MET 794 Cb -0.01 -2.19 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 3ns1 s MET 794 CO -0.09 0.57 2.86 0.41 -0.01 0.00 0.00 175.02 178.75 3ns1 n GLY 795 N 1.96 4.42 0.00 -0.03 0.00 -1.26 -4.32 105.19 105.97 3ns1 n GLY 795 Ca -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3ns1 n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 796 N 3.03 1.32 2.00 -0.02 0.00 -1.21 -2.17 105.19 108.13 3ns1 n GLY 796 Ca 0.73 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3ns1 n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 797 N 1.43 -0.25 2.16 -0.02 0.00 -1.26 -4.86 105.19 102.40 3ns1 n GLY 797 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3ns1 n GLY 797 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ns1 n PHE 798 N -3.24 -0.25 0.00 1.61 3.01 -1.26 -1.38 117.46 115.95 3ns1 n PHE 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3ns1 n PHE 798 Cb 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 39.48 37.70 3ns1 n PHE 798 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ns1 n GLY 799 N 0.15 2.51 0.05 1.37 0.00 -1.26 -0.91 105.19 107.10 3ns1 n GLY 799 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3ns1 n GLY 799 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 800 N -1.37 -1.00 0.49 -0.02 0.00 -0.48 -2.91 105.19 99.90 3ns1 n GLY 800 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3ns1 n GLY 800 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ns1 n LYS 801 N -0.99 2.55 0.05 1.61 5.02 -1.25 -4.24 118.16 120.91 3ns1 n LYS 801 Ca 0.19 -2.37 -0.06 0.00 -2.02 0.00 0.00 58.31 54.06 3ns1 n LYS 801 Cb 0.19 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3ns1 n LYS 801 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3ns1 h GLU 802 N 1.14 0.00 0.00 1.97 4.81 -1.88 0.42 114.58 121.04 3ns1 h GLU 802 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ns1 h GLU 802 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3ns1 h GLU 802 CO 0.08 0.84 0.00 0.25 -0.73 0.00 0.00 179.01 179.45 3ns1 n THR 803 N -3.27 0.00 0.62 0.32 -2.24 -1.26 -4.49 114.28 103.97 3ns1 n THR 803 Ca -0.03 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 3ns1 n THR 803 Cb 0.94 -0.02 0.43 0.00 -2.10 0.00 0.00 70.33 69.58 3ns1 n THR 803 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ns1 n ARG 804 N -1.54 0.05 0.29 -0.78 5.12 -1.26 -2.25 116.66 116.30 3ns1 n ARG 804 Ca 0.00 0.21 0.18 0.00 -1.93 0.00 0.00 57.85 56.31 3ns1 n ARG 804 Cb 0.00 -1.58 0.88 0.00 -1.16 0.00 0.00 32.46 30.60 3ns1 n ARG 804 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3ns1 h SER 805 N 0.00 0.00 0.87 0.55 4.64 -1.83 -2.99 113.55 114.78 3ns1 h SER 805 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ns1 h SER 805 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ns1 h SER 805 CO 0.00 0.04 -0.09 0.71 -0.87 0.00 0.00 176.83 176.61 3ns1 h THR 806 N 0.00 0.26 -0.90 2.95 1.35 -1.84 -1.83 112.91 112.90 3ns1 h THR 806 Ca -0.00 -0.71 0.11 0.00 -0.55 0.00 0.00 66.41 65.27 3ns1 h THR 806 Cb 0.29 1.56 -0.08 0.00 -1.73 0.00 0.00 68.15 68.19 3ns1 h THR 806 CO 0.00 0.09 0.54 -0.07 -0.25 0.00 0.00 175.52 175.83 3ns1 h LEU 807 N 0.00 0.76 0.15 3.87 3.38 -1.77 -0.20 115.31 121.51 3ns1 h LEU 807 Ca -0.00 0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.67 3ns1 h LEU 807 Cb 0.55 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ns1 h LEU 807 CO 0.01 0.41 -1.82 0.58 0.09 0.00 0.00 178.44 177.72 3ns1 h VAL 808 N 0.86 0.84 -0.68 1.22 2.07 -1.70 -3.31 116.25 115.55 3ns1 h VAL 808 Ca 0.45 -2.49 0.06 0.00 0.82 0.00 0.00 66.70 65.54 3ns1 h VAL 808 Cb 0.46 2.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 3ns1 h VAL 808 CO -0.27 0.85 0.38 0.28 0.02 0.00 0.00 177.57 178.83 3ns1 h SER 809 N 0.09 0.56 0.46 0.57 0.02 -1.07 -1.88 113.55 112.29 3ns1 h SER 809 Ca -0.36 0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.32 3ns1 h SER 809 Cb 2.06 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 64.54 3ns1 h SER 809 CO 0.14 0.36 -1.39 0.58 -1.14 0.00 0.00 176.83 175.37 3ns1 h VAL 810 N 0.69 1.35 -0.15 2.27 2.07 -1.22 -1.24 116.25 120.02 3ns1 h VAL 810 Ca 0.31 -2.87 0.03 0.00 0.82 0.00 0.00 66.70 64.98 3ns1 h VAL 810 Cb 0.20 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 3ns1 h VAL 810 CO -0.19 0.85 -0.05 0.00 0.02 0.00 0.00 177.57 178.21 3ns1 h ALA 811 N 0.39 0.08 -0.48 1.67 0.00 -1.62 -2.14 119.26 117.17 3ns1 h ALA 811 Ca -0.20 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ns1 h ALA 811 Cb 2.06 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.96 3ns1 h ALA 811 CO 0.22 -0.49 0.20 0.28 0.00 0.00 0.00 179.25 179.46 3ns1 h VAL 812 N -0.02 1.21 -0.79 0.00 2.07 -1.24 -2.82 116.25 114.66 3ns1 h VAL 812 Ca 0.08 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.08 3ns1 h VAL 812 Cb 0.13 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 3ns1 h VAL 812 CO -0.17 0.24 0.41 0.00 0.02 0.00 0.00 177.57 178.07 3ns1 h ALA 813 N 1.04 1.14 -0.50 1.67 0.00 -0.97 -1.41 119.26 120.22 3ns1 h ALA 813 Ca 0.16 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3ns1 h ALA 813 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ns1 h ALA 813 CO -0.01 -0.03 0.03 1.25 0.00 0.00 0.00 179.25 180.49 3ns1 h LEU 814 N 0.66 0.79 -1.19 0.00 5.85 -1.15 -0.74 115.31 119.53 3ns1 h LEU 814 Ca 0.40 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3ns1 h LEU 814 Cb 0.47 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3ns1 h LEU 814 CO -0.30 0.84 0.08 0.00 -0.34 0.00 0.00 178.44 178.72 3ns1 h ALA 815 N 1.25 1.34 -0.12 1.25 0.00 -1.10 0.13 119.26 122.02 3ns1 h ALA 815 Ca 0.15 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3ns1 h ALA 815 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ns1 h ALA 815 CO 0.02 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 3ns1 h ALA 816 N 1.47 0.18 -0.04 0.00 0.00 -0.60 -0.68 119.26 119.58 3ns1 h ALA 816 Ca 0.14 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ns1 h ALA 816 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ns1 h ALA 816 CO 0.00 0.08 -0.21 -0.92 0.00 0.00 0.00 179.25 178.20 3ns1 h TYR 817 N -0.09 -0.55 -0.01 0.00 3.20 -0.96 0.50 116.97 119.06 3ns1 h TYR 817 Ca 0.01 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 3ns1 h TYR 817 Cb 0.71 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3ns1 h TYR 817 CO 0.09 -0.29 -0.79 -0.22 -1.64 0.00 0.00 178.16 175.32 3ns1 h LYS 818 N -0.31 0.14 0.00 1.82 3.11 -0.66 -3.25 116.57 117.42 3ns1 h LYS 818 Ca 0.07 -0.13 -0.10 0.00 -2.81 0.00 0.00 60.65 57.68 3ns1 h LYS 818 Cb 0.41 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 3ns1 h LYS 818 CO -0.22 0.85 -1.35 0.25 -2.81 0.00 0.00 179.45 176.17 3ns1 n THR 819 N -3.69 0.88 -0.99 1.00 -2.24 -0.27 -4.95 114.28 104.02 3ns1 n THR 819 Ca -0.02 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3ns1 n THR 819 Cb 0.75 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3ns1 n THR 819 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 820 N 1.32 0.50 3.77 3.38 0.00 0.16 -5.05 105.19 109.28 3ns1 n GLY 820 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3ns1 n GLY 820 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ns1 s HIS 821 N -2.12 3.01 0.46 1.61 3.76 -1.25 -4.92 115.29 115.84 3ns1 s HIS 821 Ca 0.00 -0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 54.53 3ns1 s HIS 821 Cb 0.00 -1.36 -0.08 0.00 1.11 0.00 0.00 32.58 32.25 3ns1 s HIS 821 CO 0.00 0.55 1.42 -2.14 -0.85 0.00 0.00 174.74 173.72 3ns1 s PRO 822 N -3.74 3.65 0.00 8.40 0.02 -1.26 -4.44 135.00 137.63 3ns1 s PRO 822 Ca 0.32 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3ns1 s PRO 822 Cb -0.08 -2.63 -0.00 0.00 0.02 0.00 0.00 34.50 31.81 3ns1 s PRO 822 CO 0.23 -0.84 -0.01 0.08 -0.33 0.00 0.00 177.00 176.13 3ns1 s VAL 823 N -1.21 0.08 0.19 3.83 1.01 -0.86 -0.59 120.40 122.84 3ns1 s VAL 823 Ca 0.62 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3ns1 s VAL 823 Cb -0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3ns1 s VAL 823 CO 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 175.10 175.57 3ns1 s ARG 824 N -0.31 1.17 -0.26 2.72 1.70 -0.88 -1.45 118.95 121.63 3ns1 s ARG 824 Ca -0.03 -1.57 -0.13 0.00 -0.47 0.00 0.00 55.73 53.53 3ns1 s ARG 824 Cb -0.02 -0.37 0.08 0.00 -0.57 0.00 0.00 34.95 34.07 3ns1 s ARG 824 CO -0.00 -0.11 0.62 0.00 -1.08 0.00 0.00 175.30 174.72 3ns1 s MET 826 N 1.82 3.24 0.50 0.00 0.00 -1.26 -2.23 119.30 121.37 3ns1 s MET 826 Ca -0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 55.69 54.65 3ns1 s MET 826 Cb -0.07 -2.64 -0.06 0.00 0.00 0.00 0.00 34.83 32.05 3ns1 s MET 826 CO -0.18 0.03 1.17 -0.51 0.00 0.00 0.00 175.02 175.53 3ns1 s LEU 827 N 0.79 3.89 0.59 4.11 1.43 -0.94 -5.02 118.68 123.52 3ns1 s LEU 827 Ca -0.05 2.30 -0.15 0.00 -1.03 0.00 0.00 54.13 55.20 3ns1 s LEU 827 Cb -0.15 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 3ns1 s LEU 827 CO 0.00 -1.11 1.03 -1.81 0.23 0.00 0.00 176.35 174.69 3ns1 s ASP 828 N -1.49 6.08 0.24 2.29 1.01 -1.26 -4.79 116.67 118.75 3ns1 s ASP 828 Ca 0.68 1.64 -0.06 0.00 0.71 0.00 0.00 52.55 55.53 3ns1 s ASP 828 Cb -0.28 -2.51 0.41 0.00 1.01 0.00 0.00 42.92 41.56 3ns1 s ASP 828 CO 0.33 -0.97 1.73 -0.09 0.21 0.00 0.00 175.17 176.38 3ns1 h ARG 829 N 0.32 0.40 -0.12 8.23 9.65 -1.97 -1.58 114.38 129.31 3ns1 h ARG 829 Ca -0.46 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.31 3ns1 h ARG 829 Cb 1.20 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 3ns1 h ARG 829 CO 0.59 0.26 -0.32 -2.95 2.80 0.00 0.00 179.97 180.36 3ns1 h ASN 830 N 0.41 0.24 -0.46 -3.80 -1.07 -1.95 -0.54 115.58 108.42 3ns1 h ASN 830 Ca 0.39 -0.08 -0.12 0.00 0.07 0.00 0.00 56.30 56.55 3ns1 h ASN 830 Cb 0.58 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 36.74 3ns1 h ASN 830 CO -0.40 0.56 -0.17 -0.33 0.07 0.00 0.00 177.43 177.17 3ns1 h GLU 831 N 0.21 0.95 -0.08 4.14 5.08 -1.68 -3.11 114.58 120.09 3ns1 h GLU 831 Ca 0.03 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3ns1 h GLU 831 Cb 0.68 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3ns1 h GLU 831 CO 0.05 1.04 -0.01 0.22 -1.00 0.00 0.00 179.01 179.31 3ns1 h ASP 832 N 0.83 0.15 0.22 1.42 3.58 -0.23 -1.93 116.42 120.47 3ns1 h ASP 832 Ca 0.12 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 3ns1 h ASP 832 Cb 0.72 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 3ns1 h ASP 832 CO 0.06 0.45 -0.08 0.24 -2.88 0.00 0.00 179.24 177.03 3ns1 h MET 833 N -0.15 0.00 0.00 0.28 2.86 -1.33 -2.55 114.93 114.04 3ns1 h MET 833 Ca 0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.46 3ns1 h MET 833 Cb 0.38 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3ns1 h MET 833 CO 0.01 0.08 -1.38 1.25 1.06 0.00 0.00 176.91 177.93 3ns1 h LEU 834 N 0.00 0.00 0.00 1.22 5.85 -1.41 -3.43 115.31 117.54 3ns1 h LEU 834 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 3ns1 h LEU 834 Cb 0.21 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3ns1 h LEU 834 CO 0.01 0.73 -2.03 -0.38 -0.34 0.00 0.00 178.44 176.43 3ns1 n ILE 835 N -3.01 1.04 1.23 4.05 5.41 -0.75 -4.23 119.36 123.09 3ns1 n ILE 835 Ca -0.10 -0.39 0.13 0.00 1.00 0.00 0.00 62.75 63.39 3ns1 n ILE 835 Cb 0.90 -1.17 0.30 0.00 -0.71 0.00 0.00 39.64 38.96 3ns1 n ILE 835 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3ns1 n THR 836 N -3.07 0.00 0.00 1.39 -2.24 -0.97 -4.75 114.28 104.64 3ns1 n THR 836 Ca -0.32 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3ns1 n THR 836 Cb 0.84 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3ns1 n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 837 N 1.32 -1.38 0.00 3.38 0.00 -1.26 -4.86 105.19 102.39 3ns1 n GLY 837 Ca 0.13 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3ns1 n GLY 837 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLY 838 N -0.99 5.67 3.83 -0.02 0.00 -1.26 -4.72 105.19 107.70 3ns1 n GLY 838 Ca 0.00 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3ns1 n GLY 838 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ns1 s ARG 839 N 1.31 4.09 -0.19 1.61 3.52 -0.00 -1.80 118.95 127.49 3ns1 s ARG 839 Ca 0.00 1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 56.33 3ns1 s ARG 839 Cb 0.00 -2.17 -0.02 0.00 -1.56 0.00 0.00 34.95 31.20 3ns1 s ARG 839 CO 0.00 -0.13 1.33 -1.01 -0.81 0.00 0.00 175.30 174.68 3ns1 s HIS 840 N -2.37 2.67 0.51 5.12 3.76 -1.26 -3.98 115.29 119.74 3ns1 s HIS 840 Ca 0.60 0.87 -0.23 0.00 -0.15 0.00 0.00 55.06 56.15 3ns1 s HIS 840 Cb -0.09 -3.67 -0.07 0.00 1.11 0.00 0.00 32.58 29.86 3ns1 s HIS 840 CO 0.22 -1.99 1.25 -2.30 -0.85 0.00 0.00 174.74 171.06 3ns1 n PRO 841 N 6.89 1.63 -4.43 8.40 -0.02 -1.26 -4.71 135.00 141.49 3ns1 n PRO 841 Ca 0.15 0.59 -0.22 0.00 -2.02 0.00 0.00 63.50 62.00 3ns1 n PRO 841 Cb 0.45 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 3ns1 n PRO 841 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ns1 s PHE 842 N -1.30 1.40 -0.06 6.00 2.99 -0.54 -1.63 117.98 124.84 3ns1 s PHE 842 Ca 0.68 -0.36 0.05 0.00 0.00 0.00 0.00 56.93 57.31 3ns1 s PHE 842 Cb -0.45 -0.83 -0.01 0.00 0.00 0.00 0.00 43.02 41.72 3ns1 s PHE 842 CO 0.52 0.05 -0.23 -1.17 -0.00 0.00 0.00 175.22 174.39 3ns1 s LEU 843 N -1.15 2.18 -0.04 -0.37 2.96 -0.02 -0.80 118.68 121.45 3ns1 s LEU 843 Ca 0.03 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3ns1 s LEU 843 Cb -0.08 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 3ns1 s LEU 843 CO 0.01 0.24 -0.16 0.00 -1.32 0.00 0.00 176.35 175.13 3ns1 s ALA 844 N -0.15 1.40 -0.19 5.97 0.00 0.32 -1.23 121.76 127.87 3ns1 s ALA 844 Ca -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3ns1 s ALA 844 Cb -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3ns1 s ALA 844 CO 0.04 0.26 -0.11 1.03 0.00 0.00 0.00 175.76 176.97 3ns1 s ARG 845 N 0.02 3.24 0.11 0.00 0.52 -0.84 -1.59 118.95 120.40 3ns1 s ARG 845 Ca -0.02 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3ns1 s ARG 845 Cb -0.10 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 3ns1 s ARG 845 CO 0.02 -0.13 -0.10 1.52 0.02 0.00 0.00 175.30 176.63 3ns1 s TYR 846 N 1.21 1.11 -0.16 -0.53 -0.85 -0.91 -1.56 117.35 115.66 3ns1 s TYR 846 Ca 0.02 -0.68 -0.06 0.00 -0.52 0.00 0.00 57.07 55.83 3ns1 s TYR 846 Cb -0.14 -0.60 0.08 0.00 0.38 0.00 0.00 41.96 41.68 3ns1 s TYR 846 CO -0.05 0.02 0.34 0.21 -1.52 0.00 0.00 175.55 174.55 3ns1 s LYS 847 N -3.01 0.24 0.02 -3.49 2.20 -0.30 -1.86 119.74 113.54 3ns1 s LYS 847 Ca 0.08 0.88 0.09 0.00 -0.36 0.00 0.00 55.97 56.65 3ns1 s LYS 847 Cb -0.02 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 3ns1 s LYS 847 CO 0.00 -0.26 -0.26 0.08 -0.36 0.00 0.00 175.35 174.55 3ns1 s VAL 848 N 2.44 2.09 -0.10 4.02 1.01 -0.41 -1.04 120.40 128.41 3ns1 s VAL 848 Ca -0.01 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 60.72 3ns1 s VAL 848 Cb -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3ns1 s VAL 848 CO -0.11 0.43 -0.21 -0.83 0.00 0.00 0.00 175.10 174.38 3ns1 s GLY 849 N -1.02 1.24 0.17 4.51 0.00 -0.42 -1.67 107.32 110.13 3ns1 s GLY 849 Ca 0.11 -0.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 3ns1 s GLY 849 CO 0.01 -0.18 0.27 -0.11 0.00 0.00 0.00 173.10 173.09 3ns1 s PHE 850 N 0.51 0.47 0.67 1.90 -0.12 -0.35 -0.92 117.98 120.14 3ns1 s PHE 850 Ca -0.16 -0.82 -0.08 0.00 -0.05 0.00 0.00 56.93 55.82 3ns1 s PHE 850 Cb -0.17 -0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.16 3ns1 s PHE 850 CO 0.06 -0.72 1.00 -1.64 -0.05 0.00 0.00 175.22 173.87 3ns1 s MET 851 N -3.99 2.52 0.48 1.99 -1.94 -0.10 -1.48 119.30 116.79 3ns1 s MET 851 Ca 0.19 -0.03 0.14 0.00 -1.71 0.00 0.00 55.69 54.28 3ns1 s MET 851 Cb 0.04 -2.16 1.14 0.00 2.01 0.00 0.00 34.83 35.85 3ns1 s MET 851 CO 0.01 -1.06 2.08 -0.22 -0.01 0.00 0.00 175.02 175.83 3ns1 h LYS 852 N -0.50 0.20 0.00 2.03 1.63 -1.94 -2.22 116.57 115.77 3ns1 h LYS 852 Ca -0.45 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3ns1 h LYS 852 Cb 1.29 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 3ns1 h LYS 852 CO 0.61 0.13 0.00 1.79 -3.45 0.00 0.00 179.45 178.54 3ns1 h THR 853 N 0.21 0.00 0.00 1.00 1.35 -1.96 -3.47 112.91 110.04 3ns1 h THR 853 Ca 0.11 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3ns1 h THR 853 Cb 0.17 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3ns1 h THR 853 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3ns1 n GLY 854 N 0.11 0.09 3.67 5.82 0.00 -0.84 -4.94 105.19 109.10 3ns1 n GLY 854 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 3ns1 n GLY 854 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ns1 n THR 855 N -1.99 0.13 -2.66 2.61 -1.04 -1.26 -4.73 114.28 105.35 3ns1 n THR 855 Ca 0.00 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 3ns1 n THR 855 Cb 0.00 -1.57 -0.05 0.00 -1.82 0.00 0.00 70.33 66.89 3ns1 n THR 855 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ns1 s ILE 856 N 1.62 4.01 0.00 12.58 -1.09 -1.26 -0.92 121.20 136.14 3ns1 s ILE 856 Ca 0.82 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 60.59 3ns1 s ILE 856 Cb -0.70 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 3ns1 s ILE 856 CO 0.42 -0.18 0.00 0.52 -1.23 0.00 0.00 174.94 174.47 3ns1 n VAL 857 N -0.54 0.00 -3.63 2.92 0.31 -0.10 -4.74 118.33 112.55 3ns1 n VAL 857 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 3ns1 n VAL 857 Cb 0.52 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.38 3ns1 n VAL 857 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ns1 s ALA 858 N -0.09 -1.63 -0.04 3.52 0.00 -0.85 -4.01 121.76 118.66 3ns1 s ALA 858 Ca 0.00 1.73 -0.05 0.00 0.00 0.00 0.00 51.96 53.64 3ns1 s ALA 858 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3ns1 s ALA 858 CO 0.00 -0.32 0.14 -1.17 0.00 0.00 0.00 175.76 174.41 3ns1 s LEU 859 N 0.05 1.49 -0.04 0.00 2.96 -0.21 -1.30 118.68 121.62 3ns1 s LEU 859 Ca -0.02 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3ns1 s LEU 859 Cb -0.04 0.50 0.03 0.00 0.50 0.00 0.00 46.19 47.18 3ns1 s LEU 859 CO 0.03 -0.09 0.04 -0.70 -1.32 0.00 0.00 176.35 174.30 3ns1 s GLU 860 N -0.13 0.08 -0.04 1.98 2.12 -0.20 -1.76 118.70 120.75 3ns1 s GLU 860 Ca -0.02 0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 3ns1 s GLU 860 Cb -0.02 -0.53 0.03 0.00 0.26 0.00 0.00 34.13 33.87 3ns1 s GLU 860 CO 0.00 -0.27 0.04 0.08 -0.54 0.00 0.00 175.26 174.57 3ns1 s VAL 861 N 1.79 -0.02 -0.21 3.70 1.01 -0.62 -1.15 120.40 124.91 3ns1 s VAL 861 Ca 0.01 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3ns1 s VAL 861 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3ns1 s VAL 861 CO -0.03 0.17 0.04 -1.81 0.00 0.00 0.00 175.10 173.46 3ns1 s ASP 862 N 1.81 5.16 -0.10 3.32 1.01 -0.60 -0.47 116.67 126.80 3ns1 s ASP 862 Ca 0.01 -0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.13 3ns1 s ASP 862 Cb -0.12 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 3ns1 s ASP 862 CO -0.03 0.07 -0.00 -1.00 0.21 0.00 0.00 175.17 174.42 3ns1 s HIS 863 N 0.97 3.15 -0.11 4.23 3.76 0.12 -1.99 115.29 125.42 3ns1 s HIS 863 Ca 0.03 0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 3ns1 s HIS 863 Cb -0.14 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.75 3ns1 s HIS 863 CO 0.02 0.41 -0.17 0.71 -0.85 0.00 0.00 174.74 174.86 3ns1 s TYR 864 N -0.71 2.09 0.08 1.40 1.51 -0.37 -0.50 117.35 120.84 3ns1 s TYR 864 Ca 0.11 -0.96 0.05 0.00 -1.01 0.00 0.00 57.07 55.26 3ns1 s TYR 864 Cb -0.12 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3ns1 s TYR 864 CO 0.02 -0.47 -0.03 -1.54 -1.11 0.00 0.00 175.55 172.42 3ns1 s SER 865 N 0.85 4.86 -0.57 2.29 1.04 -0.66 -0.84 113.70 120.68 3ns1 s SER 865 Ca -0.09 -0.20 -0.21 0.00 0.48 0.00 0.00 55.95 55.93 3ns1 s SER 865 Cb -0.15 -1.12 0.07 0.00 0.10 0.00 0.00 66.02 64.91 3ns1 s SER 865 CO 0.00 0.19 0.78 0.21 0.98 0.00 0.00 173.24 175.40 3ns1 s ASN 866 N -2.14 6.23 0.12 7.02 3.84 -0.65 -0.83 114.94 128.53 3ns1 s ASN 866 Ca 0.23 -0.93 0.17 0.00 0.21 0.00 0.00 52.86 52.54 3ns1 s ASN 866 Cb -0.11 -2.35 -0.08 0.00 -0.55 0.00 0.00 41.25 38.16 3ns1 s ASN 866 CO 0.16 -1.12 0.99 0.00 -2.79 0.00 0.00 177.10 174.34 3ns1 h ALA 867 N 9.22 0.65 0.00 1.71 0.00 -1.47 -3.40 119.26 125.96 3ns1 h ALA 867 Ca -0.28 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3ns1 h ALA 867 Cb 1.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ns1 h ALA 867 CO 1.06 0.79 0.00 0.41 0.00 0.00 0.00 179.25 181.52 3ns1 n GLY 868 N 1.34 -1.36 1.72 0.00 0.00 -1.24 -1.71 105.19 103.94 3ns1 n GLY 868 Ca -0.06 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.52 3ns1 n GLY 868 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ns1 n ASN 869 N 0.14 5.14 -3.75 1.61 6.94 0.77 -2.69 115.26 123.41 3ns1 n ASN 869 Ca 0.00 -2.79 -0.10 0.00 -0.02 0.00 0.00 54.58 51.68 3ns1 n ASN 869 Cb 0.00 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 36.72 3ns1 n ASN 869 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3ns1 s SER 870 N -0.71 0.06 -0.07 0.53 1.04 -1.26 -4.94 113.70 108.35 3ns1 s SER 870 Ca 0.48 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.71 3ns1 s SER 870 Cb 0.36 0.64 -0.16 0.00 0.10 0.00 0.00 66.02 66.97 3ns1 s SER 870 CO 0.15 -1.25 0.76 0.03 0.98 0.00 0.00 173.24 173.92 3ns1 h ARG 871 N 2.18 -0.13 0.00 4.02 3.08 -1.90 -3.46 114.38 118.17 3ns1 h ARG 871 Ca -0.26 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3ns1 h ARG 871 Cb 1.25 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3ns1 h ARG 871 CO 0.35 0.36 0.00 -3.47 -1.07 0.00 0.00 179.97 176.14 3ns1 n ASP 872 N -4.84 0.00 -0.91 7.04 -0.08 -1.26 -2.12 116.55 114.38 3ns1 n ASP 872 Ca -0.07 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.33 3ns1 n ASP 872 Cb 0.27 0.00 0.25 0.00 2.34 0.00 0.00 41.12 43.99 3ns1 n ASP 872 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3ns1 n LEU 873 N 0.00 2.77 -0.33 -2.67 4.77 -1.26 -4.58 117.00 115.70 3ns1 n LEU 873 Ca 0.00 -1.10 0.18 0.00 -0.03 0.00 0.00 56.01 55.06 3ns1 n LEU 873 Cb 0.00 -0.14 0.39 0.00 -2.33 0.00 0.00 43.42 41.35 3ns1 n LEU 873 CO 0.00 0.55 1.12 0.28 -1.33 0.00 0.00 177.39 178.01 3ns1 h SER 874 N 3.82 0.55 -0.06 -1.43 0.02 -1.69 -1.95 113.55 112.80 3ns1 h SER 874 Ca 0.00 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3ns1 h SER 874 Cb 0.83 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3ns1 h SER 874 CO 0.00 0.01 -0.02 -0.74 -1.14 0.00 0.00 176.83 174.94 3ns1 h HIS 875 N 0.46 0.13 -0.21 3.45 -0.00 -1.81 -2.24 115.15 114.94 3ns1 h HIS 875 Ca 0.65 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.97 3ns1 h HIS 875 Cb 1.32 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.68 3ns1 h HIS 875 CO -0.04 0.46 0.01 0.77 -0.00 0.00 0.00 177.93 179.13 3ns1 h SER 876 N -0.23 0.28 -0.46 3.26 0.02 -1.81 -1.08 113.55 113.53 3ns1 h SER 876 Ca 0.01 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3ns1 h SER 876 Cb 0.42 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3ns1 h SER 876 CO 0.01 0.32 0.05 0.40 -1.14 0.00 0.00 176.83 176.47 3ns1 h ILE 877 N 0.30 1.25 -0.45 3.27 2.04 -1.29 -1.92 117.51 120.72 3ns1 h ILE 877 Ca 0.07 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 3ns1 h ILE 877 Cb 0.19 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3ns1 h ILE 877 CO 0.00 0.33 -0.04 -0.03 0.00 0.00 0.00 178.15 178.41 3ns1 h MET 878 N 0.64 0.76 0.01 2.37 4.05 -0.89 -2.16 114.93 119.70 3ns1 h MET 878 Ca 0.14 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3ns1 h MET 878 Cb 0.43 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 3ns1 h MET 878 CO 0.01 0.80 -0.01 0.93 0.23 0.00 0.00 176.91 178.87 3ns1 h GLU 879 N 0.70 -0.02 -0.67 0.39 5.08 -1.00 -2.20 114.58 116.86 3ns1 h GLU 879 Ca 0.13 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3ns1 h GLU 879 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3ns1 h GLU 879 CO 0.03 0.07 0.44 -0.09 -1.00 0.00 0.00 179.01 178.46 3ns1 h ARG 880 N -0.11 0.85 0.39 2.33 2.43 -1.25 -1.78 114.38 117.24 3ns1 h ARG 880 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3ns1 h ARG 880 Cb 0.10 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3ns1 h ARG 880 CO 0.00 0.56 -0.30 0.00 -1.51 0.00 0.00 179.97 178.73 3ns1 h ALA 881 N 1.59 -0.68 -0.40 2.80 0.00 -1.26 -2.81 119.26 118.50 3ns1 h ALA 881 Ca 0.25 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3ns1 h ALA 881 Cb -0.06 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ns1 h ALA 881 CO -0.06 -0.91 0.27 -0.07 0.00 0.00 0.00 179.25 178.48 3ns1 h LEU 882 N -0.68 0.27 0.00 0.00 3.38 -1.02 0.23 115.31 117.49 3ns1 h LEU 882 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ns1 h LEU 882 Cb 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ns1 h LEU 882 CO -0.00 0.18 0.00 0.49 0.09 0.00 0.00 178.44 179.20 3ns1 n PHE 883 N -4.48 0.00 -0.09 1.13 0.99 -0.70 -3.19 117.46 111.12 3ns1 n PHE 883 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 3ns1 n PHE 883 Cb 0.24 -0.48 0.00 0.00 -1.00 0.00 0.00 39.48 38.24 3ns1 n PHE 883 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3ns1 n HIS 884 N -1.48 0.00 0.30 1.38 8.25 0.77 -4.74 115.22 119.70 3ns1 n HIS 884 Ca 0.04 -0.30 0.10 0.00 -0.26 0.00 0.00 57.72 57.30 3ns1 n HIS 884 Cb 0.16 -0.03 0.46 0.00 1.12 0.00 0.00 29.99 31.70 3ns1 n HIS 884 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ns1 n MET 885 N -0.30 0.14 0.06 -0.41 0.00 -0.99 -1.96 117.12 113.66 3ns1 n MET 885 Ca 0.00 0.48 0.13 0.00 0.00 0.00 0.00 57.70 58.30 3ns1 n MET 885 Cb 0.18 -1.82 0.30 0.00 0.00 0.00 0.00 33.22 31.88 3ns1 n MET 885 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3ns1 n ASP 886 N -2.09 0.66 0.00 3.17 5.75 -1.26 -4.68 116.55 118.09 3ns1 n ASP 886 Ca 0.01 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 3ns1 n ASP 886 Cb 0.14 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3ns1 n ASP 886 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ns1 n ASN 887 N -2.05 0.00 -0.95 -1.12 5.15 -0.83 -1.33 115.26 114.13 3ns1 n ASN 887 Ca 0.05 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.10 3ns1 n ASN 887 Cb 0.42 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 39.93 3ns1 n ASN 887 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ns1 s TYR 889 N -2.87 2.95 -0.08 0.00 4.12 -0.44 -1.74 117.35 119.30 3ns1 s TYR 889 Ca 0.43 -0.43 -0.30 0.00 0.02 0.00 0.00 57.07 56.79 3ns1 s TYR 889 Cb 0.35 -1.93 -0.03 0.00 -1.52 0.00 0.00 41.96 38.83 3ns1 s TYR 889 CO 0.08 -0.11 1.27 0.21 0.02 0.00 0.00 175.55 177.03 3ns1 s LYS 890 N 0.39 4.30 -0.22 -0.62 2.47 0.03 -4.81 119.74 121.28 3ns1 s LYS 890 Ca -0.06 1.75 -0.04 0.00 -1.56 0.00 0.00 55.97 56.06 3ns1 s LYS 890 Cb -0.15 -3.64 0.07 0.00 -1.46 0.00 0.00 37.83 32.66 3ns1 s LYS 890 CO 0.04 -0.56 0.08 0.42 0.16 0.00 0.00 175.35 175.48 3ns1 s ILE 891 N 2.69 0.26 0.01 5.43 1.01 -1.26 -4.84 121.20 124.50 3ns1 s ILE 891 Ca 0.58 -0.56 0.32 0.00 0.00 0.00 0.00 60.65 60.99 3ns1 s ILE 891 Cb -0.25 -0.94 0.38 0.00 0.01 0.00 0.00 42.46 41.65 3ns1 s ILE 891 CO 0.21 -0.37 1.94 1.55 0.00 0.00 0.00 174.94 178.27 3ns1 h PRO 892 N 8.31 0.00 -3.86 2.79 0.13 -1.85 -3.42 132.00 134.10 3ns1 h PRO 892 Ca -0.16 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.53 3ns1 h PRO 892 Cb 1.10 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.86 3ns1 h PRO 892 CO 0.35 0.00 -0.77 -0.80 -0.23 0.00 0.00 178.00 176.55 3ns1 s ASN 893 N -5.56 1.51 -0.25 1.44 0.01 -1.26 -4.07 114.94 106.76 3ns1 s ASN 893 Ca 0.02 -0.13 -0.18 0.00 -0.71 0.00 0.00 52.86 51.86 3ns1 s ASN 893 Cb 0.09 -0.50 0.07 0.00 0.41 0.00 0.00 41.25 41.32 3ns1 s ASN 893 CO 0.53 -0.15 0.63 -0.51 -1.51 0.00 0.00 177.10 176.10 3ns1 s ILE 894 N 1.66 -0.00 -0.06 0.60 2.07 -0.24 -1.05 121.20 124.18 3ns1 s ILE 894 Ca 0.01 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 3ns1 s ILE 894 Cb -0.13 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.59 3ns1 s ILE 894 CO -0.04 0.01 0.10 -0.60 -1.91 0.00 0.00 174.94 172.49 3ns1 s ARG 895 N 1.03 -0.03 -0.05 3.50 3.52 -0.72 -0.93 118.95 125.26 3ns1 s ARG 895 Ca -0.06 0.46 0.05 0.00 -0.13 0.00 0.00 55.73 56.05 3ns1 s ARG 895 Cb -0.05 -0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 32.92 3ns1 s ARG 895 CO -0.10 -0.32 -0.22 0.20 -0.81 0.00 0.00 175.30 174.06 3ns1 s GLY 896 N 2.22 1.14 0.31 8.12 0.00 -0.63 -1.59 107.32 116.89 3ns1 s GLY 896 Ca 0.04 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.92 3ns1 s GLY 896 CO -0.04 -0.50 0.04 -0.51 0.00 0.00 0.00 173.10 172.09 3ns1 s THR 897 N -0.05 1.22 -0.17 0.90 -4.23 0.38 -1.62 115.64 112.08 3ns1 s THR 897 Ca -0.04 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.24 3ns1 s THR 897 Cb -0.13 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.04 3ns1 s THR 897 CO 0.03 -0.05 0.56 -0.83 -0.54 0.00 0.00 174.62 173.79 3ns1 s GLY 898 N -3.47 -0.42 0.00 3.99 0.00 -0.59 -0.70 107.32 106.13 3ns1 s GLY 898 Ca 0.35 1.43 0.01 0.00 0.00 0.00 0.00 44.72 46.51 3ns1 s GLY 898 CO 0.15 1.19 -0.03 -1.60 0.00 0.00 0.00 173.10 172.81 3ns1 s ARG 899 N -0.10 0.22 -0.28 2.90 6.06 0.34 -1.57 118.95 126.51 3ns1 s ARG 899 Ca -0.03 -0.20 -0.09 0.00 -2.50 0.00 0.00 55.73 52.91 3ns1 s ARG 899 Cb -0.03 -0.14 -0.02 0.00 0.06 0.00 0.00 34.95 34.81 3ns1 s ARG 899 CO 0.03 0.03 0.13 -0.51 -2.50 0.00 0.00 175.30 172.48 3ns1 s LEU 900 N -0.35 3.86 -0.08 -0.88 1.43 -1.26 -1.66 118.68 119.74 3ns1 s LEU 900 Ca -0.02 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 3ns1 s LEU 900 Cb -0.03 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3ns1 s LEU 900 CO -0.00 -0.12 0.75 0.00 0.23 0.00 0.00 176.35 177.22 3ns1 s LYS 902 N 1.06 3.31 0.13 0.00 2.20 0.78 -1.13 119.74 126.10 3ns1 s LYS 902 Ca 0.39 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 3ns1 s LYS 902 Cb -0.18 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 3ns1 s LYS 902 CO 0.18 -0.84 -0.02 0.95 -0.36 0.00 0.00 175.35 175.26 3ns1 s THR 903 N 2.44 0.56 -0.85 3.43 -4.23 -1.10 -4.74 115.64 111.16 3ns1 s THR 903 Ca 0.18 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3ns1 s THR 903 Cb -0.16 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.71 3ns1 s THR 903 CO 0.15 -0.66 3.01 0.59 -0.54 0.00 0.00 174.62 177.18 3ns1 n ASN 904 N -0.12 7.12 -4.23 3.99 3.02 -0.08 -2.50 115.26 122.46 3ns1 n ASN 904 Ca -0.09 -2.78 -0.17 0.00 -0.03 0.00 0.00 54.58 51.51 3ns1 n ASN 904 Cb 0.62 -1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.27 3ns1 n ASN 904 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ns1 s LEU 905 N -0.81 2.42 0.21 3.41 1.43 -1.26 -4.48 118.68 119.60 3ns1 s LEU 905 Ca 0.64 -0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 3ns1 s LEU 905 Cb 0.26 -0.49 -0.17 0.00 0.03 0.00 0.00 46.19 45.83 3ns1 s LEU 905 CO -0.08 -0.18 0.62 -1.20 0.23 0.00 0.00 176.35 175.73 3ns1 n SER 906 N 0.43 -0.78 -4.67 2.29 7.64 -1.26 -0.16 113.62 117.11 3ns1 n SER 906 Ca -0.15 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 3ns1 n SER 906 Cb 0.58 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 3ns1 n SER 906 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ns1 s SER 907 N -0.90 6.48 0.63 6.43 0.15 -1.26 -4.32 113.70 120.92 3ns1 s SER 907 Ca 0.64 2.62 -0.09 0.00 0.70 0.00 0.00 55.95 59.82 3ns1 s SER 907 Cb -0.90 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 60.88 3ns1 s SER 907 CO 0.57 -1.02 0.99 0.20 1.20 0.00 0.00 173.24 175.17 3ns1 s ASN 908 N 3.90 5.65 0.00 5.45 0.01 -0.69 -4.04 114.94 125.22 3ns1 s ASN 908 Ca 0.84 0.98 0.00 0.00 -0.71 0.00 0.00 52.86 53.97 3ns1 s ASN 908 Cb -0.42 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.32 3ns1 s ASN 908 CO 0.39 -1.12 0.00 1.07 -1.51 0.00 0.00 177.10 175.92 3ns1 n THR 909 N -2.75 0.00 -1.96 1.60 5.66 -0.75 -4.59 114.28 111.48 3ns1 n THR 909 Ca 0.05 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.64 3ns1 n THR 909 Cb 0.57 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.33 3ns1 n THR 909 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ns1 s ALA 910 N -1.21 3.59 -0.14 1.79 0.00 -1.26 -4.53 121.76 120.00 3ns1 s ALA 910 Ca 0.00 1.40 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 3ns1 s ALA 910 Cb 0.00 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.61 3ns1 s ALA 910 CO 0.00 -0.82 0.33 0.12 0.00 0.00 0.00 175.76 175.39 3ns1 s PHE 911 N -0.65 -0.46 -0.20 0.00 5.99 -1.26 -3.36 117.98 118.03 3ns1 s PHE 911 Ca 0.55 1.04 -0.10 0.00 0.00 0.00 0.00 56.93 58.42 3ns1 s PHE 911 Cb -0.43 0.16 -0.05 0.00 0.00 0.00 0.00 43.02 42.69 3ns1 s PHE 911 CO 0.52 -0.28 0.64 -2.13 -0.00 0.00 0.00 175.22 173.97 3ns1 n ARG 912 N 4.18 0.00 0.00 10.12 0.63 -0.08 -0.69 116.66 130.82 3ns1 n ARG 912 Ca -0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 3ns1 n ARG 912 Cb 0.54 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.06 3ns1 n ARG 912 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ns1 n GLY 913 N 1.82 3.48 2.70 5.14 0.00 -1.26 -4.92 105.19 112.14 3ns1 n GLY 913 Ca 0.16 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 3ns1 n GLY 913 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ns1 n PHE 914 N 0.00 -1.68 0.00 1.61 7.35 0.13 -2.31 117.46 122.57 3ns1 n PHE 914 Ca 0.00 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 3ns1 n PHE 914 Cb 0.00 -3.65 0.00 0.00 0.35 0.00 0.00 39.48 36.18 3ns1 n PHE 914 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ns1 n GLY 915 N -1.30 2.95 0.30 7.13 0.00 -1.26 -4.37 105.19 108.63 3ns1 n GLY 915 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 3ns1 n GLY 915 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ns1 h GLY 916 N 0.00 -0.74 0.89 -0.02 0.00 -1.71 -2.63 103.07 98.86 3ns1 h GLY 916 Ca 0.00 0.27 0.14 0.00 0.00 0.00 0.00 47.33 47.75 3ns1 h GLY 916 CO 0.00 -0.27 0.42 -2.55 0.00 0.00 0.00 176.54 174.14 3ns1 h PRO 917 N -0.75 0.18 0.37 4.80 0.11 -1.90 0.42 132.00 135.23 3ns1 h PRO 917 Ca -0.07 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 3ns1 h PRO 917 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3ns1 h PRO 917 CO 0.12 0.12 -0.18 1.96 -0.21 0.00 0.00 178.00 179.81 3ns1 h GLN 918 N 0.19 -0.48 -0.36 1.05 7.50 -1.88 -0.07 115.11 121.05 3ns1 h GLN 918 Ca 0.29 0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.46 3ns1 h GLN 918 Cb 0.88 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.50 3ns1 h GLN 918 CO -0.05 -0.17 0.19 0.00 -1.50 0.00 0.00 178.83 177.30 3ns1 h ALA 919 N -0.38 1.66 -0.26 3.87 0.00 -1.26 -1.88 119.26 121.02 3ns1 h ALA 919 Ca -0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3ns1 h ALA 919 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ns1 h ALA 919 CO 0.08 0.29 -0.56 -0.07 0.00 0.00 0.00 179.25 178.99 3ns1 h LEU 920 N 0.49 0.89 -0.40 0.00 3.38 -0.80 -1.98 115.31 116.89 3ns1 h LEU 920 Ca 0.13 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3ns1 h LEU 920 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ns1 h LEU 920 CO -0.02 1.26 0.22 0.15 0.09 0.00 0.00 178.44 180.14 3ns1 h PHE 921 N 0.61 0.54 -0.67 1.13 3.57 -0.61 -2.33 116.94 119.16 3ns1 h PHE 921 Ca 0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3ns1 h PHE 921 Cb 1.15 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 3ns1 h PHE 921 CO 0.07 0.40 0.38 0.82 -2.23 0.00 0.00 178.31 177.75 3ns1 h ILE 922 N 0.51 0.98 -0.63 1.41 2.04 -1.27 -2.13 117.51 118.42 3ns1 h ILE 922 Ca 0.14 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3ns1 h ILE 922 Cb 0.04 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3ns1 h ILE 922 CO -0.02 0.13 0.37 0.00 0.00 0.00 0.00 178.15 178.63 3ns1 h ALA 923 N 1.35 0.81 0.00 1.87 0.00 -1.26 -2.99 119.26 119.04 3ns1 h ALA 923 Ca 0.30 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3ns1 h ALA 923 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ns1 h ALA 923 CO -0.18 0.30 -0.38 0.93 0.00 0.00 0.00 179.25 179.93 3ns1 h GLU 924 N 0.86 0.00 0.06 0.00 4.39 -1.12 -2.40 114.58 116.38 3ns1 h GLU 924 Ca 0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3ns1 h GLU 924 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ns1 h GLU 924 CO -0.04 0.38 -0.03 -0.97 -1.16 0.00 0.00 179.01 177.19 3ns1 h ASN 925 N 0.00 -0.07 -0.57 1.42 -1.24 -1.27 -0.66 115.58 113.19 3ns1 h ASN 925 Ca -0.00 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.74 3ns1 h ASN 925 Cb 0.99 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 3ns1 h ASN 925 CO 0.05 0.19 0.24 4.11 -1.29 0.00 0.00 177.43 180.73 3ns1 h TRP 926 N -0.33 0.90 -0.88 0.67 5.08 -1.47 -2.19 115.95 117.72 3ns1 h TRP 926 Ca -0.01 -0.05 -0.02 0.00 1.08 0.00 0.00 58.89 59.89 3ns1 h TRP 926 Cb 0.29 -0.27 -0.04 0.00 -3.00 0.00 0.00 29.16 26.13 3ns1 h TRP 926 CO 0.01 0.69 0.49 1.98 -1.28 0.00 0.00 178.44 180.33 3ns1 h MET 927 N 0.88 1.23 -0.38 0.12 4.05 -1.37 0.10 114.93 119.55 3ns1 h MET 927 Ca 0.21 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 3ns1 h MET 927 Cb 0.18 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 3ns1 h MET 927 CO -0.02 0.89 -0.05 0.66 0.23 0.00 0.00 176.91 178.63 3ns1 h SER 928 N 1.23 0.60 0.47 1.39 4.64 -0.70 -2.74 113.55 118.44 3ns1 h SER 928 Ca 0.31 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 3ns1 h SER 928 Cb 0.01 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3ns1 h SER 928 CO -0.05 0.70 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.86 3ns1 h GLU 929 N 0.59 0.00 -0.05 4.77 5.08 -0.45 -2.67 114.58 121.85 3ns1 h GLU 929 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ns1 h GLU 929 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3ns1 h GLU 929 CO 0.02 0.42 0.01 0.28 -1.00 0.00 0.00 179.01 178.74 3ns1 h VAL 930 N 0.00 1.20 -0.60 3.13 2.07 -0.79 -1.16 116.25 120.10 3ns1 h VAL 930 Ca -0.00 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.00 3ns1 h VAL 930 Cb 0.77 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 3ns1 h VAL 930 CO 0.05 0.16 0.28 0.00 0.02 0.00 0.00 177.57 178.09 3ns1 h ALA 931 N 0.78 0.79 -0.30 1.67 0.00 -1.37 -1.59 119.26 119.24 3ns1 h ALA 931 Ca 0.01 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3ns1 h ALA 931 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ns1 h ALA 931 CO 0.00 -0.09 -0.17 0.28 0.00 0.00 0.00 179.25 179.28 3ns1 h VAL 932 N 0.52 1.30 -0.38 0.00 2.07 -1.43 -1.01 116.25 117.32 3ns1 h VAL 932 Ca 0.28 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.54 3ns1 h VAL 932 Cb 0.25 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3ns1 h VAL 932 CO -0.22 0.41 0.22 0.74 0.02 0.00 0.00 177.57 178.74 3ns1 h THR 933 N 0.39 1.05 0.00 2.57 2.02 -1.01 -2.23 112.91 115.70 3ns1 h THR 933 Ca 0.06 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3ns1 h THR 933 Cb 0.70 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3ns1 h THR 933 CO 0.05 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3ns1 n GLY 935 N 0.24 0.22 3.80 0.00 0.00 -0.45 -5.03 105.19 103.97 3ns1 n GLY 935 Ca 0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 3ns1 n GLY 935 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ns1 s LEU 936 N -2.40 3.74 0.52 0.99 1.43 -0.79 -5.04 118.68 117.13 3ns1 s LEU 936 Ca 0.00 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.60 3ns1 s LEU 936 Cb 0.00 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 3ns1 s LEU 936 CO 0.00 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.48 3ns1 s PRO 937 N -3.82 3.53 0.05 1.29 0.04 -1.26 -4.62 135.00 130.20 3ns1 s PRO 937 Ca 0.33 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 3ns1 s PRO 937 Cb -0.08 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 3ns1 s PRO 937 CO 0.24 -0.68 1.39 0.00 0.04 0.00 0.00 177.00 177.99 3ns1 h ALA 938 N 1.33 0.23 -0.55 8.56 0.00 -1.99 -2.68 119.26 124.16 3ns1 h ALA 938 Ca -0.50 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.21 3ns1 h ALA 938 Cb 1.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3ns1 h ALA 938 CO 0.58 0.06 0.37 0.93 0.00 0.00 0.00 179.25 181.19 3ns1 h GLU 939 N 0.01 0.38 -0.32 0.00 3.07 -1.93 0.04 114.58 115.82 3ns1 h GLU 939 Ca 0.03 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.70 3ns1 h GLU 939 Cb 0.59 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3ns1 h GLU 939 CO 0.03 0.25 -0.48 1.49 -1.40 0.00 0.00 179.01 178.89 3ns1 h GLU 940 N 0.39 0.89 0.02 2.33 4.81 -1.88 -1.65 114.58 119.48 3ns1 h GLU 940 Ca 0.25 -0.52 -0.26 0.00 -0.13 0.00 0.00 59.36 58.70 3ns1 h GLU 940 Cb 0.48 0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.92 3ns1 h GLU 940 CO -0.07 1.16 -1.06 0.28 -0.73 0.00 0.00 179.01 178.60 3ns1 h VAL 941 N 0.70 1.31 -0.08 0.32 2.07 -1.07 -1.76 116.25 117.75 3ns1 h VAL 941 Ca 0.03 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 3ns1 h VAL 941 Cb 1.08 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3ns1 h VAL 941 CO 0.11 0.72 0.04 0.03 0.02 0.00 0.00 177.57 178.48 3ns1 h ARG 942 N 0.33 0.11 -0.28 1.57 3.08 -1.07 -3.22 114.38 114.90 3ns1 h ARG 942 Ca -0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3ns1 h ARG 942 Cb 1.71 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 3ns1 h ARG 942 CO 0.20 0.20 0.19 2.35 -1.07 0.00 0.00 179.97 181.84 3ns1 h TRP 943 N -0.00 0.36 -1.00 3.04 2.91 -1.31 -2.77 115.95 117.17 3ns1 h TRP 943 Ca 0.03 0.01 0.27 0.00 1.13 0.00 0.00 58.89 60.32 3ns1 h TRP 943 Cb 0.12 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 3ns1 h TRP 943 CO -0.03 0.23 0.69 0.87 -1.03 0.00 0.00 178.44 179.16 3ns1 h LYS 944 N 0.38 0.20 -0.02 2.65 1.57 -1.38 -2.85 116.57 117.12 3ns1 h LYS 944 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3ns1 h LYS 944 Cb -0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3ns1 h LYS 944 CO -0.02 0.13 -0.29 0.09 -0.57 0.00 0.00 179.45 178.80 3ns1 n ASN 945 N -4.41 2.09 -4.77 0.86 3.02 -1.05 -4.98 115.26 106.01 3ns1 n ASN 945 Ca 0.22 -1.55 -0.40 0.00 -0.03 0.00 0.00 54.58 52.83 3ns1 n ASN 945 Cb 0.94 0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 40.37 3ns1 n ASN 945 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ns1 s MET 946 N -2.32 4.05 0.86 3.52 -1.94 -1.08 -0.79 119.30 121.60 3ns1 s MET 946 Ca 0.23 2.27 -0.13 0.00 -1.71 0.00 0.00 55.69 56.35 3ns1 s MET 946 Cb 0.19 -2.86 0.05 0.00 2.01 0.00 0.00 34.83 34.22 3ns1 s MET 946 CO 0.48 -0.46 0.75 0.66 -0.01 0.00 0.00 175.02 176.43 3ns1 n TYR 947 N 0.31 -0.26 -4.36 -0.03 4.02 -0.71 -4.59 117.16 111.53 3ns1 n TYR 947 Ca 0.02 0.33 -0.24 0.00 -0.01 0.00 0.00 57.90 58.00 3ns1 n TYR 947 Cb 0.42 -1.93 -0.09 0.00 -0.02 0.00 0.00 39.34 37.72 3ns1 n TYR 947 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3ns1 s LYS 948 N -3.70 1.98 -0.25 -0.72 -0.14 -1.26 -4.97 119.74 110.68 3ns1 s LYS 948 Ca 0.65 -1.51 -0.43 0.00 -1.36 0.00 0.00 55.97 53.32 3ns1 s LYS 948 Cb -0.27 -2.01 -0.19 0.00 -1.68 0.00 0.00 37.83 33.69 3ns1 s LYS 948 CO 0.60 0.37 1.43 -1.91 -0.76 0.00 0.00 175.35 175.08 3ns1 n GLU 949 N -0.52 0.30 -0.12 1.68 4.07 -1.26 -2.05 120.64 122.74 3ns1 n GLU 949 Ca -0.07 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 3ns1 n GLU 949 Cb 0.58 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 3ns1 n GLU 949 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ns1 n GLY 950 N 3.11 0.69 3.71 8.31 0.00 -0.73 -5.05 105.19 115.23 3ns1 n GLY 950 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3ns1 n GLY 950 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ns1 s ASP 951 N -2.73 3.87 0.20 1.61 1.01 -0.87 -4.55 116.67 115.20 3ns1 s ASP 951 Ca 0.00 2.24 -0.05 0.00 0.71 0.00 0.00 52.55 55.45 3ns1 s ASP 951 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 3ns1 s ASP 951 CO 0.00 -2.47 0.45 -0.76 0.21 0.00 0.00 175.17 172.60 3ns1 s LEU 952 N -5.65 4.20 0.85 1.23 1.43 -1.26 -0.45 118.68 119.02 3ns1 s LEU 952 Ca 0.70 0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 54.37 3ns1 s LEU 952 Cb -0.26 -3.41 0.16 0.00 0.03 0.00 0.00 46.19 42.71 3ns1 s LEU 952 CO 0.50 -0.04 1.17 0.42 0.23 0.00 0.00 176.35 178.63 3ns1 s THR 953 N -1.81 2.07 0.40 5.49 -4.23 -0.47 -4.89 115.64 112.20 3ns1 s THR 953 Ca 0.43 -0.27 0.39 0.00 -1.18 0.00 0.00 61.69 61.06 3ns1 s THR 953 Cb -0.11 -2.80 0.41 0.00 1.34 0.00 0.00 72.50 71.34 3ns1 s THR 953 CO 0.26 0.00 2.19 1.12 -0.54 0.00 0.00 174.62 177.65 3ns1 h HIS 954 N -1.12 0.00 -0.66 3.99 2.07 -1.91 -0.65 115.15 116.86 3ns1 h HIS 954 Ca -0.41 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 56.89 3ns1 h HIS 954 Cb 1.25 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 31.10 3ns1 h HIS 954 CO -0.67 0.00 0.24 1.97 -3.07 0.00 0.00 177.93 176.40 3ns1 n PHE 955 N -3.00 2.15 -2.54 6.12 1.16 -1.26 -4.65 117.46 115.44 3ns1 n PHE 955 Ca -0.02 -1.31 -0.18 0.00 -1.87 0.00 0.00 57.45 54.07 3ns1 n PHE 955 Cb 0.14 -0.65 -0.00 0.00 -1.61 0.00 0.00 39.48 37.36 3ns1 n PHE 955 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3ns1 n ASN 956 N -0.48 -5.18 -4.81 5.98 3.02 -0.25 -4.54 115.26 108.99 3ns1 n ASN 956 Ca 0.40 -0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.58 3ns1 n ASN 956 Cb 1.32 -4.32 -0.07 0.00 -0.61 0.00 0.00 39.78 36.10 3ns1 n ASN 956 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3ns1 s GLN 957 N -5.18 3.79 0.18 3.52 0.74 -1.26 -4.78 119.66 116.68 3ns1 s GLN 957 Ca 0.06 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 3ns1 s GLN 957 Cb -0.03 -3.29 -0.08 0.00 1.10 0.00 0.00 33.01 30.71 3ns1 s GLN 957 CO 0.07 0.57 1.20 0.50 -0.55 0.00 0.00 175.29 177.08 3ns1 s ARG 958 N -0.44 4.48 -0.55 1.67 3.52 -1.26 -1.37 118.95 125.01 3ns1 s ARG 958 Ca 0.13 1.88 -0.17 0.00 -0.13 0.00 0.00 55.73 57.44 3ns1 s ARG 958 Cb -0.12 -3.24 0.10 0.00 -1.56 0.00 0.00 34.95 30.13 3ns1 s ARG 958 CO 0.03 -0.10 0.58 -0.51 -0.81 0.00 0.00 175.30 174.49 3ns1 s LEU 959 N -0.18 5.62 -0.10 -0.88 1.43 0.40 -4.98 118.68 119.99 3ns1 s LEU 959 Ca 0.53 -1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 3ns1 s LEU 959 Cb -0.33 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 3ns1 s LEU 959 CO 0.36 -0.93 0.04 -1.61 0.23 0.00 0.00 176.35 174.44 3ns1 s GLU 960 N 2.18 3.11 -0.99 1.70 2.02 -1.26 -1.78 118.70 123.67 3ns1 s GLU 960 Ca 0.08 -0.34 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 3ns1 s GLU 960 Cb -0.25 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.09 3ns1 s GLU 960 CO 0.06 0.72 0.86 0.41 0.02 0.00 0.00 175.26 177.32 3ns1 n GLY 961 N 2.12 -0.17 3.56 -1.39 0.00 -1.26 -4.90 105.19 103.15 3ns1 n GLY 961 Ca -0.19 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3ns1 n GLY 961 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ns1 s PHE 962 N -3.25 2.24 -0.82 1.61 5.36 -1.26 -4.88 117.98 116.98 3ns1 s PHE 962 Ca 0.33 0.21 0.14 0.00 -0.96 0.00 0.00 56.93 56.65 3ns1 s PHE 962 Cb -0.14 -4.51 0.46 0.00 -0.34 0.00 0.00 43.02 38.49 3ns1 s PHE 962 CO 0.55 -2.03 1.39 -1.13 -1.46 0.00 0.00 175.22 172.54 3ns1 n SER 963 N 9.73 3.59 -0.21 6.13 3.41 -1.26 -4.52 113.62 130.49 3ns1 n SER 963 Ca 0.08 -2.36 -0.02 0.00 -0.26 0.00 0.00 58.87 56.30 3ns1 n SER 963 Cb 0.49 -0.40 0.08 0.00 -0.26 0.00 0.00 64.21 64.13 3ns1 n SER 963 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ns1 h VAL 964 N 2.48 0.96 -0.38 -3.33 2.07 -1.94 -2.52 116.25 113.57 3ns1 h VAL 964 Ca 0.00 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.39 3ns1 h VAL 964 Cb 1.07 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 3ns1 h VAL 964 CO 0.10 0.11 -0.21 -0.65 0.02 0.00 0.00 177.57 176.95 3ns1 h PRO 965 N 0.61 -0.14 -0.41 1.57 0.11 -1.94 0.11 132.00 131.91 3ns1 h PRO 965 Ca 0.27 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.48 3ns1 h PRO 965 Cb 0.17 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.23 3ns1 h PRO 965 CO -0.18 -0.09 -0.16 0.00 -0.21 0.00 0.00 178.00 177.36 3ns1 h ARG 966 N -0.15 -0.07 -0.31 1.05 3.08 -1.87 -1.14 114.38 114.98 3ns1 h ARG 966 Ca 0.19 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.29 3ns1 h ARG 966 Cb 0.44 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 3ns1 h ARG 966 CO -0.47 -0.04 0.03 0.00 -1.07 0.00 0.00 179.97 178.42 3ns1 h TRP 968 N 0.13 -0.69 -0.53 0.00 2.91 -0.61 -1.28 115.95 115.88 3ns1 h TRP 968 Ca 0.15 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.20 3ns1 h TRP 968 Cb 0.18 0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 3ns1 h TRP 968 CO -0.20 -0.35 0.34 0.22 -1.03 0.00 0.00 178.44 177.42 3ns1 h ASP 969 N -0.42 0.57 0.37 2.65 3.58 -1.00 -0.90 116.42 121.28 3ns1 h ASP 969 Ca 0.05 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 3ns1 h ASP 969 Cb 0.48 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 3ns1 h ASP 969 CO -0.20 0.41 -0.67 -0.33 -2.88 0.00 0.00 179.24 175.57 3ns1 h GLU 970 N 0.68 0.27 -0.42 0.28 5.08 -1.23 -2.82 114.58 116.43 3ns1 h GLU 970 Ca 0.20 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3ns1 h GLU 970 Cb -0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3ns1 h GLU 970 CO -0.06 0.85 0.09 0.00 -1.00 0.00 0.00 179.01 178.88 3ns1 h LEU 972 N 0.54 0.94 0.08 0.00 3.38 -1.13 -1.82 115.31 117.30 3ns1 h LEU 972 Ca 0.13 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3ns1 h LEU 972 Cb 0.34 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ns1 h LEU 972 CO 0.00 0.59 -0.75 0.11 0.09 0.00 0.00 178.44 178.49 3ns1 h LYS 973 N 1.07 0.37 0.00 1.13 1.57 -1.35 -2.44 116.57 116.92 3ns1 h LYS 973 Ca 0.42 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3ns1 h LYS 973 Cb 0.21 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3ns1 h LYS 973 CO -0.19 1.19 -0.27 0.66 -0.57 0.00 0.00 179.45 180.27 3ns1 h SER 974 N -0.20 0.00 0.67 0.86 4.64 -1.32 -3.07 113.55 115.13 3ns1 h SER 974 Ca -0.11 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3ns1 h SER 974 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3ns1 h SER 974 CO 0.14 0.03 -0.44 -1.54 -0.87 0.00 0.00 176.83 174.15 3ns1 n SER 975 N -2.45 0.46 -3.79 4.97 3.41 -0.69 -4.96 113.62 110.57 3ns1 n SER 975 Ca 0.04 -0.04 -0.23 0.00 -0.26 0.00 0.00 58.87 58.37 3ns1 n SER 975 Cb 0.47 0.10 0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3ns1 n SER 975 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ns1 n GLN 976 N -1.63 -4.56 -0.14 4.33 6.02 -1.13 -4.86 117.38 115.41 3ns1 n GLN 976 Ca 0.05 0.56 -0.07 0.00 -0.01 0.00 0.00 57.00 57.53 3ns1 n GLN 976 Cb 0.36 -5.05 -0.01 0.00 1.02 0.00 0.00 30.24 26.55 3ns1 n GLN 976 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3ns1 h TYR 977 N -1.88 -0.93 -0.27 1.08 3.20 -1.73 -1.64 116.97 114.80 3ns1 h TYR 977 Ca -0.61 0.06 -0.17 0.00 3.14 0.00 0.00 58.73 61.15 3ns1 h TYR 977 Cb 1.36 0.47 0.00 0.00 1.54 0.00 0.00 36.73 40.11 3ns1 h TYR 977 CO 0.48 -0.38 -0.49 1.88 -1.64 0.00 0.00 178.16 178.01 3ns1 h TYR 978 N -0.24 1.02 -0.01 -3.82 -1.99 -1.92 -0.72 116.97 109.30 3ns1 h TYR 978 Ca 0.18 -0.36 0.03 0.00 2.00 0.00 0.00 58.73 60.58 3ns1 h TYR 978 Cb 0.54 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.04 3ns1 h TYR 978 CO -0.56 1.17 -0.20 0.00 -0.00 0.00 0.00 178.16 178.56 3ns1 h ALA 979 N 0.67 -0.26 -0.08 3.88 0.00 -1.93 -2.78 119.26 118.76 3ns1 h ALA 979 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ns1 h ALA 979 Cb 1.10 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3ns1 h ALA 979 CO 0.11 -0.70 0.04 0.00 0.00 0.00 0.00 179.25 178.70 3ns1 h ARG 980 N -0.32 0.11 -0.67 0.00 3.08 -1.25 -2.33 114.38 112.99 3ns1 h ARG 980 Ca 0.06 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3ns1 h ARG 980 Cb 0.40 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3ns1 h ARG 980 CO -0.19 0.09 0.43 -0.22 -1.07 0.00 0.00 179.97 179.00 3ns1 h LYS 981 N 0.11 0.82 -0.86 0.04 3.64 -0.85 -2.53 116.57 116.95 3ns1 h LYS 981 Ca 0.03 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3ns1 h LYS 981 Cb 0.02 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 3ns1 h LYS 981 CO -0.00 0.54 0.54 0.77 -2.27 0.00 0.00 179.45 179.03 3ns1 h SER 982 N 0.85 0.86 -0.69 4.20 0.02 -1.30 -2.29 113.55 115.20 3ns1 h SER 982 Ca 0.26 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3ns1 h SER 982 Cb -0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3ns1 h SER 982 CO -0.09 0.56 0.42 -0.33 -1.14 0.00 0.00 176.83 176.25 3ns1 h GLU 983 N 1.00 0.94 0.10 3.45 3.07 -1.37 -1.06 114.58 120.71 3ns1 h GLU 983 Ca 0.37 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3ns1 h GLU 983 Cb 0.12 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3ns1 h GLU 983 CO -0.16 0.66 -0.05 0.28 -1.40 0.00 0.00 179.01 178.34 3ns1 h VAL 984 N 0.96 1.10 -0.59 3.13 2.07 -1.02 0.34 116.25 122.23 3ns1 h VAL 984 Ca 0.25 -0.80 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3ns1 h VAL 984 Cb -0.04 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3ns1 h VAL 984 CO -0.05 0.19 0.16 0.44 0.02 0.00 0.00 177.57 178.34 3ns1 h ASP 985 N -0.51 0.09 -0.29 0.57 3.32 -1.35 -0.90 116.42 117.36 3ns1 h ASP 985 Ca -0.01 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3ns1 h ASP 985 Cb 0.42 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3ns1 h ASP 985 CO 0.02 0.06 0.11 0.50 -1.72 0.00 0.00 179.24 178.22 3ns1 h LYS 986 N 0.31 0.24 -0.81 3.56 3.64 -1.07 -0.84 116.57 121.62 3ns1 h LYS 986 Ca 0.30 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3ns1 h LYS 986 Cb 0.42 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 3ns1 h LYS 986 CO -0.35 0.16 0.53 0.35 -2.27 0.00 0.00 179.45 177.87 3ns1 h PHE 987 N 0.25 0.95 0.00 1.91 3.57 -0.42 -2.55 116.94 120.66 3ns1 h PHE 987 Ca 0.13 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3ns1 h PHE 987 Cb 0.08 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3ns1 h PHE 987 CO -0.12 0.54 -0.31 -0.91 -2.23 0.00 0.00 178.31 175.28 3ns1 h ASN 988 N 0.97 0.00 0.77 0.41 2.35 -0.73 -2.48 115.58 116.87 3ns1 h ASN 988 Ca 0.33 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.94 3ns1 h ASN 988 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3ns1 h ASN 988 CO -0.10 0.31 -0.64 0.11 -1.65 0.00 0.00 177.43 175.47 3ns1 h LYS 989 N 0.00 0.00 -0.00 0.81 1.57 -0.76 -3.32 116.57 114.86 3ns1 h LYS 989 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ns1 h LYS 989 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3ns1 h LYS 989 CO 0.04 0.64 -0.92 0.39 -0.57 0.00 0.00 179.45 179.03 3ns1 n GLU 990 N -3.65 0.29 -5.01 3.15 1.02 -1.05 -4.96 120.64 110.42 3ns1 n GLU 990 Ca -0.01 -0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.74 3ns1 n GLU 990 Cb 0.66 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.44 3ns1 n GLU 990 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3ns1 s ASN 991 N -2.89 2.48 -0.24 1.62 0.01 -0.94 -5.06 114.94 109.92 3ns1 s ASN 991 Ca 0.09 -0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 51.75 3ns1 s ASN 991 Cb 0.16 -0.47 -0.11 0.00 0.41 0.00 0.00 41.25 41.24 3ns1 s ASN 991 CO 0.82 0.22 -0.29 0.00 -1.51 0.00 0.00 177.10 176.34 3ns1 n TRP 993 N -3.92 0.78 -3.91 0.00 7.02 -1.26 -4.92 117.44 111.23 3ns1 n TRP 993 Ca -0.46 -0.68 -0.11 0.00 -1.02 0.00 0.00 57.50 55.23 3ns1 n TRP 993 Cb 0.85 -0.18 -0.12 0.00 -2.42 0.00 0.00 31.31 29.44 3ns1 n TRP 993 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ns1 s LYS 994 N -1.90 0.18 0.06 -0.99 1.02 -1.26 -2.09 119.74 114.76 3ns1 s LYS 994 Ca 0.34 -0.27 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 3ns1 s LYS 994 Cb 0.24 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.61 3ns1 s LYS 994 CO 0.13 -0.03 0.14 0.15 -0.92 0.00 0.00 175.35 174.82 3ns1 s LYS 995 N -0.72 0.70 0.15 1.68 -0.14 -0.89 -4.78 119.74 115.75 3ns1 s LYS 995 Ca -0.08 -0.85 0.10 0.00 -1.36 0.00 0.00 55.97 53.79 3ns1 s LYS 995 Cb -0.05 0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 36.34 3ns1 s LYS 995 CO -0.00 -0.20 -0.22 1.03 -0.76 0.00 0.00 175.35 175.20 3ns1 s ARG 996 N -3.18 1.61 0.03 1.68 0.52 -1.26 -0.95 118.95 117.40 3ns1 s ARG 996 Ca -0.00 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 53.84 3ns1 s ARG 996 Cb 0.02 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 3ns1 s ARG 996 CO -0.07 0.44 0.01 0.20 0.02 0.00 0.00 175.30 175.90 3ns1 s GLY 997 N -2.36 0.24 -0.10 -3.53 0.00 -0.91 -4.33 107.32 96.33 3ns1 s GLY 997 Ca 0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 3ns1 s GLY 997 CO 0.09 -0.72 0.23 -2.27 0.00 0.00 0.00 173.10 170.43 3ns1 s LEU 998 N -1.79 0.29 0.04 0.66 2.96 -1.26 -1.93 118.68 117.64 3ns1 s LEU 998 Ca -0.10 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 3ns1 s LEU 998 Cb -0.05 0.64 -0.03 0.00 0.50 0.00 0.00 46.19 47.24 3ns1 s LEU 998 CO -0.03 -0.18 -0.04 0.00 -1.32 0.00 0.00 176.35 174.78 3ns1 s ILE 1000N -2.27 0.65 -0.04 0.00 2.07 -1.26 -2.30 121.20 118.05 3ns1 s ILE 1000Ca -0.07 -0.18 0.02 0.00 -1.41 0.00 0.00 60.65 59.01 3ns1 s ILE 1000Cb -0.04 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.90 3ns1 s ILE 1000CO -0.04 0.26 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.54 3ns1 s ILE 1001N 0.97 0.78 0.51 2.00 1.09 -0.04 -4.90 121.20 121.61 3ns1 s ILE 1001Ca -0.10 -0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.14 3ns1 s ILE 1001Cb -0.14 -0.73 0.01 0.00 -1.06 0.00 0.00 42.46 40.54 3ns1 s ILE 1001CO 0.00 0.26 0.76 -2.16 -0.10 0.00 0.00 174.94 173.70 3ns1 s PRO 1002N 0.58 2.88 0.01 2.79 0.04 -1.26 -1.22 135.00 138.81 3ns1 s PRO 1002Ca -0.09 -0.44 -0.28 0.00 0.04 0.00 0.00 61.00 60.23 3ns1 s PRO 1002Cb -0.13 -2.47 0.07 0.00 0.04 0.00 0.00 34.50 32.01 3ns1 s PRO 1002CO 0.01 -0.50 0.63 -0.08 0.04 0.00 0.00 177.00 177.10 3ns1 s THR 1003N -2.72 0.01 0.06 1.26 -1.32 -0.17 -4.90 115.64 107.85 3ns1 s THR 1003Ca 0.52 -0.05 0.03 0.00 -1.21 0.00 0.00 61.69 60.98 3ns1 s THR 1003Cb -0.10 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 3ns1 s THR 1003CO 0.40 -0.03 -0.08 -1.59 -2.21 0.00 0.00 174.62 171.11 3ns1 s LYS 1004N -1.86 0.62 -0.13 7.08 -2.85 -1.26 -2.32 119.74 119.01 3ns1 s LYS 1004Ca -0.08 -0.88 -0.04 0.00 -1.00 0.00 0.00 55.97 53.97 3ns1 s LYS 1004Cb -0.00 -0.35 0.07 0.00 -2.06 0.00 0.00 37.83 35.48 3ns1 s LYS 1004CO 0.04 0.06 0.25 0.12 0.10 0.00 0.00 175.35 175.91 3ns1 s PHE 1005N -1.73 -0.39 0.26 1.78 5.36 -0.45 -4.97 117.98 117.85 3ns1 s PHE 1005Ca -0.05 0.85 -0.30 0.00 -0.96 0.00 0.00 56.93 56.47 3ns1 s PHE 1005Cb -0.08 -0.09 -0.10 0.00 -0.34 0.00 0.00 43.02 42.41 3ns1 s PHE 1005CO -0.00 -0.38 1.32 0.20 -1.46 0.00 0.00 175.22 174.90 3ns1 s GLY 1006N 2.40 2.68 -0.25 13.12 0.00 -1.26 -1.88 107.32 122.13 3ns1 s GLY 1006Ca 0.02 1.19 -0.05 0.00 0.00 0.00 0.00 44.72 45.89 3ns1 s GLY 1006CO -0.09 2.01 0.01 -0.42 0.00 0.00 0.00 173.10 174.61 3ns1 s ILE 1007N -0.48 3.61 0.00 0.90 -1.09 -0.77 -4.96 121.20 118.41 3ns1 s ILE 1007Ca 0.53 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 3ns1 s ILE 1007Cb -0.38 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3ns1 s ILE 1007CO 0.45 0.27 0.00 -1.20 -1.23 0.00 0.00 174.94 173.23 3ns1 n SER 1008N 4.82 0.00 -4.75 3.58 7.64 -1.26 -1.35 113.62 122.30 3ns1 n SER 1008Ca -0.17 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.30 3ns1 n SER 1008Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 3ns1 n SER 1008CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ns1 s PHE 1009N -1.97 3.10 -0.38 1.43 0.40 -1.26 -4.91 117.98 114.38 3ns1 s PHE 1009Ca 0.00 1.14 0.25 0.00 -0.60 0.00 0.00 56.93 57.72 3ns1 s PHE 1009Cb 0.00 -3.73 1.06 0.00 0.51 0.00 0.00 43.02 40.85 3ns1 s PHE 1009CO 0.00 -2.31 1.75 1.79 0.70 0.00 0.00 175.22 177.15 3ns1 h THR 1010N 3.52 0.00 -3.35 0.64 1.35 -1.95 -3.39 112.91 109.74 3ns1 h THR 1010Ca -0.46 -0.25 -0.62 0.00 -0.55 0.00 0.00 66.41 64.53 3ns1 h THR 1010Cb 1.22 0.99 -0.13 0.00 -1.73 0.00 0.00 68.15 68.50 3ns1 h THR 1010CO 0.76 0.00 0.44 -0.69 -0.25 0.00 0.00 175.52 175.77 3ns1 s VAL 1011N -3.38 4.53 0.35 6.82 1.01 -1.26 -4.94 120.40 123.53 3ns1 s VAL 1011Ca 0.03 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.35 3ns1 s VAL 1011Cb 0.09 -4.44 0.33 0.00 0.00 0.00 0.00 36.38 32.36 3ns1 s VAL 1011CO 0.40 -0.95 1.83 -0.65 0.00 0.00 0.00 175.10 175.73 3ns1 h PRO 1012N 9.16 0.66 0.00 2.72 0.11 -1.96 -2.72 132.00 139.98 3ns1 h PRO 1012Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ns1 h PRO 1012Cb 1.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ns1 h PRO 1012CO 1.03 0.44 0.00 1.97 -0.21 0.00 0.00 178.00 181.23 3ns1 n PHE 1013N -4.61 0.56 0.50 0.65 1.16 -1.26 -2.18 117.46 112.27 3ns1 n PHE 1013Ca 0.20 0.21 0.13 0.00 -1.87 0.00 0.00 57.45 56.12 3ns1 n PHE 1013Cb 0.54 -0.85 0.38 0.00 -1.61 0.00 0.00 39.48 37.95 3ns1 n PHE 1013CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3ns1 h LEU 1014N 0.00 0.00 -6.02 5.98 3.38 -1.86 -3.38 115.31 113.41 3ns1 h LEU 1014Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 3ns1 h LEU 1014Cb 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3ns1 h LEU 1014CO 0.00 0.00 2.94 0.59 0.09 0.00 0.00 178.44 182.06 3ns1 n ASN 1015N -2.47 4.52 -3.83 -0.43 3.02 -0.93 -4.72 115.26 110.42 3ns1 n ASN 1015Ca 0.05 -2.89 -0.11 0.00 -0.03 0.00 0.00 54.58 51.60 3ns1 n ASN 1015Cb 0.42 -1.61 -0.08 0.00 -0.61 0.00 0.00 39.78 37.90 3ns1 n ASN 1015CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ns1 s GLN 1016N 2.46 0.69 -0.22 3.52 -2.07 -1.26 -2.21 119.66 120.57 3ns1 s GLN 1016Ca 0.47 -0.58 -0.27 0.00 -1.82 0.00 0.00 55.36 53.17 3ns1 s GLN 1016Cb 0.13 0.29 0.08 0.00 -1.09 0.00 0.00 33.01 32.43 3ns1 s GLN 1016CO -0.07 -0.20 0.78 0.00 -1.32 0.00 0.00 175.29 174.48 3ns1 s ALA 1017N -2.42 -1.82 0.08 2.60 0.00 -0.52 -4.60 121.76 115.08 3ns1 s ALA 1017Ca -0.06 1.82 0.07 0.00 0.00 0.00 0.00 51.96 53.79 3ns1 s ALA 1017Cb -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3ns1 s ALA 1017CO -0.03 -0.33 -0.19 0.20 0.00 0.00 0.00 175.76 175.41 3ns1 s GLY 1018N -0.08 1.10 0.16 0.00 0.00 -1.26 -0.65 107.32 106.58 3ns1 s GLY 1018Ca -0.02 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.60 3ns1 s GLY 1018CO 0.02 -1.12 -0.05 0.00 0.00 0.00 0.00 173.10 171.95 3ns1 s ALA 1019N -1.09 1.39 -0.04 3.20 0.00 0.16 -2.55 121.76 122.82 3ns1 s ALA 1019Ca 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 3ns1 s ALA 1019Cb -0.10 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3ns1 s ALA 1019CO 0.03 -0.20 0.04 -1.17 0.00 0.00 0.00 175.76 174.46 3ns1 s LEU 1020N -3.17 0.38 -0.11 0.00 2.96 0.15 -1.70 118.68 117.20 3ns1 s LEU 1020Ca 0.19 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 3ns1 s LEU 1020Cb 0.04 -0.19 0.00 0.00 0.50 0.00 0.00 46.19 46.54 3ns1 s LEU 1020CO 0.02 -0.22 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.97 3ns1 s ILE 1021N 1.95 2.13 -0.07 6.68 1.01 -0.57 -1.48 121.20 130.85 3ns1 s ILE 1021Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.69 3ns1 s ILE 1021Cb -0.12 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3ns1 s ILE 1021CO -0.03 0.56 -0.08 -1.00 0.00 0.00 0.00 174.94 174.39 3ns1 s HIS 1022N 0.39 2.91 -0.21 3.97 3.76 -0.26 -1.87 115.29 123.99 3ns1 s HIS 1022Ca -0.17 -0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 3ns1 s HIS 1022Cb -0.18 -1.71 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 3ns1 s HIS 1022CO 0.08 0.30 -0.07 0.08 -0.85 0.00 0.00 174.74 174.28 3ns1 s VAL 1023N -0.76 3.20 0.62 -0.90 1.01 -0.66 -1.06 120.40 121.85 3ns1 s VAL 1023Ca 0.12 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3ns1 s VAL 1023Cb -0.11 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3ns1 s VAL 1023CO 0.01 0.44 0.93 -0.31 0.00 0.00 0.00 175.10 176.18 3ns1 s TYR 1024N 1.37 3.16 -0.22 5.22 1.51 -0.12 -4.83 117.35 123.44 3ns1 s TYR 1024Ca 0.05 0.59 0.27 0.00 -1.01 0.00 0.00 57.07 56.97 3ns1 s TYR 1024Cb -0.14 -2.86 1.21 0.00 -0.11 0.00 0.00 41.96 40.05 3ns1 s TYR 1024CO -0.04 -0.98 1.82 1.79 -1.11 0.00 0.00 175.55 177.03 3ns1 h THR 1025N -0.29 0.00 -0.00 -0.71 1.35 -1.96 0.16 112.91 111.46 3ns1 h THR 1025Ca -0.45 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3ns1 h THR 1025Cb 1.27 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3ns1 h THR 1025CO 0.60 0.00 -0.05 -0.90 -0.25 0.00 0.00 175.52 174.93 3ns1 n ASP 1026N -2.51 0.46 0.00 5.36 3.85 -1.26 -4.62 116.55 117.82 3ns1 n ASP 1026Ca 0.01 -0.83 0.00 0.00 -0.71 0.00 0.00 54.79 53.26 3ns1 n ASP 1026Cb 0.21 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3ns1 n ASP 1026CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ns1 n GLY 1027N 1.18 0.86 3.81 6.12 0.00 0.57 -4.87 105.19 112.86 3ns1 n GLY 1027Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3ns1 n GLY 1027CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ns1 s SER 1028N -3.01 6.55 -0.07 1.61 1.04 -1.26 -4.80 113.70 113.76 3ns1 s SER 1028Ca 0.00 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.31 3ns1 s SER 1028Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 3ns1 s SER 1028CO 0.00 -0.64 -0.22 -0.69 0.98 0.00 0.00 173.24 172.67 3ns1 s VAL 1029N -2.07 2.29 -0.26 5.02 1.01 -0.87 -0.95 120.40 124.58 3ns1 s VAL 1029Ca 0.65 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3ns1 s VAL 1029Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3ns1 s VAL 1029CO 0.18 0.57 0.02 -0.22 0.00 0.00 0.00 175.10 175.65 3ns1 s LEU 1030N -0.10 3.44 -0.11 3.92 2.96 -0.22 -1.48 118.68 127.07 3ns1 s LEU 1030Ca -0.05 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 3ns1 s LEU 1030Cb -0.14 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3ns1 s LEU 1030CO 0.04 -0.12 0.10 -0.69 -1.32 0.00 0.00 176.35 174.36 3ns1 s VAL 1031N 1.47 5.18 -0.00 1.68 1.01 -0.57 -1.10 120.40 128.07 3ns1 s VAL 1031Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3ns1 s VAL 1031Cb -0.16 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 3ns1 s VAL 1031CO -0.00 0.61 0.02 -0.55 0.00 0.00 0.00 175.10 175.17 3ns1 s SER 1032N -0.93 0.01 0.19 3.32 0.15 -0.55 -4.33 113.70 111.56 3ns1 s SER 1032Ca 0.14 -0.02 -0.08 0.00 0.70 0.00 0.00 55.95 56.69 3ns1 s SER 1032Cb -0.12 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3ns1 s SER 1032CO 0.03 -0.04 0.29 -1.38 1.20 0.00 0.00 173.24 173.34 3ns1 s HIS 1033N -0.16 0.59 -0.44 3.44 -3.43 -1.26 -0.68 115.29 113.35 3ns1 s HIS 1033Ca -0.02 -0.92 0.22 0.00 -0.80 0.00 0.00 55.06 53.54 3ns1 s HIS 1033Cb -0.01 -0.13 0.98 0.00 -1.43 0.00 0.00 32.58 31.99 3ns1 s HIS 1033CO -0.00 -0.76 1.66 0.41 -2.00 0.00 0.00 174.74 174.04 3ns1 n GLY 1034N -0.27 -1.11 3.82 -1.38 0.00 -1.06 -4.76 105.19 100.44 3ns1 n GLY 1034Ca -0.04 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3ns1 n GLY 1034CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ns1 s GLY 1035N -3.50 2.48 0.01 -0.02 0.00 -1.26 -4.80 107.32 100.23 3ns1 s GLY 1035Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3ns1 s GLY 1035CO 0.31 0.64 0.07 -0.51 0.00 0.00 0.00 173.10 173.61 3ns1 s THR 1036N -1.98 4.65 0.01 0.90 -4.23 -1.26 -4.76 115.64 108.96 3ns1 s THR 1036Ca 0.57 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 60.33 3ns1 s THR 1036Cb -0.12 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.54 3ns1 s THR 1036CO 0.17 0.31 0.79 -0.70 -0.54 0.00 0.00 174.62 174.65 3ns1 s GLU 1037N -1.84 4.50 0.00 3.99 2.56 -1.26 -4.85 118.70 121.80 3ns1 s GLU 1037Ca 0.24 1.09 0.00 0.00 0.00 0.00 0.00 54.97 56.31 3ns1 s GLU 1037Cb -0.12 -3.40 0.01 0.00 2.00 0.00 0.00 34.13 32.61 3ns1 s GLU 1037CO 0.15 0.16 0.98 0.00 -0.56 0.00 0.00 175.26 175.99 3ns1 n MET 1038N 3.27 0.00 0.00 4.30 0.00 -1.26 -1.09 117.12 122.34 3ns1 n MET 1038Ca -0.00 -0.97 0.00 0.00 0.00 0.00 0.00 57.70 56.73 3ns1 n MET 1038Cb 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 33.22 33.26 3ns1 n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ns1 n GLY 1039N 0.01 0.84 0.04 3.17 0.00 -1.26 -3.36 105.19 104.63 3ns1 n GLY 1039Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ns1 n GLY 1039CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ns1 n GLN 1040N -1.26 0.08 -1.66 1.61 0.00 -1.26 -4.93 117.38 109.97 3ns1 n GLN 1040Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 57.00 57.13 3ns1 n GLN 1040Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 28.63 3ns1 n GLN 1040CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ns1 n GLY 1041N 1.07 0.60 0.20 2.61 0.00 -1.26 -4.99 105.19 103.43 3ns1 n GLY 1041Ca 0.06 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3ns1 n GLY 1041CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ns1 h LEU 1042N 0.00 -0.37 -0.28 0.99 5.85 -1.91 -1.69 115.31 117.90 3ns1 h LEU 1042Ca 0.00 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ns1 h LEU 1042Cb 0.80 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 3ns1 h LEU 1042CO 0.00 -0.16 -0.10 0.45 -0.34 0.00 0.00 178.44 178.29 3ns1 h HIS 1043N -0.55 -0.23 -0.70 1.25 3.86 -1.94 -0.27 115.15 116.57 3ns1 h HIS 1043Ca -0.04 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 3ns1 h HIS 1043Cb 0.41 0.14 -0.13 0.00 1.06 0.00 0.00 27.41 28.89 3ns1 h HIS 1043CO -0.02 -0.16 -0.23 1.15 0.86 0.00 0.00 177.93 179.53 3ns1 h THR 1044N -0.04 0.24 -0.49 2.45 2.02 -1.96 0.40 112.91 115.53 3ns1 h THR 1044Ca 0.14 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 3ns1 h THR 1044Cb 0.26 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3ns1 h THR 1044CO -0.32 0.00 -0.08 0.11 0.37 0.00 0.00 175.52 175.60 3ns1 h LYS 1045N -0.05 0.87 -0.47 6.66 1.57 -0.28 -1.82 116.57 123.06 3ns1 h LYS 1045Ca 0.32 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3ns1 h LYS 1045Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3ns1 h LYS 1045CO -0.74 0.92 0.01 0.52 -0.57 0.00 0.00 179.45 179.60 3ns1 h MET 1046N 0.79 0.78 -0.44 3.15 2.86 -0.31 -0.85 114.93 120.91 3ns1 h MET 1046Ca 0.13 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3ns1 h MET 1046Cb 0.59 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3ns1 h MET 1046CO 0.04 0.77 0.07 0.28 1.06 0.00 0.00 176.91 179.13 3ns1 h VAL 1047N 0.73 1.25 -0.63 -2.22 2.07 -0.75 -0.53 116.25 116.16 3ns1 h VAL 1047Ca 0.15 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3ns1 h VAL 1047Cb 0.42 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3ns1 h VAL 1047CO 0.02 0.31 0.40 1.56 0.02 0.00 0.00 177.57 179.88 3ns1 h GLN 1048N 0.59 0.85 0.35 1.57 4.20 -0.93 -1.76 115.11 119.97 3ns1 h GLN 1048Ca 0.13 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ns1 h GLN 1048Cb 0.39 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3ns1 h GLN 1048CO 0.01 0.58 -0.30 0.28 -0.67 0.00 0.00 178.83 178.73 3ns1 h VAL 1049N 0.86 0.37 -0.49 -0.54 2.07 -1.01 -2.55 116.25 114.96 3ns1 h VAL 1049Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 3ns1 h VAL 1049Cb -0.06 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.00 3ns1 h VAL 1049CO -0.05 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.64 3ns1 h ALA 1050N -0.14 0.54 -0.36 1.67 0.00 -0.98 0.09 119.26 120.07 3ns1 h ALA 1050Ca -0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ns1 h ALA 1050Cb 0.59 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ns1 h ALA 1050CO -0.03 -0.31 0.19 1.03 0.00 0.00 0.00 179.25 180.13 3ns1 h SER 1051N 0.23 0.28 -0.22 0.00 0.87 -1.30 0.13 113.55 113.54 3ns1 h SER 1051Ca 0.24 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3ns1 h SER 1051Cb 0.32 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3ns1 h SER 1051CO -0.32 0.21 0.02 0.50 -0.53 0.00 0.00 176.83 176.70 3ns1 h LYS 1052N 0.39 0.38 -0.65 2.24 3.64 -1.15 -0.44 116.57 120.98 3ns1 h LYS 1052Ca 0.15 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3ns1 h LYS 1052Cb 0.05 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 3ns1 h LYS 1052CO -0.10 0.54 0.35 0.00 -2.27 0.00 0.00 179.45 177.98 3ns1 h ALA 1053N 0.82 0.86 0.00 5.00 0.00 -0.75 -2.99 119.26 122.20 3ns1 h ALA 1053Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ns1 h ALA 1053Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ns1 h ALA 1053CO 0.01 0.02 -0.60 -0.07 0.00 0.00 0.00 179.25 178.61 3ns1 h LEU 1054N 0.65 0.00 -2.26 0.00 3.38 -0.81 -3.47 115.31 112.79 3ns1 h LEU 1054Ca 0.29 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.99 3ns1 h LEU 1054Cb 0.19 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.13 3ns1 h LEU 1054CO -0.19 0.00 -0.83 0.29 0.09 0.00 0.00 178.44 177.80 3ns1 n LYS 1055N -2.84 -3.27 -4.07 1.13 5.02 -0.21 -5.08 118.16 108.84 3ns1 n LYS 1055Ca 0.02 0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 3ns1 n LYS 1055Cb 0.54 -5.81 -0.11 0.00 -0.02 0.00 0.00 35.03 29.63 3ns1 n LYS 1055CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3ns1 s ILE 1056N -3.38 0.41 0.71 -0.18 -4.36 -0.98 -5.05 121.20 108.36 3ns1 s ILE 1056Ca 0.35 -1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 59.20 3ns1 s ILE 1056Cb -0.05 -0.95 0.03 0.00 1.25 0.00 0.00 42.46 42.74 3ns1 s ILE 1056CO 0.73 -0.65 1.20 -2.84 0.24 0.00 0.00 174.94 173.63 3ns1 s PRO 1057N -2.54 2.30 0.46 0.37 0.02 -1.26 -4.60 135.00 129.75 3ns1 s PRO 1057Ca -0.03 1.74 0.14 0.00 0.02 0.00 0.00 61.00 62.87 3ns1 s PRO 1057Cb -0.03 -1.85 1.07 0.00 0.02 0.00 0.00 34.50 33.71 3ns1 s PRO 1057CO -0.03 -1.71 2.04 -0.84 -0.33 0.00 0.00 177.00 176.14 3ns1 h ILE 1058N -0.11 0.96 0.00 2.83 3.07 -1.92 -2.41 117.51 119.94 3ns1 h ILE 1058Ca -0.48 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 65.82 3ns1 h ILE 1058Cb 1.29 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 3ns1 h ILE 1058CO 0.51 0.06 0.00 -1.54 -1.05 0.00 0.00 178.15 176.13 3ns1 n SER 1059N -4.48 0.55 -0.11 2.16 3.41 -1.26 -1.00 113.62 112.90 3ns1 n SER 1059Ca 0.05 0.74 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 3ns1 n SER 1059Cb 0.24 -0.82 0.54 0.00 -0.26 0.00 0.00 64.21 63.91 3ns1 n SER 1059CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ns1 n LYS 1060N -2.22 0.55 -4.80 4.33 5.02 -0.90 -4.92 118.16 115.22 3ns1 n LYS 1060Ca -0.01 -0.21 -0.31 0.00 -2.02 0.00 0.00 58.31 55.76 3ns1 n LYS 1060Cb 0.06 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 3ns1 n LYS 1060CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ns1 s ILE 1061N -2.60 2.61 -0.02 -0.18 1.01 -0.17 -2.04 121.20 119.81 3ns1 s ILE 1061Ca 0.24 -1.18 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3ns1 s ILE 1061Cb 0.19 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3ns1 s ILE 1061CO 0.51 0.39 0.08 -0.47 0.00 0.00 0.00 174.94 175.46 3ns1 s TYR 1062N -0.85 -0.03 -0.06 3.97 5.04 -0.55 -4.98 117.35 119.89 3ns1 s TYR 1062Ca 0.13 0.08 0.05 0.00 -2.44 0.00 0.00 57.07 54.89 3ns1 s TYR 1062Cb -0.10 -0.01 -0.00 0.00 0.35 0.00 0.00 41.96 42.19 3ns1 s TYR 1062CO 0.03 -0.10 -0.21 0.42 -1.34 0.00 0.00 175.55 174.35 3ns1 s ILE 1063N -0.37 1.75 -0.23 3.14 1.01 -1.26 -1.51 121.20 123.73 3ns1 s ILE 1063Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3ns1 s ILE 1063Cb -0.03 -1.50 -0.14 0.00 0.01 0.00 0.00 42.46 40.79 3ns1 s ILE 1063CO 0.00 0.49 -0.21 -0.24 0.00 0.00 0.00 174.94 174.99 3ns1 n SER 1064N 3.20 2.21 -3.76 3.58 2.88 -1.26 -5.06 113.62 115.41 3ns1 n SER 1064Ca -0.18 -0.08 0.04 0.00 -1.33 0.00 0.00 58.87 57.31 3ns1 n SER 1064Cb 0.52 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 3ns1 n SER 1064CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3ns1 s GLU 1065N -2.45 0.13 -0.13 -1.46 -1.05 -1.26 -4.85 118.70 107.64 3ns1 s GLU 1065Ca -0.30 -0.08 0.01 0.00 -0.15 0.00 0.00 54.97 54.44 3ns1 s GLU 1065Cb 0.08 0.04 -0.01 0.00 -0.44 0.00 0.00 34.13 33.80 3ns1 s GLU 1065CO 0.51 -0.06 -0.15 0.99 0.95 0.00 0.00 175.26 177.49 3ns1 s THR 1066N -2.07 2.80 -0.08 1.83 2.01 0.39 -4.78 115.64 115.74 3ns1 s THR 1066Ca 0.23 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 3ns1 s THR 1066Cb 0.04 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.41 3ns1 s THR 1066CO -0.04 0.53 0.23 -0.94 -0.69 0.00 0.00 174.62 173.70 3ns1 s SER 1067N 0.44 -0.23 0.01 3.53 1.04 -1.26 -0.16 113.70 117.07 3ns1 s SER 1067Ca -0.11 0.45 0.10 0.00 0.48 0.00 0.00 55.95 56.87 3ns1 s SER 1067Cb -0.16 0.46 0.44 0.00 0.10 0.00 0.00 66.02 66.86 3ns1 s SER 1067CO 0.05 -0.09 1.33 0.35 0.98 0.00 0.00 173.24 175.87 3ns1 n THR 1068N 2.92 1.30 1.18 2.02 -2.24 -0.91 -1.55 114.28 117.01 3ns1 n THR 1068Ca -0.13 0.33 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3ns1 n THR 1068Cb 0.58 -1.17 0.24 0.00 -2.10 0.00 0.00 70.33 67.89 3ns1 n THR 1068CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ns1 n ASN 1069N -1.53 2.17 -0.07 3.42 6.94 -1.26 -4.18 115.26 120.75 3ns1 n ASN 1069Ca 0.02 -1.64 -0.11 0.00 -0.02 0.00 0.00 54.58 52.83 3ns1 n ASN 1069Cb 0.12 0.09 -0.05 0.00 -2.36 0.00 0.00 39.78 37.58 3ns1 n ASN 1069CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3ns1 n THR 1070N 0.54 0.74 -3.94 5.53 -2.24 -0.59 -4.94 114.28 109.38 3ns1 n THR 1070Ca 0.15 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 3ns1 n THR 1070Cb 0.48 -1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 67.28 3ns1 n THR 1070CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ns1 s VAL 1071N -2.25 1.56 0.57 2.28 1.01 -1.05 -4.81 120.40 117.71 3ns1 s VAL 1071Ca -0.18 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 3ns1 s VAL 1071Cb 0.06 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3ns1 s VAL 1071CO 0.27 -0.13 0.90 -2.16 0.00 0.00 0.00 175.10 173.98 3ns1 s PRO 1072N 1.37 3.23 -1.38 2.72 0.04 -1.26 -4.48 135.00 135.24 3ns1 s PRO 1072Ca -0.05 0.23 -0.08 0.00 0.04 0.00 0.00 61.00 61.14 3ns1 s PRO 1072Cb -0.19 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.13 3ns1 s PRO 1072CO -0.07 -0.54 1.03 0.09 0.04 0.00 0.00 177.00 177.55 3ns1 n ASN 1073N -2.54 -4.50 -4.86 6.66 3.02 -1.26 -4.96 115.26 106.82 3ns1 n ASN 1073Ca 0.04 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.59 3ns1 n ASN 1073Cb 0.56 -4.57 -0.06 0.00 -0.61 0.00 0.00 39.78 35.11 3ns1 n ASN 1073CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ns1 s SER 1074N -3.63 6.70 0.75 6.41 1.04 -1.26 -5.03 113.70 118.68 3ns1 s SER 1074Ca 0.44 0.97 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 3ns1 s SER 1074Cb -0.21 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.72 3ns1 s SER 1074CO 0.77 0.02 1.14 -0.44 0.98 0.00 0.00 173.24 175.71 3ns1 s SER 1075N -2.06 4.33 0.46 7.02 0.01 -1.26 -4.59 113.70 117.61 3ns1 s SER 1075Ca 0.42 2.09 -0.24 0.00 1.31 0.00 0.00 55.95 59.53 3ns1 s SER 1075Cb -0.13 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 3ns1 s SER 1075CO 0.20 -2.16 1.31 -2.16 0.41 0.00 0.00 173.24 170.84 3ns1 s PRO 1076N -4.34 3.68 -0.51 12.44 0.04 -1.26 -4.89 135.00 140.16 3ns1 s PRO 1076Ca 0.67 2.13 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 3ns1 s PRO 1076Cb -0.22 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 3ns1 s PRO 1076CO 0.49 -0.73 2.20 0.99 0.04 0.00 0.00 177.00 179.99 3ns1 s THR 1077N -1.32 3.14 0.23 1.26 2.01 -0.61 -4.84 115.64 115.51 3ns1 s THR 1077Ca 0.62 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.51 3ns1 s THR 1077Cb -0.37 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 68.87 3ns1 s THR 1077CO 0.47 -0.32 0.98 0.00 -0.69 0.00 0.00 174.62 175.06 3ns1 s ALA 1078N 10.78 -1.40 -0.31 7.40 0.00 -1.26 -4.95 121.76 132.02 3ns1 s ALA 1078Ca 0.87 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3ns1 s ALA 1078Cb -0.17 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.70 3ns1 s ALA 1078CO 0.25 -1.05 0.00 0.00 0.00 0.00 0.00 175.76 174.96 3ns1 n ALA 1079N -0.66 -0.04 -0.88 0.00 0.00 -1.26 -3.22 120.51 114.44 3ns1 n ALA 1079Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ns1 n ALA 1079Cb 0.60 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3ns1 n ALA 1079CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ns1 n SER 1080N -0.79 -1.61 -0.90 0.00 7.64 -1.26 -4.37 113.62 112.32 3ns1 n SER 1080Ca -0.03 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.96 3ns1 n SER 1080Cb 0.43 -1.24 0.27 0.00 -1.01 0.00 0.00 64.21 62.67 3ns1 n SER 1080CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3ns1 n VAL 1081N -2.24 0.36 -0.25 0.44 0.24 -1.20 -4.52 118.33 111.17 3ns1 n VAL 1081Ca 0.00 -0.57 -0.06 0.00 -2.04 0.00 0.00 64.34 61.66 3ns1 n VAL 1081Cb 0.08 0.74 0.07 0.00 -1.47 0.00 0.00 33.84 33.26 3ns1 n VAL 1081CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3ns1 h SER 1082N 3.54 1.05 -0.58 -1.34 0.02 -1.90 -0.53 113.55 113.81 3ns1 h SER 1082Ca 0.00 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3ns1 h SER 1082Cb 0.78 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3ns1 h SER 1082CO 0.00 0.99 0.15 0.74 -1.14 0.00 0.00 176.83 177.57 3ns1 h THR 1083N 1.06 1.25 -0.12 -2.27 2.02 -1.97 -1.03 112.91 111.86 3ns1 h THR 1083Ca 0.22 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3ns1 h THR 1083Cb 0.34 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3ns1 h THR 1083CO -0.00 0.33 0.05 0.44 0.37 0.00 0.00 175.52 176.70 3ns1 h ASP 1084N 0.84 0.16 0.12 4.18 5.19 -1.64 -0.71 116.42 124.56 3ns1 h ASP 1084Ca 0.18 -0.17 -0.35 0.00 -0.62 0.00 0.00 57.03 56.08 3ns1 h ASP 1084Cb 0.34 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 3ns1 h ASP 1084CO 0.00 0.29 -1.89 0.16 -3.12 0.00 0.00 179.24 174.67 3ns1 h ILE 1085N 0.03 0.69 -0.08 0.35 3.07 -1.00 -2.76 117.51 117.80 3ns1 h ILE 1085Ca 0.04 -2.34 -0.13 0.00 1.55 0.00 0.00 64.86 63.97 3ns1 h ILE 1085Cb 0.17 2.51 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 3ns1 h ILE 1085CO -0.00 0.84 -0.54 1.88 -1.05 0.00 0.00 178.15 179.28 3ns1 h TYR 1086N -0.04 0.30 -0.60 0.16 -1.99 -1.33 -2.79 116.97 110.68 3ns1 h TYR 1086Ca -0.41 -0.10 0.06 0.00 2.00 0.00 0.00 58.73 60.28 3ns1 h TYR 1086Cb 1.97 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 40.58 3ns1 h TYR 1086CO 0.08 0.73 0.30 0.78 -0.00 0.00 0.00 178.16 180.05 3ns1 h GLY 1087N 1.39 0.87 0.91 3.88 0.00 -1.19 -0.15 103.07 108.77 3ns1 h GLY 1087Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3ns1 h GLY 1087CO 0.08 0.10 0.06 -1.61 0.00 0.00 0.00 176.54 175.17 3ns1 h GLN 1088N 0.56 0.55 -0.29 4.80 5.75 -1.46 -0.00 115.11 125.02 3ns1 h GLN 1088Ca 0.28 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3ns1 h GLN 1088Cb 0.22 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 3ns1 h GLN 1088CO -0.20 0.63 -0.02 0.00 -2.65 0.00 0.00 178.83 176.59 3ns1 h ALA 1089N 0.90 0.40 -0.25 3.38 0.00 -1.21 -0.37 119.26 122.11 3ns1 h ALA 1089Ca 0.10 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ns1 h ALA 1089Cb 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ns1 h ALA 1089CO 0.01 0.17 -0.00 0.28 0.00 0.00 0.00 179.25 179.71 3ns1 h VAL 1090N 0.32 0.82 -0.82 0.00 2.07 -0.99 -2.42 116.25 115.23 3ns1 h VAL 1090Ca 0.08 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.75 3ns1 h VAL 1090Cb 0.47 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 3ns1 h VAL 1090CO 0.02 0.01 0.33 0.22 0.02 0.00 0.00 177.57 178.17 3ns1 h TYR 1091N 0.08 0.55 -0.29 1.57 3.20 -0.73 -1.90 116.97 119.46 3ns1 h TYR 1091Ca 0.12 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3ns1 h TYR 1091Cb 0.15 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3ns1 h TYR 1091CO -0.20 0.00 -0.28 0.93 -1.64 0.00 0.00 178.16 176.98 3ns1 h GLU 1092N 0.42 0.58 -0.49 1.82 4.39 -0.64 -2.62 114.58 118.03 3ns1 h GLU 1092Ca 0.48 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 3ns1 h GLU 1092Cb 0.83 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 3ns1 h GLU 1092CO -0.47 0.80 0.03 0.00 -1.16 0.00 0.00 179.01 178.20 3ns1 h ALA 1093N 1.19 1.12 -0.49 3.43 0.00 -0.95 -2.75 119.26 120.82 3ns1 h ALA 1093Ca 0.07 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3ns1 h ALA 1093Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ns1 h ALA 1093CO 0.06 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 3ns1 h GLN 1095N 0.84 0.01 -0.98 0.00 1.08 -1.32 0.89 115.11 115.62 3ns1 h GLN 1095Ca 0.12 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.45 3ns1 h GLN 1095Cb 0.75 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.09 3ns1 h GLN 1095CO 0.06 0.00 0.61 1.15 -0.95 0.00 0.00 178.83 179.70 3ns1 h THR 1096N 0.01 0.87 -0.33 -0.54 2.02 -1.42 0.10 112.91 113.62 3ns1 h THR 1096Ca 0.02 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3ns1 h THR 1096Cb 0.03 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.30 3ns1 h THR 1096CO -0.04 0.17 -0.10 0.40 0.37 0.00 0.00 175.52 176.31 3ns1 h ILE 1097N 0.92 1.28 -0.62 3.11 2.04 -0.76 -2.73 117.51 120.76 3ns1 h ILE 1097Ca 0.50 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 3ns1 h ILE 1097Cb 0.56 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3ns1 h ILE 1097CO -0.29 0.38 0.17 -0.07 0.00 0.00 0.00 178.15 178.34 3ns1 h LEU 1098N 0.43 0.89 -0.77 1.44 3.38 0.25 -1.60 115.31 119.33 3ns1 h LEU 1098Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3ns1 h LEU 1098Cb 0.61 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3ns1 h LEU 1098CO 0.04 0.85 0.34 0.11 0.09 0.00 0.00 178.44 179.87 3ns1 h LYS 1099N 0.92 1.13 0.00 1.13 1.57 -0.83 -1.58 116.57 118.90 3ns1 h LYS 1099Ca 0.20 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3ns1 h LYS 1099Cb 0.30 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3ns1 h LYS 1099CO -0.00 0.90 -0.57 0.00 -0.57 0.00 0.00 179.45 179.21 3ns1 h ARG 1100N 1.10 0.00 0.00 3.15 3.08 -1.15 -3.02 114.38 117.54 3ns1 h ARG 1100Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3ns1 h ARG 1100Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3ns1 h ARG 1100CO -0.03 0.57 -0.25 1.28 -1.07 0.00 0.00 179.97 180.47 3ns1 n LEU 1101N -3.80 0.55 -0.19 3.04 4.77 -0.63 -4.40 117.00 116.34 3ns1 n LEU 1101Ca -0.01 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3ns1 n LEU 1101Cb 0.58 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3ns1 n LEU 1101CO 0.41 -0.06 1.01 -0.08 -1.33 0.00 0.00 177.39 177.34 3ns1 h GLU 1102N 0.00 0.46 0.00 3.23 4.57 -1.15 -2.01 114.58 119.68 3ns1 h GLU 1102Ca 0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3ns1 h GLU 1102Cb 0.65 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3ns1 h GLU 1102CO 0.00 0.31 -0.12 -1.35 -1.18 0.00 0.00 179.01 176.67 3ns1 h PRO 1103N 0.48 0.00 -0.08 0.92 0.11 -1.79 -2.33 132.00 129.31 3ns1 h PRO 1103Ca 0.27 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.15 3ns1 h PRO 1103Cb 0.25 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.38 3ns1 h PRO 1103CO -0.23 0.12 -0.86 0.74 -0.21 0.00 0.00 178.00 177.56 3ns1 h PHE 1104N 0.00 1.01 -0.86 0.65 -1.00 -1.67 -2.22 116.94 112.85 3ns1 h PHE 1104Ca -0.00 -0.50 0.02 0.00 2.81 0.00 0.00 57.97 60.31 3ns1 h PHE 1104Cb 0.23 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.61 3ns1 h PHE 1104CO 0.00 1.33 0.57 -0.22 -1.61 0.00 0.00 178.31 178.38 3ns1 h LYS 1105N 0.41 1.07 -0.57 1.51 3.64 -1.30 -0.71 116.57 120.63 3ns1 h LYS 1105Ca -0.09 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 3ns1 h LYS 1105Cb 1.51 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3ns1 h LYS 1105CO 0.17 0.71 -0.02 0.87 -2.27 0.00 0.00 179.45 178.91 3ns1 h LYS 1106N 1.11 1.00 -0.58 1.90 1.57 -1.24 -1.75 116.57 118.57 3ns1 h LYS 1106Ca 0.33 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3ns1 h LYS 1106Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3ns1 h LYS 1106CO -0.09 0.99 0.05 0.87 -0.57 0.00 0.00 179.45 180.70 3ns1 h LYS 1107N 0.91 0.97 -2.12 3.15 1.57 -0.66 -3.36 116.57 117.04 3ns1 h LYS 1107Ca 0.16 -0.27 -0.54 0.00 -1.87 0.00 0.00 60.65 58.14 3ns1 h LYS 1107Cb 0.56 -0.11 -0.41 0.00 0.08 0.00 0.00 32.23 32.35 3ns1 h LYS 1107CO 0.03 0.93 -0.94 -1.71 -0.57 0.00 0.00 179.45 177.19 3ns1 n ASN 1108N -4.21 2.32 0.29 0.86 2.85 -0.37 -4.95 115.26 112.05 3ns1 n ASN 1108Ca 0.03 -3.26 0.18 0.00 -0.11 0.00 0.00 54.58 51.43 3ns1 n ASN 1108Cb 0.30 -0.60 0.98 0.00 1.24 0.00 0.00 39.78 41.70 3ns1 n ASN 1108CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ns1 h PRO 1109N 3.17 0.00 -0.73 1.20 0.13 -1.47 -1.33 132.00 132.97 3ns1 h PRO 1109Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ns1 h PRO 1109Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ns1 h PRO 1109CO 0.64 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 3ns1 n ASP 1110N -3.53 3.96 -2.68 1.44 8.00 -1.26 -4.99 116.55 117.49 3ns1 n ASP 1110Ca -0.02 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.38 3ns1 n ASP 1110Cb 0.16 -0.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.84 3ns1 n ASP 1110CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ns1 n GLY 1111N 1.66 -1.11 3.90 0.44 0.00 -0.50 -5.11 105.19 104.46 3ns1 n GLY 1111Ca 0.25 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 3ns1 n GLY 1111CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ns1 s SER 1112N -2.68 5.08 0.19 1.61 1.04 -1.26 -5.00 113.70 112.68 3ns1 s SER 1112Ca 0.26 -0.76 -0.19 0.00 0.48 0.00 0.00 55.95 55.74 3ns1 s SER 1112Cb -0.01 -0.44 0.15 0.00 0.10 0.00 0.00 66.02 65.82 3ns1 s SER 1112CO 0.18 -0.74 1.60 -0.25 0.98 0.00 0.00 173.24 175.00 3ns1 h TRP 1113N 0.92 -0.78 -0.96 5.02 2.91 -1.99 -1.89 115.95 119.18 3ns1 h TRP 1113Ca -0.40 0.07 0.19 0.00 1.13 0.00 0.00 58.89 59.87 3ns1 h TRP 1113Cb 1.27 0.43 -0.11 0.00 -0.51 0.00 0.00 29.16 30.25 3ns1 h TRP 1113CO 0.54 -0.36 0.55 0.93 -1.03 0.00 0.00 178.44 179.07 3ns1 h GLU 1114N -0.13 0.67 -0.15 2.65 3.07 -1.93 -0.82 114.58 117.94 3ns1 h GLU 1114Ca 0.25 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 3ns1 h GLU 1114Cb 0.54 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3ns1 h GLU 1114CO -0.67 0.44 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.90 3ns1 h ASP 1115N 0.69 0.29 -0.81 1.42 3.32 -1.75 -2.40 116.42 117.17 3ns1 h ASP 1115Ca 0.55 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3ns1 h ASP 1115Cb 0.87 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 3ns1 h ASP 1115CO -0.40 0.60 0.41 -0.50 -1.72 0.00 0.00 179.24 177.64 3ns1 h TRP 1116N -0.03 1.16 0.13 4.55 6.55 -0.86 -1.40 115.95 126.06 3ns1 h TRP 1116Ca 0.04 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 3ns1 h TRP 1116Cb 0.48 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 3ns1 h TRP 1116CO 0.06 0.83 -0.06 0.28 -1.05 0.00 0.00 178.44 178.49 3ns1 h VAL 1117N 1.16 0.89 -0.56 1.49 2.07 -1.14 -1.46 116.25 118.71 3ns1 h VAL 1117Ca 0.29 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 3ns1 h VAL 1117Cb 0.09 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3ns1 h VAL 1117CO -0.04 0.02 0.22 -0.03 0.02 0.00 0.00 177.57 177.76 3ns1 h MET 1118N -0.22 0.82 -0.03 1.57 1.85 -1.27 -0.96 114.93 116.69 3ns1 h MET 1118Ca -0.02 -0.13 -0.18 0.00 -0.61 0.00 0.00 59.70 58.77 3ns1 h MET 1118Cb 0.18 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 3ns1 h MET 1118CO 0.03 0.68 -0.77 0.00 -0.40 0.00 0.00 176.91 176.45 3ns1 h ALA 1119N 1.43 0.65 -0.77 0.39 0.00 -1.21 -1.48 119.26 118.27 3ns1 h ALA 1119Ca 0.19 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3ns1 h ALA 1119Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ns1 h ALA 1119CO -0.02 0.84 0.34 0.00 0.00 0.00 0.00 179.25 180.42 3ns1 h ALA 1120N 1.06 1.15 -0.34 0.00 0.00 -0.87 -2.25 119.26 118.02 3ns1 h ALA 1120Ca -0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ns1 h ALA 1120Cb 1.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ns1 h ALA 1120CO 0.12 0.63 0.03 -0.92 0.00 0.00 0.00 179.25 179.11 3ns1 h TYR 1121N 1.11 0.62 0.00 0.00 3.20 -0.98 -2.29 116.97 118.63 3ns1 h TYR 1121Ca 0.26 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3ns1 h TYR 1121Cb 0.15 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3ns1 h TYR 1121CO 0.02 0.66 0.00 1.04 -1.64 0.00 0.00 178.16 178.24 3ns1 n GLN 1122N -4.56 0.18 -0.60 1.82 6.02 -0.58 -1.66 117.38 118.00 3ns1 n GLN 1122Ca -0.02 0.28 0.08 0.00 -0.01 0.00 0.00 57.00 57.33 3ns1 n GLN 1122Cb 0.24 -1.77 0.32 0.00 1.02 0.00 0.00 30.24 30.05 3ns1 n GLN 1122CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ns1 n ASP 1123N -2.10 4.60 -3.63 1.08 2.03 -0.85 -4.98 116.55 112.69 3ns1 n ASP 1123Ca 0.04 -2.77 -0.24 0.00 0.52 0.00 0.00 54.79 52.34 3ns1 n ASP 1123Cb 0.32 -0.57 0.07 0.00 -0.72 0.00 0.00 41.12 40.22 3ns1 n ASP 1123CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ns1 n ARG 1124N 0.32 -7.44 -3.72 -0.67 1.74 -0.66 -4.99 116.66 101.23 3ns1 n ARG 1124Ca 0.24 0.79 -0.36 0.00 -0.77 0.00 0.00 57.85 57.75 3ns1 n ARG 1124Cb 0.95 -5.82 -0.10 0.00 -1.02 0.00 0.00 32.46 26.47 3ns1 n ARG 1124CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ns1 s VAL 1125N -3.33 5.10 0.28 1.55 1.01 -0.89 -5.07 120.40 119.05 3ns1 s VAL 1125Ca 0.52 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 3ns1 s VAL 1125Cb -0.24 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3ns1 s VAL 1125CO 0.75 0.35 1.38 -0.55 0.00 0.00 0.00 175.10 177.03 3ns1 s SER 1126N 1.14 6.70 -0.42 3.32 0.15 -1.26 -4.44 113.70 118.87 3ns1 s SER 1126Ca 0.06 2.68 0.04 0.00 0.70 0.00 0.00 55.95 59.43 3ns1 s SER 1126Cb -0.14 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.01 3ns1 s SER 1126CO 0.05 -0.64 1.55 0.18 1.20 0.00 0.00 173.24 175.57 3ns1 n LEU 1127N 1.68 5.77 -3.92 3.45 4.77 -1.26 -4.96 117.00 122.53 3ns1 n LEU 1127Ca 0.04 -4.39 -0.17 0.00 -0.03 0.00 0.00 56.01 51.45 3ns1 n LEU 1127Cb 0.41 -0.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 3ns1 n LEU 1127CO 0.60 1.72 -0.40 -0.55 -1.33 0.00 0.00 177.39 177.43 3ns1 s SER 1128N -2.76 0.71 0.02 -1.43 0.15 -1.26 -1.66 113.70 107.47 3ns1 s SER 1128Ca 0.55 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.88 3ns1 s SER 1128Cb 0.45 -0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.59 3ns1 s SER 1128CO 0.02 0.00 0.51 0.28 1.20 0.00 0.00 173.24 175.25 3ns1 s THR 1129N 0.38 0.03 1.05 6.45 -1.32 -0.78 -5.03 115.64 116.43 3ns1 s THR 1129Ca -0.04 -0.26 -0.18 0.00 -1.21 0.00 0.00 61.69 60.00 3ns1 s THR 1129Cb -0.08 -0.93 0.24 0.00 -1.51 0.00 0.00 72.50 70.22 3ns1 s THR 1129CO -0.00 -0.14 1.30 0.42 -2.21 0.00 0.00 174.62 173.99 3ns1 s THR 1130N -2.08 1.89 -0.09 5.08 -4.23 -1.26 -1.51 115.64 113.44 3ns1 s THR 1130Ca -0.07 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.13 3ns1 s THR 1130Cb -0.01 -2.89 0.09 0.00 1.34 0.00 0.00 72.50 71.03 3ns1 s THR 1130CO 0.01 0.00 0.78 -0.83 -0.54 0.00 0.00 174.62 174.04 3ns1 s GLY 1131N -4.75 -0.48 -0.06 3.99 0.00 -0.69 -4.31 107.32 101.03 3ns1 s GLY 1131Ca 0.76 1.57 -0.15 0.00 0.00 0.00 0.00 44.72 46.89 3ns1 s GLY 1131CO 0.54 1.01 0.35 -0.12 0.00 0.00 0.00 173.10 174.89 3ns1 s PHE 1132N -1.11 -0.28 -0.05 1.90 5.36 -1.26 -0.66 117.98 121.88 3ns1 s PHE 1132Ca -0.08 0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 56.39 3ns1 s PHE 1132Cb -0.00 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 3ns1 s PHE 1132CO 0.07 -0.35 0.15 -0.47 -1.46 0.00 0.00 175.22 173.17 3ns1 s TYR 1133N -0.84 -0.12 -0.16 10.12 5.04 0.17 -4.68 117.35 126.87 3ns1 s TYR 1133Ca -0.09 0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 54.83 3ns1 s TYR 1133Cb -0.04 0.03 0.04 0.00 0.35 0.00 0.00 41.96 42.34 3ns1 s TYR 1133CO 0.03 -0.12 -0.07 0.50 -1.34 0.00 0.00 175.55 174.55 3ns1 s ARG 1134N -0.23 1.59 0.11 4.97 3.52 -1.26 -1.44 118.95 126.21 3ns1 s ARG 1134Ca -0.03 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 54.74 3ns1 s ARG 1134Cb -0.03 -1.99 -0.09 0.00 -1.56 0.00 0.00 34.95 31.28 3ns1 s ARG 1134CO 0.00 -0.39 1.69 0.99 -0.81 0.00 0.00 175.30 176.79 3ns1 s THR 1135N 1.61 2.74 0.44 4.11 2.01 -0.94 -4.99 115.64 120.62 3ns1 s THR 1135Ca 0.02 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 3ns1 s THR 1135Cb -0.15 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 3ns1 s THR 1135CO -0.08 0.01 0.89 -2.16 -0.69 0.00 0.00 174.62 172.58 3ns1 s PRO 1136N 2.28 3.96 -1.31 4.92 0.04 -1.26 -4.47 135.00 139.16 3ns1 s PRO 1136Ca 0.75 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 3ns1 s PRO 1136Cb -0.43 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3ns1 s PRO 1136CO 0.33 -0.11 0.52 0.09 0.04 0.00 0.00 177.00 177.87 3ns1 n ASN 1137N -1.17 -5.43 -4.75 6.66 3.02 -1.26 -5.00 115.26 107.32 3ns1 n ASN 1137Ca 0.05 -0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.02 3ns1 n ASN 1137Cb 0.54 -4.27 -0.08 0.00 -0.61 0.00 0.00 39.78 35.37 3ns1 n ASN 1137CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ns1 s LEU 1138N -5.70 3.80 0.00 3.41 1.43 -1.26 -4.40 118.68 115.96 3ns1 s LEU 1138Ca 0.26 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3ns1 s LEU 1138Cb -0.11 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.97 3ns1 s LEU 1138CO 0.32 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.81 3ns1 n GLY 1139N 1.42 0.14 3.81 -3.19 0.00 0.29 -4.94 105.19 102.72 3ns1 n GLY 1139Ca -0.15 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3ns1 n GLY 1139CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ns1 s TYR 1140N 0.00 3.67 -0.14 1.61 5.04 -1.12 -4.12 117.35 122.29 3ns1 s TYR 1140Ca 0.00 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 56.05 3ns1 s TYR 1140Cb 0.00 -2.63 -0.00 0.00 0.35 0.00 0.00 41.96 39.67 3ns1 s TYR 1140CO 0.00 0.35 -0.17 0.45 -1.34 0.00 0.00 175.55 174.84 3ns1 s SER 1141N -1.60 3.59 0.56 4.32 0.15 0.90 -4.98 113.70 116.63 3ns1 s SER 1141Ca 0.42 -0.47 0.35 0.00 0.70 0.00 0.00 55.95 56.95 3ns1 s SER 1141Cb -0.17 -1.54 1.48 0.00 -1.71 0.00 0.00 66.02 64.08 3ns1 s SER 1141CO 0.21 0.11 2.03 -0.26 1.20 0.00 0.00 173.24 176.53 3ns1 h PHE 1142N 7.08 0.00 -2.41 3.44 -1.00 -1.95 -2.55 116.94 119.56 3ns1 h PHE 1142Ca -0.29 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 59.98 3ns1 h PHE 1142Cb 1.20 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 3ns1 h PHE 1142CO 0.50 0.01 -0.46 -1.21 -1.61 0.00 0.00 178.31 175.53 3ns1 s GLU 1143N -3.73 3.36 0.00 1.51 8.01 -1.26 -4.29 118.70 122.31 3ns1 s GLU 1143Ca 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 54.97 54.27 3ns1 s GLU 1143Cb 0.09 -2.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.03 3ns1 s GLU 1143CO 0.53 0.48 0.00 0.25 0.01 0.00 0.00 175.26 176.53 3ns1 n THR 1144N -0.90 0.00 -3.48 3.63 -2.24 -1.26 -4.32 114.28 105.71 3ns1 n THR 1144Ca -0.08 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3ns1 n THR 1144Cb 0.55 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.86 3ns1 n THR 1144CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ns1 n ASN 1145N 0.76 -2.36 -3.38 3.42 5.15 -0.97 -4.99 115.26 112.89 3ns1 n ASN 1145Ca 0.00 -0.68 -0.08 0.00 -0.60 0.00 0.00 54.58 53.22 3ns1 n ASN 1145Cb 0.00 -4.87 0.00 0.00 -0.53 0.00 0.00 39.78 34.38 3ns1 n ASN 1145CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3ns1 s SER 1146N -4.25 -0.10 0.00 1.20 1.04 -1.17 -4.46 113.70 105.96 3ns1 s SER 1146Ca 0.05 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3ns1 s SER 1146Cb -0.01 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.90 3ns1 s SER 1146CO 0.75 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3ns1 n GLY 1147N -0.50 -1.58 3.70 7.32 0.00 -1.26 -0.07 105.19 112.79 3ns1 n GLY 1147Ca -0.06 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 3ns1 n GLY 1147CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ns1 s ASN 1148N -1.98 6.51 -0.05 1.61 0.01 -1.26 -4.19 114.94 115.59 3ns1 s ASN 1148Ca 0.00 2.65 0.07 0.00 -0.71 0.00 0.00 52.86 54.87 3ns1 s ASN 1148Cb 0.00 -2.57 -0.24 0.00 0.41 0.00 0.00 41.25 38.85 3ns1 s ASN 1148CO 0.00 -0.93 0.63 0.00 -1.51 0.00 0.00 177.10 175.29 3ns1 h ALA 1149N 8.03 0.65 -2.33 0.60 0.00 -1.90 0.90 119.26 125.20 3ns1 h ALA 1149Ca -0.44 -1.41 -0.57 0.00 0.00 0.00 0.00 54.91 52.49 3ns1 h ALA 1149Cb 1.21 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 19.35 3ns1 h ALA 1149CO 0.94 1.48 -0.76 -0.06 0.00 0.00 0.00 179.25 180.85 3ns1 s PHE 1150N -2.59 2.13 -0.00 0.00 0.40 -1.26 -4.76 117.98 111.89 3ns1 s PHE 1150Ca -0.09 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.77 3ns1 s PHE 1150Cb 0.08 -0.95 -0.30 0.00 0.51 0.00 0.00 43.02 42.36 3ns1 s PHE 1150CO 0.81 0.59 0.85 1.25 0.70 0.00 0.00 175.22 179.43 3ns1 h HIS 1151N 2.47 0.63 -2.64 0.36 -0.00 -1.59 -3.48 115.15 110.89 3ns1 h HIS 1151Ca -0.40 -0.46 0.13 0.00 -0.00 0.00 0.00 60.37 59.64 3ns1 h HIS 1151Cb 1.24 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 3ns1 h HIS 1151CO 0.77 1.49 0.55 1.52 -0.00 0.00 0.00 177.93 182.26 3ns1 s TYR 1152N -2.61 0.10 0.02 5.26 -0.85 -1.26 -5.04 117.35 112.97 3ns1 s TYR 1152Ca -0.11 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 55.98 3ns1 s TYR 1152Cb 0.06 0.73 -0.02 0.00 0.38 0.00 0.00 41.96 43.10 3ns1 s TYR 1152CO 0.87 -1.04 -0.25 -0.06 -1.52 0.00 0.00 175.55 173.55 3ns1 s PHE 1153N -2.08 2.25 -0.10 -3.49 0.40 -1.26 -1.84 117.98 111.85 3ns1 s PHE 1153Ca 0.22 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 3ns1 s PHE 1153Cb -0.03 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 3ns1 s PHE 1153CO 0.07 0.05 0.10 0.99 0.70 0.00 0.00 175.22 177.13 3ns1 s THR 1154N -0.71 5.16 0.15 0.64 2.01 -0.79 -4.92 115.64 117.18 3ns1 s THR 1154Ca 0.11 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.22 3ns1 s THR 1154Cb -0.10 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3ns1 s THR 1154CO 0.01 0.60 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.10 3ns1 s TYR 1155N -1.01 1.39 0.06 4.92 1.51 -1.25 -1.33 117.35 121.63 3ns1 s TYR 1155Ca 0.15 -0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 55.29 3ns1 s TYR 1155Cb -0.12 -0.70 0.10 0.00 -0.11 0.00 0.00 41.96 41.13 3ns1 s TYR 1155CO 0.04 0.15 1.14 0.20 -1.11 0.00 0.00 175.55 175.97 3ns1 s GLY 1156N -2.90 -0.33 -0.05 0.71 0.00 -0.98 -0.73 107.32 103.04 3ns1 s GLY 1156Ca 0.14 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.29 3ns1 s GLY 1156CO 0.03 0.08 0.13 0.14 0.00 0.00 0.00 173.10 173.47 3ns1 s VAL 1157N -2.82 -0.02 0.01 1.40 1.01 -0.37 -1.00 120.40 118.61 3ns1 s VAL 1157Ca 0.13 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3ns1 s VAL 1157Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3ns1 s VAL 1157CO -0.01 0.03 -0.12 0.00 0.00 0.00 0.00 175.10 175.00 3ns1 s ALA 1158N 0.52 0.99 -0.09 5.51 0.00 -0.36 -1.00 121.76 127.32 3ns1 s ALA 1158Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.34 3ns1 s ALA 1158Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3ns1 s ALA 1158CO -0.02 0.21 -0.22 0.00 0.00 0.00 0.00 175.76 175.72 3ns1 s SER 1160N 0.37 1.21 -0.06 0.00 0.01 -0.97 -0.99 113.70 113.27 3ns1 s SER 1160Ca -0.17 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.56 3ns1 s SER 1160Cb -0.17 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.05 3ns1 s SER 1160CO 0.08 -0.14 -0.17 -0.70 0.41 0.00 0.00 173.24 172.72 3ns1 s GLU 1161N -1.61 1.98 0.17 12.44 2.12 0.03 -2.11 118.70 131.72 3ns1 s GLU 1161Ca -0.06 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.73 3ns1 s GLU 1161Cb -0.10 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 3ns1 s GLU 1161CO 0.01 0.18 -0.14 0.14 -0.54 0.00 0.00 175.26 174.91 3ns1 s VAL 1162N 0.25 1.55 -0.14 3.70 -7.23 -0.81 -0.56 120.40 117.16 3ns1 s VAL 1162Ca -0.09 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 3ns1 s VAL 1162Cb -0.14 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.94 3ns1 s VAL 1162CO 0.04 -0.56 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.36 3ns1 s GLU 1163N -3.36 2.97 -0.01 4.82 2.12 -0.20 -2.14 118.70 122.90 3ns1 s GLU 1163Ca 0.18 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.65 3ns1 s GLU 1163Cb -0.02 -2.42 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 3ns1 s GLU 1163CO 0.05 -0.04 0.16 0.96 -0.54 0.00 0.00 175.26 175.85 3ns1 s ILE 1164N 0.88 5.27 -0.51 -3.70 -4.36 -0.12 -0.08 121.20 118.59 3ns1 s ILE 1164Ca -0.05 -0.22 -0.16 0.00 -0.26 0.00 0.00 60.65 59.96 3ns1 s ILE 1164Cb -0.15 -3.46 0.09 0.00 1.25 0.00 0.00 42.46 40.20 3ns1 s ILE 1164CO -0.03 0.33 0.47 -0.62 0.24 0.00 0.00 174.94 175.33 3ns1 s ASP 1165N -1.90 6.17 0.64 4.36 -1.08 0.65 -2.09 116.67 123.43 3ns1 s ASP 1165Ca 0.26 -1.48 0.43 0.00 -0.52 0.00 0.00 52.55 51.24 3ns1 s ASP 1165Cb -0.12 -2.21 2.27 0.00 -1.46 0.00 0.00 42.92 41.39 3ns1 s ASP 1165CO 0.18 -0.78 2.30 0.00 0.52 0.00 0.00 175.17 177.40 3ns1 h LEU 1167N 0.00 0.00 0.00 0.00 3.38 -1.93 -3.42 115.31 113.34 3ns1 h LEU 1167Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ns1 h LEU 1167Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3ns1 h LEU 1167CO 0.00 0.20 -1.14 0.35 0.09 0.00 0.00 178.44 177.94 3ns1 n THR 1168N -2.86 0.13 0.00 0.22 -2.24 -0.79 -5.02 114.28 103.71 3ns1 n THR 1168Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3ns1 n THR 1168Cb 0.64 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3ns1 n THR 1168CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 1169N 2.81 3.14 3.64 3.38 0.00 0.14 -4.76 105.19 113.54 3ns1 n GLY 1169Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3ns1 n GLY 1169CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ns1 n ASP 1170N 0.00 0.96 -3.79 1.61 8.00 -1.25 -4.35 116.55 117.73 3ns1 n ASP 1170Ca 0.00 0.74 -0.12 0.00 0.71 0.00 0.00 54.79 56.13 3ns1 n ASP 1170Cb 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 41.12 39.58 3ns1 n ASP 1170CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 3ns1 s HIS 1171N -1.63 -0.07 0.00 1.24 -3.43 -1.26 -0.25 115.29 109.90 3ns1 s HIS 1171Ca 0.77 -0.04 0.03 0.00 -0.80 0.00 0.00 55.06 55.02 3ns1 s HIS 1171Cb -0.37 0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 30.80 3ns1 s HIS 1171CO 0.46 -0.45 -0.05 0.15 -2.00 0.00 0.00 174.74 172.86 3ns1 s LYS 1172N -2.21 2.60 -0.44 -0.38 1.02 0.89 -4.97 119.74 116.24 3ns1 s LYS 1172Ca -0.07 -0.70 -0.16 0.00 0.02 0.00 0.00 55.97 55.05 3ns1 s LYS 1172Cb -0.02 -2.54 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3ns1 s LYS 1172CO -0.01 0.61 0.39 -0.80 -0.92 0.00 0.00 175.35 174.61 3ns1 s ASN 1173N -1.47 6.15 -0.13 2.83 0.01 -1.26 -1.03 114.94 120.04 3ns1 s ASN 1173Ca 0.18 -0.95 -0.19 0.00 -0.71 0.00 0.00 52.86 51.18 3ns1 s ASN 1173Cb -0.11 -2.19 -0.25 0.00 0.41 0.00 0.00 41.25 39.10 3ns1 s ASN 1173CO 0.08 -0.57 0.52 -0.07 -1.51 0.00 0.00 177.10 175.55 3ns1 h LEU 1174N 8.87 0.23 -7.00 0.60 3.38 -1.18 -1.75 115.31 118.46 3ns1 h LEU 1174Ca -0.27 -0.80 -0.02 0.00 0.09 0.00 0.00 57.88 56.88 3ns1 h LEU 1174Cb 1.11 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 3ns1 h LEU 1174CO 0.80 1.48 0.12 -0.60 0.09 0.00 0.00 178.44 180.33 3ns1 s ARG 1175N -2.41 0.78 -0.04 1.13 3.52 -1.13 -1.70 118.95 119.11 3ns1 s ARG 1175Ca -0.22 1.04 0.02 0.00 -0.13 0.00 0.00 55.73 56.45 3ns1 s ARG 1175Cb 0.03 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.76 3ns1 s ARG 1175CO 0.72 -0.11 -0.09 0.99 -0.81 0.00 0.00 175.30 175.99 3ns1 s THR 1176N 0.75 0.87 -0.07 4.11 2.01 0.15 -0.79 115.64 122.67 3ns1 s THR 1176Ca -0.03 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.66 3ns1 s THR 1176Cb -0.05 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 3ns1 s THR 1176CO -0.06 0.29 -0.22 -1.81 -0.69 0.00 0.00 174.62 172.13 3ns1 s ASP 1177N 0.54 3.32 -0.07 3.53 1.01 -0.16 -0.74 116.67 124.10 3ns1 s ASP 1177Ca -0.10 -0.45 0.03 0.00 0.71 0.00 0.00 52.55 52.74 3ns1 s ASP 1177Cb -0.13 -1.02 0.01 0.00 1.01 0.00 0.00 42.92 42.79 3ns1 s ASP 1177CO 0.02 0.24 -0.16 -0.63 0.21 0.00 0.00 175.17 174.84 3ns1 s ILE 1178N -0.10 1.42 -0.24 0.77 1.01 0.40 -0.92 121.20 123.54 3ns1 s ILE 1178Ca -0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3ns1 s ILE 1178Cb -0.14 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3ns1 s ILE 1178CO 0.04 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 174.62 3ns1 s VAL 1179N 0.44 2.64 -0.08 2.92 1.01 -0.17 -0.98 120.40 126.17 3ns1 s VAL 1179Ca -0.13 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.78 3ns1 s VAL 1179Cb -0.15 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3ns1 s VAL 1179CO 0.05 0.23 -0.16 -0.32 0.00 0.00 0.00 175.10 174.89 3ns1 s MET 1180N 1.29 2.82 -0.49 2.72 0.00 -0.54 -1.24 119.30 123.86 3ns1 s MET 1180Ca -0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 55.69 54.78 3ns1 s MET 1180Cb -0.16 -2.42 0.07 0.00 0.00 0.00 0.00 34.83 32.32 3ns1 s MET 1180CO -0.06 0.43 0.48 0.34 0.00 0.00 0.00 175.02 176.21 3ns1 s ASP 1181N -0.23 6.17 -0.25 1.11 2.15 0.10 -0.95 116.67 124.77 3ns1 s ASP 1181Ca 0.00 -1.24 0.10 0.00 0.43 0.00 0.00 52.55 51.84 3ns1 s ASP 1181Cb -0.13 -2.22 0.46 0.00 -0.30 0.00 0.00 42.92 40.73 3ns1 s ASP 1181CO 0.03 -0.74 1.33 1.33 -0.17 0.00 0.00 175.17 176.95 3ns1 n VAL 1182N 5.34 2.37 -3.07 1.11 0.24 -1.26 -3.96 118.33 119.10 3ns1 n VAL 1182Ca -0.11 -3.06 0.00 0.00 -2.04 0.00 0.00 64.34 59.13 3ns1 n VAL 1182Cb 0.44 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 3ns1 n VAL 1182CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ns1 n GLY 1183N -1.12 1.30 3.50 7.63 0.00 -1.26 -2.71 105.19 112.53 3ns1 n GLY 1183Ca 0.26 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 3ns1 n GLY 1183CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ns1 s SER 1184N -4.00 6.31 0.32 1.61 0.01 -0.59 -4.79 113.70 112.57 3ns1 s SER 1184Ca 0.00 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 3ns1 s SER 1184Cb 0.00 -2.38 -0.11 0.00 0.21 0.00 0.00 66.02 63.73 3ns1 s SER 1184CO 0.00 -1.08 1.55 -0.24 0.41 0.00 0.00 173.24 173.88 3ns1 n SER 1185N 6.96 3.80 0.24 2.44 2.88 -1.25 -3.25 113.62 125.44 3ns1 n SER 1185Ca -0.01 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 3ns1 n SER 1185Cb 0.47 -1.60 0.47 0.00 -0.75 0.00 0.00 64.21 62.80 3ns1 n SER 1185CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3ns1 h LEU 1186N 4.12 0.00 -5.98 2.46 3.38 -1.91 -3.33 115.31 114.05 3ns1 h LEU 1186Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3ns1 h LEU 1186Cb 1.23 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.79 3ns1 h LEU 1186CO 0.74 0.11 -0.41 0.21 0.09 0.00 0.00 178.44 179.18 3ns1 s ASN 1187N -6.01 -1.53 0.44 -0.43 3.84 -1.26 -1.08 114.94 108.92 3ns1 s ASN 1187Ca 0.02 -0.40 0.17 0.00 0.21 0.00 0.00 52.86 52.86 3ns1 s ASN 1187Cb 0.09 1.95 1.10 0.00 -0.55 0.00 0.00 41.25 43.83 3ns1 s ASN 1187CO 0.61 -0.21 1.93 -0.65 -2.79 0.00 0.00 177.10 175.99 3ns1 h PRO 1188N 7.33 0.35 -0.18 0.43 0.11 -1.81 0.78 132.00 139.00 3ns1 h PRO 1188Ca 0.02 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3ns1 h PRO 1188Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ns1 h PRO 1188CO 0.11 0.23 -0.32 0.00 -0.21 0.00 0.00 178.00 177.81 3ns1 h ALA 1189N 1.66 0.28 -0.37 -0.75 0.00 -1.89 0.41 119.26 118.60 3ns1 h ALA 1189Ca 0.35 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ns1 h ALA 1189Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3ns1 h ALA 1189CO -0.10 0.32 0.11 0.82 0.00 0.00 0.00 179.25 180.40 3ns1 h ILE 1190N 0.19 1.21 -0.61 0.00 1.08 -1.62 -1.84 117.51 115.92 3ns1 h ILE 1190Ca 0.01 -0.71 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 3ns1 h ILE 1190Cb 0.91 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 3ns1 h ILE 1190CO 0.07 0.24 0.22 0.44 -0.69 0.00 0.00 178.15 178.44 3ns1 h ASP 1191N 0.45 0.86 -0.76 1.72 3.32 -0.66 -0.64 116.42 120.72 3ns1 h ASP 1191Ca 0.12 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3ns1 h ASP 1191Cb 0.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3ns1 h ASP 1191CO -0.00 0.82 0.34 0.40 -1.72 0.00 0.00 179.24 179.07 3ns1 h ILE 1192N 0.86 1.25 -0.91 0.35 2.04 -0.18 -1.82 117.51 119.10 3ns1 h ILE 1192Ca 0.20 -0.73 0.16 0.00 1.00 0.00 0.00 64.86 65.49 3ns1 h ILE 1192Cb 0.24 0.33 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 3ns1 h ILE 1192CO -0.01 0.30 0.50 1.23 0.00 0.00 0.00 178.15 180.17 3ns1 h GLY 1193N 1.08 1.53 1.67 5.37 0.00 -0.63 -1.65 103.07 110.42 3ns1 h GLY 1193Ca 0.26 -0.29 -0.20 0.00 0.00 0.00 0.00 47.33 47.10 3ns1 h GLY 1193CO -0.03 -0.05 -0.83 1.46 0.00 0.00 0.00 176.54 177.10 3ns1 h GLN 1194N 0.67 0.31 -0.08 4.80 1.08 -0.66 -1.87 115.11 119.35 3ns1 h GLN 1194Ca 0.51 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3ns1 h GLN 1194Cb 0.74 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3ns1 h GLN 1194CO -0.37 0.98 0.03 0.28 -0.95 0.00 0.00 178.83 178.79 3ns1 h VAL 1195N 0.19 1.16 -0.50 -0.54 2.07 -0.76 -1.35 116.25 116.51 3ns1 h VAL 1195Ca -0.05 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3ns1 h VAL 1195Cb 1.43 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 3ns1 h VAL 1195CO 0.14 0.14 0.16 -0.33 0.02 0.00 0.00 177.57 177.70 3ns1 h GLU 1196N -0.05 0.78 0.33 1.57 5.08 -1.34 -2.00 114.58 118.95 3ns1 h GLU 1196Ca 0.03 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3ns1 h GLU 1196Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ns1 h GLU 1196CO -0.00 0.73 -0.16 0.78 -1.00 0.00 0.00 179.01 179.36 3ns1 h GLY 1197N 0.68 -0.46 0.24 -3.84 0.00 -1.34 -1.63 103.07 96.72 3ns1 h GLY 1197Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.74 3ns1 h GLY 1197CO -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 176.54 176.26 3ns1 h ALA 1198N -0.12 0.20 -0.88 3.60 0.00 -1.29 -2.05 119.26 118.72 3ns1 h ALA 1198Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ns1 h ALA 1198Cb 0.48 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3ns1 h ALA 1198CO 0.07 -0.48 0.57 0.35 0.00 0.00 0.00 179.25 179.77 3ns1 h PHE 1199N -0.03 1.08 0.00 0.00 3.57 -1.32 -2.00 116.94 118.24 3ns1 h PHE 1199Ca 0.17 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3ns1 h PHE 1199Cb 0.30 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3ns1 h PHE 1199CO -0.34 0.64 -0.42 0.28 -2.23 0.00 0.00 178.31 176.24 3ns1 h VAL 1200N 1.13 1.17 -0.07 1.41 2.07 -0.85 0.03 116.25 121.14 3ns1 h VAL 1200Ca 0.34 -1.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.24 3ns1 h VAL 1200Cb -0.04 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3ns1 h VAL 1200CO -0.10 0.41 -0.56 1.56 0.02 0.00 0.00 177.57 178.90 3ns1 h GLN 1201N 0.00 0.22 -0.21 1.57 4.20 -0.77 -1.80 115.11 118.32 3ns1 h GLN 1201Ca -0.00 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 3ns1 h GLN 1201Cb 0.80 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 3ns1 h GLN 1201CO 0.05 0.72 -0.25 0.78 -0.67 0.00 0.00 178.83 179.46 3ns1 h GLY 1202N 1.44 0.59 0.39 3.46 0.00 -0.71 -1.85 103.07 106.40 3ns1 h GLY 1202Ca -0.00 -0.62 0.14 0.00 0.00 0.00 0.00 47.33 46.84 3ns1 h GLY 1202CO 0.09 0.56 0.63 -2.00 0.00 0.00 0.00 176.54 175.82 3ns1 h LEU 1203N 0.22 0.90 -0.21 3.11 5.85 -0.95 -1.04 115.31 123.20 3ns1 h LEU 1203Ca 0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ns1 h LEU 1203Cb 0.81 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ns1 h LEU 1203CO 0.06 0.45 0.14 1.23 -0.34 0.00 0.00 178.44 179.98 3ns1 h GLY 1204N 0.95 0.29 0.77 3.75 0.00 -1.21 -2.53 103.07 105.10 3ns1 h GLY 1204Ca 0.52 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.78 3ns1 h GLY 1204CO -0.29 0.11 0.36 -2.00 0.00 0.00 0.00 176.54 174.72 3ns1 h LEU 1205N 0.28 0.56 0.00 3.11 5.85 -0.42 0.13 115.31 124.83 3ns1 h LEU 1205Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ns1 h LEU 1205Cb -0.03 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3ns1 h LEU 1205CO -0.02 0.38 -0.41 0.49 -0.34 0.00 0.00 178.44 178.54 3ns1 n PHE 1206N -4.77 0.04 0.00 1.25 0.99 -0.49 -4.35 117.46 110.13 3ns1 n PHE 1206Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 3ns1 n PHE 1206Cb 0.13 -0.33 0.00 0.00 -1.00 0.00 0.00 39.48 38.28 3ns1 n PHE 1206CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3ns1 n THR 1207N -1.54 0.00 -0.12 4.37 -2.24 -0.96 -0.97 114.28 112.81 3ns1 n THR 1207Ca 0.06 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 3ns1 n THR 1207Cb 0.34 -0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.30 3ns1 n THR 1207CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ns1 n LEU 1208N -1.79 2.76 -4.73 3.22 4.32 -0.84 -3.83 117.00 116.10 3ns1 n LEU 1208Ca 0.00 -0.02 -0.38 0.00 -0.02 0.00 0.00 56.01 55.59 3ns1 n LEU 1208Cb 0.03 -0.91 -0.06 0.00 -1.62 0.00 0.00 43.42 40.87 3ns1 n LEU 1208CO 0.00 0.86 0.23 -1.61 -1.22 0.00 0.00 177.39 175.65 3ns1 s GLU 1209N -2.52 4.34 -0.15 3.23 2.02 0.40 -4.61 118.70 121.42 3ns1 s GLU 1209Ca -0.35 0.57 -0.05 0.00 0.02 0.00 0.00 54.97 55.17 3ns1 s GLU 1209Cb 0.10 -3.42 0.07 0.00 0.10 0.00 0.00 34.13 30.98 3ns1 s GLU 1209CO 0.59 0.19 0.30 -2.00 0.02 0.00 0.00 175.26 174.36 3ns1 s GLU 1210N 0.48 0.19 0.04 1.61 2.12 -1.26 -4.69 118.70 117.20 3ns1 s GLU 1210Ca 0.29 0.82 -0.19 0.00 0.36 0.00 0.00 54.97 56.25 3ns1 s GLU 1210Cb -0.16 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.22 3ns1 s GLU 1210CO 0.13 -0.28 0.56 -0.51 -0.54 0.00 0.00 175.26 174.63 3ns1 s LEU 1211N 2.47 4.49 -0.03 2.70 1.43 -1.26 -4.85 118.68 123.61 3ns1 s LEU 1211Ca 0.01 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 3ns1 s LEU 1211Cb -0.12 -2.88 0.03 0.00 0.03 0.00 0.00 46.19 43.25 3ns1 s LEU 1211CO -0.10 0.22 -0.01 -2.28 0.23 0.00 0.00 176.35 174.42 3ns1 s HIS 1212N -0.79 0.42 0.19 0.29 2.46 -1.26 -5.00 115.29 111.59 3ns1 s HIS 1212Ca 0.29 -0.05 0.07 0.00 0.47 0.00 0.00 55.06 55.84 3ns1 s HIS 1212Cb -0.19 -0.48 -0.04 0.00 -0.13 0.00 0.00 32.58 31.74 3ns1 s HIS 1212CO 0.18 -0.15 0.07 0.71 -2.47 0.00 0.00 174.74 173.08 3ns1 s TYR 1213N 1.04 2.97 0.70 3.88 1.51 -1.26 -1.18 117.35 125.01 3ns1 s TYR 1213Ca -0.10 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 3ns1 s TYR 1213Cb -0.14 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3ns1 s TYR 1213CO -0.01 0.53 1.07 -1.54 -1.11 0.00 0.00 175.55 174.49 3ns1 s SER 1214N -3.15 5.16 0.54 2.29 1.04 0.80 -4.91 113.70 115.49 3ns1 s SER 1214Ca 0.30 1.75 0.30 0.00 0.48 0.00 0.00 55.95 58.78 3ns1 s SER 1214Cb -0.09 -2.51 1.47 0.00 0.10 0.00 0.00 66.02 64.98 3ns1 s SER 1214CO 0.21 -1.59 1.90 -0.65 0.98 0.00 0.00 173.24 174.09 3ns1 h PRO 1215N -0.57 0.00 -0.14 4.02 0.11 -2.01 0.98 132.00 134.38 3ns1 h PRO 1215Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ns1 h PRO 1215Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ns1 h PRO 1215CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 3ns1 n GLU 1216N -4.20 1.43 -1.00 1.05 4.71 -1.26 -4.91 120.64 116.47 3ns1 n GLU 1216Ca 0.16 -0.66 0.00 0.00 -0.01 0.00 0.00 57.16 56.65 3ns1 n GLU 1216Cb 0.88 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 30.06 3ns1 n GLU 1216CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ns1 n GLY 1217N 0.90 0.52 3.73 0.62 0.00 0.34 -4.39 105.19 106.91 3ns1 n GLY 1217Ca 0.11 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 3ns1 n GLY 1217CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ns1 s SER 1218N -2.82 6.32 0.05 1.61 0.15 -1.25 -4.61 113.70 113.15 3ns1 s SER 1218Ca 0.00 0.37 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 3ns1 s SER 1218Cb 0.00 -2.14 -0.06 0.00 -1.71 0.00 0.00 66.02 62.12 3ns1 s SER 1218CO 0.00 0.13 1.24 -0.22 1.20 0.00 0.00 173.24 175.59 3ns1 s LEU 1219N 0.44 4.35 -0.12 3.45 2.96 -1.26 -0.14 118.68 128.37 3ns1 s LEU 1219Ca 0.12 2.03 0.06 0.00 -0.22 0.00 0.00 54.13 56.13 3ns1 s LEU 1219Cb -0.12 -3.58 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3ns1 s LEU 1219CO 0.01 -0.53 0.36 1.41 -1.32 0.00 0.00 176.35 176.28 3ns1 n HIS 1220N 4.21 0.80 -3.12 5.38 8.25 -0.32 -4.85 115.22 125.57 3ns1 n HIS 1220Ca 0.10 0.23 -0.44 0.00 -0.26 0.00 0.00 57.72 57.34 3ns1 n HIS 1220Cb 0.46 -1.13 -0.05 0.00 1.12 0.00 0.00 29.99 30.39 3ns1 n HIS 1220CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ns1 s THR 1221N -2.56 4.83 -0.02 1.59 -4.23 -1.25 -4.89 115.64 109.11 3ns1 s THR 1221Ca -0.15 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.67 3ns1 s THR 1221Cb 0.07 -4.42 0.13 0.00 1.34 0.00 0.00 72.50 69.63 3ns1 s THR 1221CO 0.78 -1.00 1.06 0.54 -0.54 0.00 0.00 174.62 175.45 3ns1 n ARG 1222N 6.31 0.20 -3.78 3.99 1.74 -1.26 -4.90 116.66 118.96 3ns1 n ARG 1222Ca -0.08 -1.46 -0.03 0.00 -0.77 0.00 0.00 57.85 55.52 3ns1 n ARG 1222Cb 0.44 -0.56 -0.00 0.00 -1.02 0.00 0.00 32.46 31.32 3ns1 n ARG 1222CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ns1 s GLY 1223N -1.49 -0.14 0.02 -0.13 0.00 -1.26 -3.71 107.32 100.61 3ns1 s GLY 1223Ca 0.12 0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.94 3ns1 s GLY 1223CO -0.03 0.80 1.24 -1.55 0.00 0.00 0.00 173.10 173.56 3ns1 n PRO 1224N -0.55 0.01 0.00 2.90 -0.04 -1.26 -1.73 135.00 134.33 3ns1 n PRO 1224Ca -0.05 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 3ns1 n PRO 1224Cb 0.60 -1.52 0.20 0.00 -0.04 0.00 0.00 33.50 32.75 3ns1 n PRO 1224CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ns1 n SER 1225N -1.54 0.91 0.00 3.54 3.41 -1.26 -4.10 113.62 114.59 3ns1 n SER 1225Ca 0.02 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 3ns1 n SER 1225Cb 0.08 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3ns1 n SER 1225CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ns1 n THR 1226N -1.07 0.00 -3.88 6.66 -2.24 -0.99 -4.96 114.28 107.81 3ns1 n THR 1226Ca 0.08 -0.46 -0.28 0.00 -2.27 0.00 0.00 64.05 61.12 3ns1 n THR 1226Cb 0.35 0.99 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 3ns1 n THR 1226CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ns1 s TYR 1227N -0.97 1.65 -0.35 4.78 5.04 -0.71 -4.88 117.35 121.91 3ns1 s TYR 1227Ca 0.00 -1.07 -0.11 0.00 -2.44 0.00 0.00 57.07 53.45 3ns1 s TYR 1227Cb 0.00 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 41.03 3ns1 s TYR 1227CO 0.00 -0.61 0.20 0.15 -1.34 0.00 0.00 175.55 173.94 3ns1 s LYS 1228N 1.65 3.07 0.30 4.97 -0.14 -1.26 -4.35 119.74 123.98 3ns1 s LYS 1228Ca 0.00 -0.91 0.02 0.00 -1.36 0.00 0.00 55.97 53.72 3ns1 s LYS 1228Cb -0.15 -3.70 -0.03 0.00 -1.68 0.00 0.00 37.83 32.26 3ns1 s LYS 1228CO -0.08 -0.58 0.47 0.96 -0.76 0.00 0.00 175.35 175.36 3ns1 s ILE 1229N 1.60 5.16 0.39 2.17 -4.36 -1.26 -3.84 121.20 121.06 3ns1 s ILE 1229Ca 0.03 -0.60 -0.25 0.00 -0.26 0.00 0.00 60.65 59.57 3ns1 s ILE 1229Cb -0.18 -3.84 -0.11 0.00 1.25 0.00 0.00 42.46 39.57 3ns1 s ILE 1229CO 0.07 -0.44 1.00 -2.65 0.24 0.00 0.00 174.94 173.16 3ns1 n PRO 1230N -1.52 1.35 -4.38 0.37 -0.02 -1.26 -5.03 135.00 124.51 3ns1 n PRO 1230Ca -0.06 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.61 3ns1 n PRO 1230Cb 0.56 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 3ns1 n PRO 1230CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ns1 s ALA 1231N -1.24 4.09 0.26 3.55 0.00 -1.26 -4.98 121.76 122.19 3ns1 s ALA 1231Ca 0.62 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 3ns1 s ALA 1231Cb -0.58 -0.26 0.56 0.00 0.00 0.00 0.00 23.12 22.84 3ns1 s ALA 1231CO 0.58 -0.18 1.72 0.74 0.00 0.00 0.00 175.76 178.62 3ns1 h PHE 1232N 1.19 0.61 -0.03 0.00 -1.00 -2.01 -0.14 116.94 115.56 3ns1 h PHE 1232Ca -0.41 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.40 3ns1 h PHE 1232Cb 1.30 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.72 3ns1 h PHE 1232CO 1.18 0.05 0.00 0.41 -1.61 0.00 0.00 178.31 178.34 3ns1 n GLY 1233N -1.33 -0.56 0.20 -1.45 0.00 -1.26 -3.69 105.19 97.10 3ns1 n GLY 1233Ca 0.18 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.03 3ns1 n GLY 1233CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ns1 h SER 1234N 0.90 0.00 -4.02 1.61 0.02 -1.39 -3.48 113.55 107.19 3ns1 h SER 1234Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 3ns1 h SER 1234Cb 0.19 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.77 3ns1 h SER 1234CO 0.00 0.08 0.28 0.27 -1.14 0.00 0.00 176.83 176.32 3ns1 s ILE 1235N -3.19 4.76 0.24 3.27 -4.36 -1.24 -4.81 121.20 115.87 3ns1 s ILE 1235Ca 0.06 0.69 -0.30 0.00 -0.26 0.00 0.00 60.65 60.83 3ns1 s ILE 1235Cb 0.06 -3.83 -0.10 0.00 1.25 0.00 0.00 42.46 39.83 3ns1 s ILE 1235CO 0.69 -0.92 1.50 -2.84 0.24 0.00 0.00 174.94 173.61 3ns1 s PRO 1236N -4.74 4.22 0.29 0.37 0.02 -1.26 -4.83 135.00 129.07 3ns1 s PRO 1236Ca 0.53 2.38 0.03 0.00 0.02 0.00 0.00 61.00 63.96 3ns1 s PRO 1236Cb -0.11 -3.10 0.64 0.00 0.02 0.00 0.00 34.50 31.96 3ns1 s PRO 1236CO 0.46 -0.51 1.80 1.15 -0.33 0.00 0.00 177.00 179.57 3ns1 h THR 1237N 3.60 0.80 -3.68 0.99 2.02 -1.22 -3.31 112.91 112.11 3ns1 h THR 1237Ca -0.45 -0.29 -0.69 0.00 0.77 0.00 0.00 66.41 65.75 3ns1 h THR 1237Cb 1.22 -0.13 -0.33 0.00 -1.74 0.00 0.00 68.15 67.16 3ns1 h THR 1237CO 0.81 0.16 -0.65 -1.61 0.37 0.00 0.00 175.52 174.59 3ns1 s GLU 1238N -5.91 2.29 -0.30 6.66 0.41 -0.69 -5.01 118.70 116.16 3ns1 s GLU 1238Ca -0.12 -1.43 -0.01 0.00 -0.41 0.00 0.00 54.97 53.00 3ns1 s GLU 1238Cb 0.24 -3.32 0.05 0.00 -1.78 0.00 0.00 34.13 29.32 3ns1 s GLU 1238CO 0.80 -0.76 -0.01 0.12 -0.49 0.00 0.00 175.26 174.92 3ns1 s PHE 1239N 1.22 3.27 -0.13 1.61 5.99 -1.25 -0.67 117.98 128.02 3ns1 s PHE 1239Ca -0.01 -1.94 0.02 0.00 0.00 0.00 0.00 56.93 55.01 3ns1 s PHE 1239Cb -0.21 -2.11 0.01 0.00 0.00 0.00 0.00 43.02 40.72 3ns1 s PHE 1239CO -0.02 -0.82 -0.18 1.03 -0.00 0.00 0.00 175.22 175.24 3ns1 s ARG 1240N 1.23 2.58 -0.09 10.12 0.52 0.08 -5.01 118.95 128.38 3ns1 s ARG 1240Ca -0.05 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3ns1 s ARG 1240Cb -0.20 -2.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.11 3ns1 s ARG 1240CO -0.02 -0.07 -0.23 0.08 0.02 0.00 0.00 175.30 175.09 3ns1 s VAL 1241N 0.99 1.95 -0.02 3.52 1.01 -1.26 -0.46 120.40 126.12 3ns1 s VAL 1241Ca -0.05 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3ns1 s VAL 1241Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3ns1 s VAL 1241CO -0.03 0.54 -0.18 -0.44 0.00 0.00 0.00 175.10 174.98 3ns1 s SER 1242N 0.30 2.21 -0.02 3.32 0.01 -0.15 -4.99 113.70 114.38 3ns1 s SER 1242Ca -0.16 -0.35 -0.20 0.00 1.31 0.00 0.00 55.95 56.55 3ns1 s SER 1242Cb -0.17 -0.36 -0.05 0.00 0.21 0.00 0.00 66.02 65.65 3ns1 s SER 1242CO 0.08 0.21 0.59 -0.76 0.41 0.00 0.00 173.24 173.76 3ns1 s LEU 1243N -0.30 4.39 0.37 2.44 1.43 -1.26 -1.47 118.68 124.28 3ns1 s LEU 1243Ca 0.04 1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.98 3ns1 s LEU 1243Cb -0.09 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.14 3ns1 s LEU 1243CO 0.00 0.07 1.31 -0.22 0.23 0.00 0.00 176.35 177.74 3ns1 s LEU 1244N -0.02 4.31 0.32 1.79 2.96 -0.12 -4.92 118.68 123.01 3ns1 s LEU 1244Ca 0.31 2.68 0.05 0.00 -0.22 0.00 0.00 54.13 56.95 3ns1 s LEU 1244Cb -0.18 -3.78 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 3ns1 s LEU 1244CO 0.16 -0.70 0.47 -0.13 -1.32 0.00 0.00 176.35 174.83 3ns1 s ARG 1245N -2.03 3.22 -1.28 1.98 0.52 -1.26 -4.70 118.95 115.40 3ns1 s ARG 1245Ca 0.53 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.81 3ns1 s ARG 1245Cb -0.39 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 3ns1 s ARG 1245CO 0.51 0.13 0.62 -0.25 0.02 0.00 0.00 175.30 176.33 3ns1 n ASP 1246N -1.64 -2.46 -3.08 0.23 8.00 -1.26 -4.95 116.55 111.38 3ns1 n ASP 1246Ca -0.03 -0.97 -0.19 0.00 0.71 0.00 0.00 54.79 54.31 3ns1 n ASP 1246Cb 0.58 -3.38 -0.03 0.00 -0.02 0.00 0.00 41.12 38.27 3ns1 n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ns1 n PRO 1248N 1.09 2.08 -3.34 0.00 -0.04 -1.26 -4.04 135.00 129.49 3ns1 n PRO 1248Ca 0.19 0.74 -0.43 0.00 -0.04 0.00 0.00 63.50 63.95 3ns1 n PRO 1248Cb 0.59 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.54 3ns1 n PRO 1248CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3ns1 s ASN 1249N -0.44 6.18 0.58 3.54 2.47 -0.42 -4.92 114.94 121.92 3ns1 s ASN 1249Ca 0.59 -0.81 0.30 0.00 0.42 0.00 0.00 52.86 53.36 3ns1 s ASN 1249Cb -0.51 -2.21 1.43 0.00 -1.45 0.00 0.00 41.25 38.51 3ns1 s ASN 1249CO 0.59 -0.59 1.83 0.11 -3.72 0.00 0.00 177.10 175.32 3ns1 h LYS 1250N 8.74 0.00 -0.00 0.43 1.57 -1.92 -3.27 116.57 122.11 3ns1 h LYS 1250Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3ns1 h LYS 1250Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3ns1 h LYS 1250CO 0.81 0.00 -0.44 1.63 -0.57 0.00 0.00 179.45 180.87 3ns1 n LYS 1251N -3.80 0.34 -4.20 3.15 4.76 -1.26 -4.94 118.16 112.21 3ns1 n LYS 1251Ca 0.13 -0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 3ns1 n LYS 1251Cb 0.87 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.46 3ns1 n LYS 1251CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ns1 s ALA 1252N -2.80 1.17 -0.01 7.82 0.00 -1.23 -5.08 121.76 121.62 3ns1 s ALA 1252Ca 0.16 -1.67 -0.38 0.00 0.00 0.00 0.00 51.96 50.07 3ns1 s ALA 1252Cb 0.18 1.26 -0.16 0.00 0.00 0.00 0.00 23.12 24.40 3ns1 s ALA 1252CO 0.64 -0.56 1.46 1.51 0.00 0.00 0.00 175.76 178.81 3ns1 n ILE 1253N -0.26 0.09 -4.02 0.00 0.13 -1.26 -1.59 119.36 112.45 3ns1 n ILE 1253Ca 0.00 -0.02 -0.33 0.00 -1.10 0.00 0.00 62.75 61.31 3ns1 n ILE 1253Cb 0.66 -0.95 -0.04 0.00 -0.84 0.00 0.00 39.64 38.46 3ns1 n ILE 1253CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3ns1 n TYR 1254N 3.36 -1.57 -1.22 9.51 0.53 -1.26 -1.72 117.16 124.80 3ns1 n TYR 1254Ca 0.21 0.62 -0.08 0.00 -1.02 0.00 0.00 57.90 57.63 3ns1 n TYR 1254Cb 0.18 -2.35 -0.03 0.00 -1.03 0.00 0.00 39.34 36.10 3ns1 n TYR 1254CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3ns1 n ALA 1255N -3.92 -0.11 -1.94 -0.72 0.00 -0.62 -4.78 120.51 108.41 3ns1 n ALA 1255Ca 0.07 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 3ns1 n ALA 1255Cb 0.48 -1.40 0.20 0.00 0.00 0.00 0.00 19.45 18.73 3ns1 n ALA 1255CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ns1 s SER 1256N -2.39 2.93 0.02 0.00 1.04 -0.70 -1.30 113.70 113.30 3ns1 s SER 1256Ca 0.00 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 3ns1 s SER 1256Cb 0.00 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 3ns1 s SER 1256CO 0.00 -2.84 -0.03 -0.54 0.98 0.00 0.00 173.24 170.81 3ns1 s LYS 1257N -5.91 0.35 0.34 4.02 1.02 -1.10 -4.46 119.74 114.00 3ns1 s LYS 1257Ca 0.76 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 3ns1 s LYS 1257Cb -0.02 0.12 -0.11 0.00 -0.52 0.00 0.00 37.83 37.30 3ns1 s LYS 1257CO 0.53 -0.06 1.56 0.00 -0.92 0.00 0.00 175.35 176.46 3ns1 n ALA 1258N 1.39 2.55 0.00 5.17 0.00 -1.26 -4.90 120.51 123.46 3ns1 n ALA 1258Ca -0.23 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3ns1 n ALA 1258Cb 0.56 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3ns1 n ALA 1258CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ns1 n VAL 1259N 1.29 0.00 -0.35 0.00 3.14 -1.26 -4.87 118.33 116.29 3ns1 n VAL 1259Ca 0.05 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.33 3ns1 n VAL 1259Cb 0.38 -0.35 -0.07 0.00 -1.06 0.00 0.00 33.84 32.74 3ns1 n VAL 1259CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3ns1 h GLY 1260N 0.00 -0.68 0.12 7.55 0.00 -1.92 -3.34 103.07 104.80 3ns1 h GLY 1260Ca 0.00 0.72 -0.38 0.00 0.00 0.00 0.00 47.33 47.67 3ns1 h GLY 1260CO 0.00 -0.04 -2.37 1.18 0.00 0.00 0.00 176.54 175.31 3ns1 n GLU 1261N -5.32 0.67 -0.32 4.80 1.02 -1.26 -4.63 120.64 115.59 3ns1 n GLU 1261Ca 0.02 0.13 0.28 0.00 -0.02 0.00 0.00 57.16 57.57 3ns1 n GLU 1261Cb 0.31 -1.56 0.60 0.00 -0.02 0.00 0.00 31.44 30.77 3ns1 n GLU 1261CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ns1 h PRO 1262N 0.01 0.23 0.00 3.49 0.11 -1.90 -1.97 132.00 131.97 3ns1 h PRO 1262Ca -0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3ns1 h PRO 1262Cb 2.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 33.06 3ns1 h PRO 1262CO -0.03 0.15 0.00 -1.00 -0.21 0.00 0.00 178.00 176.91 3ns1 h PRO 1263N 0.24 0.00 -0.69 1.05 0.14 -1.82 -3.36 132.00 127.55 3ns1 h PRO 1263Ca 0.59 0.00 0.11 0.00 0.14 0.00 0.00 66.00 66.84 3ns1 h PRO 1263Cb 1.81 0.00 -0.08 0.00 0.14 0.00 0.00 31.00 32.87 3ns1 h PRO 1263CO -0.20 0.00 0.30 1.25 0.14 0.00 0.00 178.00 179.49 3ns1 h LEU 1264N 0.00 0.33 -2.20 1.56 6.46 -1.54 -0.74 115.31 119.19 3ns1 h LEU 1264Ca 0.00 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 3ns1 h LEU 1264Cb 0.78 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.75 3ns1 h LEU 1264CO 0.00 0.17 0.09 0.15 -0.62 0.00 0.00 178.44 178.24 3ns1 h PHE 1265N 0.49 0.00 -0.03 1.25 3.57 -1.77 -2.82 116.94 117.63 3ns1 h PHE 1265Ca 0.36 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.87 3ns1 h PHE 1265Cb 0.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3ns1 h PHE 1265CO -0.14 0.00 0.04 -0.07 -2.23 0.00 0.00 178.31 175.90 3ns1 h LEU 1266N 0.00 0.00 -1.53 0.59 3.38 -1.39 -0.95 115.31 115.42 3ns1 h LEU 1266Ca 0.05 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3ns1 h LEU 1266Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ns1 h LEU 1266CO -0.00 0.00 0.58 1.23 0.09 0.00 0.00 178.44 180.34 3ns1 h GLY 1267N 0.00 0.00 2.00 0.83 0.00 -1.65 -0.22 103.07 104.04 3ns1 h GLY 1267Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3ns1 h GLY 1267CO -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 3ns1 h ALA 1268N 1.05 1.05 -0.77 3.60 0.00 -1.41 -1.64 119.26 121.14 3ns1 h ALA 1268Ca 0.11 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.11 3ns1 h ALA 1268Cb 1.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3ns1 h ALA 1268CO -0.00 0.08 0.51 0.66 0.00 0.00 0.00 179.25 180.51 3ns1 h SER 1269N 0.00 0.38 -0.49 0.00 4.64 -1.25 0.44 113.55 117.28 3ns1 h SER 1269Ca -0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3ns1 h SER 1269Cb 0.46 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3ns1 h SER 1269CO 0.01 0.19 0.10 0.58 -0.87 0.00 0.00 176.83 176.85 3ns1 h VAL 1270N 0.41 1.24 -0.38 0.95 2.07 -1.50 -0.93 116.25 118.12 3ns1 h VAL 1270Ca 0.38 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ns1 h VAL 1270Cb 0.89 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3ns1 h VAL 1270CO -0.12 0.31 0.22 0.15 0.02 0.00 0.00 177.57 178.15 3ns1 h PHE 1271N 0.67 0.42 0.00 1.57 3.57 -1.08 -1.63 116.94 120.46 3ns1 h PHE 1271Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3ns1 h PHE 1271Cb 0.35 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3ns1 h PHE 1271CO 0.02 0.25 -0.18 0.74 -2.23 0.00 0.00 178.31 176.91 3ns1 h PHE 1272N 0.46 0.00 -0.35 0.41 -1.00 -1.04 -1.81 116.94 113.60 3ns1 h PHE 1272Ca 0.15 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.79 3ns1 h PHE 1272Cb -0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3ns1 h PHE 1272CO -0.07 0.18 -0.31 0.00 -1.61 0.00 0.00 178.31 176.50 3ns1 h ALA 1273N 1.82 0.51 -0.53 2.45 0.00 -0.87 -2.08 119.26 120.56 3ns1 h ALA 1273Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3ns1 h ALA 1273Cb 0.93 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3ns1 h ALA 1273CO 0.02 0.55 0.29 0.82 0.00 0.00 0.00 179.25 180.94 3ns1 h ILE 1274N 0.61 1.01 -0.68 0.00 2.04 -1.05 -1.71 117.51 117.73 3ns1 h ILE 1274Ca 0.06 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 3ns1 h ILE 1274Cb 0.89 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3ns1 h ILE 1274CO 0.08 0.11 0.16 0.50 0.00 0.00 0.00 178.15 179.00 3ns1 h LYS 1275N 0.58 1.09 -0.78 2.37 3.64 -1.30 0.09 116.57 122.25 3ns1 h LYS 1275Ca 0.22 -0.26 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3ns1 h LYS 1275Cb 0.08 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 3ns1 h LYS 1275CO -0.13 0.96 0.46 0.22 -2.27 0.00 0.00 179.45 178.70 3ns1 h ASP 1276N 1.03 0.71 -0.49 4.20 3.58 -1.24 -2.22 116.42 122.00 3ns1 h ASP 1276Ca 0.22 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.61 3ns1 h ASP 1276Cb 0.36 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3ns1 h ASP 1276CO 0.00 0.45 -0.03 0.00 -2.88 0.00 0.00 179.24 176.78 3ns1 h ALA 1277N 1.39 0.66 -0.72 -0.78 0.00 -0.35 -2.89 119.26 116.58 3ns1 h ALA 1277Ca 0.35 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3ns1 h ALA 1277Cb 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3ns1 h ALA 1277CO -0.19 0.49 0.47 0.82 0.00 0.00 0.00 179.25 180.85 3ns1 h ILE 1278N 0.73 0.95 -0.30 0.00 2.04 -0.83 -1.91 117.51 118.18 3ns1 h ILE 1278Ca 0.13 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 3ns1 h ILE 1278Cb 0.55 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3ns1 h ILE 1278CO 0.03 0.12 -0.32 0.03 0.00 0.00 0.00 178.15 178.00 3ns1 h ARG 1279N 0.63 0.65 -0.38 2.37 3.08 -1.19 0.17 114.38 119.70 3ns1 h ARG 1279Ca 0.33 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3ns1 h ARG 1279Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3ns1 h ARG 1279CO -0.11 0.89 -0.23 0.00 -1.07 0.00 0.00 179.97 179.44 3ns1 h ALA 1280N 1.09 0.55 -0.76 0.04 0.00 -1.33 -0.63 119.26 118.21 3ns1 h ALA 1280Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ns1 h ALA 1280Cb 0.82 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3ns1 h ALA 1280CO 0.07 0.53 0.42 0.00 0.00 0.00 0.00 179.25 180.27 3ns1 h ALA 1281N 0.79 1.31 -0.36 0.00 0.00 -0.91 -0.56 119.26 119.53 3ns1 h ALA 1281Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3ns1 h ALA 1281Cb 0.80 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ns1 h ALA 1281CO 0.07 0.57 -0.34 0.00 0.00 0.00 0.00 179.25 179.54 3ns1 h ARG 1282N 1.06 0.83 -0.49 0.00 3.08 -0.45 -2.15 114.38 116.25 3ns1 h ARG 1282Ca 0.27 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3ns1 h ARG 1282Cb 0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3ns1 h ARG 1282CO -0.04 1.04 0.13 0.00 -1.07 0.00 0.00 179.97 180.03 3ns1 h ALA 1283N 0.91 1.30 0.79 0.04 0.00 -0.67 -0.15 119.26 121.47 3ns1 h ALA 1283Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3ns1 h ALA 1283Cb 0.90 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ns1 h ALA 1283CO 0.08 0.49 -0.38 0.37 0.00 0.00 0.00 179.25 179.82 3ns1 h GLN 1284N 0.72 -1.02 0.00 0.00 5.75 -0.84 -3.42 115.11 116.31 3ns1 h GLN 1284Ca 0.16 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3ns1 h GLN 1284Cb 0.25 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.03 3ns1 h GLN 1284CO -0.00 -0.66 -0.82 0.72 -2.65 0.00 0.00 178.83 175.41 3ns1 n HIS 1285N -5.52 0.00 -0.06 3.99 8.25 -0.83 -4.92 115.22 116.12 3ns1 n HIS 1285Ca -0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.25 3ns1 n HIS 1285Cb 0.43 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3ns1 n HIS 1285CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3ns1 n THR 1286N -1.45 1.44 -3.33 1.59 5.66 -0.07 -4.65 114.28 113.46 3ns1 n THR 1286Ca 0.00 0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 3ns1 n THR 1286Cb 0.16 -2.18 0.00 0.00 -1.55 0.00 0.00 70.33 66.76 3ns1 n THR 1286CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3ns1 n ASN 1287N -4.24 0.00 -0.28 1.09 2.04 -1.20 -4.09 115.26 108.57 3ns1 n ASN 1287Ca -0.11 -0.76 0.03 0.00 -0.44 0.00 0.00 54.58 53.30 3ns1 n ASN 1287Cb 0.40 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.73 3ns1 n ASN 1287CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3ns1 n ASN 1288N -1.63 2.44 -4.45 0.53 3.02 -1.26 -4.61 115.26 109.30 3ns1 n ASN 1288Ca 0.00 -2.08 -0.44 0.00 -0.03 0.00 0.00 54.58 52.03 3ns1 n ASN 1288Cb 0.00 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 3ns1 n ASN 1288CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ns1 s ASN 1289N -1.11 6.68 0.26 6.41 2.47 -1.26 -4.89 114.94 123.51 3ns1 s ASN 1289Ca 0.12 -2.17 -0.03 0.00 0.42 0.00 0.00 52.86 51.20 3ns1 s ASN 1289Cb 0.07 -2.39 0.41 0.00 -1.45 0.00 0.00 41.25 37.88 3ns1 s ASN 1289CO 0.07 -1.01 1.88 0.71 -3.72 0.00 0.00 177.10 175.02 3ns1 h THR 1290N 5.67 1.08 0.00 -5.21 1.35 -1.99 -2.59 112.91 111.22 3ns1 h THR 1290Ca 0.17 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3ns1 h THR 1290Cb 1.01 -0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3ns1 h THR 1290CO 1.11 0.21 0.00 0.29 -0.25 0.00 0.00 175.52 176.88 3ns1 n LYS 1291N -4.52 0.94 -2.93 4.72 5.02 -1.26 -4.89 118.16 115.24 3ns1 n LYS 1291Ca 0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.04 3ns1 n LYS 1291Cb 0.19 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 3ns1 n LYS 1291CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ns1 s GLU 1292N -0.47 4.55 -0.20 1.97 2.12 -0.98 -4.67 118.70 121.02 3ns1 s GLU 1292Ca 0.00 1.15 -0.07 0.00 0.36 0.00 0.00 54.97 56.41 3ns1 s GLU 1292Cb 0.00 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3ns1 s GLU 1292CO 0.00 0.32 0.06 -0.51 -0.54 0.00 0.00 175.26 174.59 3ns1 s LEU 1293N -0.24 3.67 0.19 2.70 1.43 -1.26 -5.01 118.68 120.17 3ns1 s LEU 1293Ca 0.40 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.58 3ns1 s LEU 1293Cb -0.21 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3ns1 s LEU 1293CO 0.25 0.11 -0.21 0.72 0.23 0.00 0.00 176.35 177.45 3ns1 s PHE 1294N 0.77 2.09 -0.31 0.29 -0.12 -1.26 -5.12 117.98 114.32 3ns1 s PHE 1294Ca 0.03 -0.41 -0.24 0.00 -0.05 0.00 0.00 56.93 56.27 3ns1 s PHE 1294Cb -0.13 -1.02 0.00 0.00 -0.63 0.00 0.00 43.02 41.24 3ns1 s PHE 1294CO 0.02 0.45 0.80 0.50 -0.05 0.00 0.00 175.22 176.95 3ns1 s ARG 1295N -2.85 3.97 -0.25 1.99 3.52 -1.26 -5.04 118.95 119.03 3ns1 s ARG 1295Ca 0.20 0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 56.40 3ns1 s ARG 1295Cb -0.06 -3.73 0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3ns1 s ARG 1295CO 0.09 -0.69 -0.07 -1.17 -0.81 0.00 0.00 175.30 172.65 3ns1 s LEU 1296N 2.99 3.15 0.49 -0.88 2.96 -1.26 -5.10 118.68 121.03 3ns1 s LEU 1296Ca 0.33 -0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 3ns1 s LEU 1296Cb -0.14 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3ns1 s LEU 1296CO 0.13 -0.13 0.77 -1.81 -1.32 0.00 0.00 176.35 173.99 3ns1 s ASP 1297N 1.30 6.02 -0.09 3.68 1.01 -1.26 -4.90 116.67 122.43 3ns1 s ASP 1297Ca -0.00 0.71 -0.08 0.00 0.71 0.00 0.00 52.55 53.89 3ns1 s ASP 1297Cb -0.17 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 3ns1 s ASP 1297CO -0.05 -0.69 0.18 -0.55 0.21 0.00 0.00 175.17 174.27 3ns1 s SER 1298N -4.17 6.45 0.30 0.27 0.15 -0.95 -3.57 113.70 112.18 3ns1 s SER 1298Ca 0.48 0.54 -0.26 0.00 0.70 0.00 0.00 55.95 57.41 3ns1 s SER 1298Cb -0.10 -2.09 -0.10 0.00 -1.71 0.00 0.00 66.02 62.02 3ns1 s SER 1298CO 0.43 0.39 0.91 -2.16 1.20 0.00 0.00 173.24 174.00 3ns1 s PRO 1299N -1.11 4.57 -1.19 5.44 0.04 -1.26 -1.81 135.00 139.68 3ns1 s PRO 1299Ca 0.17 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 3ns1 s PRO 1299Cb -0.13 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3ns1 s PRO 1299CO 0.06 0.33 1.89 0.00 0.04 0.00 0.00 177.00 179.33 3ns1 n ALA 1300N 0.70 2.93 -1.47 8.56 0.00 -0.15 -4.88 120.51 126.20 3ns1 n ALA 1300Ca 0.01 -3.41 -0.30 0.00 0.00 0.00 0.00 53.44 49.74 3ns1 n ALA 1300Cb 0.50 -3.55 0.11 0.00 0.00 0.00 0.00 19.45 16.50 3ns1 n ALA 1300CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ns1 s THR 1301N 7.26 2.87 0.37 0.00 -4.23 -1.25 -4.64 115.64 116.02 3ns1 s THR 1301Ca 0.60 0.28 0.14 0.00 -1.18 0.00 0.00 61.69 61.54 3ns1 s THR 1301Cb 0.04 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.27 3ns1 s THR 1301CO 0.10 -0.37 1.79 -0.65 -0.54 0.00 0.00 174.62 174.94 3ns1 h PRO 1302N -1.23 0.49 -0.20 3.99 0.11 -1.86 -1.11 132.00 132.20 3ns1 h PRO 1302Ca -0.48 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ns1 h PRO 1302Cb 1.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3ns1 h PRO 1302CO 0.58 0.33 0.07 1.49 -0.21 0.00 0.00 178.00 180.26 3ns1 h GLU 1303N 0.51 0.15 -0.16 1.05 4.81 -1.88 -1.14 114.58 117.92 3ns1 h GLU 1303Ca 0.57 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.67 3ns1 h GLU 1303Cb 1.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3ns1 h GLU 1303CO -0.31 0.10 -0.42 0.87 -0.73 0.00 0.00 179.01 178.52 3ns1 h LYS 1304N 0.16 0.38 0.07 1.92 1.57 -1.62 -2.55 116.57 116.50 3ns1 h LYS 1304Ca 0.09 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3ns1 h LYS 1304Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ns1 h LYS 1304CO -0.09 0.73 -0.04 0.82 -0.57 0.00 0.00 179.45 180.31 3ns1 h ILE 1305N 0.31 1.15 -0.23 1.86 2.04 -1.04 -3.01 117.51 118.59 3ns1 h ILE 1305Ca 0.03 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3ns1 h ILE 1305Cb 0.87 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 3ns1 h ILE 1305CO 0.07 0.20 0.14 -0.09 0.00 0.00 0.00 178.15 178.47 3ns1 h ARG 1306N -0.46 0.31 -0.19 2.37 9.65 -1.24 -2.77 114.38 122.05 3ns1 h ARG 1306Ca -0.01 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 3ns1 h ARG 1306Cb 0.40 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3ns1 h ARG 1306CO 0.02 0.26 -0.15 -0.91 2.80 0.00 0.00 179.97 181.99 3ns1 h ASN 1307N 0.28 0.30 1.28 -3.80 2.35 -1.56 -1.96 115.58 112.47 3ns1 h ASN 1307Ca 0.08 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ns1 h ASN 1307Cb 0.03 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3ns1 h ASN 1307CO -0.02 0.48 0.00 0.00 -1.65 0.00 0.00 177.43 176.24 3ns1 h ALA 1308N 1.56 1.00 -0.52 -0.83 0.00 -1.37 -3.31 119.26 115.79 3ns1 h ALA 1308Ca 0.06 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.24 3ns1 h ALA 1308Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 3ns1 h ALA 1308CO 0.03 0.00 2.62 0.00 0.00 0.00 0.00 179.25 181.89 3ns1 n VAL 1310N 3.34 0.46 -3.18 0.00 0.31 -1.25 -4.85 118.33 113.17 3ns1 n VAL 1310Ca 0.53 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 3ns1 n VAL 1310Cb 0.32 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 3ns1 n VAL 1310CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3ns1 n ASP 1311N 5.99 0.00 0.22 4.52 5.68 -1.26 -4.01 116.55 127.69 3ns1 n ASP 1311Ca 0.21 -0.88 0.15 0.00 -0.50 0.00 0.00 54.79 53.77 3ns1 n ASP 1311Cb 0.32 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.08 3ns1 n ASP 1311CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3ns1 h LYS 1312N 0.00 0.00 0.06 0.11 2.10 -1.92 -2.71 116.57 114.20 3ns1 h LYS 1312Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 3ns1 h LYS 1312Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 3ns1 h LYS 1312CO 0.00 0.00 -1.99 1.19 -2.00 0.00 0.00 179.45 176.65 3ns1 n PHE 1313N -2.58 0.80 0.15 0.07 3.01 -1.26 -1.17 117.46 116.47 3ns1 n PHE 1313Ca -0.01 0.22 0.02 0.00 1.01 0.00 0.00 57.45 58.68 3ns1 n PHE 1313Cb 0.09 -1.10 0.35 0.00 -0.01 0.00 0.00 39.48 38.81 3ns1 n PHE 1313CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3ns1 h THR 1314N -0.32 1.24 0.00 4.37 1.35 -1.86 -2.40 112.91 115.28 3ns1 h THR 1314Ca -0.47 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 3ns1 h THR 1314Cb 1.79 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 3ns1 h THR 1314CO -0.08 0.33 -0.70 0.35 -0.25 0.00 0.00 175.52 175.17 3ns1 n THR 1315N -4.15 0.20 -0.97 6.82 -2.24 -1.03 -4.95 114.28 107.95 3ns1 n THR 1315Ca -0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3ns1 n THR 1315Cb 0.37 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3ns1 n THR 1315CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ns1 n LEU 1316N -1.90 0.69 -0.30 3.22 4.77 -0.91 -4.79 117.00 117.79 3ns1 n LEU 1316Ca 0.04 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 3ns1 n LEU 1316Cb 0.41 -1.80 0.29 0.00 -2.33 0.00 0.00 43.42 39.98 3ns1 n LEU 1316CO 0.37 -0.66 1.03 0.00 -1.33 0.00 0.00 177.39 176.81 3ns1 h VAL 1318N 0.40 0.15 -0.00 0.00 3.04 -1.44 -1.02 116.25 117.37 3ns1 h VAL 1318Ca 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.23 3ns1 h VAL 1318Cb 0.99 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3ns1 h VAL 1318CO -0.52 0.00 -0.31 0.35 -1.01 0.00 0.00 177.57 176.09 3ns1 n THR 1319N -3.22 0.00 0.00 3.17 -2.24 0.54 -4.93 114.28 107.61 3ns1 n THR 1319Ca 0.04 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3ns1 n THR 1319Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3ns1 n THR 1319CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ns1 n GLY 1320N 1.48 2.46 3.78 3.38 0.00 -0.39 -5.11 105.19 110.78 3ns1 n GLY 1320Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ns1 n GLY 1320CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ns1 s ALA 1321N -2.22 2.67 0.36 4.61 0.00 -1.24 -5.01 121.76 120.93 3ns1 s ALA 1321Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 3ns1 s ALA 1321Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3ns1 s ALA 1321CO 0.00 -0.82 1.12 -1.25 0.00 0.00 0.00 175.76 174.81 3ns1 s PRO 1322N -3.45 4.27 0.00 0.00 0.05 -1.26 -4.05 135.00 130.56 3ns1 s PRO 1322Ca 0.71 1.76 0.00 0.00 0.05 0.00 0.00 61.00 63.51 3ns1 s PRO 1322Cb -0.22 -2.81 0.00 0.00 0.05 0.00 0.00 34.50 31.52 3ns1 s PRO 1322CO 0.29 -0.11 0.00 0.41 0.05 0.00 0.00 177.00 177.65 3ns1 n GLY 1323N 0.73 2.46 2.43 0.56 0.00 -1.26 -4.81 105.19 105.29 3ns1 n GLY 1323Ca 0.03 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 3ns1 n GLY 1323CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ns1 n ASN 1324N -1.30 -1.07 0.00 1.61 0.23 -1.26 -5.07 115.26 108.40 3ns1 n ASN 1324Ca 0.00 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.31 3ns1 n ASN 1324Cb 0.00 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3ns1 n ASN 1324CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33