#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa2 n PRO 569 N 0.00 0.00 -1.73 1.61 -0.02 -1.26 -4.96 135.00 128.64 3fa2 n PRO 569 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 3fa2 n PRO 569 Cb 0.00 -1.06 0.07 0.00 -0.02 0.00 0.00 33.50 32.48 3fa2 n PRO 569 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa2 s LEU 570 N 1.62 3.53 -0.12 2.45 1.43 -1.26 -4.90 118.68 121.43 3fa2 s LEU 570 Ca 0.66 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 56.23 3fa2 s LEU 570 Cb -0.95 -4.61 0.04 0.00 0.03 0.00 0.00 46.19 40.71 3fa2 s LEU 570 CO 0.50 -1.97 0.02 -0.69 0.23 0.00 0.00 176.35 174.44 3fa2 s VAL 571 N -1.61 0.42 0.11 -1.59 1.01 -1.26 -1.68 120.40 115.80 3fa2 s VAL 571 Ca 0.79 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.66 3fa2 s VAL 571 Cb -0.33 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3fa2 s VAL 571 CO 0.39 0.06 0.02 -0.76 0.00 0.00 0.00 175.10 174.81 3fa2 s LEU 572 N 1.93 3.50 -0.04 3.92 1.43 -0.62 0.11 118.68 128.92 3fa2 s LEU 572 Ca 0.03 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 3fa2 s LEU 572 Cb -0.14 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.91 3fa2 s LEU 572 CO -0.07 0.16 0.46 -0.51 0.23 0.00 0.00 176.35 176.62 3fa2 s ILE 573 N -1.40 0.03 0.05 -0.59 2.07 -0.20 -1.31 121.20 119.84 3fa2 s ILE 573 Ca 0.27 -0.26 0.04 0.00 -1.41 0.00 0.00 60.65 59.29 3fa2 s ILE 573 Cb -0.11 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 3fa2 s ILE 573 CO 0.19 -0.14 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.19 3fa2 s GLY 574 N -1.18 1.80 -0.18 1.50 0.00 -1.26 -0.48 107.32 107.52 3fa2 s GLY 574 Ca -0.12 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 3fa2 s GLY 574 CO 0.06 -1.01 -0.03 -0.45 0.00 0.00 0.00 173.10 171.67 3fa2 s SER 575 N -1.80 3.00 0.00 1.64 0.15 0.21 -4.71 113.70 112.19 3fa2 s SER 575 Ca 0.20 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3fa2 s SER 575 Cb -0.11 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 3fa2 s SER 575 CO 0.11 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3fa2 n GLY 576 N 4.89 0.48 3.76 9.45 0.00 -1.26 -4.15 105.19 118.36 3fa2 n GLY 576 Ca -0.11 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3fa2 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa2 s LEU 577 N 0.00 4.57 1.07 0.99 1.43 -1.26 -4.66 118.68 120.82 3fa2 s LEU 577 Ca 0.00 2.00 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 3fa2 s LEU 577 Cb 0.00 -3.69 0.22 0.00 0.03 0.00 0.00 46.19 42.75 3fa2 s LEU 577 CO 0.00 0.05 1.11 -0.94 0.23 0.00 0.00 176.35 176.80 3fa2 s SER 578 N -1.20 2.07 0.19 2.29 1.04 -1.26 -4.73 113.70 112.09 3fa2 s SER 578 Ca 0.44 0.93 -0.12 0.00 0.48 0.00 0.00 55.95 57.67 3fa2 s SER 578 Cb -0.26 -1.43 0.12 0.00 0.10 0.00 0.00 66.02 64.55 3fa2 s SER 578 CO 0.32 -3.45 1.83 0.28 0.98 0.00 0.00 173.24 173.21 3fa2 h SER 579 N -2.11 0.60 -0.61 7.02 0.02 -1.97 0.26 113.55 116.76 3fa2 h SER 579 Ca -0.51 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.50 3fa2 h SER 579 Cb 1.32 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 3fa2 h SER 579 CO 0.50 0.42 0.31 -0.08 -1.14 0.00 0.00 176.83 176.84 3fa2 h GLU 580 N 0.72 0.56 -0.12 3.45 4.57 -1.99 0.28 114.58 122.06 3fa2 h GLU 580 Ca 0.23 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.20 3fa2 h GLU 580 Cb -0.00 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3fa2 h GLU 580 CO -0.09 0.37 -0.67 1.96 -1.18 0.00 0.00 179.01 179.40 3fa2 h GLN 581 N 0.58 0.48 0.00 1.92 4.20 -1.82 -1.96 115.11 118.50 3fa2 h GLN 581 Ca 0.28 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3fa2 h GLN 581 Cb 0.20 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3fa2 h GLN 581 CO -0.19 0.98 -0.34 0.37 -0.67 0.00 0.00 178.83 178.97 3fa2 h GLN 582 N 0.34 0.00 -0.08 1.46 5.75 -0.01 -0.41 115.11 122.15 3fa2 h GLN 582 Ca -0.02 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 3fa2 h GLN 582 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3fa2 h GLN 582 CO 0.12 0.34 -0.35 -0.22 -2.65 0.00 0.00 178.83 176.07 3fa2 h LYS 583 N 0.00 0.38 -0.33 1.69 1.63 -0.24 -2.40 116.57 117.29 3fa2 h LYS 583 Ca -0.00 -0.30 -0.07 0.00 -0.85 0.00 0.00 60.65 59.43 3fa2 h LYS 583 Cb 0.69 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 3fa2 h LYS 583 CO 0.04 0.94 -0.09 0.52 -3.45 0.00 0.00 179.45 177.41 3fa2 h MET 584 N -0.10 0.55 -0.52 1.90 2.86 -1.13 0.35 114.93 118.84 3fa2 h MET 584 Ca -0.02 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 3fa2 h MET 584 Cb 1.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3fa2 h MET 584 CO 0.07 0.64 -0.05 1.25 1.06 0.00 0.00 176.91 179.88 3fa2 h LEU 585 N 0.51 0.91 -0.16 1.22 5.85 -1.12 0.97 115.31 123.49 3fa2 h LEU 585 Ca 0.10 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fa2 h LEU 585 Cb 0.47 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3fa2 h LEU 585 CO 0.03 1.00 0.11 0.28 -0.34 0.00 0.00 178.44 179.51 3fa2 h SER 586 N 0.84 0.18 -0.67 1.25 0.02 -0.98 -1.34 113.55 112.86 3fa2 h SER 586 Ca 0.15 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3fa2 h SER 586 Cb 0.57 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.01 3fa2 h SER 586 CO 0.03 0.13 0.34 -0.33 -1.14 0.00 0.00 176.83 175.86 3fa2 h GLU 587 N 0.22 0.58 -0.53 3.45 5.08 -0.59 -2.75 114.58 120.04 3fa2 h GLU 587 Ca 0.06 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3fa2 h GLU 587 Cb -0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3fa2 h GLU 587 CO -0.02 0.39 -0.06 1.25 -1.00 0.00 0.00 179.01 179.57 3fa2 h LEU 588 N 0.60 0.96 -1.23 1.33 5.85 -0.63 -2.93 115.31 119.27 3fa2 h LEU 588 Ca 0.32 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3fa2 h LEU 588 Cb 0.29 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3fa2 h LEU 588 CO -0.23 1.07 0.53 0.00 -0.34 0.00 0.00 178.44 179.47 3fa2 h ALA 589 N 0.93 1.50 -0.43 1.25 0.00 -0.96 -1.93 119.26 119.63 3fa2 h ALA 589 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3fa2 h ALA 589 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fa2 h ALA 589 CO 0.04 0.43 -0.25 -0.39 0.00 0.00 0.00 179.25 179.07 3fa2 h VAL 590 N 1.01 1.27 -0.97 0.00 -1.51 -1.39 0.51 116.25 115.17 3fa2 h VAL 590 Ca 0.32 -1.41 0.03 0.00 -1.23 0.00 0.00 66.70 64.41 3fa2 h VAL 590 Cb 0.02 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 30.33 3fa2 h VAL 590 CO -0.09 0.48 0.64 0.40 -1.23 0.00 0.00 177.57 177.77 3fa2 h ILE 591 N 0.77 1.18 -0.06 7.19 2.04 -1.24 -2.01 117.51 125.38 3fa2 h ILE 591 Ca 0.09 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3fa2 h ILE 591 Cb 0.81 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3fa2 h ILE 591 CO 0.07 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.63 3fa2 n LEU 592 N -4.43 1.71 -2.22 1.44 4.77 -0.78 -4.91 117.00 112.58 3fa2 n LEU 592 Ca 0.13 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 3fa2 n LEU 592 Cb 0.09 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3fa2 n LEU 592 CO 0.35 0.30 -0.14 0.29 -1.33 0.00 0.00 177.39 176.86 3fa2 n LYS 593 N 0.34 -2.07 -3.11 3.23 5.02 0.22 -4.88 118.16 116.91 3fa2 n LYS 593 Ca 0.18 0.59 -0.32 0.00 -2.02 0.00 0.00 58.31 56.73 3fa2 n LYS 593 Cb 0.38 -5.10 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 3fa2 n LYS 593 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fa2 s ALA 594 N -2.46 3.32 0.56 7.82 0.00 0.15 -4.79 121.76 126.37 3fa2 s ALA 594 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 3fa2 s ALA 594 Cb 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 3fa2 s ALA 594 CO 0.00 0.30 1.04 0.15 0.00 0.00 0.00 175.76 177.25 3fa2 s LYS 595 N -3.06 3.52 -0.09 0.00 1.02 -0.68 -4.38 119.74 116.07 3fa2 s LYS 595 Ca 0.54 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.70 3fa2 s LYS 595 Cb -0.10 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 3fa2 s LYS 595 CO 0.19 -0.64 -0.10 0.21 -0.92 0.00 0.00 175.35 174.09 3fa2 s LYS 596 N -3.96 1.61 0.23 1.68 2.20 -1.26 -1.58 119.74 118.66 3fa2 s LYS 596 Ca 0.63 -0.33 0.06 0.00 -0.36 0.00 0.00 55.97 55.98 3fa2 s LYS 596 Cb -0.15 -1.51 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 3fa2 s LYS 596 CO 0.33 -0.14 0.20 0.71 -0.36 0.00 0.00 175.35 176.09 3fa2 s TYR 597 N 1.25 3.15 -0.49 4.03 2.02 -0.43 -4.97 117.35 121.91 3fa2 s TYR 597 Ca -0.03 -0.09 0.16 0.00 -0.37 0.00 0.00 57.07 56.74 3fa2 s TYR 597 Cb -0.14 -1.44 -0.20 0.00 -0.40 0.00 0.00 41.96 39.79 3fa2 s TYR 597 CO -0.03 0.52 0.56 0.25 -1.57 0.00 0.00 175.55 175.27 3fa2 n THR 598 N -1.05 0.00 -4.98 -0.71 -2.24 -1.26 -4.45 114.28 99.60 3fa2 n THR 598 Ca -0.08 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 3fa2 n THR 598 Cb 0.57 0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 3fa2 n THR 598 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fa2 s GLU 599 N -2.71 1.64 0.05 -0.78 0.41 -1.26 -4.99 118.70 111.06 3fa2 s GLU 599 Ca 0.02 -0.71 -0.31 0.00 -0.41 0.00 0.00 54.97 53.56 3fa2 s GLU 599 Cb 0.11 -1.57 -0.06 0.00 -1.78 0.00 0.00 34.13 30.83 3fa2 s GLU 599 CO 0.66 0.42 1.32 0.12 -0.49 0.00 0.00 175.26 177.29 3fa2 s PHE 600 N -0.45 3.17 0.29 1.61 5.36 -1.26 -5.04 117.98 121.65 3fa2 s PHE 600 Ca 0.07 1.03 0.11 0.00 -0.96 0.00 0.00 56.93 57.18 3fa2 s PHE 600 Cb -0.08 -3.58 -0.05 0.00 -0.34 0.00 0.00 43.02 38.98 3fa2 s PHE 600 CO -0.01 -1.99 -0.11 -0.51 -1.46 0.00 0.00 175.22 171.15 3fa2 s ASP 601 N 1.38 3.96 0.33 6.13 1.01 -1.26 -5.03 116.67 123.19 3fa2 s ASP 601 Ca 0.62 -0.92 0.26 0.00 0.71 0.00 0.00 52.55 53.22 3fa2 s ASP 601 Cb -0.32 -0.49 1.05 0.00 1.01 0.00 0.00 42.92 44.16 3fa2 s ASP 601 CO 0.28 -0.02 1.78 0.77 0.21 0.00 0.00 175.17 178.19 3fa2 h SER 602 N 2.08 0.00 0.99 0.27 4.64 -1.98 -2.52 113.55 117.05 3fa2 h SER 602 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3fa2 h SER 602 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3fa2 h SER 602 CO 0.62 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.93 3fa2 n THR 603 N -2.46 0.69 -1.71 2.95 -2.24 -1.26 -4.84 114.28 105.41 3fa2 n THR 603 Ca 0.02 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 3fa2 n THR 603 Cb 0.27 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 3fa2 n THR 603 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3fa2 n VAL 604 N -2.10 0.01 -0.10 2.28 0.31 -0.95 -4.56 118.33 113.22 3fa2 n VAL 604 Ca 0.04 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 3fa2 n VAL 604 Cb 0.30 -1.94 -0.14 0.00 -0.91 0.00 0.00 33.84 31.15 3fa2 n VAL 604 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3fa2 n THR 605 N 3.93 1.31 -4.32 2.52 -2.24 0.12 -4.91 114.28 110.68 3fa2 n THR 605 Ca 0.16 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.99 3fa2 n THR 605 Cb 0.34 -0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 67.74 3fa2 n THR 605 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fa2 s HIS 606 N -2.46 0.95 -0.15 4.78 3.76 -0.68 -2.36 115.29 119.13 3fa2 s HIS 606 Ca -0.14 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3fa2 s HIS 606 Cb 0.06 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 33.02 3fa2 s HIS 606 CO 0.73 -0.18 -0.20 0.08 -0.85 0.00 0.00 174.74 174.32 3fa2 s VAL 607 N 0.63 1.92 -0.14 -0.90 1.01 -0.21 -1.03 120.40 121.67 3fa2 s VAL 607 Ca -0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3fa2 s VAL 607 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3fa2 s VAL 607 CO 0.01 0.52 -0.03 -0.69 0.00 0.00 0.00 175.10 174.91 3fa2 s VAL 608 N 1.05 3.99 0.28 2.92 1.01 0.37 -0.69 120.40 129.32 3fa2 s VAL 608 Ca -0.02 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3fa2 s VAL 608 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3fa2 s VAL 608 CO -0.06 0.51 -0.05 0.68 0.00 0.00 0.00 175.10 176.18 3fa2 s VAL 609 N 0.16 3.05 0.20 2.92 -7.23 0.26 -0.62 120.40 119.14 3fa2 s VAL 609 Ca -0.01 -2.05 0.16 0.00 -1.81 0.00 0.00 61.98 58.27 3fa2 s VAL 609 Cb -0.14 -2.70 0.08 0.00 0.56 0.00 0.00 36.38 34.19 3fa2 s VAL 609 CO 0.03 -0.35 1.69 1.55 -0.31 0.00 0.00 175.10 177.71 3fa2 h PRO 610 N 1.96 0.00 0.00 4.82 0.13 -1.83 0.37 132.00 137.45 3fa2 h PRO 610 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3fa2 h PRO 610 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3fa2 h PRO 610 CO 0.61 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 3fa2 n GLY 611 N 0.23 4.87 0.00 1.56 0.00 -1.26 -4.28 105.19 106.32 3fa2 n GLY 611 Ca -0.01 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.44 3fa2 n GLY 611 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fa2 n ASP 612 N -1.36 0.00 -4.28 1.61 8.00 -1.26 -4.52 116.55 114.73 3fa2 n ASP 612 Ca 0.00 0.43 -0.24 0.00 0.71 0.00 0.00 54.79 55.69 3fa2 n ASP 612 Cb 0.00 -0.47 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 3fa2 n ASP 612 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa2 s ALA 613 N -2.94 1.79 0.34 2.24 0.00 -1.26 -4.79 121.76 117.14 3fa2 s ALA 613 Ca 0.12 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 3fa2 s ALA 613 Cb 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 3fa2 s ALA 613 CO 0.41 0.36 0.76 0.54 0.00 0.00 0.00 175.76 177.83 3fa2 s VAL 614 N -1.14 4.65 0.05 0.00 0.11 -1.26 -4.88 120.40 117.92 3fa2 s VAL 614 Ca 0.06 1.01 0.02 0.00 -2.93 0.00 0.00 61.98 60.14 3fa2 s VAL 614 Cb -0.10 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 3fa2 s VAL 614 CO 0.04 -0.20 0.05 -1.10 -3.33 0.00 0.00 175.10 170.56 3fa2 s GLN 615 N -3.01 2.86 -1.27 1.54 -0.21 -1.26 -5.01 119.66 113.30 3fa2 s GLN 615 Ca 0.55 -0.65 -0.06 0.00 0.02 0.00 0.00 55.36 55.22 3fa2 s GLN 615 Cb -0.10 -2.72 0.08 0.00 1.00 0.00 0.00 33.01 31.27 3fa2 s GLN 615 CO 0.17 0.59 2.53 -1.13 -2.12 0.00 0.00 175.29 175.33 3fa2 n SER 616 N 0.81 7.98 -4.91 5.90 3.41 -1.26 -4.51 113.62 121.05 3fa2 n SER 616 Ca -0.11 -3.05 -0.28 0.00 -0.26 0.00 0.00 58.87 55.17 3fa2 n SER 616 Cb 0.52 -1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 3fa2 n SER 616 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3fa2 s THR 617 N -0.74 5.03 0.22 6.66 -4.23 -1.26 -4.96 115.64 116.36 3fa2 s THR 617 Ca 0.57 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 3fa2 s THR 617 Cb 0.20 -3.75 0.17 0.00 1.34 0.00 0.00 72.50 70.46 3fa2 s THR 617 CO -0.10 -0.36 1.82 0.25 -0.54 0.00 0.00 174.62 175.69 3fa2 h LEU 618 N 1.54 0.66 -0.55 4.79 5.85 -1.99 -0.66 115.31 124.95 3fa2 h LEU 618 Ca -0.48 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3fa2 h LEU 618 Cb 1.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3fa2 h LEU 618 CO 0.65 0.42 0.18 0.11 -0.34 0.00 0.00 178.44 179.47 3fa2 h LYS 619 N 0.79 0.86 -0.41 1.25 1.57 -1.95 0.94 116.57 119.62 3fa2 h LYS 619 Ca 0.33 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 3fa2 h LYS 619 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3fa2 h LYS 619 CO -0.18 0.78 -0.15 0.00 -0.57 0.00 0.00 179.45 179.32 3fa2 h MET 621 N 0.64 0.16 -0.30 0.00 2.86 -1.00 0.75 114.93 118.06 3fa2 h MET 621 Ca 0.10 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3fa2 h MET 621 Cb 0.70 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3fa2 h MET 621 CO 0.05 0.50 0.20 -0.07 1.06 0.00 0.00 176.91 178.65 3fa2 h LEU 622 N -0.18 0.30 -0.04 1.22 3.38 -0.87 0.13 115.31 119.24 3fa2 h LEU 622 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fa2 h LEU 622 Cb 0.44 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3fa2 h LEU 622 CO 0.01 0.21 0.00 1.23 0.09 0.00 0.00 178.44 179.99 3fa2 h GLY 623 N 0.35 0.08 0.56 0.83 0.00 -0.63 -1.36 103.07 102.91 3fa2 h GLY 623 Ca 0.11 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.43 3fa2 h GLY 623 CO -0.03 0.05 -0.11 -2.22 0.00 0.00 0.00 176.54 174.24 3fa2 h ILE 624 N -0.19 0.69 0.00 2.60 2.04 -0.35 -1.86 117.51 120.44 3fa2 h ILE 624 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3fa2 h ILE 624 Cb 0.29 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3fa2 h ILE 624 CO 0.00 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.04 3fa2 h LEU 625 N -0.13 0.00 -0.53 1.44 3.38 -0.67 0.13 115.31 118.94 3fa2 h LEU 625 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fa2 h LEU 625 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3fa2 h LEU 625 CO -0.20 0.04 -0.12 -3.20 0.09 0.00 0.00 178.44 175.04 3fa2 n ASN 626 N -3.43 0.94 -0.31 -0.43 5.15 -0.52 -4.81 115.26 111.85 3fa2 n ASN 626 Ca -0.02 -0.99 -0.03 0.00 -0.60 0.00 0.00 54.58 52.93 3fa2 n ASN 626 Cb 0.15 0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.42 3fa2 n ASN 626 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fa2 n GLY 627 N 1.25 0.45 3.84 8.20 0.00 0.46 -5.00 105.19 114.38 3fa2 n GLY 627 Ca 0.16 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3fa2 n GLY 627 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa2 s TRP 629 N -3.20 3.25 -0.24 0.00 0.52 -0.99 -4.70 118.94 113.58 3fa2 s TRP 629 Ca 0.59 0.97 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 3fa2 s TRP 629 Cb -0.13 -3.67 0.03 0.00 -1.15 0.00 0.00 33.47 28.54 3fa2 s TRP 629 CO 0.54 -2.33 -0.08 0.42 0.02 0.00 0.00 176.95 175.51 3fa2 s ILE 630 N 1.09 2.75 0.02 2.03 -1.09 -1.26 -1.05 121.20 123.70 3fa2 s ILE 630 Ca 0.64 -1.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.09 3fa2 s ILE 630 Cb -0.37 -2.38 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3fa2 s ILE 630 CO 0.30 0.24 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.32 3fa2 s LEU 631 N 1.31 2.11 0.48 2.97 1.43 0.13 -0.55 118.68 126.56 3fa2 s LEU 631 Ca 0.00 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 3fa2 s LEU 631 Cb -0.16 -0.82 -0.07 0.00 0.03 0.00 0.00 46.19 45.17 3fa2 s LEU 631 CO -0.05 0.14 1.21 -0.54 0.23 0.00 0.00 176.35 177.34 3fa2 s LYS 632 N -0.83 3.62 0.60 1.70 1.02 -0.24 -0.57 119.74 125.04 3fa2 s LYS 632 Ca 0.05 1.89 0.30 0.00 0.02 0.00 0.00 55.97 58.24 3fa2 s LYS 632 Cb -0.07 -2.38 1.76 0.00 -0.52 0.00 0.00 37.83 36.61 3fa2 s LYS 632 CO 0.01 -0.70 2.14 0.35 -0.92 0.00 0.00 175.35 176.23 3fa2 h PHE 633 N 1.93 0.00 -0.38 3.18 3.57 -1.10 -1.26 116.94 122.87 3fa2 h PHE 633 Ca -0.50 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.11 3fa2 h PHE 633 Cb 1.26 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3fa2 h PHE 633 CO 0.52 0.00 0.47 1.49 -2.23 0.00 0.00 178.31 178.56 3fa2 h GLU 634 N 0.00 0.00 -0.38 1.11 4.57 -1.86 0.41 114.58 118.43 3fa2 h GLU 634 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3fa2 h GLU 634 Cb 0.36 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3fa2 h GLU 634 CO -0.00 0.00 0.22 2.35 -1.18 0.00 0.00 179.01 180.40 3fa2 h TRP 635 N 0.00 0.52 -0.15 0.92 7.01 -1.58 -1.24 115.95 121.44 3fa2 h TRP 635 Ca 0.18 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.17 3fa2 h TRP 635 Cb 1.12 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 3fa2 h TRP 635 CO 0.00 0.39 0.09 0.28 -2.79 0.00 0.00 178.44 176.41 3fa2 h VAL 636 N 0.50 1.05 -0.04 2.65 2.07 -0.37 -0.91 116.25 121.19 3fa2 h VAL 636 Ca 0.14 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3fa2 h VAL 636 Cb 0.04 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3fa2 h VAL 636 CO -0.02 0.05 0.02 0.11 0.02 0.00 0.00 177.57 177.74 3fa2 h LYS 637 N 0.18 0.06 -0.25 1.57 1.57 -1.47 -0.46 116.57 117.77 3fa2 h LYS 637 Ca 0.05 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3fa2 h LYS 637 Cb 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 3fa2 h LYS 637 CO -0.01 0.22 -0.16 0.00 -0.57 0.00 0.00 179.45 178.92 3fa2 h ALA 638 N 0.84 0.02 -0.46 3.86 0.00 -1.13 0.26 119.26 122.66 3fa2 h ALA 638 Ca 0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3fa2 h ALA 638 Cb 0.18 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3fa2 h ALA 638 CO -0.00 -0.57 0.20 0.00 0.00 0.00 0.00 179.25 178.88 3fa2 h LEU 640 N 0.40 0.00 -0.26 0.00 3.38 -0.36 0.57 115.31 119.04 3fa2 h LEU 640 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3fa2 h LEU 640 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fa2 h LEU 640 CO -0.18 0.29 -0.11 -0.09 0.09 0.00 0.00 178.44 178.45 3fa2 h ARG 641 N 0.00 0.54 -0.01 1.13 2.43 -0.02 -3.35 114.38 115.10 3fa2 h ARG 641 Ca -0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3fa2 h ARG 641 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3fa2 h ARG 641 CO 0.04 0.78 -0.31 0.54 -1.51 0.00 0.00 179.97 179.50 3fa2 n ARG 642 N -4.48 1.95 -3.81 0.20 1.74 -0.91 -4.99 116.66 106.35 3fa2 n ARG 642 Ca -0.04 -0.64 -0.27 0.00 -0.77 0.00 0.00 57.85 56.13 3fa2 n ARG 642 Cb 0.34 -1.18 0.01 0.00 -1.02 0.00 0.00 32.46 30.61 3fa2 n ARG 642 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fa2 n LYS 643 N -0.30 -2.77 -3.84 5.56 4.76 0.20 -4.99 118.16 116.78 3fa2 n LYS 643 Ca 0.05 0.46 -0.12 0.00 -2.87 0.00 0.00 58.31 55.83 3fa2 n LYS 643 Cb 0.27 -4.47 -0.12 0.00 -1.84 0.00 0.00 35.03 28.87 3fa2 n LYS 643 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fa2 s VAL 644 N -3.73 0.02 -0.73 -0.18 1.01 -1.11 -5.06 120.40 110.62 3fa2 s VAL 644 Ca 0.18 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 3fa2 s VAL 644 Cb -0.06 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.11 3fa2 s VAL 644 CO 0.87 -0.08 1.30 0.00 0.00 0.00 0.00 175.10 177.19 3fa2 s GLU 646 N 5.75 3.28 -0.16 0.00 2.02 -1.26 -4.92 118.70 123.41 3fa2 s GLU 646 Ca 0.37 1.17 -0.38 0.00 0.02 0.00 0.00 54.97 56.15 3fa2 s GLU 646 Cb -0.08 -2.03 -0.14 0.00 0.10 0.00 0.00 34.13 31.98 3fa2 s GLU 646 CO 0.16 -0.84 1.75 1.04 0.02 0.00 0.00 175.26 177.39 3fa2 n GLN 647 N -2.17 1.55 -0.02 1.61 6.02 -1.26 -4.87 117.38 118.24 3fa2 n GLN 647 Ca 0.09 0.57 0.01 0.00 -0.01 0.00 0.00 57.00 57.65 3fa2 n GLN 647 Cb 0.53 -2.30 0.33 0.00 1.02 0.00 0.00 30.24 29.81 3fa2 n GLN 647 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3fa2 h GLU 648 N 7.59 0.57 -0.36 -1.09 3.07 -1.99 -2.85 114.58 119.52 3fa2 h GLU 648 Ca -0.47 -0.09 0.07 0.00 -0.50 0.00 0.00 59.36 58.38 3fa2 h GLU 648 Cb 1.30 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 3fa2 h GLU 648 CO 0.94 0.51 0.25 0.93 -1.40 0.00 0.00 179.01 180.23 3fa2 h GLU 649 N 0.56 0.16 0.00 2.33 3.07 -1.96 0.77 114.58 119.50 3fa2 h GLU 649 Ca 0.13 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3fa2 h GLU 649 Cb 0.18 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3fa2 h GLU 649 CO -0.01 0.10 -0.05 0.87 -1.40 0.00 0.00 179.01 178.52 3fa2 h LYS 650 N 0.16 0.00 0.00 2.33 1.57 -1.89 -3.02 116.57 115.72 3fa2 h LYS 650 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3fa2 h LYS 650 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3fa2 h LYS 650 CO -0.02 0.05 -0.03 0.66 -0.57 0.00 0.00 179.45 179.54 3fa2 n TYR 651 N -3.51 0.00 -2.76 -1.35 4.01 0.19 -5.05 117.16 108.69 3fa2 n TYR 651 Ca -0.02 -0.68 -0.41 0.00 -0.16 0.00 0.00 57.90 56.62 3fa2 n TYR 651 Cb 0.17 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 3fa2 n TYR 651 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3fa2 s GLU 652 N -1.79 4.62 0.04 -0.72 2.12 -0.73 -1.07 118.70 121.16 3fa2 s GLU 652 Ca 0.15 1.38 -0.30 0.00 0.36 0.00 0.00 54.97 56.56 3fa2 s GLU 652 Cb 0.13 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 31.04 3fa2 s GLU 652 CO 0.01 0.11 1.72 0.42 -0.54 0.00 0.00 175.26 176.99 3fa2 s ILE 653 N 0.41 3.12 0.87 -3.70 -1.09 0.29 -4.93 121.20 116.18 3fa2 s ILE 653 Ca 0.48 0.42 -0.10 0.00 -2.23 0.00 0.00 60.65 59.22 3fa2 s ILE 653 Cb -0.22 -3.27 0.12 0.00 -1.58 0.00 0.00 42.46 37.51 3fa2 s ILE 653 CO 0.28 -0.02 1.12 -2.84 -1.23 0.00 0.00 174.94 172.25 3fa2 s PRO 654 N 3.28 1.39 6.07 2.79 0.02 -1.26 -3.89 135.00 143.40 3fa2 s PRO 654 Ca 0.77 1.33 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3fa2 s PRO 654 Cb -0.39 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3fa2 s PRO 654 CO 0.34 -2.30 0.00 0.39 -0.33 0.00 0.00 177.00 175.10 3fa2 n GLU 655 N -3.98 0.00 -0.23 5.54 -0.58 -1.26 -4.35 120.64 115.77 3fa2 n GLU 655 Ca 0.10 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.77 3fa2 n GLU 655 Cb 0.53 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 3fa2 n GLU 655 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3fa2 h GLY 656 N 0.00 -1.51 0.63 0.62 0.00 -1.70 0.13 103.07 101.24 3fa2 h GLY 656 Ca 0.00 0.91 0.09 0.00 0.00 0.00 0.00 47.33 48.33 3fa2 h GLY 656 CO 0.00 -0.36 0.63 -2.55 0.00 0.00 0.00 176.54 174.26 3fa2 h PRO 657 N -0.05 1.01 0.06 4.80 0.11 -1.76 -1.14 132.00 135.03 3fa2 h PRO 657 Ca 0.09 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3fa2 h PRO 657 Cb 0.28 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3fa2 h PRO 657 CO -0.55 0.67 -0.03 -0.09 -0.21 0.00 0.00 178.00 177.79 3fa2 h ARG 658 N 1.04 -0.08 -0.56 1.05 2.43 -1.47 -1.60 114.38 115.18 3fa2 h ARG 658 Ca 0.45 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.73 3fa2 h ARG 658 Cb 0.35 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 3fa2 h ARG 658 CO -0.21 0.39 0.11 0.00 -1.51 0.00 0.00 179.97 178.75 3fa2 h ARG 659 N -0.59 0.23 -0.65 0.20 3.08 -0.64 0.14 114.38 116.14 3fa2 h ARG 659 Ca -0.01 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3fa2 h ARG 659 Cb 0.51 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3fa2 h ARG 659 CO 0.01 0.15 0.43 1.03 -1.07 0.00 0.00 179.97 180.52 3fa2 h SER 660 N 0.24 0.75 -0.33 7.04 0.87 -1.20 -0.19 113.55 120.72 3fa2 h SER 660 Ca 0.29 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3fa2 h SER 660 Cb 0.43 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3fa2 h SER 660 CO -0.39 0.55 0.05 -0.09 -0.53 0.00 0.00 176.83 176.42 3fa2 h ARG 661 N 0.88 0.55 0.00 2.24 2.43 -0.23 -0.49 114.38 119.77 3fa2 h ARG 661 Ca 0.24 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3fa2 h ARG 661 Cb -0.10 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3fa2 h ARG 661 CO -0.05 0.64 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.77 3fa2 h LEU 662 N 0.38 0.00 -0.13 3.80 3.38 -0.60 -1.14 115.31 121.00 3fa2 h LEU 662 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3fa2 h LEU 662 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3fa2 h LEU 662 CO 0.01 0.21 -0.06 -1.13 0.09 0.00 0.00 178.44 177.56 3fa2 h ASN 663 N 0.00 0.27 -0.47 -0.43 -1.24 -0.32 -2.16 115.58 111.24 3fa2 h ASN 663 Ca -0.00 -0.41 0.05 0.00 0.71 0.00 0.00 56.30 56.65 3fa2 h ASN 663 Cb 0.39 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.32 3fa2 h ASN 663 CO 0.03 0.62 0.20 -0.09 -1.29 0.00 0.00 177.43 176.90 3fa2 h ARG 664 N -0.07 0.39 0.00 6.67 2.43 -0.88 -2.41 114.38 120.51 3fa2 h ARG 664 Ca 0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3fa2 h ARG 664 Cb 0.52 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3fa2 h ARG 664 CO 0.02 0.26 -0.18 0.93 -1.51 0.00 0.00 179.97 179.49 3fa2 h GLU 665 N 0.41 0.00 -0.29 0.20 5.08 -1.17 -2.27 114.58 116.53 3fa2 h GLU 665 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3fa2 h GLU 665 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fa2 h GLU 665 CO -0.18 0.18 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 3fa2 n GLN 666 N -4.28 1.95 -3.49 2.33 6.02 -0.82 -4.94 117.38 114.15 3fa2 n GLN 666 Ca -0.02 -1.44 -0.25 0.00 -0.01 0.00 0.00 57.00 55.27 3fa2 n GLN 666 Cb 0.24 -1.39 0.03 0.00 1.02 0.00 0.00 30.24 30.15 3fa2 n GLN 666 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3fa2 n LEU 667 N 0.66 -2.57 -4.94 1.08 4.77 -0.86 -4.99 117.00 110.16 3fa2 n LEU 667 Ca 0.16 -0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 55.38 3fa2 n LEU 667 Cb 0.39 -2.69 -0.00 0.00 -2.33 0.00 0.00 43.42 38.78 3fa2 n LEU 667 CO 0.12 0.38 0.26 -0.76 -1.33 0.00 0.00 177.39 176.06 3fa2 s LEU 668 N -6.97 3.84 0.90 2.23 1.43 -0.93 -5.06 118.68 114.12 3fa2 s LEU 668 Ca 0.50 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.99 3fa2 s LEU 668 Cb -0.24 -3.38 0.14 0.00 0.03 0.00 0.00 46.19 42.74 3fa2 s LEU 668 CO 0.61 -0.46 1.12 -2.84 0.23 0.00 0.00 176.35 175.01 3fa2 s PRO 669 N -4.47 1.12 0.88 1.29 0.02 -1.26 -4.73 135.00 127.85 3fa2 s PRO 669 Ca 0.44 1.39 -0.12 0.00 0.02 0.00 0.00 61.00 62.72 3fa2 s PRO 669 Cb -0.10 -1.75 0.12 0.00 0.02 0.00 0.00 34.50 32.79 3fa2 s PRO 669 CO 0.38 -2.51 1.11 0.15 -0.33 0.00 0.00 177.00 175.81 3fa2 s LYS 670 N -4.70 1.39 0.30 5.54 1.02 -1.26 -4.92 119.74 117.10 3fa2 s LYS 670 Ca 0.66 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 57.15 3fa2 s LYS 670 Cb -0.22 -1.85 0.44 0.00 -0.52 0.00 0.00 37.83 35.68 3fa2 s LYS 670 CO 0.58 -2.07 1.96 1.25 -0.92 0.00 0.00 175.35 176.15 3fa2 h LEU 671 N -1.42 0.96 -3.57 3.17 5.85 -1.90 -2.01 115.31 116.39 3fa2 h LEU 671 Ca -0.50 -0.02 -0.28 0.00 0.84 0.00 0.00 57.88 57.92 3fa2 h LEU 671 Cb 1.30 -0.24 -0.17 0.00 0.37 0.00 0.00 40.66 41.93 3fa2 h LEU 671 CO 0.59 0.69 0.17 0.49 -0.34 0.00 0.00 178.44 180.05 3fa2 n PHE 672 N -4.41 1.77 -1.82 1.25 3.72 0.55 -4.64 117.46 113.88 3fa2 n PHE 672 Ca 0.10 -1.63 -0.42 0.00 -0.05 0.00 0.00 57.45 55.45 3fa2 n PHE 672 Cb 0.03 -0.64 -0.03 0.00 -0.94 0.00 0.00 39.48 37.91 3fa2 n PHE 672 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fa2 s ASP 673 N -2.05 6.48 0.00 4.37 2.15 -0.76 -1.97 116.67 124.90 3fa2 s ASP 673 Ca 0.49 2.72 0.00 0.00 0.43 0.00 0.00 52.55 56.19 3fa2 s ASP 673 Cb 0.43 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 3fa2 s ASP 673 CO 0.04 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 3fa2 n GLY 674 N 3.96 1.65 3.93 2.66 0.00 -1.26 -3.71 105.19 112.42 3fa2 n GLY 674 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3fa2 n GLY 674 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa2 s TYR 676 N -1.98 1.19 -0.11 0.00 2.02 0.26 -1.70 117.35 117.02 3fa2 s TYR 676 Ca 0.39 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.65 3fa2 s TYR 676 Cb -0.11 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 40.81 3fa2 s TYR 676 CO 0.30 0.04 0.08 -0.06 -1.57 0.00 0.00 175.55 174.34 3fa2 s PHE 677 N -1.07 0.12 -0.22 2.71 0.08 0.49 -0.69 117.98 119.40 3fa2 s PHE 677 Ca -0.01 -0.02 -0.05 0.00 0.12 0.00 0.00 56.93 56.97 3fa2 s PHE 677 Cb -0.09 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 3fa2 s PHE 677 CO 0.02 -0.36 0.01 -0.47 -0.10 0.00 0.00 175.22 174.32 3fa2 s TYR 678 N 2.16 3.04 -0.50 0.36 5.04 0.23 0.14 117.35 127.82 3fa2 s TYR 678 Ca 0.03 -0.54 -0.18 0.00 -2.44 0.00 0.00 57.07 53.95 3fa2 s TYR 678 Cb -0.14 -2.12 0.06 0.00 0.35 0.00 0.00 41.96 40.11 3fa2 s TYR 678 CO -0.06 -0.32 0.56 -0.51 -1.34 0.00 0.00 175.55 173.88 3fa2 s LEU 679 N 1.23 5.16 -0.21 6.97 1.43 -1.26 0.59 118.68 132.58 3fa2 s LEU 679 Ca 0.03 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 3fa2 s LEU 679 Cb -0.15 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3fa2 s LEU 679 CO 0.01 -0.83 0.47 0.86 0.23 0.00 0.00 176.35 177.09 3fa2 s TRP 680 N 2.35 3.35 0.00 0.29 -0.00 0.10 -4.95 118.94 120.08 3fa2 s TRP 680 Ca 0.12 0.68 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 3fa2 s TRP 680 Cb -0.21 -2.62 0.00 0.00 -0.00 0.00 0.00 33.47 30.64 3fa2 s TRP 680 CO 0.10 -0.10 0.00 0.41 -0.00 0.00 0.00 176.95 177.36 3fa2 n GLY 681 N 4.01 0.08 3.71 5.86 0.00 -1.26 -4.49 105.19 113.10 3fa2 n GLY 681 Ca -0.06 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3fa2 n GLY 681 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fa2 s THR 682 N 0.00 4.17 0.15 2.61 -4.23 -1.26 -5.02 115.64 112.05 3fa2 s THR 682 Ca 0.00 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 3fa2 s THR 682 Cb 0.00 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3fa2 s THR 682 CO 0.00 0.14 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.66 3fa2 s PHE 683 N -1.31 1.85 -0.05 3.99 0.40 -1.26 -4.55 117.98 117.05 3fa2 s PHE 683 Ca 0.26 -0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 3fa2 s PHE 683 Cb -0.12 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 3fa2 s PHE 683 CO 0.19 0.30 -0.14 1.63 0.70 0.00 0.00 175.22 177.90 3fa2 n LYS 684 N 0.56 0.22 -0.06 0.44 5.02 -1.26 -4.60 118.16 118.47 3fa2 n LYS 684 Ca -0.15 0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.17 3fa2 n LYS 684 Cb 0.56 -0.88 -0.04 0.00 -0.02 0.00 0.00 35.03 34.65 3fa2 n LYS 684 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fa2 h HIS 685 N -0.40 0.00 -3.40 2.13 3.86 -2.04 -3.38 115.15 111.91 3fa2 h HIS 685 Ca -0.11 0.00 -0.76 0.00 -1.16 0.00 0.00 60.37 58.34 3fa2 h HIS 685 Cb 0.74 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.95 3fa2 h HIS 685 CO -0.12 0.33 -0.15 -1.01 0.86 0.00 0.00 177.93 177.84 3fa2 s HIS 686 N -1.94 3.46 1.24 2.45 3.76 -1.26 -5.07 115.29 117.93 3fa2 s HIS 686 Ca -0.10 -1.71 -0.16 0.00 -0.15 0.00 0.00 55.06 52.94 3fa2 s HIS 686 Cb 0.01 -3.73 0.31 0.00 1.11 0.00 0.00 32.58 30.28 3fa2 s HIS 686 CO 0.24 -1.00 1.00 -1.25 -0.85 0.00 0.00 174.74 172.89 3fa2 s PRO 687 N 0.97 -1.52 0.11 8.40 0.04 -1.26 -4.63 135.00 137.11 3fa2 s PRO 687 Ca 0.09 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 3fa2 s PRO 687 Cb -0.22 -1.51 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 3fa2 s PRO 687 CO -0.02 -4.05 1.67 -0.22 0.04 0.00 0.00 177.00 174.42 3fa2 h LYS 688 N -2.84 -0.27 0.00 4.56 3.64 -1.96 -2.32 116.57 117.37 3fa2 h LYS 688 Ca -0.56 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3fa2 h LYS 688 Cb 1.34 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 3fa2 h LYS 688 CO 0.44 -0.18 0.00 -0.40 -2.27 0.00 0.00 179.45 177.04 3fa2 n ASP 689 N -5.30 0.53 0.04 4.20 5.68 -1.26 -0.13 116.55 120.31 3fa2 n ASP 689 Ca -0.05 0.56 -0.12 0.00 -0.50 0.00 0.00 54.79 54.68 3fa2 n ASP 689 Cb 0.21 -0.70 -0.07 0.00 -1.14 0.00 0.00 41.12 39.43 3fa2 n ASP 689 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3fa2 h ASN 690 N 0.00 -0.00 -0.73 -1.12 4.21 -1.79 -1.96 115.58 114.18 3fa2 h ASN 690 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 3fa2 h ASN 690 Cb 0.61 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.77 3fa2 h ASN 690 CO 0.00 -0.00 0.44 -0.07 -1.29 0.00 0.00 177.43 176.51 3fa2 h LEU 691 N 0.00 0.89 -0.30 1.61 3.38 -0.00 -0.63 115.31 120.27 3fa2 h LEU 691 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3fa2 h LEU 691 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3fa2 h LEU 691 CO -0.01 0.70 0.11 0.40 0.09 0.00 0.00 178.44 179.73 3fa2 h ILE 692 N 1.03 0.93 -0.51 1.22 2.04 -0.76 -0.13 117.51 121.32 3fa2 h ILE 692 Ca 0.27 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 66.10 3fa2 h ILE 692 Cb -0.03 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 3fa2 h ILE 692 CO -0.05 0.04 0.21 0.11 0.00 0.00 0.00 178.15 178.47 3fa2 h LYS 693 N 0.24 0.40 0.15 2.37 1.57 -0.54 0.83 116.57 121.60 3fa2 h LYS 693 Ca 0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3fa2 h LYS 693 Cb 0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3fa2 h LYS 693 CO -0.13 0.27 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.87 3fa2 h LEU 694 N 0.41 -0.17 -0.17 2.94 3.38 -0.54 0.45 115.31 121.61 3fa2 h LEU 694 Ca 0.24 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3fa2 h LEU 694 Cb 0.22 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3fa2 h LEU 694 CO -0.21 0.06 -0.17 0.58 0.09 0.00 0.00 178.44 178.78 3fa2 h VAL 695 N -0.40 0.54 -0.17 1.22 2.07 -1.02 0.28 116.25 118.76 3fa2 h VAL 695 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3fa2 h VAL 695 Cb 0.32 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3fa2 h VAL 695 CO 0.03 0.00 -0.08 0.74 0.02 0.00 0.00 177.57 178.28 3fa2 h THR 696 N -0.20 0.73 -0.42 2.57 2.02 -0.52 -1.79 112.91 115.29 3fa2 h THR 696 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3fa2 h THR 696 Cb 0.36 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3fa2 h THR 696 CO -0.29 0.00 0.11 0.00 0.37 0.00 0.00 175.52 175.71 3fa2 h ALA 697 N 1.09 1.41 -0.17 6.16 0.00 0.32 -0.94 119.26 127.12 3fa2 h ALA 697 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fa2 h ALA 697 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fa2 h ALA 697 CO -0.22 0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3fa2 n GLY 698 N -1.02 -0.16 3.10 0.00 0.00 0.96 -4.82 105.19 103.25 3fa2 n GLY 698 Ca 0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 3fa2 n GLY 698 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa2 n GLY 699 N 0.81 -0.22 3.89 -0.02 0.00 -0.36 -0.33 105.19 108.96 3fa2 n GLY 699 Ca 0.07 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3fa2 n GLY 699 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fa2 s GLY 700 N -3.42 2.15 -0.14 -0.02 0.00 -0.90 -2.67 107.32 102.33 3fa2 s GLY 700 Ca 0.37 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 3fa2 s GLY 700 CO 0.57 -1.74 0.00 1.20 0.00 0.00 0.00 173.10 173.14 3fa2 s GLN 701 N -4.20 3.49 0.25 2.90 -1.52 -0.69 -4.45 119.66 115.45 3fa2 s GLN 701 Ca 0.47 -0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 3fa2 s GLN 701 Cb -0.03 -2.95 -0.09 0.00 -0.22 0.00 0.00 33.01 29.72 3fa2 s GLN 701 CO 0.28 0.43 1.12 0.42 -0.25 0.00 0.00 175.29 177.29 3fa2 s ILE 702 N -0.12 3.52 -0.22 1.08 -1.09 -1.26 0.18 121.20 123.29 3fa2 s ILE 702 Ca 0.04 1.45 -0.11 0.00 -2.23 0.00 0.00 60.65 59.81 3fa2 s ILE 702 Cb -0.13 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3fa2 s ILE 702 CO 0.02 0.31 0.16 -0.76 -1.23 0.00 0.00 174.94 173.45 3fa2 s LEU 703 N -1.11 4.16 0.34 2.97 1.43 0.38 -4.75 118.68 122.10 3fa2 s LEU 703 Ca 0.47 0.20 0.18 0.00 -1.03 0.00 0.00 54.13 53.94 3fa2 s LEU 703 Cb -0.32 -2.13 0.40 0.00 0.03 0.00 0.00 46.19 44.17 3fa2 s LEU 703 CO 0.40 0.11 1.60 0.28 0.23 0.00 0.00 176.35 178.96 3fa2 h SER 704 N 7.12 0.00 -3.70 2.29 0.02 -1.96 -3.41 113.55 113.91 3fa2 h SER 704 Ca -0.39 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.93 3fa2 h SER 704 Cb 1.16 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.50 3fa2 h SER 704 CO 0.71 0.40 -0.84 -0.13 -1.14 0.00 0.00 176.83 175.83 3fa2 s ARG 705 N -3.26 1.36 -0.06 3.45 0.52 -1.26 -5.09 118.95 114.61 3fa2 s ARG 705 Ca 0.02 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 53.56 3fa2 s ARG 705 Cb 0.09 -1.70 -0.05 0.00 0.52 0.00 0.00 34.95 33.81 3fa2 s ARG 705 CO 0.71 0.38 1.47 0.21 0.02 0.00 0.00 175.30 178.09 3fa2 s LYS 706 N -2.31 4.23 0.59 3.54 2.20 -1.26 -4.95 119.74 121.78 3fa2 s LYS 706 Ca 0.15 1.99 -0.18 0.00 -0.36 0.00 0.00 55.97 57.57 3fa2 s LYS 706 Cb -0.09 -3.78 -0.06 0.00 -1.51 0.00 0.00 37.83 32.39 3fa2 s LYS 706 CO 0.07 -0.72 0.79 -2.30 -0.36 0.00 0.00 175.35 172.83 3fa2 n PRO 707 N 6.37 0.73 0.00 4.03 -0.02 -1.26 -5.12 135.00 139.73 3fa2 n PRO 707 Ca 0.15 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3fa2 n PRO 707 Cb 0.43 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3fa2 n PRO 707 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fa2 n LYS 708 N -0.65 0.00 0.00 -0.52 5.02 -1.26 -5.14 118.16 115.61 3fa2 n LYS 708 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3fa2 n LYS 708 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 3fa2 n LYS 708 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3fa2 n SER 711 N 0.00 0.00 -0.04 4.39 7.64 -1.26 -4.80 113.62 119.54 3fa2 n SER 711 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 3fa2 n SER 711 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 3fa2 n SER 711 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3fa2 h ASP 712 N 0.00 0.79 0.65 6.43 3.04 -2.03 -2.82 116.42 122.48 3fa2 h ASP 712 Ca 0.00 -0.60 -0.15 0.00 -3.24 0.00 0.00 57.03 53.04 3fa2 h ASP 712 Cb 0.00 -0.23 -0.02 0.00 -1.04 0.00 0.00 39.33 38.04 3fa2 h ASP 712 CO 0.00 1.26 -0.71 0.58 -2.04 0.00 0.00 179.24 178.32 3fa2 h VAL 713 N 0.38 1.49 0.12 4.15 2.07 -1.98 -3.26 116.25 119.22 3fa2 h VAL 713 Ca -0.02 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 3fa2 h VAL 713 Cb 1.19 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3fa2 h VAL 713 CO 0.12 0.69 -0.06 0.71 0.02 0.00 0.00 177.57 179.05 3fa2 h THR 714 N 0.04 0.00 0.00 2.57 1.35 -1.83 -2.84 112.91 112.20 3fa2 h THR 714 Ca -0.01 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3fa2 h THR 714 Cb 1.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3fa2 h THR 714 CO 0.10 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 3fa2 n GLN 715 N -3.63 0.17 0.07 4.72 6.02 -1.08 -2.19 117.38 121.46 3fa2 n GLN 715 Ca -0.02 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 3fa2 n GLN 715 Cb 0.06 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.85 3fa2 n GLN 715 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3fa2 h THR 716 N 0.00 1.43 -2.29 5.09 1.35 -1.67 -3.44 112.91 113.37 3fa2 h THR 716 Ca 0.00 -2.32 -0.57 0.00 -0.55 0.00 0.00 66.41 62.97 3fa2 h THR 716 Cb 0.37 2.25 0.04 0.00 -1.73 0.00 0.00 68.15 69.08 3fa2 h THR 716 CO 0.00 0.68 0.95 -0.38 -0.25 0.00 0.00 175.52 176.53 3fa2 n ILE 717 N -3.77 0.22 -2.76 6.82 5.41 -0.93 -4.91 119.36 119.44 3fa2 n ILE 717 Ca -0.04 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 3fa2 n ILE 717 Cb 0.74 -1.77 0.02 0.00 -0.71 0.00 0.00 39.64 37.91 3fa2 n ILE 717 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3fa2 n ASN 718 N 4.69 1.51 -4.95 4.38 5.15 -1.26 -5.01 115.26 119.77 3fa2 n ASN 718 Ca 0.18 -2.83 -0.23 0.00 -0.60 0.00 0.00 54.58 51.11 3fa2 n ASN 718 Cb 0.31 -0.54 0.01 0.00 -0.53 0.00 0.00 39.78 39.03 3fa2 n ASN 718 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3fa2 s THR 719 N -3.11 3.95 -0.02 -0.44 -4.23 -1.26 -5.11 115.64 105.41 3fa2 s THR 719 Ca 0.31 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 3fa2 s THR 719 Cb 0.43 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 3fa2 s THR 719 CO 0.00 -0.31 -0.10 0.68 -0.54 0.00 0.00 174.62 174.34 3fa2 s VAL 720 N -2.55 3.37 -0.58 2.29 -7.23 -1.26 -4.54 120.40 109.91 3fa2 s VAL 720 Ca 0.49 -0.75 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 3fa2 s VAL 720 Cb -0.10 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.49 3fa2 s VAL 720 CO 0.38 0.49 0.98 0.00 -0.31 0.00 0.00 175.10 176.64 3fa2 s ALA 721 N -0.87 3.12 0.27 1.32 0.00 -0.15 -4.34 121.76 121.11 3fa2 s ALA 721 Ca 0.14 -1.29 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 3fa2 s ALA 721 Cb -0.11 -3.80 0.60 0.00 0.00 0.00 0.00 23.12 19.81 3fa2 s ALA 721 CO 0.04 -2.50 1.70 -0.92 0.00 0.00 0.00 175.76 174.08 3fa2 h TYR 722 N 9.40 0.54 -0.03 0.00 3.20 -1.90 0.21 116.97 128.40 3fa2 h TYR 722 Ca -0.26 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3fa2 h TYR 722 Cb 1.07 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3fa2 h TYR 722 CO 0.94 -0.02 0.00 0.72 -1.64 0.00 0.00 178.16 178.16 3fa2 n HIS 723 N -5.05 0.04 -3.04 -3.82 8.25 -1.26 -4.78 115.22 105.55 3fa2 n HIS 723 Ca 0.18 -0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 57.28 3fa2 n HIS 723 Cb 0.55 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 3fa2 n HIS 723 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fa2 s ALA 724 N -1.96 3.30 0.29 -1.41 0.00 0.06 -4.23 121.76 117.81 3fa2 s ALA 724 Ca 0.31 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 3fa2 s ALA 724 Cb 0.15 -2.89 -0.12 0.00 0.00 0.00 0.00 23.12 20.27 3fa2 s ALA 724 CO 0.24 0.29 1.62 -2.13 0.00 0.00 0.00 175.76 175.78 3fa2 n ARG 725 N 0.09 2.75 -0.32 0.00 0.63 -1.26 -4.84 116.66 113.71 3fa2 n ARG 725 Ca 0.02 0.98 0.22 0.00 -0.92 0.00 0.00 57.85 58.15 3fa2 n ARG 725 Cb 0.52 -2.78 0.43 0.00 0.45 0.00 0.00 32.46 31.09 3fa2 n ARG 725 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3fa2 h PRO 726 N 4.95 0.12 -0.86 -0.14 0.11 -1.93 -1.43 132.00 132.83 3fa2 h PRO 726 Ca -0.47 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 3fa2 h PRO 726 Cb 1.22 -0.03 -0.40 0.00 0.11 0.00 0.00 31.00 31.90 3fa2 h PRO 726 CO 0.81 0.08 -0.44 -0.40 -0.21 0.00 0.00 178.00 177.83 3fa2 n ASP 727 N -5.25 5.53 -4.96 -2.05 5.75 -1.26 -4.90 116.55 109.40 3fa2 n ASP 727 Ca 0.30 -3.76 -0.23 0.00 -0.01 0.00 0.00 54.79 51.08 3fa2 n ASP 727 Cb 0.97 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 3fa2 n ASP 727 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fa2 s SER 728 N -3.20 6.33 0.47 -1.12 1.04 -0.54 -5.01 113.70 111.67 3fa2 s SER 728 Ca 0.54 0.12 0.24 0.00 0.48 0.00 0.00 55.95 57.33 3fa2 s SER 728 Cb 0.43 -1.89 1.16 0.00 0.10 0.00 0.00 66.02 65.83 3fa2 s SER 728 CO 0.01 -0.01 1.95 0.44 0.98 0.00 0.00 173.24 176.61 3fa2 h ASP 729 N 1.64 0.00 0.45 7.02 3.32 -1.94 -2.61 116.42 124.31 3fa2 h ASP 729 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3fa2 h ASP 729 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3fa2 h ASP 729 CO 0.65 0.20 0.00 1.56 -1.72 0.00 0.00 179.24 179.92 3fa2 h GLN 730 N 0.00 0.00 -0.72 3.56 4.20 -1.89 0.14 115.11 120.40 3fa2 h GLN 730 Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3fa2 h GLN 730 Cb 0.53 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3fa2 h GLN 730 CO 0.03 0.00 0.43 -0.09 -0.67 0.00 0.00 178.83 178.53 3fa2 h ARG 731 N 0.00 0.79 0.00 1.46 9.65 -1.66 -3.37 114.38 121.26 3fa2 h ARG 731 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3fa2 h ARG 731 Cb 0.23 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3fa2 h ARG 731 CO 0.00 0.52 0.00 1.97 2.80 0.00 0.00 179.97 185.26 3fa2 n PHE 732 N -4.70 0.00 -3.55 2.20 -1.74 -0.90 -0.98 117.46 107.78 3fa2 n PHE 732 Ca 0.09 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.57 3fa2 n PHE 732 Cb 0.14 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.07 3fa2 n PHE 732 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3fa2 n THR 734 N 4.08 1.15 -4.24 0.00 -2.24 -1.21 -4.35 114.28 107.47 3fa2 n THR 734 Ca 0.05 -1.14 -0.34 0.00 -2.27 0.00 0.00 64.05 60.34 3fa2 n THR 734 Cb 0.41 0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 3fa2 n THR 734 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fa2 s GLN 735 N -1.25 3.67 -0.07 -0.78 -0.21 -1.08 -0.58 119.66 119.37 3fa2 s GLN 735 Ca 0.16 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 55.14 3fa2 s GLN 735 Cb 0.10 -3.01 0.01 0.00 1.00 0.00 0.00 33.01 31.11 3fa2 s GLN 735 CO 0.09 0.34 -0.12 0.71 -2.12 0.00 0.00 175.29 174.19 3fa2 s TYR 736 N 0.13 1.48 -0.39 0.91 1.51 0.13 -0.74 117.35 120.38 3fa2 s TYR 736 Ca 0.02 -0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 55.36 3fa2 s TYR 736 Cb -0.13 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 3fa2 s TYR 736 CO 0.02 -0.29 0.40 0.42 -1.11 0.00 0.00 175.55 174.99 3fa2 s ILE 737 N 0.70 5.12 -0.21 2.71 1.01 0.36 -0.60 121.20 130.28 3fa2 s ILE 737 Ca -0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3fa2 s ILE 737 Cb -0.16 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3fa2 s ILE 737 CO 0.03 -0.28 0.14 -0.63 0.00 0.00 0.00 174.94 174.20 3fa2 s ILE 738 N 2.08 5.38 0.15 2.92 -1.09 0.20 -1.20 121.20 129.63 3fa2 s ILE 738 Ca 0.12 0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.76 3fa2 s ILE 738 Cb -0.17 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3fa2 s ILE 738 CO 0.13 0.41 -0.09 -0.72 -1.23 0.00 0.00 174.94 173.43 3fa2 s TYR 739 N 0.62 1.24 -0.31 3.97 1.13 -0.79 0.01 117.35 123.22 3fa2 s TYR 739 Ca 0.08 -0.78 -0.22 0.00 -1.41 0.00 0.00 57.07 54.73 3fa2 s TYR 739 Cb -0.12 -0.64 -0.00 0.00 -1.10 0.00 0.00 41.96 40.10 3fa2 s TYR 739 CO 0.00 0.05 0.74 -2.00 -2.51 0.00 0.00 175.55 171.84 3fa2 s GLU 740 N -3.76 3.94 0.75 -3.49 2.56 -1.26 0.22 118.70 117.65 3fa2 s GLU 740 Ca 0.17 0.49 -0.13 0.00 0.00 0.00 0.00 54.97 55.49 3fa2 s GLU 740 Cb 0.03 -3.73 0.05 0.00 2.00 0.00 0.00 34.13 32.48 3fa2 s GLU 740 CO 0.00 -0.65 1.14 0.34 -0.56 0.00 0.00 175.26 175.54 3fa2 s ASP 741 N 1.63 4.33 0.05 -1.70 2.15 -1.26 -4.94 116.67 116.93 3fa2 s ASP 741 Ca 0.30 2.10 0.08 0.00 0.43 0.00 0.00 52.55 55.46 3fa2 s ASP 741 Cb -0.14 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3fa2 s ASP 741 CO 0.12 -2.16 -0.20 -0.76 -0.17 0.00 0.00 175.17 172.00 3fa2 s LEU 742 N -5.47 2.50 0.27 -1.34 1.43 -1.26 -5.05 118.68 109.76 3fa2 s LEU 742 Ca 0.68 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3fa2 s LEU 742 Cb -0.23 -1.46 0.50 0.00 0.03 0.00 0.00 46.19 45.04 3fa2 s LEU 742 CO 0.48 0.25 1.83 0.00 0.23 0.00 0.00 176.35 179.14 3fa2 n ASN 744 N -4.66 6.12 -4.55 0.00 6.94 -1.26 -4.94 115.26 112.92 3fa2 n ASN 744 Ca 0.17 -3.76 -0.40 0.00 -0.02 0.00 0.00 54.58 50.57 3fa2 n ASN 744 Cb 0.33 -0.78 -0.11 0.00 -2.36 0.00 0.00 39.78 36.86 3fa2 n ASN 744 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3fa2 s TYR 745 N -3.66 3.23 -0.53 -2.53 5.04 -0.12 -5.03 117.35 113.74 3fa2 s TYR 745 Ca 0.59 -0.09 0.03 0.00 -2.44 0.00 0.00 57.07 55.16 3fa2 s TYR 745 Cb 0.47 -2.47 0.13 0.00 0.35 0.00 0.00 41.96 40.45 3fa2 s TYR 745 CO 0.02 -0.31 0.27 -1.01 -1.34 0.00 0.00 175.55 173.18 3fa2 s HIS 746 N 1.76 3.23 0.00 4.97 3.76 -1.26 -4.84 115.29 122.91 3fa2 s HIS 746 Ca 0.07 -3.12 0.00 0.00 -0.15 0.00 0.00 55.06 51.86 3fa2 s HIS 746 Cb -0.17 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.65 3fa2 s HIS 746 CO 0.11 -0.76 0.00 -2.30 -0.85 0.00 0.00 174.74 170.94 3fa2 n PRO 747 N 3.19 3.22 -1.86 8.40 -0.02 -1.26 -5.16 135.00 141.51 3fa2 n PRO 747 Ca 0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 3fa2 n PRO 747 Cb 0.33 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 33.92 3fa2 n PRO 747 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3fa2 s ARG 749 N 0.00 1.61 0.00 -0.52 3.52 -1.26 -5.14 118.95 117.15 3fa2 s ARG 749 Ca 0.00 0.03 0.26 0.00 -0.13 0.00 0.00 55.73 55.88 3fa2 s ARG 749 Cb 0.00 -1.92 0.61 0.00 -1.56 0.00 0.00 34.95 32.08 3fa2 s ARG 749 CO 0.00 -1.83 1.47 1.33 -0.81 0.00 0.00 175.30 175.47 3fa2 n VAL 750 N -3.46 0.00 -3.77 7.11 0.24 -1.26 -4.87 118.33 112.32 3fa2 n VAL 750 Ca 0.09 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.34 62.12 3fa2 n VAL 750 Cb 0.61 0.49 -0.16 0.00 -1.47 0.00 0.00 33.84 33.31 3fa2 n VAL 750 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3fa2 s ARG 751 N -2.58 -0.04 -0.27 7.34 3.52 -1.26 -0.09 118.95 125.57 3fa2 s ARG 751 Ca 0.22 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.01 3fa2 s ARG 751 Cb 0.19 -0.24 0.07 0.00 -1.56 0.00 0.00 34.95 33.41 3fa2 s ARG 751 CO 0.56 -0.16 -0.01 -1.14 -0.81 0.00 0.00 175.30 173.73 3fa2 s GLN 752 N 1.04 1.49 5.12 5.12 0.74 0.16 -5.00 119.66 128.33 3fa2 s GLN 752 Ca -0.09 -1.22 0.00 0.00 0.05 0.00 0.00 55.36 54.10 3fa2 s GLN 752 Cb -0.12 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.33 3fa2 s GLN 752 CO -0.03 -0.73 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 3fa2 n GLY 753 N 4.59 0.60 0.26 2.59 0.00 -1.26 -2.48 105.19 109.49 3fa2 n GLY 753 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.19 3fa2 n GLY 753 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fa2 n LYS 754 N 12.20 1.28 -4.66 1.61 5.02 -1.26 -4.88 118.16 127.46 3fa2 n LYS 754 Ca 0.00 -0.38 -0.31 0.00 -2.02 0.00 0.00 58.31 55.60 3fa2 n LYS 754 Cb 0.00 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 33.69 3fa2 n LYS 754 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fa2 s VAL 755 N -1.78 1.86 0.07 -0.18 1.01 -1.04 -2.62 120.40 117.73 3fa2 s VAL 755 Ca 0.07 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3fa2 s VAL 755 Cb 0.04 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3fa2 s VAL 755 CO 0.04 0.51 0.23 0.26 0.00 0.00 0.00 175.10 176.14 3fa2 s TRP 756 N 0.81 3.52 -0.21 5.22 0.52 0.08 -0.67 118.94 128.21 3fa2 s TRP 756 Ca -0.08 0.27 -0.05 0.00 0.02 0.00 0.00 56.10 56.26 3fa2 s TRP 756 Cb -0.16 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 3fa2 s TRP 756 CO -0.01 0.57 -0.01 -1.59 0.02 0.00 0.00 176.95 175.94 3fa2 s LYS 757 N -2.55 3.54 -0.03 4.98 -2.85 0.87 -0.49 119.74 123.21 3fa2 s LYS 757 Ca 0.35 -0.55 0.05 0.00 -1.00 0.00 0.00 55.97 54.82 3fa2 s LYS 757 Cb -0.13 -3.06 -0.01 0.00 -2.06 0.00 0.00 37.83 32.57 3fa2 s LYS 757 CO 0.28 -0.06 -0.19 0.00 0.10 0.00 0.00 175.35 175.48 3fa2 s ALA 758 N 1.17 1.61 0.66 0.59 0.00 -0.34 -4.81 121.76 120.65 3fa2 s ALA 758 Ca 0.03 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 3fa2 s ALA 758 Cb -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3fa2 s ALA 758 CO 0.01 0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.96 3fa2 s PRO 759 N -0.24 2.85 0.40 0.00 0.04 -1.26 -1.89 135.00 134.89 3fa2 s PRO 759 Ca 0.02 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.42 3fa2 s PRO 759 Cb -0.09 -1.97 0.88 0.00 0.04 0.00 0.00 34.50 33.36 3fa2 s PRO 759 CO 0.01 -1.19 1.98 0.66 0.04 0.00 0.00 177.00 178.50 3fa2 h SER 760 N -0.14 0.51 -0.82 6.66 4.64 -0.59 -2.27 113.55 121.54 3fa2 h SER 760 Ca -0.46 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.97 3fa2 h SER 760 Cb 1.23 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.16 3fa2 h SER 760 CO 0.55 0.33 0.54 0.77 -0.87 0.00 0.00 176.83 178.14 3fa2 h SER 761 N 0.58 0.67 0.08 4.97 4.64 -1.91 -0.97 113.55 121.60 3fa2 h SER 761 Ca 0.28 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3fa2 h SER 761 Cb 0.34 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3fa2 h SER 761 CO -0.08 0.38 -0.04 -0.25 -0.87 0.00 0.00 176.83 175.97 3fa2 h TRP 762 N 0.73 -0.10 -0.95 4.77 7.01 -1.78 -0.32 115.95 125.31 3fa2 h TRP 762 Ca 0.39 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.48 3fa2 h TRP 762 Cb 0.51 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.53 3fa2 h TRP 762 CO -0.00 0.15 0.61 0.35 -2.79 0.00 0.00 178.44 176.77 3fa2 h PHE 763 N -0.35 1.08 0.03 2.65 3.57 -1.17 -0.19 116.94 122.55 3fa2 h PHE 763 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3fa2 h PHE 763 Cb 0.30 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3fa2 h PHE 763 CO 0.01 0.49 -0.01 0.82 -2.23 0.00 0.00 178.31 177.39 3fa2 h ILE 764 N 1.00 1.24 -0.76 1.41 1.08 -1.10 -2.82 117.51 117.56 3fa2 h ILE 764 Ca 0.44 -0.86 0.15 0.00 -0.39 0.00 0.00 64.86 64.21 3fa2 h ILE 764 Cb 0.36 1.82 -0.10 0.00 -3.07 0.00 0.00 36.82 35.83 3fa2 h ILE 764 CO -0.20 0.22 0.28 0.44 -0.69 0.00 0.00 178.15 178.19 3fa2 h ASP 765 N -0.41 0.22 -0.66 1.72 5.19 -0.63 -0.93 116.42 120.91 3fa2 h ASP 765 Ca -0.00 0.12 0.07 0.00 -0.62 0.00 0.00 57.03 56.60 3fa2 h ASP 765 Cb 0.38 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 3fa2 h ASP 765 CO 0.01 0.06 0.35 0.00 -3.12 0.00 0.00 179.24 176.53 3fa2 h VAL 767 N 0.62 1.28 -0.66 0.00 2.07 -1.06 0.12 116.25 118.61 3fa2 h VAL 767 Ca 0.31 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 3fa2 h VAL 767 Cb 0.26 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3fa2 h VAL 767 CO -0.22 0.46 0.17 0.24 0.02 0.00 0.00 177.57 178.24 3fa2 h MET 768 N 0.71 1.04 -0.23 1.57 2.07 -0.99 -2.92 114.93 116.19 3fa2 h MET 768 Ca 0.09 -0.23 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 3fa2 h MET 768 Cb 0.77 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.35 3fa2 h MET 768 CO 0.06 0.91 0.00 -1.13 1.07 0.00 0.00 176.91 177.82 3fa2 n SER 769 N -4.25 2.59 -3.92 1.22 3.41 -0.72 -3.96 113.62 107.99 3fa2 n SER 769 Ca 0.05 -1.85 -0.35 0.00 -0.26 0.00 0.00 58.87 56.45 3fa2 n SER 769 Cb 0.24 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3fa2 n SER 769 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3fa2 n PHE 770 N 0.94 -1.73 -3.66 7.33 7.35 -0.51 -4.00 117.46 123.18 3fa2 n PHE 770 Ca 0.17 0.45 -0.09 0.00 -0.76 0.00 0.00 57.45 57.23 3fa2 n PHE 770 Cb 0.49 -2.81 -0.09 0.00 0.35 0.00 0.00 39.48 37.42 3fa2 n PHE 770 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3fa2 s GLU 771 N -6.17 0.57 -0.81 -4.13 2.12 0.29 -4.89 118.70 105.68 3fa2 s GLU 771 Ca 0.26 1.03 -0.25 0.00 0.36 0.00 0.00 54.97 56.37 3fa2 s GLU 771 Cb -0.14 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.37 3fa2 s GLU 771 CO 0.93 -0.15 1.27 -1.17 -0.54 0.00 0.00 175.26 175.60 3fa2 s LEU 772 N 1.52 3.54 0.46 2.70 1.98 -1.26 -4.20 118.68 123.43 3fa2 s LEU 772 Ca -0.10 -0.88 -0.20 0.00 -2.89 0.00 0.00 54.13 50.06 3fa2 s LEU 772 Cb -0.06 -2.53 -0.10 0.00 0.66 0.00 0.00 46.19 44.16 3fa2 s LEU 772 CO -0.17 -1.65 0.99 -0.76 -1.89 0.00 0.00 176.35 172.88 3fa2 s LEU 773 N 5.11 3.88 0.73 -0.68 1.43 -1.26 -4.82 118.68 123.07 3fa2 s LEU 773 Ca 0.36 1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 3fa2 s LEU 773 Cb -0.07 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.64 3fa2 s LEU 773 CO 0.06 -0.57 1.14 -2.16 0.23 0.00 0.00 176.35 175.06 3fa2 s PRO 774 N -3.26 2.31 0.00 1.29 0.04 -1.26 -5.08 135.00 129.04 3fa2 s PRO 774 Ca 0.64 1.50 0.09 0.00 0.04 0.00 0.00 61.00 63.28 3fa2 s PRO 774 Cb -0.12 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.61 3fa2 s PRO 774 CO 0.17 -1.65 0.80 1.28 0.04 0.00 0.00 177.00 177.64