#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa2 s ASP 567 N 0.00 6.56 1.08 0.55 1.01 -1.26 -5.06 116.67 119.55 3fa2 s ASP 567 Ca 0.00 1.72 -0.15 0.00 0.71 0.00 0.00 52.55 54.83 3fa2 s ASP 567 Cb 0.00 -2.53 0.23 0.00 1.01 0.00 0.00 42.92 41.63 3fa2 s ASP 567 CO 0.00 -0.63 1.11 -0.83 0.21 0.00 0.00 175.17 175.03 3fa2 s GLY 568 N -2.48 1.57 0.40 0.21 0.00 -1.26 -4.98 107.32 100.79 3fa2 s GLY 568 Ca 0.62 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 44.46 3fa2 s GLY 568 CO 0.23 0.10 1.20 -4.14 0.00 0.00 0.00 173.10 170.48 3fa2 s PRO 569 N -5.17 4.02 0.67 2.90 0.02 -1.26 -4.96 135.00 131.21 3fa2 s PRO 569 Ca 0.68 1.90 -0.17 0.00 0.02 0.00 0.00 61.00 63.42 3fa2 s PRO 569 Cb -0.15 -2.68 -0.01 0.00 0.02 0.00 0.00 34.50 31.69 3fa2 s PRO 569 CO 0.57 -0.37 1.15 1.28 -0.33 0.00 0.00 177.00 179.30 3fa2 n LEU 570 N 0.06 4.89 -3.80 -5.54 4.77 -1.26 -4.87 117.00 111.24 3fa2 n LEU 570 Ca 0.04 0.77 -0.29 0.00 -0.03 0.00 0.00 56.01 56.50 3fa2 n LEU 570 Cb 0.46 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 39.91 3fa2 n LEU 570 CO 0.51 -1.47 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.05 3fa2 s VAL 571 N -1.56 0.97 0.19 4.08 1.01 -1.26 -3.03 120.40 120.79 3fa2 s VAL 571 Ca 0.79 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3fa2 s VAL 571 Cb -0.37 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3fa2 s VAL 571 CO 0.44 -0.31 0.20 -0.76 0.00 0.00 0.00 175.10 174.68 3fa2 s LEU 572 N 1.63 3.98 -0.08 3.92 1.43 -0.95 0.30 118.68 128.91 3fa2 s LEU 572 Ca 0.01 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 3fa2 s LEU 572 Cb -0.18 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.53 3fa2 s LEU 572 CO -0.12 0.03 0.50 -0.51 0.23 0.00 0.00 176.35 176.48 3fa2 s ILE 573 N -1.85 0.02 0.09 -0.59 2.07 -0.04 -0.78 121.20 120.12 3fa2 s ILE 573 Ca 0.32 -0.17 0.05 0.00 -1.41 0.00 0.00 60.65 59.44 3fa2 s ILE 573 Cb -0.10 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 3fa2 s ILE 573 CO 0.25 -0.10 0.01 -0.83 -1.91 0.00 0.00 174.94 172.37 3fa2 s GLY 574 N -0.80 1.93 -0.08 1.50 0.00 -1.26 -0.22 107.32 108.39 3fa2 s GLY 574 Ca -0.09 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 3fa2 s GLY 574 CO 0.05 -1.08 0.00 -0.45 0.00 0.00 0.00 173.10 171.62 3fa2 s SER 575 N -2.29 1.71 -1.49 1.64 0.15 -0.43 -4.78 113.70 108.21 3fa2 s SER 575 Ca 0.26 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.76 3fa2 s SER 575 Cb -0.12 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 3fa2 s SER 575 CO 0.18 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.03 3fa2 n GLY 576 N 5.13 0.17 3.86 9.45 0.00 -1.26 -4.02 105.19 118.53 3fa2 n GLY 576 Ca -0.07 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.48 3.61 1.28 0.99 1.43 -1.26 -4.56 118.68 115.69 3fa2 s LEU 577 Ca 0.00 1.35 -0.20 0.00 -1.03 0.00 0.00 54.13 54.24 3fa2 s LEU 577 Cb 0.00 -4.29 0.31 0.00 0.03 0.00 0.00 46.19 42.24 3fa2 s LEU 577 CO 0.00 -0.58 1.05 -0.55 0.23 0.00 0.00 176.35 176.50 3fa2 s SER 578 N -3.40 0.25 0.06 2.29 0.15 -1.26 -4.85 113.70 106.94 3fa2 s SER 578 Ca 0.55 0.72 -0.11 0.00 0.70 0.00 0.00 55.95 57.80 3fa2 s SER 578 Cb -0.10 -1.01 -0.29 0.00 -1.71 0.00 0.00 66.02 62.91 3fa2 s SER 578 CO 0.37 -4.54 1.10 0.28 1.20 0.00 0.00 173.24 171.64 3fa2 h SER 579 N -2.87 0.71 0.11 5.45 0.02 -1.98 -2.51 113.55 112.49 3fa2 h SER 579 Ca -0.45 -0.71 -0.01 0.00 -0.84 0.00 0.00 61.79 59.78 3fa2 h SER 579 Cb 1.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3fa2 h SER 579 CO 0.32 1.54 -0.05 -0.33 -1.14 0.00 0.00 176.83 177.17 3fa2 h GLU 580 N 0.17 -0.15 -0.98 3.45 4.39 -1.99 -1.89 114.58 117.59 3fa2 h GLU 580 Ca -0.19 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.73 3fa2 h GLU 580 Cb 1.99 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 30.58 3fa2 h GLU 580 CO 0.24 0.15 0.62 1.96 -1.16 0.00 0.00 179.01 180.81 3fa2 h GLN 581 N -0.44 0.56 -0.25 2.33 4.20 -1.94 0.35 115.11 119.92 3fa2 h GLN 581 Ca -0.02 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 3fa2 h GLN 581 Cb 0.36 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fa2 h GLN 581 CO 0.03 0.37 -0.57 0.37 -0.67 0.00 0.00 178.83 178.36 3fa2 h GLN 582 N 0.58 0.80 0.04 1.46 5.75 -1.34 -0.38 115.11 122.01 3fa2 h GLN 582 Ca 0.54 -0.52 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3fa2 h GLN 582 Cb 1.10 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.71 3fa2 h GLN 582 CO -0.30 1.15 -0.02 0.87 -2.65 0.00 0.00 178.83 177.88 3fa2 h LYS 583 N 0.61 -0.06 -0.88 1.69 1.57 -0.41 -2.37 116.57 116.72 3fa2 h LYS 583 Ca 0.01 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.97 3fa2 h LYS 583 Cb 1.17 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 3fa2 h LYS 583 CO 0.12 0.10 0.44 0.52 -0.57 0.00 0.00 179.45 180.07 3fa2 h MET 584 N -0.20 0.54 -0.45 3.15 2.86 -0.33 -1.48 114.93 119.03 3fa2 h MET 584 Ca -0.01 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3fa2 h MET 584 Cb 0.18 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3fa2 h MET 584 CO 0.01 0.36 -0.18 1.25 1.06 0.00 0.00 176.91 179.41 3fa2 h LEU 585 N 0.56 0.93 -0.99 1.22 5.85 -0.90 -2.57 115.31 119.41 3fa2 h LEU 585 Ca 0.51 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3fa2 h LEU 585 Cb 0.82 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3fa2 h LEU 585 CO -0.42 1.11 -0.45 0.77 -0.34 0.00 0.00 178.44 179.10 3fa2 h SER 586 N 0.74 0.11 0.37 1.25 4.64 -1.04 -2.65 113.55 116.97 3fa2 h SER 586 Ca 0.10 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3fa2 h SER 586 Cb 0.74 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3fa2 h SER 586 CO 0.06 0.56 -0.30 -0.08 -0.87 0.00 0.00 176.83 176.19 3fa2 h GLU 587 N 0.09 0.00 -0.18 4.77 4.81 -1.06 -2.68 114.58 120.33 3fa2 h GLU 587 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 3fa2 h GLU 587 Cb 0.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.23 3fa2 h GLU 587 CO 0.06 0.30 -0.67 1.25 -0.73 0.00 0.00 179.01 179.23 3fa2 h LEU 588 N 0.00 0.90 0.12 1.64 5.85 -1.12 -3.10 115.31 119.60 3fa2 h LEU 588 Ca -0.00 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.12 3fa2 h LEU 588 Cb 0.57 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3fa2 h LEU 588 CO 0.04 1.35 -0.14 0.00 -0.34 0.00 0.00 178.44 179.35 3fa2 h ALA 589 N 0.57 -0.26 -0.76 1.25 0.00 -1.19 0.87 119.26 119.73 3fa2 h ALA 589 Ca -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3fa2 h ALA 589 Cb 1.29 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3fa2 h ALA 589 CO 0.14 -0.67 0.33 -0.39 0.00 0.00 0.00 179.25 178.66 3fa2 h VAL 590 N -0.29 1.25 -0.41 0.00 -1.51 -1.69 0.48 116.25 114.07 3fa2 h VAL 590 Ca 0.01 -0.74 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 3fa2 h VAL 590 Cb 0.29 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 3fa2 h VAL 590 CO -0.05 0.31 0.16 0.40 -1.23 0.00 0.00 177.57 177.16 3fa2 h ILE 591 N 1.10 1.20 -0.01 7.19 2.04 -1.33 -2.61 117.51 125.10 3fa2 h ILE 591 Ca 0.26 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3fa2 h ILE 591 Cb 0.16 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3fa2 h ILE 591 CO -0.03 0.22 -0.03 0.18 0.00 0.00 0.00 178.15 178.49 3fa2 n LEU 592 N -4.64 0.63 -3.17 1.44 4.77 0.30 -4.96 117.00 111.36 3fa2 n LEU 592 Ca 0.00 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 3fa2 n LEU 592 Cb 0.14 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3fa2 n LEU 592 CO 0.37 0.11 0.11 1.17 -1.33 0.00 0.00 177.39 177.81 3fa2 n LYS 593 N -0.61 -1.99 -4.09 3.23 3.00 0.13 -4.89 118.16 112.94 3fa2 n LYS 593 Ca 0.19 1.01 -0.12 0.00 -0.00 0.00 0.00 58.31 59.39 3fa2 n LYS 593 Cb 0.24 -5.75 -0.06 0.00 0.00 0.00 0.00 35.03 29.46 3fa2 n LYS 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fa2 s ALA 594 N -3.29 0.53 0.28 3.14 0.00 0.10 -4.73 121.76 117.79 3fa2 s ALA 594 Ca 0.34 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 3fa2 s ALA 594 Cb -0.04 1.19 -0.08 0.00 0.00 0.00 0.00 23.12 24.18 3fa2 s ALA 594 CO 0.73 -0.77 0.68 0.15 0.00 0.00 0.00 175.76 176.55 3fa2 s LYS 595 N -3.64 3.99 -0.05 0.00 1.02 -1.17 -4.19 119.74 115.70 3fa2 s LYS 595 Ca 0.30 0.59 0.05 0.00 0.02 0.00 0.00 55.97 56.93 3fa2 s LYS 595 Cb 0.01 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 3fa2 s LYS 595 CO 0.15 0.25 -0.18 0.21 -0.92 0.00 0.00 175.35 174.85 3fa2 s LYS 596 N -2.74 2.47 0.26 1.68 2.20 -1.26 -2.23 119.74 120.13 3fa2 s LYS 596 Ca 0.50 -0.77 0.09 0.00 -0.36 0.00 0.00 55.97 55.42 3fa2 s LYS 596 Cb -0.12 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 3fa2 s LYS 596 CO 0.19 0.55 0.08 0.71 -0.36 0.00 0.00 175.35 176.52 3fa2 s TYR 597 N -0.57 2.85 -0.03 4.03 2.02 0.04 -4.95 117.35 120.74 3fa2 s TYR 597 Ca 0.08 -0.19 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 3fa2 s TYR 597 Cb -0.11 -1.29 -0.14 0.00 -0.40 0.00 0.00 41.96 40.02 3fa2 s TYR 597 CO 0.01 0.57 0.17 0.25 -1.57 0.00 0.00 175.55 174.98 3fa2 n THR 598 N -1.01 0.13 -5.27 -0.71 -2.24 -1.26 -4.38 114.28 99.53 3fa2 n THR 598 Ca -0.07 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 3fa2 n THR 598 Cb 0.59 0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.56 2.26 0.44 -0.78 0.41 -1.26 -4.97 118.70 112.24 3fa2 s GLU 599 Ca -0.04 -0.91 -0.24 0.00 -0.41 0.00 0.00 54.97 53.38 3fa2 s GLU 599 Cb 0.05 -2.09 -0.08 0.00 -1.78 0.00 0.00 34.13 30.23 3fa2 s GLU 599 CO 0.39 0.51 1.19 0.12 -0.49 0.00 0.00 175.26 176.98 3fa2 s PHE 600 N -0.49 2.89 0.05 1.61 5.36 -1.26 -5.05 117.98 121.09 3fa2 s PHE 600 Ca 0.06 1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 57.47 3fa2 s PHE 600 Cb -0.11 -3.43 -0.00 0.00 -0.34 0.00 0.00 43.02 39.13 3fa2 s PHE 600 CO 0.00 -1.59 0.17 0.34 -1.46 0.00 0.00 175.22 172.68 3fa2 s ASP 601 N -1.22 0.09 0.63 6.13 2.15 -1.26 -5.03 116.67 118.17 3fa2 s ASP 601 Ca 0.62 -0.47 0.37 0.00 0.43 0.00 0.00 52.55 53.49 3fa2 s ASP 601 Cb -0.31 0.28 2.07 0.00 -0.30 0.00 0.00 42.92 44.66 3fa2 s ASP 601 CO 0.38 -0.58 2.26 0.77 -0.17 0.00 0.00 175.17 177.82 3fa2 h SER 602 N 3.36 0.00 1.04 -0.34 4.64 -1.97 -1.96 113.55 118.33 3fa2 h SER 602 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3fa2 h SER 602 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fa2 h SER 602 CO 0.51 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.82 3fa2 n THR 603 N -3.39 0.18 -1.73 2.95 -2.24 -1.26 -4.83 114.28 103.96 3fa2 n THR 603 Ca -0.02 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3fa2 n THR 603 Cb 0.14 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 3fa2 n THR 603 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fa2 s VAL 604 N -3.02 2.65 -0.15 2.28 1.01 -0.74 -4.54 120.40 117.89 3fa2 s VAL 604 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3fa2 s VAL 604 Cb 0.17 -3.06 -0.24 0.00 0.00 0.00 0.00 36.38 33.26 3fa2 s VAL 604 CO 0.52 -0.00 0.24 0.35 0.00 0.00 0.00 175.10 176.22 3fa2 n THR 605 N 4.86 1.67 -4.51 3.92 -2.24 0.15 -4.83 114.28 113.29 3fa2 n THR 605 Ca 0.18 -0.67 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 3fa2 n THR 605 Cb 0.39 -1.50 -0.16 0.00 -2.10 0.00 0.00 70.33 66.96 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 -2.55 1.22 -0.16 4.78 3.76 -0.92 -1.91 115.29 119.50 3fa2 s HIS 606 Ca -0.22 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 3fa2 s HIS 606 Cb 0.07 -0.88 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3fa2 s HIS 606 CO 0.74 -0.17 -0.16 0.08 -0.85 0.00 0.00 174.74 174.38 3fa2 s VAL 607 N 0.37 2.58 -0.21 -0.90 1.01 0.01 -0.86 120.40 122.40 3fa2 s VAL 607 Ca -0.07 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 3fa2 s VAL 607 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3fa2 s VAL 607 CO 0.02 0.51 0.03 -0.69 0.00 0.00 0.00 175.10 174.98 3fa2 s VAL 608 N 0.95 4.29 0.26 2.92 1.01 0.70 -1.34 120.40 129.19 3fa2 s VAL 608 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3fa2 s VAL 608 Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3fa2 s VAL 608 CO -0.03 0.42 0.29 0.68 0.00 0.00 0.00 175.10 176.47 3fa2 s VAL 609 N 0.94 4.64 0.07 2.92 -7.23 -0.37 -1.32 120.40 120.06 3fa2 s VAL 609 Ca 0.03 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 3fa2 s VAL 609 Cb -0.14 -3.56 -0.27 0.00 0.56 0.00 0.00 36.38 32.97 3fa2 s VAL 609 CO 0.02 -0.31 1.15 1.55 -0.31 0.00 0.00 175.10 177.21 3fa2 h PRO 610 N 1.29 0.55 0.00 4.82 0.13 -1.80 -1.98 132.00 135.00 3fa2 h PRO 610 Ca -0.49 -0.71 0.00 0.00 -0.87 0.00 0.00 66.00 63.92 3fa2 h PRO 610 Cb 1.24 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.60 3fa2 h PRO 610 CO 0.60 1.31 0.00 0.41 -0.23 0.00 0.00 178.00 180.09 3fa2 n GLY 611 N 1.30 0.71 0.65 1.56 0.00 -1.26 -4.02 105.19 104.12 3fa2 n GLY 611 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3fa2 n GLY 611 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fa2 n ASP 612 N 0.00 0.97 -4.70 1.61 5.68 -1.26 -4.15 116.55 114.70 3fa2 n ASP 612 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 3fa2 n ASP 612 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 3fa2 n ASP 612 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fa2 n ALA 613 N -2.23 1.23 -1.85 2.12 0.00 -1.26 -4.86 120.51 113.66 3fa2 n ALA 613 Ca 0.00 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 3fa2 n ALA 613 Cb 0.20 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.33 3fa2 n ALA 613 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fa2 s VAL 614 N -1.19 4.43 -0.04 0.00 0.11 -1.26 -4.89 120.40 117.56 3fa2 s VAL 614 Ca 0.60 1.42 -0.02 0.00 -2.93 0.00 0.00 61.98 61.06 3fa2 s VAL 614 Cb -0.52 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 3fa2 s VAL 614 CO 0.59 -0.33 0.07 -1.58 -3.33 0.00 0.00 175.10 170.52 3fa2 s GLN 615 N -3.21 3.11 -0.10 1.54 0.74 -1.26 -5.00 119.66 115.48 3fa2 s GLN 615 Ca 0.61 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.63 3fa2 s GLN 615 Cb -0.09 -2.90 0.18 0.00 1.10 0.00 0.00 33.01 31.30 3fa2 s GLN 615 CO 0.14 0.68 1.15 0.45 -0.55 0.00 0.00 175.29 177.17 3fa2 n SER 616 N 1.53 3.00 -4.79 6.67 2.88 -1.26 -4.42 113.62 117.22 3fa2 n SER 616 Ca -0.15 -2.37 -0.30 0.00 -1.33 0.00 0.00 58.87 54.72 3fa2 n SER 616 Cb 0.53 -0.58 0.10 0.00 -0.75 0.00 0.00 64.21 63.52 3fa2 n SER 616 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3fa2 s THR 617 N -0.95 2.93 0.21 2.46 -4.23 -1.26 -4.90 115.64 109.90 3fa2 s THR 617 Ca 0.14 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.90 3fa2 s THR 617 Cb 0.12 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 71.01 3fa2 s THR 617 CO 0.03 -0.39 1.66 0.25 -0.54 0.00 0.00 174.62 175.63 3fa2 h LEU 618 N -1.19 0.86 0.07 4.79 5.85 -1.98 -1.79 115.31 121.93 3fa2 h LEU 618 Ca -0.48 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 3fa2 h LEU 618 Cb 1.28 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3fa2 h LEU 618 CO 0.59 0.99 -0.04 0.11 -0.34 0.00 0.00 178.44 179.75 3fa2 h LYS 619 N 0.78 -0.10 -0.60 1.25 1.57 -1.94 0.55 116.57 118.08 3fa2 h LYS 619 Ca 0.13 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3fa2 h LYS 619 Cb 0.62 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3fa2 h LYS 619 CO 0.04 0.06 0.32 0.00 -0.57 0.00 0.00 179.45 179.30 3fa2 h MET 621 N 0.81 0.21 -0.41 0.00 2.86 -1.19 -1.40 114.93 115.80 3fa2 h MET 621 Ca 0.21 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3fa2 h MET 621 Cb 0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3fa2 h MET 621 CO -0.03 0.40 0.27 -0.07 1.06 0.00 0.00 176.91 178.54 3fa2 h LEU 622 N -0.02 0.42 -0.39 1.22 3.38 0.30 -1.83 115.31 118.40 3fa2 h LEU 622 Ca 0.04 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3fa2 h LEU 622 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3fa2 h LEU 622 CO 0.00 0.30 -0.21 1.23 0.09 0.00 0.00 178.44 179.86 3fa2 h GLY 623 N 0.49 0.90 0.98 0.83 0.00 -0.50 -1.24 103.07 104.53 3fa2 h GLY 623 Ca 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3fa2 h GLY 623 CO -0.04 0.74 0.06 -2.22 0.00 0.00 0.00 176.54 175.09 3fa2 h ILE 624 N 0.63 1.05 0.00 2.60 2.04 -0.84 -0.24 117.51 122.74 3fa2 h ILE 624 Ca 0.08 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3fa2 h ILE 624 Cb 0.76 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3fa2 h ILE 624 CO 0.06 0.04 -0.15 -0.07 0.00 0.00 0.00 178.15 178.03 3fa2 h LEU 625 N 0.11 0.00 -0.11 1.44 3.38 -1.29 -1.44 115.31 117.40 3fa2 h LEU 625 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fa2 h LEU 625 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fa2 h LEU 625 CO -0.01 0.15 -0.12 -3.20 0.09 0.00 0.00 178.44 175.36 3fa2 n ASN 626 N -3.71 0.29 -1.58 -0.43 5.15 -0.48 -4.86 115.26 109.64 3fa2 n ASN 626 Ca -0.02 -0.23 -0.13 0.00 -0.60 0.00 0.00 54.58 53.61 3fa2 n ASN 626 Cb 0.27 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 1.36 -0.12 3.83 8.20 0.00 -0.54 -5.01 105.19 112.90 3fa2 n GLY 627 Ca 0.12 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.12 3.04 -0.29 0.00 0.52 -0.80 -4.74 118.94 113.54 3fa2 s TRP 629 Ca 0.58 0.64 0.02 0.00 0.02 0.00 0.00 56.10 57.36 3fa2 s TRP 629 Cb -0.13 -3.91 0.07 0.00 -1.15 0.00 0.00 33.47 28.35 3fa2 s TRP 629 CO 0.54 -3.35 -0.04 0.42 0.02 0.00 0.00 176.95 174.54 3fa2 s ILE 630 N 1.23 2.41 0.05 2.03 -1.09 -1.26 -0.81 121.20 123.76 3fa2 s ILE 630 Ca 0.70 -1.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.44 3fa2 s ILE 630 Cb -0.43 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 3fa2 s ILE 630 CO 0.31 -0.20 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.84 3fa2 s LEU 631 N 1.09 2.17 0.88 2.97 1.43 -0.45 -0.00 118.68 126.78 3fa2 s LEU 631 Ca -0.03 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 3fa2 s LEU 631 Cb -0.20 -1.06 0.09 0.00 0.03 0.00 0.00 46.19 45.05 3fa2 s LEU 631 CO -0.05 0.18 0.96 0.29 0.23 0.00 0.00 176.35 177.96 3fa2 n LYS 632 N 1.78 -0.20 0.27 1.70 4.01 -0.49 -1.24 118.16 123.99 3fa2 n LYS 632 Ca -0.17 0.01 0.16 0.00 -0.51 0.00 0.00 58.31 57.80 3fa2 n LYS 632 Cb 0.53 -2.24 0.63 0.00 -0.51 0.00 0.00 35.03 33.44 3fa2 n LYS 632 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 3fa2 h PHE 633 N -1.46 0.00 0.00 2.13 3.57 -1.49 -2.47 116.94 117.22 3fa2 h PHE 633 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3fa2 h PHE 633 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3fa2 h PHE 633 CO 0.45 0.03 0.07 1.05 -2.23 0.00 0.00 178.31 177.69 3fa2 h GLU 634 N 0.00 0.00 -0.29 1.11 4.11 -1.88 -1.73 114.58 115.90 3fa2 h GLU 634 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3fa2 h GLU 634 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3fa2 h GLU 634 CO 0.00 0.00 -0.11 2.35 0.07 0.00 0.00 179.01 181.33 3fa2 h TRP 635 N 0.00 0.67 -0.32 2.06 7.01 -1.81 -2.27 115.95 121.29 3fa2 h TRP 635 Ca 0.00 -0.16 -0.08 0.00 2.11 0.00 0.00 58.89 60.77 3fa2 h TRP 635 Cb 0.14 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3fa2 h TRP 635 CO 0.00 0.80 -0.09 0.28 -2.79 0.00 0.00 178.44 176.64 3fa2 h VAL 636 N 0.34 1.28 -0.16 2.65 2.07 -1.52 -1.48 116.25 119.44 3fa2 h VAL 636 Ca 0.07 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3fa2 h VAL 636 Cb 0.61 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3fa2 h VAL 636 CO 0.04 0.37 -0.34 0.11 0.02 0.00 0.00 177.57 177.77 3fa2 h LYS 637 N 0.41 -0.38 -0.74 1.57 1.57 -1.50 -0.68 116.57 116.80 3fa2 h LYS 637 Ca 0.08 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3fa2 h LYS 637 Cb 0.59 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 3fa2 h LYS 637 CO 0.03 -0.26 0.49 0.00 -0.57 0.00 0.00 179.45 179.15 3fa2 h ALA 638 N 0.40 1.51 -0.29 3.86 0.00 -1.31 0.17 119.26 123.59 3fa2 h ALA 638 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fa2 h ALA 638 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fa2 h ALA 638 CO -0.38 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.36 3fa2 h LEU 640 N 0.31 0.52 -1.60 0.00 4.07 -0.67 1.22 115.31 119.16 3fa2 h LEU 640 Ca 0.09 -0.36 0.21 0.00 0.08 0.00 0.00 57.88 57.90 3fa2 h LEU 640 Cb 0.33 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 3fa2 h LEU 640 CO 0.00 0.76 0.60 -0.09 -1.08 0.00 0.00 178.44 178.63 3fa2 h ARG 641 N 0.27 0.31 0.00 1.13 2.43 -0.67 -2.99 114.38 114.86 3fa2 h ARG 641 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3fa2 h ARG 641 Cb 0.53 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3fa2 h ARG 641 CO 0.03 0.21 -0.73 -2.13 -1.51 0.00 0.00 179.97 175.83 3fa2 n ARG 642 N -4.47 2.89 -3.17 0.20 0.63 -0.79 -5.01 116.66 106.94 3fa2 n ARG 642 Ca 0.19 -0.03 -0.23 0.00 -0.92 0.00 0.00 57.85 56.86 3fa2 n ARG 642 Cb 0.75 -1.00 0.03 0.00 0.45 0.00 0.00 32.46 32.68 3fa2 n ARG 642 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3fa2 n LYS 643 N -1.40 -4.63 -4.27 -0.14 5.02 0.42 -5.00 118.16 108.15 3fa2 n LYS 643 Ca 0.01 0.77 -0.15 0.00 -2.02 0.00 0.00 58.31 56.91 3fa2 n LYS 643 Cb 0.16 -5.60 -0.10 0.00 -0.02 0.00 0.00 35.03 29.47 3fa2 n LYS 643 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3fa2 s VAL 644 N -3.12 1.09 -0.17 -0.18 -7.23 -1.10 -4.98 120.40 104.71 3fa2 s VAL 644 Ca 0.36 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 3fa2 s VAL 644 Cb -0.17 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 3fa2 s VAL 644 CO 0.44 -0.60 1.38 0.00 -0.31 0.00 0.00 175.10 176.01 3fa2 s GLU 646 N 3.82 4.06 0.22 0.00 0.41 -1.26 -5.05 118.70 120.91 3fa2 s GLU 646 Ca 0.60 0.70 -0.31 0.00 -0.41 0.00 0.00 54.97 55.55 3fa2 s GLU 646 Cb -0.23 -2.61 -0.11 0.00 -1.78 0.00 0.00 34.13 29.40 3fa2 s GLU 646 CO 0.20 0.26 1.56 -1.14 -0.49 0.00 0.00 175.26 175.64 3fa2 s GLN 647 N -2.61 4.20 0.13 1.61 0.74 -1.26 -4.94 119.66 117.53 3fa2 s GLN 647 Ca 0.49 2.42 0.01 0.00 0.05 0.00 0.00 55.36 58.34 3fa2 s GLN 647 Cb -0.12 -3.10 -0.12 0.00 1.10 0.00 0.00 33.01 30.76 3fa2 s GLN 647 CO 0.19 -0.58 1.29 0.93 -0.55 0.00 0.00 175.29 176.57 3fa2 h GLU 648 N 5.90 0.19 -1.02 1.67 3.07 -2.01 -3.37 114.58 119.00 3fa2 h GLU 648 Ca -0.44 -0.25 0.26 0.00 -0.50 0.00 0.00 59.36 58.42 3fa2 h GLU 648 Cb 1.21 0.08 -0.12 0.00 -0.84 0.00 0.00 28.75 29.09 3fa2 h GLU 648 CO 0.86 1.04 0.62 0.93 -1.40 0.00 0.00 179.01 181.06 3fa2 h GLU 649 N 0.08 0.49 0.00 2.33 3.07 -1.96 0.23 114.58 118.82 3fa2 h GLU 649 Ca -0.06 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 3fa2 h GLU 649 Cb 1.68 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.48 3fa2 h GLU 649 CO 0.15 0.32 -0.13 -0.22 -1.40 0.00 0.00 179.01 177.74 3fa2 h LYS 650 N 0.50 0.00 -0.00 2.33 3.64 -2.00 -2.74 116.57 118.30 3fa2 h LYS 650 Ca 0.64 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 3fa2 h LYS 650 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3fa2 h LYS 650 CO -0.43 0.13 -0.78 0.66 -2.27 0.00 0.00 179.45 176.75 3fa2 n TYR 651 N -4.22 0.00 -1.79 1.91 4.01 0.72 -4.98 117.16 112.80 3fa2 n TYR 651 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3fa2 n TYR 651 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.65 4.06 -0.19 -0.72 2.12 -0.75 -1.40 118.70 119.16 3fa2 s GLU 652 Ca 0.09 2.57 -0.27 0.00 0.36 0.00 0.00 54.97 57.73 3fa2 s GLU 652 Cb 0.15 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 3fa2 s GLU 652 CO 0.71 -0.58 0.91 0.42 -0.54 0.00 0.00 175.26 176.19 3fa2 s ILE 653 N -1.13 4.80 0.82 -3.70 1.01 1.00 -4.87 121.20 119.13 3fa2 s ILE 653 Ca 0.54 1.79 -0.12 0.00 0.00 0.00 0.00 60.65 62.86 3fa2 s ILE 653 Cb -0.47 -4.21 0.08 0.00 0.01 0.00 0.00 42.46 37.88 3fa2 s ILE 653 CO 0.63 -0.05 1.12 -2.16 0.00 0.00 0.00 174.94 174.47 3fa2 s PRO 654 N 2.56 1.89 4.54 2.79 0.04 -1.26 -3.73 135.00 141.83 3fa2 s PRO 654 Ca 0.41 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3fa2 s PRO 654 Cb -0.16 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3fa2 s PRO 654 CO 0.10 -1.71 0.00 0.39 0.04 0.00 0.00 177.00 175.82 3fa2 n GLU 655 N -3.46 0.00 -0.19 4.56 -0.58 -1.26 -4.50 120.64 115.20 3fa2 n GLU 655 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3fa2 n GLU 655 Cb 0.58 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.54 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 0.66 0.99 0.62 0.00 -1.70 -0.25 103.07 103.39 3fa2 h GLY 656 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3fa2 h GLY 656 CO 0.00 -0.16 0.32 -2.55 0.00 0.00 0.00 176.54 174.15 3fa2 h PRO 657 N 0.16 0.75 0.65 4.80 0.11 -1.79 0.46 132.00 137.15 3fa2 h PRO 657 Ca 0.31 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 3fa2 h PRO 657 Cb 0.48 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.44 3fa2 h PRO 657 CO -0.46 0.55 -0.31 -0.09 -0.21 0.00 0.00 178.00 177.48 3fa2 h ARG 658 N 0.74 -0.85 -0.80 1.05 2.43 -1.54 -0.47 114.38 114.94 3fa2 h ARG 658 Ca 0.20 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.58 3fa2 h ARG 658 Cb 0.00 0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 29.59 3fa2 h ARG 658 CO -0.04 -0.54 -0.20 0.00 -1.51 0.00 0.00 179.97 177.68 3fa2 h ARG 659 N -0.95 -0.00 -0.51 0.20 3.08 -0.91 -0.26 114.38 115.03 3fa2 h ARG 659 Ca -0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3fa2 h ARG 659 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3fa2 h ARG 659 CO 0.15 -0.00 0.11 1.03 -1.07 0.00 0.00 179.97 180.19 3fa2 h SER 660 N -0.00 0.78 -0.48 7.04 0.87 -0.01 -1.96 113.55 119.79 3fa2 h SER 660 Ca 0.38 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3fa2 h SER 660 Cb 0.58 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3fa2 h SER 660 CO -0.82 0.81 0.07 -0.09 -0.53 0.00 0.00 176.83 176.27 3fa2 h ARG 661 N 0.70 0.86 -0.02 2.24 2.43 0.46 -0.09 114.38 120.96 3fa2 h ARG 661 Ca 0.16 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3fa2 h ARG 661 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3fa2 h ARG 661 CO 0.00 0.82 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.76 3fa2 h LEU 662 N 0.82 0.05 -0.57 3.80 3.38 -1.10 0.14 115.31 121.82 3fa2 h LEU 662 Ca 0.17 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3fa2 h LEU 662 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3fa2 h LEU 662 CO 0.01 0.49 -0.21 -1.13 0.09 0.00 0.00 178.44 177.69 3fa2 h ASN 663 N 0.04 0.95 0.26 -0.43 -1.24 -0.77 -0.12 115.58 114.26 3fa2 h ASN 663 Ca -0.00 -0.35 -0.01 0.00 0.71 0.00 0.00 56.30 56.65 3fa2 h ASN 663 Cb 0.81 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.60 3fa2 h ASN 663 CO 0.06 1.12 -0.13 -0.09 -1.29 0.00 0.00 177.43 177.10 3fa2 h ARG 664 N 0.80 -0.34 -0.82 6.67 2.43 -0.89 0.26 114.38 122.49 3fa2 h ARG 664 Ca 0.11 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.44 3fa2 h ARG 664 Cb 0.77 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 3fa2 h ARG 664 CO 0.06 -0.01 0.54 0.93 -1.51 0.00 0.00 179.97 179.98 3fa2 h GLU 665 N -0.72 0.55 -0.17 0.20 5.08 -0.71 0.22 114.58 119.02 3fa2 h GLU 665 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3fa2 h GLU 665 Cb 0.49 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3fa2 h GLU 665 CO 0.06 0.37 0.00 1.04 -1.00 0.00 0.00 179.01 179.48 3fa2 n GLN 666 N -4.52 1.53 -2.17 2.33 6.02 -0.06 -4.92 117.38 115.59 3fa2 n GLN 666 Ca 0.16 -0.81 -0.20 0.00 -0.01 0.00 0.00 57.00 56.14 3fa2 n GLN 666 Cb 0.48 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 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 0.08 -1.77 -4.84 1.08 4.77 0.76 -4.96 117.00 112.11 3fa2 n LEU 667 Ca 0.12 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 3fa2 n LEU 667 Cb 0.23 -2.87 -0.02 0.00 -2.33 0.00 0.00 43.42 38.43 3fa2 n LEU 667 CO 0.09 -0.46 0.69 -0.76 -1.33 0.00 0.00 177.39 175.62 3fa2 s LEU 668 N -5.63 3.55 1.03 2.23 1.43 0.86 -5.02 118.68 117.13 3fa2 s LEU 668 Ca 0.00 1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 3fa2 s LEU 668 Cb 0.00 -4.50 0.11 0.00 0.03 0.00 0.00 46.19 41.82 3fa2 s LEU 668 CO 0.00 -0.68 0.49 -2.65 0.23 0.00 0.00 176.35 173.74 3fa2 n PRO 669 N -1.80 -1.00 -1.35 1.29 -0.02 -1.26 -4.70 135.00 126.16 3fa2 n PRO 669 Ca 0.07 -0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 60.99 3fa2 n PRO 669 Cb 0.54 -1.94 0.09 0.00 -0.02 0.00 0.00 33.50 32.17 3fa2 n PRO 669 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3fa2 s LYS 670 N -3.84 2.21 0.15 -0.52 -0.14 -1.26 -4.96 119.74 111.37 3fa2 s LYS 670 Ca 0.60 1.00 -0.21 0.00 -1.36 0.00 0.00 55.97 55.99 3fa2 s LYS 670 Cb -0.19 -1.90 0.03 0.00 -1.68 0.00 0.00 37.83 34.08 3fa2 s LYS 670 CO 0.65 -1.63 1.65 1.25 -0.76 0.00 0.00 175.35 176.51 3fa2 h LEU 671 N -1.11 -0.61 -3.98 3.17 5.85 -1.90 -2.55 115.31 114.19 3fa2 h LEU 671 Ca -0.45 0.12 -0.50 0.00 0.84 0.00 0.00 57.88 57.89 3fa2 h LEU 671 Cb 1.24 0.30 -0.30 0.00 0.37 0.00 0.00 40.66 42.28 3fa2 h LEU 671 CO 0.54 -0.23 0.63 0.49 -0.34 0.00 0.00 178.44 179.53 3fa2 n PHE 672 N -5.34 3.02 -2.01 1.25 3.72 0.56 -4.53 117.46 114.12 3fa2 n PHE 672 Ca -0.01 -1.82 -0.42 0.00 -0.05 0.00 0.00 57.45 55.16 3fa2 n PHE 672 Cb 0.26 -0.93 -0.02 0.00 -0.94 0.00 0.00 39.48 37.84 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 -1.31 6.66 0.00 4.37 2.15 -0.96 -1.96 116.67 125.62 3fa2 s ASP 673 Ca 0.57 2.63 0.00 0.00 0.43 0.00 0.00 52.55 56.18 3fa2 s ASP 673 Cb 0.48 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 3fa2 s ASP 673 CO 0.11 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 3fa2 n GLY 674 N 2.55 0.96 3.79 2.66 0.00 -1.26 -3.87 105.19 110.01 3fa2 n GLY 674 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.86 0.82 -0.05 0.00 1.51 -0.47 -1.46 117.35 115.83 3fa2 s TYR 676 Ca 0.31 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.11 3fa2 s TYR 676 Cb -0.09 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 3fa2 s TYR 676 CO 0.23 -0.01 0.00 -0.06 -1.11 0.00 0.00 175.55 174.60 3fa2 s PHE 677 N -0.57 0.51 -0.23 2.71 0.40 0.44 -0.26 117.98 120.98 3fa2 s PHE 677 Ca 0.00 -0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.17 3fa2 s PHE 677 Cb -0.05 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 3fa2 s PHE 677 CO 0.00 -0.24 0.11 -0.47 0.70 0.00 0.00 175.22 175.32 3fa2 s TYR 678 N 1.61 3.20 -0.55 0.36 5.04 0.23 -1.00 117.35 126.24 3fa2 s TYR 678 Ca -0.01 -0.05 -0.19 0.00 -2.44 0.00 0.00 57.07 54.38 3fa2 s TYR 678 Cb -0.13 -2.22 0.08 0.00 0.35 0.00 0.00 41.96 40.04 3fa2 s TYR 678 CO -0.03 -0.09 0.67 -0.51 -1.34 0.00 0.00 175.55 174.25 3fa2 s LEU 679 N 1.16 5.14 0.03 6.97 1.43 -1.26 0.52 118.68 132.67 3fa2 s LEU 679 Ca 0.06 -1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 51.79 3fa2 s LEU 679 Cb -0.14 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 3fa2 s LEU 679 CO 0.04 -1.01 0.65 0.86 0.23 0.00 0.00 176.35 177.13 3fa2 s TRP 680 N 2.69 3.72 0.00 0.29 -0.00 0.76 -4.96 118.94 121.44 3fa2 s TRP 680 Ca 0.14 1.31 0.00 0.00 -0.00 0.00 0.00 56.10 57.54 3fa2 s TRP 680 Cb -0.21 -2.66 0.00 0.00 -0.00 0.00 0.00 33.47 30.59 3fa2 s TRP 680 CO 0.09 0.36 0.00 0.41 -0.00 0.00 0.00 176.95 177.82 3fa2 n GLY 681 N 2.31 -0.65 3.90 5.86 0.00 -1.26 -4.36 105.19 111.00 3fa2 n GLY 681 Ca -0.06 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 3fa2 n GLY 681 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fa2 s THR 682 N 0.00 5.41 -0.09 2.61 2.01 -1.26 -5.01 115.64 119.30 3fa2 s THR 682 Ca 0.00 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 3fa2 s THR 682 Cb 0.00 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 69.02 3fa2 s THR 682 CO 0.00 0.34 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.88 3fa2 s PHE 683 N -1.30 1.04 -0.16 4.92 0.40 -1.26 -4.30 117.98 117.32 3fa2 s PHE 683 Ca 0.26 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 3fa2 s PHE 683 Cb -0.13 -1.00 -0.07 0.00 0.51 0.00 0.00 43.02 42.34 3fa2 s PHE 683 CO 0.18 -0.42 -0.25 1.17 0.70 0.00 0.00 175.22 176.60 3fa2 n LYS 684 N 5.05 0.40 0.29 0.44 3.00 -1.26 -4.40 118.16 121.68 3fa2 n LYS 684 Ca -0.09 0.17 -0.17 0.00 -0.00 0.00 0.00 58.31 58.22 3fa2 n LYS 684 Cb 0.50 -1.18 -0.09 0.00 0.00 0.00 0.00 35.03 34.26 3fa2 n LYS 684 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3fa2 h HIS 685 N -0.71 -1.08 -3.56 5.64 3.86 -2.03 -3.33 115.15 113.95 3fa2 h HIS 685 Ca -0.30 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.24 3fa2 h HIS 685 Cb 1.14 0.41 -0.34 0.00 1.06 0.00 0.00 27.41 29.67 3fa2 h HIS 685 CO -0.16 -0.57 -0.78 -1.01 0.86 0.00 0.00 177.93 176.27 3fa2 s HIS 686 N -5.98 3.09 1.22 2.45 3.76 -1.26 -5.13 115.29 113.44 3fa2 s HIS 686 Ca -0.17 -1.82 -0.14 0.00 -0.15 0.00 0.00 55.06 52.77 3fa2 s HIS 686 Cb 0.05 -2.00 0.30 0.00 1.11 0.00 0.00 32.58 32.04 3fa2 s HIS 686 CO 0.62 -0.79 1.01 -2.14 -0.85 0.00 0.00 174.74 172.59 3fa2 s PRO 687 N 1.25 -1.32 0.04 8.40 0.02 -1.25 -4.76 135.00 137.37 3fa2 s PRO 687 Ca -0.02 0.71 -0.21 0.00 0.02 0.00 0.00 61.00 61.50 3fa2 s PRO 687 Cb -0.17 -1.52 -0.14 0.00 0.02 0.00 0.00 34.50 32.69 3fa2 s PRO 687 CO -0.06 -3.96 1.37 -0.22 -0.33 0.00 0.00 177.00 173.80 3fa2 h LYS 688 N -2.79 0.33 -0.42 5.54 3.64 -1.95 -2.43 116.57 118.49 3fa2 h LYS 688 Ca -0.61 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 58.64 3fa2 h LYS 688 Cb 1.34 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 3fa2 h LYS 688 CO 0.48 0.69 0.28 -0.44 -2.27 0.00 0.00 179.45 178.19 3fa2 h ASP 689 N -0.02 0.39 0.09 4.20 5.19 -1.97 -0.20 116.42 124.10 3fa2 h ASP 689 Ca 0.03 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3fa2 h ASP 689 Cb 0.61 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3fa2 h ASP 689 CO 0.03 0.27 -0.04 0.78 -3.12 0.00 0.00 179.24 177.16 3fa2 h ASN 690 N 0.46 -0.10 -0.37 6.45 4.21 -1.87 -1.75 115.58 122.60 3fa2 h ASN 690 Ca 0.17 -0.10 0.06 0.00 1.21 0.00 0.00 56.30 57.65 3fa2 h ASN 690 Cb 0.11 0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 37.28 3fa2 h ASN 690 CO -0.04 0.03 0.03 -0.07 -1.29 0.00 0.00 177.43 176.09 3fa2 h LEU 691 N -0.23 -0.09 -0.17 1.61 3.38 -0.76 -0.97 115.31 118.07 3fa2 h LEU 691 Ca -0.01 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3fa2 h LEU 691 Cb 0.19 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3fa2 h LEU 691 CO 0.02 -0.01 -0.16 0.40 0.09 0.00 0.00 178.44 178.78 3fa2 h ILE 692 N 0.14 0.55 -0.59 1.22 2.04 -1.02 0.19 117.51 120.04 3fa2 h ILE 692 Ca 0.18 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.16 3fa2 h ILE 692 Cb 0.24 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 36.77 3fa2 h ILE 692 CO -0.28 0.00 -0.00 0.11 0.00 0.00 0.00 178.15 177.98 3fa2 h LYS 693 N -0.19 0.11 -0.64 2.37 1.57 -0.80 -1.39 116.57 117.60 3fa2 h LYS 693 Ca 0.11 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3fa2 h LYS 693 Cb 0.35 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3fa2 h LYS 693 CO -0.28 0.07 0.11 -0.07 -0.57 0.00 0.00 179.45 178.71 3fa2 h LEU 694 N 0.12 1.01 -0.51 2.94 3.38 -0.42 0.21 115.31 122.04 3fa2 h LEU 694 Ca 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3fa2 h LEU 694 Cb 0.49 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3fa2 h LEU 694 CO -0.51 1.01 0.22 0.58 0.09 0.00 0.00 178.44 179.84 3fa2 h VAL 695 N 0.97 1.21 -0.41 1.22 2.07 -0.54 -0.24 116.25 120.53 3fa2 h VAL 695 Ca 0.20 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3fa2 h VAL 695 Cb 0.42 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3fa2 h VAL 695 CO 0.01 0.24 -0.02 0.74 0.02 0.00 0.00 177.57 178.56 3fa2 h THR 696 N 0.68 1.26 -0.13 2.57 2.02 -1.09 0.53 112.91 118.74 3fa2 h THR 696 Ca 0.17 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 3fa2 h THR 696 Cb 0.16 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3fa2 h THR 696 CO -0.02 0.35 -0.21 0.00 0.37 0.00 0.00 175.52 176.02 3fa2 h ALA 697 N 0.88 1.41 -0.06 6.16 0.00 -0.46 -2.75 119.26 124.44 3fa2 h ALA 697 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fa2 h ALA 697 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fa2 h ALA 697 CO 0.02 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3fa2 n GLY 698 N -0.69 -0.66 2.22 0.00 0.00 -0.11 -4.78 105.19 101.17 3fa2 n GLY 698 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 0.74 0.76 3.99 -0.02 0.00 -1.04 -0.33 105.19 109.30 3fa2 n GLY 699 Ca 0.08 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.71 1.83 0.06 -0.02 0.00 0.16 -3.77 107.32 102.87 3fa2 s GLY 700 Ca 0.00 -1.55 0.08 0.00 0.00 0.00 0.00 44.72 43.25 3fa2 s GLY 700 CO 0.00 -1.22 -0.22 1.20 0.00 0.00 0.00 173.10 172.86 3fa2 s GLN 701 N -4.73 1.39 -0.22 2.90 -0.21 -0.53 -4.24 119.66 114.01 3fa2 s GLN 701 Ca 0.59 -1.03 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 3fa2 s GLN 701 Cb -0.09 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.32 3fa2 s GLN 701 CO 0.38 0.39 0.42 0.42 -2.12 0.00 0.00 175.29 174.78 3fa2 s ILE 702 N -0.89 5.17 -0.12 1.08 -1.09 -1.26 -0.42 121.20 123.67 3fa2 s ILE 702 Ca 0.08 0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 58.96 3fa2 s ILE 702 Cb -0.09 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 3fa2 s ILE 702 CO 0.03 0.21 0.87 -0.76 -1.23 0.00 0.00 174.94 174.06 3fa2 s LEU 703 N 1.56 4.23 0.12 2.97 1.43 -0.17 -4.88 118.68 123.94 3fa2 s LEU 703 Ca 0.19 1.31 0.27 0.00 -1.03 0.00 0.00 54.13 54.87 3fa2 s LEU 703 Cb -0.15 -3.33 0.83 0.00 0.03 0.00 0.00 46.19 43.57 3fa2 s LEU 703 CO 0.08 -0.36 1.71 -1.54 0.23 0.00 0.00 176.35 176.48 3fa2 n SER 704 N 4.86 0.54 -4.23 2.29 3.41 -1.26 -4.52 113.62 114.71 3fa2 n SER 704 Ca 0.05 0.41 -0.25 0.00 -0.26 0.00 0.00 58.87 58.82 3fa2 n SER 704 Cb 0.49 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 3fa2 n SER 704 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fa2 s ARG 705 N -3.07 1.35 -0.01 4.33 1.81 -1.26 -5.10 118.95 116.99 3fa2 s ARG 705 Ca 0.11 -0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 52.94 3fa2 s ARG 705 Cb 0.15 -1.43 -0.07 0.00 -0.45 0.00 0.00 34.95 33.15 3fa2 s ARG 705 CO 0.61 0.37 1.74 0.21 -0.68 0.00 0.00 175.30 177.54 3fa2 s LYS 706 N -1.08 4.17 0.19 3.54 2.20 -1.26 -4.91 119.74 122.60 3fa2 s LYS 706 Ca 0.07 2.33 -0.30 0.00 -0.36 0.00 0.00 55.97 57.70 3fa2 s LYS 706 Cb -0.08 -3.97 -0.09 0.00 -1.51 0.00 0.00 37.83 32.17 3fa2 s LYS 706 CO 0.01 -0.86 1.32 -1.25 -0.36 0.00 0.00 175.35 174.22 3fa2 s PRO 707 N 3.94 4.37 -0.04 4.03 0.04 -1.26 -4.97 135.00 141.11 3fa2 s PRO 707 Ca 0.77 2.07 -0.03 0.00 0.04 0.00 0.00 61.00 63.86 3fa2 s PRO 707 Cb -0.37 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 3fa2 s PRO 707 CO 0.33 -0.28 -0.06 1.63 0.04 0.00 0.00 177.00 178.66 3fa2 n LYS 708 N 2.72 0.12 0.00 4.56 5.02 -1.26 -5.08 118.16 124.24 3fa2 n LYS 708 Ca 0.07 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3fa2 n LYS 708 Cb 0.43 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 3fa2 n LYS 708 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fa2 n SER 711 N -2.92 0.00 0.00 4.39 2.88 -1.26 -4.94 113.62 111.78 3fa2 n SER 711 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3fa2 n SER 711 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 3fa2 n SER 711 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3fa2 n ASP 712 N 0.00 0.00 0.21 -3.46 -0.08 -1.26 -4.51 116.55 107.46 3fa2 n ASP 712 Ca 0.00 0.06 0.08 0.00 -1.51 0.00 0.00 54.79 53.42 3fa2 n ASP 712 Cb 0.00 -0.43 0.45 0.00 2.34 0.00 0.00 41.12 43.47 3fa2 n ASP 712 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3fa2 h VAL 713 N 0.00 0.70 -0.05 5.18 2.07 -1.99 -3.37 116.25 118.79 3fa2 h VAL 713 Ca 0.00 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3fa2 h VAL 713 Cb 0.00 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3fa2 h VAL 713 CO 0.00 0.26 0.02 0.74 0.02 0.00 0.00 177.57 178.62 3fa2 h THR 714 N 0.00 1.11 -0.42 2.57 2.02 -1.92 -2.03 112.91 114.23 3fa2 h THR 714 Ca -0.00 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 3fa2 h THR 714 Cb 0.74 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3fa2 h THR 714 CO 0.03 0.09 -0.30 1.56 0.37 0.00 0.00 175.52 177.27 3fa2 h GLN 715 N -0.05 0.94 0.00 6.66 1.08 -1.79 -3.21 115.11 118.74 3fa2 h GLN 715 Ca 0.02 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3fa2 h GLN 715 Cb 0.12 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3fa2 h GLN 715 CO -0.00 1.11 0.00 0.25 -0.95 0.00 0.00 178.83 179.23 3fa2 n THR 716 N -4.08 0.62 -2.38 -0.54 -2.24 -1.01 -4.62 114.28 100.03 3fa2 n THR 716 Ca -0.01 0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 3fa2 n THR 716 Cb 0.50 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 3fa2 n THR 716 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3fa2 s ILE 717 N -2.74 4.21 -0.32 2.28 1.01 -0.80 -4.91 121.20 119.93 3fa2 s ILE 717 Ca 0.13 1.46 0.15 0.00 0.00 0.00 0.00 60.65 62.39 3fa2 s ILE 717 Cb 0.11 -3.95 0.47 0.00 0.01 0.00 0.00 42.46 39.10 3fa2 s ILE 717 CO 0.28 -0.14 1.07 -3.20 0.00 0.00 0.00 174.94 172.96 3fa2 n ASN 718 N 6.69 2.80 -4.92 3.58 5.15 -1.26 -5.01 115.26 122.29 3fa2 n ASN 718 Ca 0.14 -2.91 -0.26 0.00 -0.60 0.00 0.00 54.58 50.95 3fa2 n ASN 718 Cb 0.45 -0.47 0.02 0.00 -0.53 0.00 0.00 39.78 39.25 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 -4.09 4.08 0.15 -0.44 -4.23 -1.26 -5.11 115.64 104.73 3fa2 s THR 719 Ca 0.36 -0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.94 3fa2 s THR 719 Cb 0.40 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 3fa2 s THR 719 CO -0.03 -0.55 -0.21 0.68 -0.54 0.00 0.00 174.62 173.97 3fa2 s VAL 720 N -2.84 2.63 -0.33 2.29 -7.23 -1.26 -4.62 120.40 109.03 3fa2 s VAL 720 Ca 0.51 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.85 3fa2 s VAL 720 Cb -0.10 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 3fa2 s VAL 720 CO 0.44 0.02 0.21 0.00 -0.31 0.00 0.00 175.10 175.46 3fa2 s ALA 721 N -1.31 3.42 0.26 1.32 0.00 -0.02 -4.31 121.76 121.11 3fa2 s ALA 721 Ca 0.18 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 3fa2 s ALA 721 Cb -0.10 -2.56 0.54 0.00 0.00 0.00 0.00 23.12 21.00 3fa2 s ALA 721 CO 0.10 -0.95 1.74 -0.92 0.00 0.00 0.00 175.76 175.72 3fa2 h TYR 722 N 8.44 0.66 -0.06 0.00 3.20 -1.90 -2.20 116.97 125.10 3fa2 h TYR 722 Ca -0.31 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3fa2 h TYR 722 Cb 1.15 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3fa2 h TYR 722 CO 0.65 0.10 0.00 0.72 -1.64 0.00 0.00 178.16 178.00 3fa2 n HIS 723 N -4.94 0.07 -2.40 -3.82 8.25 -1.26 -4.83 115.22 106.29 3fa2 n HIS 723 Ca 0.17 -0.04 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 3fa2 n HIS 723 Cb 0.46 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.93 3.35 0.00 -1.41 0.00 -0.83 -4.12 121.76 116.83 3fa2 s ALA 724 Ca 0.36 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3fa2 s ALA 724 Cb 0.19 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3fa2 s ALA 724 CO 0.30 -0.29 0.29 0.54 0.00 0.00 0.00 175.76 176.60 3fa2 n ARG 725 N 0.84 0.00 0.00 0.00 1.74 -1.26 -4.83 116.66 113.15 3fa2 n ARG 725 Ca 0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3fa2 n ARG 725 Cb 0.45 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 3fa2 n ARG 725 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3fa2 n SER 728 N -0.69 0.00 0.26 0.55 2.88 -1.26 -5.02 113.62 110.34 3fa2 n SER 728 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3fa2 n SER 728 Cb 0.00 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.17 3fa2 n SER 728 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3fa2 h ASP 729 N 0.00 0.00 0.16 -3.46 3.32 -2.01 -2.45 116.42 111.98 3fa2 h ASP 729 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fa2 h ASP 729 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fa2 h ASP 729 CO 0.00 0.13 0.00 1.56 -1.72 0.00 0.00 179.24 179.21 3fa2 h GLN 730 N 0.00 0.00 -0.48 3.56 4.20 -1.99 0.37 115.11 120.77 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 0.36 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 3fa2 h GLN 730 CO 0.02 0.00 0.21 -0.09 -0.67 0.00 0.00 178.83 178.30 3fa2 h ARG 731 N 0.00 0.41 0.00 1.46 9.65 -1.72 -3.37 114.38 120.80 3fa2 h ARG 731 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3fa2 h ARG 731 Cb 0.08 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3fa2 h ARG 731 CO 0.00 0.27 0.00 1.97 2.80 0.00 0.00 179.97 185.01 3fa2 n PHE 732 N -4.94 0.00 -3.42 2.20 -1.74 -0.64 -0.84 117.46 108.07 3fa2 n PHE 732 Ca 0.04 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.49 3fa2 n PHE 732 Cb 0.16 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.11 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 4.34 0.33 -3.80 0.00 -2.24 -1.22 -4.40 114.28 107.30 3fa2 n THR 734 Ca 0.03 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 3fa2 n THR 734 Cb 0.43 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.01 3.59 -0.06 -0.78 -0.21 -0.97 -1.37 119.66 118.84 3fa2 s GLN 735 Ca 0.18 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.54 3fa2 s GLN 735 Cb 0.11 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.93 3fa2 s GLN 735 CO 0.16 0.72 -0.09 0.71 -2.12 0.00 0.00 175.29 174.68 3fa2 s TYR 736 N -0.92 1.17 -0.39 0.91 1.51 0.64 -0.19 117.35 120.07 3fa2 s TYR 736 Ca 0.16 -0.42 -0.15 0.00 -1.01 0.00 0.00 57.07 55.65 3fa2 s TYR 736 Cb -0.13 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 3fa2 s TYR 736 CO 0.05 -0.27 0.30 0.42 -1.11 0.00 0.00 175.55 174.94 3fa2 s ILE 737 N 0.89 5.25 -0.10 2.71 1.01 0.59 0.74 121.20 132.29 3fa2 s ILE 737 Ca -0.11 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3fa2 s ILE 737 Cb -0.15 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3fa2 s ILE 737 CO 0.01 -0.25 0.28 -0.63 0.00 0.00 0.00 174.94 174.35 3fa2 s ILE 738 N 1.72 5.28 0.07 2.92 -1.09 0.18 -1.38 121.20 128.90 3fa2 s ILE 738 Ca 0.06 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 3fa2 s ILE 738 Cb -0.18 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3fa2 s ILE 738 CO 0.10 0.52 -0.05 -0.72 -1.23 0.00 0.00 174.94 173.56 3fa2 s TYR 739 N -0.45 0.67 -0.04 3.97 1.13 -0.85 -0.17 117.35 121.61 3fa2 s TYR 739 Ca 0.18 -0.90 -0.00 0.00 -1.41 0.00 0.00 57.07 54.93 3fa2 s TYR 739 Cb -0.14 -0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 40.28 3fa2 s TYR 739 CO 0.07 -0.24 -0.04 0.39 -2.51 0.00 0.00 175.55 173.22 3fa2 n GLU 740 N 0.30 0.08 -1.05 -3.49 1.02 -1.26 -0.30 120.64 115.95 3fa2 n GLU 740 Ca -0.15 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.71 3fa2 n GLU 740 Cb 0.60 -0.92 0.12 0.00 -0.02 0.00 0.00 31.44 31.22 3fa2 n GLU 740 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fa2 s ASP 741 N -4.66 3.87 -0.37 1.62 1.11 -1.26 -4.87 116.67 112.11 3fa2 s ASP 741 Ca -0.05 1.95 -0.33 0.00 0.18 0.00 0.00 52.55 54.30 3fa2 s ASP 741 Cb 0.01 -2.53 -0.14 0.00 1.07 0.00 0.00 42.92 41.33 3fa2 s ASP 741 CO 0.07 -2.46 1.59 -0.11 1.18 0.00 0.00 175.17 175.45 3fa2 n LEU 742 N -3.80 0.56 -3.73 1.23 7.94 -1.26 -4.90 117.00 113.04 3fa2 n LEU 742 Ca 0.10 0.51 -0.29 0.00 -1.11 0.00 0.00 56.01 55.22 3fa2 n LEU 742 Cb 0.53 -0.67 -0.13 0.00 0.53 0.00 0.00 43.42 43.68 3fa2 n LEU 742 CO 0.52 -0.58 -0.21 0.00 -1.11 0.00 0.00 177.39 176.01 3fa2 s ASN 744 N -0.03 7.23 0.00 0.00 0.01 -1.26 -5.12 114.94 115.76 3fa2 s ASN 744 Ca 0.20 2.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.44 3fa2 s ASN 744 Cb -0.18 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.88 3fa2 s ASN 744 CO -0.05 -0.27 0.00 0.00 -1.51 0.00 0.00 177.10 175.28 3fa2 n TYR 745 N 2.58 0.00 -1.27 2.20 4.11 -1.26 -5.17 117.16 118.35 3fa2 n TYR 745 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.92 3fa2 n TYR 745 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.79 3fa2 n TYR 745 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3fa2 n ARG 749 N 0.00 -0.12 0.09 -3.48 1.74 -1.26 -5.22 116.66 108.41 3fa2 n ARG 749 Ca 0.00 0.45 -0.01 0.00 -0.77 0.00 0.00 57.85 57.52 3fa2 n ARG 749 Cb 0.00 -4.03 0.25 0.00 -1.02 0.00 0.00 32.46 27.66 3fa2 n ARG 749 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fa2 h VAL 750 N 0.00 1.28 -4.14 1.55 2.07 -1.95 -3.41 116.25 111.64 3fa2 h VAL 750 Ca -0.04 -1.36 -0.69 0.00 0.82 0.00 0.00 66.70 65.43 3fa2 h VAL 750 Cb 0.32 1.56 -0.25 0.00 -1.52 0.00 0.00 31.29 31.40 3fa2 h VAL 750 CO 0.05 0.41 -0.79 -0.60 0.02 0.00 0.00 177.57 176.66 3fa2 s ARG 751 N -4.29 2.42 -0.13 1.57 3.52 -1.26 -0.52 118.95 120.27 3fa2 s ARG 751 Ca -0.05 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 3fa2 s ARG 751 Cb 0.14 -2.31 0.04 0.00 -1.56 0.00 0.00 34.95 31.25 3fa2 s ARG 751 CO 0.77 0.61 -0.03 -1.14 -0.81 0.00 0.00 175.30 174.70 3fa2 s GLN 752 N -0.71 1.09 7.69 5.12 2.00 -0.31 -5.01 119.66 129.53 3fa2 s GLN 752 Ca 0.11 -0.24 0.00 0.00 -2.00 0.00 0.00 55.36 53.23 3fa2 s GLN 752 Cb -0.10 -1.59 0.00 0.00 0.80 0.00 0.00 33.01 32.12 3fa2 s GLN 752 CO 0.00 -0.38 0.00 0.41 -0.50 0.00 0.00 175.29 174.82 3fa2 n GLY 753 N 5.00 3.17 0.84 2.59 0.00 -1.26 -1.99 105.19 113.54 3fa2 n GLY 753 Ca -0.10 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 13.62 2.09 -4.39 1.61 5.02 -1.26 -4.92 118.16 129.93 3fa2 n LYS 754 Ca 0.00 -1.66 -0.34 0.00 -2.02 0.00 0.00 58.31 54.30 3fa2 n LYS 754 Cb 0.00 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.57 3.38 0.11 -0.18 1.01 -0.84 -2.28 120.40 120.02 3fa2 s VAL 755 Ca 0.34 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3fa2 s VAL 755 Cb 0.19 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3fa2 s VAL 755 CO 0.27 0.48 0.25 0.26 0.00 0.00 0.00 175.10 176.36 3fa2 s TRP 756 N 0.72 3.50 -0.20 5.22 0.52 0.73 -1.16 118.94 128.26 3fa2 s TRP 756 Ca -0.04 0.18 -0.07 0.00 0.02 0.00 0.00 56.10 56.20 3fa2 s TRP 756 Cb -0.15 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 3fa2 s TRP 756 CO 0.02 0.55 0.05 0.15 0.02 0.00 0.00 176.95 177.74 3fa2 s LYS 757 N -2.89 3.85 -0.04 4.98 1.02 0.33 -0.30 119.74 126.68 3fa2 s LYS 757 Ca 0.35 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 3fa2 s LYS 757 Cb -0.12 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 3fa2 s LYS 757 CO 0.28 0.15 0.10 0.00 -0.92 0.00 0.00 175.35 174.96 3fa2 s ALA 758 N 0.70 -0.21 0.60 5.17 0.00 -0.48 -4.92 121.76 122.62 3fa2 s ALA 758 Ca 0.03 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 3fa2 s ALA 758 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3fa2 s ALA 758 CO 0.02 -0.08 1.04 -1.25 0.00 0.00 0.00 175.76 175.49 3fa2 s PRO 759 N 0.42 3.39 0.39 0.00 0.04 -1.26 -2.00 135.00 135.98 3fa2 s PRO 759 Ca -0.03 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.18 3fa2 s PRO 759 Cb -0.04 -2.05 0.83 0.00 0.04 0.00 0.00 34.50 33.28 3fa2 s PRO 759 CO -0.02 -0.74 2.01 0.66 0.04 0.00 0.00 177.00 178.94 3fa2 h SER 760 N 0.32 0.54 -0.93 6.66 4.64 -1.02 -0.86 113.55 122.90 3fa2 h SER 760 Ca -0.46 -0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.03 3fa2 h SER 760 Cb 1.21 -0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.08 3fa2 h SER 760 CO 0.58 0.37 0.51 0.77 -0.87 0.00 0.00 176.83 178.19 3fa2 h SER 761 N 0.62 0.62 -0.26 4.97 4.64 -1.92 0.35 113.55 122.57 3fa2 h SER 761 Ca 0.24 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3fa2 h SER 761 Cb 0.16 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3fa2 h SER 761 CO -0.07 0.22 0.15 -0.25 -0.87 0.00 0.00 176.83 176.02 3fa2 h TRP 762 N 0.66 0.35 -0.28 4.77 7.01 -1.53 -0.39 115.95 126.54 3fa2 h TRP 762 Ca 0.53 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.52 3fa2 h TRP 762 Cb 0.82 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 3fa2 h TRP 762 CO -0.06 0.27 0.16 0.35 -2.79 0.00 0.00 178.44 176.38 3fa2 h PHE 763 N 0.32 0.38 -0.24 2.65 3.57 -0.93 -0.22 116.94 122.47 3fa2 h PHE 763 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3fa2 h PHE 763 Cb 0.03 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3fa2 h PHE 763 CO -0.04 0.30 0.16 0.82 -2.23 0.00 0.00 178.31 177.32 3fa2 h ILE 764 N 0.35 1.06 -0.60 1.41 1.08 -0.37 -2.36 117.51 118.08 3fa2 h ILE 764 Ca 0.10 -0.12 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 3fa2 h ILE 764 Cb 0.04 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 3fa2 h ILE 764 CO -0.02 0.06 0.40 0.44 -0.69 0.00 0.00 178.15 178.34 3fa2 h ASP 765 N 0.32 0.52 0.07 1.72 3.32 -0.72 -0.57 116.42 121.08 3fa2 h ASP 765 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fa2 h ASP 765 Cb -0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3fa2 h ASP 765 CO -0.02 0.34 -0.04 0.00 -1.72 0.00 0.00 179.24 177.80 3fa2 h VAL 767 N -0.11 1.21 -0.02 0.00 2.07 -0.84 0.11 116.25 118.67 3fa2 h VAL 767 Ca -0.01 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 3fa2 h VAL 767 Cb 0.09 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3fa2 h VAL 767 CO 0.02 0.23 -0.58 0.24 0.02 0.00 0.00 177.57 177.49 3fa2 h MET 768 N 0.96 0.07 -0.01 1.57 2.07 -1.05 -2.91 114.93 115.62 3fa2 h MET 768 Ca 0.25 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 3fa2 h MET 768 Cb 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 3fa2 h MET 768 CO -0.04 0.63 -0.18 -1.13 1.07 0.00 0.00 176.91 177.25 3fa2 n SER 769 N -3.86 1.65 -3.76 1.22 3.41 -0.57 -4.01 113.62 107.71 3fa2 n SER 769 Ca -0.02 -1.35 -0.24 0.00 -0.26 0.00 0.00 58.87 57.00 3fa2 n SER 769 Cb 0.59 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.01 -2.06 -3.65 7.33 7.35 0.18 -4.05 117.46 122.58 3fa2 n PHE 770 Ca 0.14 0.80 -0.10 0.00 -0.76 0.00 0.00 57.45 57.53 3fa2 n PHE 770 Cb 0.41 -2.89 -0.08 0.00 0.35 0.00 0.00 39.48 37.28 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 -5.00 0.70 -0.85 -4.13 2.12 -0.13 -4.88 118.70 106.53 3fa2 s GLU 771 Ca 0.05 1.08 -0.20 0.00 0.36 0.00 0.00 54.97 56.25 3fa2 s GLU 771 Cb -0.02 0.21 0.11 0.00 0.26 0.00 0.00 34.13 34.68 3fa2 s GLU 771 CO 0.89 -0.13 1.09 -1.17 -0.54 0.00 0.00 175.26 175.40 3fa2 s LEU 772 N 1.15 4.77 0.61 2.70 2.96 -1.26 -4.26 118.68 125.35 3fa2 s LEU 772 Ca -0.06 -1.69 -0.16 0.00 -0.22 0.00 0.00 54.13 51.99 3fa2 s LEU 772 Cb -0.05 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 3fa2 s LEU 772 CO -0.12 -1.20 1.10 -0.76 -1.32 0.00 0.00 176.35 174.05 3fa2 s LEU 773 N 3.23 3.50 0.64 -0.68 1.43 -1.26 -4.67 118.68 120.87 3fa2 s LEU 773 Ca 0.30 1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 3fa2 s LEU 773 Cb -0.08 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 3fa2 s LEU 773 CO -0.04 -1.40 1.08 -2.16 0.23 0.00 0.00 176.35 174.07 3fa2 s PRO 774 N -3.91 3.02 0.00 1.29 0.04 -1.26 -5.08 135.00 129.11 3fa2 s PRO 774 Ca 0.67 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.98 3fa2 s PRO 774 Cb -0.20 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.37 3fa2 s PRO 774 CO 0.37 -1.05 0.55 1.28 0.04 0.00 0.00 177.00 178.18