#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2far h ALA 544 N 0.00 1.11 -0.11 7.54 0.00 -1.95 0.39 119.26 126.24 2far h ALA 544 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2far h ALA 544 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2far h ALA 544 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2far n ALA 545 N -2.17 2.47 -2.45 0.00 0.00 -1.26 -4.31 120.51 112.79 2far n ALA 545 Ca -0.01 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 2far n ALA 545 Cb 0.22 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 18.81 2far n ALA 545 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2far n THR 546 N 1.17 1.86 -3.30 0.00 -2.24 -0.63 -4.36 114.28 106.78 2far n THR 546 Ca 0.16 -3.54 -0.23 0.00 -2.27 0.00 0.00 64.05 58.17 2far n THR 546 Cb 0.55 0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2far n THR 546 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2far n ALA 547 N -0.64 -1.05 -0.91 6.98 0.00 -1.18 -0.62 120.51 123.08 2far n ALA 547 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2far n ALA 547 Cb 0.88 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2far n ALA 547 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2far n GLY 548 N -1.18 0.52 3.74 0.00 0.00 0.03 -4.58 105.19 103.73 2far n GLY 548 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2far n GLY 548 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2far s VAL 549 N -2.39 5.13 -0.03 1.61 1.01 0.20 -4.92 120.40 121.00 2far s VAL 549 Ca 0.00 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 2far s VAL 549 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2far s VAL 549 CO 0.00 0.36 1.07 -0.60 0.00 0.00 0.00 175.10 175.93 2far s ARG 550 N 0.35 4.46 -0.30 2.72 3.52 -1.26 -4.80 118.95 123.63 2far s ARG 550 Ca 0.27 1.52 -0.10 0.00 -0.13 0.00 0.00 55.73 57.29 2far s ARG 550 Cb -0.16 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2far s ARG 550 CO 0.12 -0.24 0.15 0.42 -0.81 0.00 0.00 175.30 174.94 2far s ILE 551 N 1.54 4.68 0.43 4.11 -1.09 -1.26 -4.99 121.20 124.62 2far s ILE 551 Ca 0.53 -0.30 -0.18 0.00 -2.23 0.00 0.00 60.65 58.47 2far s ILE 551 Cb -0.22 -3.34 -0.10 0.00 -1.58 0.00 0.00 42.46 37.22 2far s ILE 551 CO 0.24 0.13 0.91 -0.94 -1.23 0.00 0.00 174.94 174.04 2far s SER 552 N 1.64 6.81 -1.44 3.58 1.04 -1.26 -3.95 113.70 120.11 2far s SER 552 Ca 0.05 1.55 -0.09 0.00 0.48 0.00 0.00 55.95 57.94 2far s SER 552 Cb -0.17 -2.49 0.01 0.00 0.10 0.00 0.00 66.02 63.48 2far s SER 552 CO 0.07 -0.38 0.23 1.41 0.98 0.00 0.00 173.24 175.54 2far n HIS 553 N -0.84 -1.35 -0.05 5.02 8.25 -1.26 -4.80 115.22 120.19 2far n HIS 553 Ca 0.06 0.49 0.19 0.00 -0.26 0.00 0.00 57.72 58.20 2far n HIS 553 Cb 0.54 -2.92 0.64 0.00 1.12 0.00 0.00 29.99 29.37 2far n HIS 553 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2far h PRO 554 N -2.01 0.11 -0.00 -0.41 0.13 -1.97 -2.33 132.00 125.52 2far h PRO 554 Ca -0.67 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2far h PRO 554 Cb 1.40 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2far h PRO 554 CO 0.65 0.08 -0.21 1.04 -0.23 0.00 0.00 178.00 179.33 2far n GLN 555 N -4.40 0.49 -1.98 0.86 1.13 -1.26 -0.94 117.38 111.28 2far n GLN 555 Ca 0.11 -0.21 -0.39 0.00 -1.94 0.00 0.00 57.00 54.57 2far n GLN 555 Cb 0.60 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.46 2far n GLN 555 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2far s ARG 556 N -2.65 3.75 -0.11 -1.09 1.70 -0.88 -4.70 118.95 114.97 2far s ARG 556 Ca 0.22 2.18 -0.27 0.00 -0.47 0.00 0.00 55.73 57.40 2far s ARG 556 Cb 0.19 -2.62 -0.02 0.00 -0.57 0.00 0.00 34.95 31.93 2far s ARG 556 CO 0.54 -0.68 0.87 -0.51 -1.08 0.00 0.00 175.30 174.43 2far s LEU 557 N -2.73 4.25 -0.04 -1.89 1.43 -1.26 -0.86 118.68 117.58 2far s LEU 557 Ca 0.61 1.33 -0.19 0.00 -1.03 0.00 0.00 54.13 54.86 2far s LEU 557 Cb -0.38 -3.33 -0.32 0.00 0.03 0.00 0.00 46.19 42.19 2far s LEU 557 CO 0.49 -0.32 0.85 0.40 0.23 0.00 0.00 176.35 177.99 2far h ILE 558 N 5.01 1.33 -2.87 -0.59 1.08 -0.75 -3.39 117.51 117.33 2far h ILE 558 Ca -0.34 -2.56 -0.52 0.00 -0.39 0.00 0.00 64.86 61.06 2far h ILE 558 Cb 1.16 3.05 -0.40 0.00 -3.07 0.00 0.00 36.82 37.56 2far h ILE 558 CO 0.81 0.75 -0.77 -0.62 -0.69 0.00 0.00 178.15 177.62 2far s ASP 559 N -7.17 3.29 0.55 1.72 2.15 -1.02 -0.95 116.67 115.25 2far s ASP 559 Ca -0.14 -1.15 0.26 0.00 0.43 0.00 0.00 52.55 51.96 2far s ASP 559 Cb 0.03 -0.35 1.61 0.00 -0.30 0.00 0.00 42.92 43.90 2far s ASP 559 CO 0.85 -0.42 2.18 -0.65 -0.17 0.00 0.00 175.17 176.96 2far h PRO 560 N 8.39 0.00 -0.12 4.34 0.11 -1.84 -1.77 132.00 141.12 2far h PRO 560 Ca -0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 2far h PRO 560 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2far h PRO 560 CO 0.41 0.05 -0.01 0.66 -0.21 0.00 0.00 178.00 178.89 2far h SER 561 N 0.00 0.15 0.00 -2.05 4.64 -1.97 -2.83 113.55 111.50 2far h SER 561 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2far h SER 561 Cb 0.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2far h SER 561 CO 0.01 0.20 0.00 2.30 -0.87 0.00 0.00 176.83 178.47 2far n ILE 562 N -4.42 0.78 -3.59 0.95 -5.35 -1.13 -5.01 119.36 101.59 2far n ILE 562 Ca -0.01 -0.87 -0.21 0.00 -0.27 0.00 0.00 62.75 61.39 2far n ILE 562 Cb 0.16 0.62 0.07 0.00 -1.74 0.00 0.00 39.64 38.74 2far n ILE 562 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2far n GLN 563 N -0.39 -6.41 -3.34 6.28 1.13 -0.78 -4.97 117.38 108.90 2far n GLN 563 Ca 0.00 0.76 -0.39 0.00 -1.94 0.00 0.00 57.00 55.43 2far n GLN 563 Cb 0.21 -5.66 -0.08 0.00 0.11 0.00 0.00 30.24 24.82 2far n GLN 563 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2far s ALA 564 N -3.42 3.57 0.56 -1.58 0.00 -0.73 -5.00 121.76 115.16 2far s ALA 564 Ca 0.22 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2far s ALA 564 Cb -0.10 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.28 2far s ALA 564 CO 0.76 -0.67 0.81 -1.54 0.00 0.00 0.00 175.76 175.12 2far s SER 565 N 1.58 5.33 0.23 0.00 1.04 -1.26 -0.09 113.70 120.53 2far s SER 565 Ca 0.17 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 2far s SER 565 Cb -0.16 -1.12 0.22 0.00 0.10 0.00 0.00 66.02 65.06 2far s SER 565 CO 0.10 -1.13 1.80 0.50 0.98 0.00 0.00 173.24 175.48 2far h LYS 566 N -0.01 1.13 -0.73 4.02 3.64 -0.87 -1.99 116.57 121.77 2far h LYS 566 Ca -0.44 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 2far h LYS 566 Cb 1.29 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2far h LYS 566 CO 0.55 0.92 0.42 1.25 -2.27 0.00 0.00 179.45 180.32 2far h LEU 567 N 1.11 0.89 -1.02 5.20 5.85 -1.31 -0.53 115.31 125.49 2far h LEU 567 Ca 0.26 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2far h LEU 567 Cb 0.21 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2far h LEU 567 CO -0.02 0.71 0.32 -0.08 -0.34 0.00 0.00 178.44 179.03 2far h GLU 568 N 1.00 1.02 -0.52 1.25 4.81 -1.71 0.31 114.58 120.73 2far h GLU 568 Ca 0.26 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2far h GLU 568 Cb 0.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2far h GLU 568 CO -0.05 0.80 0.06 1.25 -0.73 0.00 0.00 179.01 180.34 2far h LEU 569 N 1.01 0.86 -0.30 1.64 5.85 -0.78 -0.83 115.31 122.76 2far h LEU 569 Ca 0.24 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2far h LEU 569 Cb 0.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2far h LEU 569 CO -0.03 0.92 0.07 0.00 -0.34 0.00 0.00 178.44 179.06 2far h ALA 570 N 0.97 0.40 -0.36 1.25 0.00 -0.59 -2.32 119.26 118.60 2far h ALA 570 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2far h ALA 570 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2far h ALA 570 CO 0.02 0.06 0.18 0.93 0.00 0.00 0.00 179.25 180.44 2far h GLU 571 N 0.32 0.49 -0.27 0.00 5.08 -0.76 -1.11 114.58 118.34 2far h GLU 571 Ca 0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2far h GLU 571 Cb 0.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2far h GLU 571 CO 0.00 0.38 0.08 0.35 -1.00 0.00 0.00 179.01 178.82 2far h PHE 572 N 0.50 0.44 0.00 4.33 3.57 -0.86 -0.67 116.94 124.26 2far h PHE 572 Ca 0.13 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2far h PHE 572 Cb 0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2far h PHE 572 CO 0.00 0.48 -0.34 0.45 -2.23 0.00 0.00 178.31 176.67 2far h HIS 573 N 0.28 0.00 0.02 0.41 3.86 -0.83 -1.27 115.15 117.61 2far h HIS 573 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2far h HIS 573 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2far h HIS 573 CO 0.01 0.34 -0.01 0.00 0.86 0.00 0.00 177.93 179.13 2far h ALA 574 N 1.66 -0.02 -0.93 2.45 0.00 -1.01 -0.54 119.26 120.86 2far h ALA 574 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2far h ALA 574 Cb 0.63 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2far h ALA 574 CO 0.04 -0.20 0.62 -0.09 0.00 0.00 0.00 179.25 179.62 2far h ARG 575 N -0.65 1.22 -0.42 0.00 2.43 -0.98 -2.93 114.38 113.06 2far h ARG 575 Ca -0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2far h ARG 575 Cb 0.62 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2far h ARG 575 CO 0.00 0.81 0.02 0.66 -1.51 0.00 0.00 179.97 179.95 2far n TYR 576 N -4.44 1.50 -0.25 2.20 4.02 -0.49 -4.65 117.16 115.05 2far n TYR 576 Ca 0.11 -0.88 0.04 0.00 -0.01 0.00 0.00 57.90 57.16 2far n TYR 576 Cb 0.02 -0.43 0.17 0.00 -0.02 0.00 0.00 39.34 39.09 2far n TYR 576 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2far h ALA 577 N 2.66 1.01 -0.83 -0.72 0.00 -0.89 -0.87 119.26 119.62 2far h ALA 577 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2far h ALA 577 Cb 1.73 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 2far h ALA 577 CO 0.37 -0.21 0.55 -0.44 0.00 0.00 0.00 179.25 179.52 2far h ASP 578 N 0.43 0.93 0.03 0.00 3.32 -1.84 0.92 116.42 120.22 2far h ASP 578 Ca 0.40 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 2far h ASP 578 Cb 0.59 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2far h ASP 578 CO -0.39 0.67 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.71 2far h LEU 579 N 1.10 -0.03 -1.22 1.55 3.38 -1.53 -2.66 115.31 115.89 2far h LEU 579 Ca 0.31 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2far h LEU 579 Cb -0.10 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2far h LEU 579 CO -0.07 0.14 0.02 -0.07 0.09 0.00 0.00 178.44 178.55 2far h LEU 580 N -0.21 0.52 -1.76 1.67 4.07 -0.96 -2.29 115.31 116.35 2far h LEU 580 Ca -0.00 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2far h LEU 580 Cb 0.19 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2far h LEU 580 CO 0.01 0.57 0.00 -0.07 -1.08 0.00 0.00 178.44 177.87 2far h LEU 581 N 0.53 0.00 -2.08 1.67 3.38 -0.68 -1.18 115.31 116.96 2far h LEU 581 Ca 0.12 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2far h LEU 581 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2far h LEU 581 CO 0.01 0.00 0.18 0.03 0.09 0.00 0.00 178.44 178.75 2far h ARG 582 N 0.00 0.00 0.00 1.13 3.08 -1.06 -1.69 114.38 115.85 2far h ARG 582 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 2far h ARG 582 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 2far h ARG 582 CO 0.00 0.00 -2.22 -3.47 -1.07 0.00 0.00 179.97 173.21 2far n ASP 583 N -4.28 2.21 0.10 7.04 2.03 -0.60 -4.73 116.55 118.33 2far n ASP 583 Ca 0.03 -0.04 -0.02 0.00 0.52 0.00 0.00 54.79 55.28 2far n ASP 583 Cb 0.33 -0.40 -0.04 0.00 -0.72 0.00 0.00 41.12 40.29 2far n ASP 583 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2far h LEU 584 N -0.15 0.00 -0.95 -2.67 3.38 -1.18 -3.39 115.31 110.36 2far h LEU 584 Ca -0.49 0.00 0.29 0.00 0.09 0.00 0.00 57.88 57.77 2far h LEU 584 Cb 1.69 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.28 2far h LEU 584 CO -0.13 0.72 0.27 -0.09 0.09 0.00 0.00 178.44 179.30 2far h ARG 585 N 0.00 0.12 -0.10 1.13 2.43 -1.39 -2.22 114.38 114.36 2far h ARG 585 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2far h ARG 585 Cb 1.55 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 2far h ARG 585 CO 0.09 0.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.02 2far n GLU 586 N -5.29 2.29 -4.57 0.20 -0.58 -1.26 -4.57 120.64 106.86 2far n GLU 586 Ca 0.26 -2.26 -0.27 0.00 -0.42 0.00 0.00 57.16 54.47 2far n GLU 586 Cb 0.85 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 30.19 2far n GLU 586 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2far s ARG 587 N -2.10 1.44 0.64 3.49 0.52 -0.83 -0.62 118.95 121.48 2far s ARG 587 Ca 0.24 -1.14 -0.17 0.00 -0.52 0.00 0.00 55.73 54.14 2far s ARG 587 Cb 0.19 -1.70 -0.01 0.00 0.52 0.00 0.00 34.95 33.95 2far s ARG 587 CO 0.05 0.42 1.19 -2.14 0.02 0.00 0.00 175.30 174.84 2far s PRO 588 N -1.58 2.74 0.02 3.54 0.02 -1.26 -4.49 135.00 133.99 2far s PRO 588 Ca 0.10 1.75 0.03 0.00 0.02 0.00 0.00 61.00 62.90 2far s PRO 588 Cb -0.10 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2far s PRO 588 CO 0.03 -1.37 -0.08 0.54 -0.33 0.00 0.00 177.00 175.79 2far s VAL 589 N -1.79 0.63 -0.04 3.83 0.11 0.15 -2.41 120.40 120.87 2far s VAL 589 Ca 0.75 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2far s VAL 589 Cb -0.29 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2far s VAL 589 CO 0.37 -0.04 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.66 2far s SER 590 N -0.76 5.13 0.01 3.54 0.01 0.12 -4.30 113.70 117.45 2far s SER 590 Ca -0.01 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.32 2far s SER 590 Cb -0.06 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 2far s SER 590 CO 0.00 0.33 -0.01 -0.76 0.41 0.00 0.00 173.24 173.21 2far s LEU 591 N -1.21 3.44 -0.34 2.44 1.43 0.37 -1.33 118.68 123.47 2far s LEU 591 Ca 0.16 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2far s LEU 591 Cb -0.11 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.18 2far s LEU 591 CO 0.06 0.26 0.06 -0.69 0.23 0.00 0.00 176.35 176.28 2far s VAL 592 N -1.10 2.80 -0.14 -1.59 1.01 -0.80 0.09 120.40 120.67 2far s VAL 592 Ca 0.20 -1.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.24 2far s VAL 592 Cb -0.11 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2far s VAL 592 CO 0.11 -0.41 0.08 -0.13 0.00 0.00 0.00 175.10 174.75 2far s ARG 593 N 1.11 3.54 -0.45 2.72 0.52 0.47 -0.56 118.95 126.29 2far s ARG 593 Ca 0.03 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2far s ARG 593 Cb -0.21 -3.11 0.14 0.00 0.52 0.00 0.00 34.95 32.29 2far s ARG 593 CO -0.04 0.58 0.27 0.20 0.02 0.00 0.00 175.30 176.33 2far s GLY 594 N -0.49 1.68 0.64 -3.53 0.00 -0.01 -0.05 107.32 105.55 2far s GLY 594 Ca 0.11 -2.64 0.37 0.00 0.00 0.00 0.00 44.72 42.56 2far s GLY 594 CO 0.02 1.60 2.25 -0.56 0.00 0.00 0.00 173.10 176.41 2far h PRO 595 N 6.51 0.00 -0.06 2.90 0.13 -1.78 -2.27 132.00 137.44 2far h PRO 595 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2far h PRO 595 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2far h PRO 595 CO 0.47 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 177.95 2far n ASP 596 N -3.33 2.57 0.00 1.44 8.00 -1.26 -5.06 116.55 118.91 2far n ASP 596 Ca -0.02 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.32 2far n ASP 596 Cb 0.15 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2far n ASP 596 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2far n GLY 597 N -1.24 -2.33 0.12 0.44 0.00 -0.86 -3.71 105.19 97.61 2far n GLY 597 Ca 0.18 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.76 2far n GLY 597 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2far n ILE 598 N -0.72 0.87 0.79 -0.61 -5.35 -0.12 -1.61 119.36 112.60 2far n ILE 598 Ca 0.00 0.27 0.13 0.00 -0.27 0.00 0.00 62.75 62.88 2far n ILE 598 Cb 0.00 -1.19 0.48 0.00 -1.74 0.00 0.00 39.64 37.19 2far n ILE 598 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2far n GLY 599 N -0.11 -1.60 0.00 3.28 0.00 -1.26 -4.82 105.19 100.69 2far n GLY 599 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2far n GLY 599 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2far n GLY 600 N 1.39 2.19 3.99 -0.02 0.00 -0.63 -5.12 105.19 106.99 2far n GLY 600 Ca 0.06 -2.00 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 2far n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2far s GLU 601 N 3.16 3.00 0.01 1.61 8.01 -1.26 -4.96 118.70 128.26 2far s GLU 601 Ca 0.00 -0.99 0.07 0.00 0.01 0.00 0.00 54.97 54.06 2far s GLU 601 Cb 0.00 -2.75 -0.03 0.00 -4.31 0.00 0.00 34.13 27.04 2far s GLU 601 CO 0.00 -0.12 -0.21 -0.51 0.01 0.00 0.00 175.26 174.44 2far s LEU 602 N -4.31 2.43 -0.24 1.80 1.43 -1.26 -4.44 118.68 114.09 2far s LEU 602 Ca 0.49 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2far s LEU 602 Cb -0.10 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 2far s LEU 602 CO 0.33 0.29 0.01 0.12 0.23 0.00 0.00 176.35 177.33 2far s PHE 603 N -0.79 3.03 -0.48 0.29 5.36 0.92 -4.93 117.98 121.39 2far s PHE 603 Ca 0.12 -0.88 -0.19 0.00 -0.96 0.00 0.00 56.93 55.02 2far s PHE 603 Cb -0.10 -2.16 0.05 0.00 -0.34 0.00 0.00 43.02 40.46 2far s PHE 603 CO 0.02 -0.53 0.57 0.12 -1.46 0.00 0.00 175.22 173.95 2far s PHE 604 N 1.50 3.09 -0.14 10.12 5.36 -1.26 -0.40 117.98 136.26 2far s PHE 604 Ca 0.05 -0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 55.53 2far s PHE 604 Cb -0.15 -3.35 -0.03 0.00 -0.34 0.00 0.00 43.02 39.16 2far s PHE 604 CO -0.01 -0.92 -0.06 -1.14 -1.46 0.00 0.00 175.22 171.64 2far s GLN 605 N 2.48 3.49 -0.14 10.12 0.74 0.11 -4.95 119.66 131.51 2far s GLN 605 Ca 0.15 -0.55 0.02 0.00 0.05 0.00 0.00 55.36 55.03 2far s GLN 605 Cb -0.18 -2.82 -0.10 0.00 1.10 0.00 0.00 33.01 31.00 2far s GLN 605 CO 0.13 0.31 -0.11 1.63 -0.55 0.00 0.00 175.29 176.69 2far n LYS 606 N 3.32 0.54 -4.40 1.67 5.02 -1.26 -0.48 118.16 122.57 2far n LYS 606 Ca -0.18 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 55.95 2far n LYS 606 Cb 0.53 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.14 2far n LYS 606 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2far s HIS 607 N -2.28 2.09 -0.19 2.13 3.76 -1.26 -3.61 115.29 115.92 2far s HIS 607 Ca -0.18 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.21 2far s HIS 607 Cb 0.05 -1.00 0.06 0.00 1.11 0.00 0.00 32.58 32.80 2far s HIS 607 CO 0.34 0.49 0.47 0.00 -0.85 0.00 0.00 174.74 175.19 2far s ALA 608 N -2.13 -1.20 -0.12 -1.40 0.00 -0.73 -4.96 121.76 111.22 2far s ALA 608 Ca 0.22 1.64 -0.27 0.00 0.00 0.00 0.00 51.96 53.55 2far s ALA 608 Cb -0.06 -0.99 -0.26 0.00 0.00 0.00 0.00 23.12 21.81 2far s ALA 608 CO 0.10 -0.28 0.83 0.00 0.00 0.00 0.00 175.76 176.41 2far h ALA 609 N 6.82 -0.01 -3.36 0.00 0.00 -1.93 -3.32 119.26 117.46 2far h ALA 609 Ca -0.34 -0.52 -0.61 0.00 0.00 0.00 0.00 54.91 53.44 2far h ALA 609 Cb 1.19 0.02 -0.33 0.00 0.00 0.00 0.00 17.79 18.66 2far h ALA 609 CO 0.26 0.05 -0.85 1.03 0.00 0.00 0.00 179.25 179.74 2far s ARG 610 N -2.39 2.51 -0.10 0.00 0.52 -1.26 -4.96 118.95 113.27 2far s ARG 610 Ca -0.18 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.37 2far s ARG 610 Cb -0.02 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 33.49 2far s ARG 610 CO 0.71 0.11 -0.18 -0.51 0.02 0.00 0.00 175.30 175.45 2far s LEU 611 N 0.50 2.47 -0.35 2.53 1.43 -1.26 -4.98 118.68 119.03 2far s LEU 611 Ca -0.16 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2far s LEU 611 Cb -0.17 -1.52 0.74 0.00 0.03 0.00 0.00 46.19 45.27 2far s LEU 611 CO 0.06 0.21 1.83 1.17 0.23 0.00 0.00 176.35 179.86 2far n LYS 612 N 3.19 3.50 -3.65 1.70 3.00 -1.26 -4.81 118.16 119.83 2far n LYS 612 Ca -0.18 -3.09 -0.39 0.00 -0.00 0.00 0.00 58.31 54.65 2far n LYS 612 Cb 0.53 -2.22 -0.09 0.00 0.00 0.00 0.00 35.03 33.24 2far n LYS 612 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2far s ILE 613 N -3.05 3.86 0.08 3.15 1.01 -1.26 -4.99 121.20 119.99 2far s ILE 613 Ca 0.56 -2.13 -0.33 0.00 0.00 0.00 0.00 60.65 58.75 2far s ILE 613 Cb 0.45 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 39.24 2far s ILE 613 CO 0.13 -0.78 1.78 -2.65 0.00 0.00 0.00 174.94 173.42 2far n PRO 614 N 4.49 2.44 0.00 2.79 -0.02 -1.26 -1.76 135.00 141.68 2far n PRO 614 Ca -0.02 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2far n PRO 614 Cb 0.41 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2far n PRO 614 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2far n GLY 615 N 4.04 3.25 3.76 -1.23 0.00 -1.26 -3.86 105.19 109.90 2far n GLY 615 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2far n GLY 615 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2far s ILE 616 N -2.89 2.48 -0.18 -0.61 2.07 -0.72 -4.74 121.20 116.61 2far s ILE 616 Ca 0.00 0.38 -0.06 0.00 -1.41 0.00 0.00 60.65 59.56 2far s ILE 616 Cb 0.00 -3.20 -0.03 0.00 0.13 0.00 0.00 42.46 39.36 2far s ILE 616 CO 0.00 0.01 0.01 -0.69 -1.91 0.00 0.00 174.94 172.36 2far s VAL 617 N -1.37 4.27 -0.26 4.00 1.01 -0.25 -4.99 120.40 122.82 2far s VAL 617 Ca 0.66 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 2far s VAL 617 Cb -0.37 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2far s VAL 617 CO 0.44 0.46 0.30 -1.10 0.00 0.00 0.00 175.10 175.20 2far s GLN 618 N 0.52 4.03 0.81 2.72 -0.21 -1.26 -1.02 119.66 125.25 2far s GLN 618 Ca -0.00 -0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.19 2far s GLN 618 Cb -0.14 -3.62 0.08 0.00 1.00 0.00 0.00 33.01 30.33 2far s GLN 618 CO 0.02 -0.16 1.18 -0.51 -2.12 0.00 0.00 175.29 173.70 2far s LEU 619 N 1.70 2.51 0.04 2.90 1.43 -0.52 -4.94 118.68 121.80 2far s LEU 619 Ca 0.12 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 2far s LEU 619 Cb -0.15 -3.30 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 2far s LEU 619 CO 0.09 -1.89 1.72 -0.62 0.23 0.00 0.00 176.35 175.87 2far s ASP 620 N -4.57 6.58 0.59 2.29 -1.08 -1.26 -4.17 116.67 115.06 2far s ASP 620 Ca 0.62 2.48 0.29 0.00 -0.52 0.00 0.00 52.55 55.42 2far s ASP 620 Cb -0.11 -2.55 1.67 0.00 -1.46 0.00 0.00 42.92 40.47 2far s ASP 620 CO 0.49 -0.93 2.10 -0.65 0.52 0.00 0.00 175.17 176.70 2far h PRO 621 N 8.97 0.00 0.00 4.34 0.11 -1.90 -0.23 132.00 143.29 2far h PRO 621 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2far h PRO 621 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2far h PRO 621 CO 0.94 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.78 2far h ALA 622 N 1.76 1.04 0.00 -0.75 0.00 -1.94 0.50 119.26 119.87 2far h ALA 622 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2far h ALA 622 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2far h ALA 622 CO -0.00 -0.04 -0.18 -0.07 0.00 0.00 0.00 179.25 178.95 2far h LEU 623 N 0.00 0.00 -5.37 0.00 3.38 -1.41 -3.37 115.31 108.53 2far h LEU 623 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2far h LEU 623 Cb 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.62 2far h LEU 623 CO 0.00 0.18 -0.67 -0.67 0.09 0.00 0.00 178.44 177.37 2far n ASP 624 N -3.24 -2.19 -4.64 -0.43 2.03 0.13 -5.12 116.55 103.08 2far n ASP 624 Ca 0.01 -2.95 -0.41 0.00 0.52 0.00 0.00 54.79 51.97 2far n ASP 624 Cb 0.48 1.04 0.01 0.00 -0.72 0.00 0.00 41.12 41.93 2far n ASP 624 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2far n PRO 625 N 2.17 1.50 -0.60 -0.67 -0.02 -0.95 -2.82 135.00 133.61 2far n PRO 625 Ca 0.17 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2far n PRO 625 Cb 0.57 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2far n PRO 625 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2far n GLY 626 N 1.08 0.75 3.11 -1.23 0.00 -1.26 -5.04 105.19 102.58 2far n GLY 626 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2far n GLY 626 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2far s HIS 627 N -2.54 0.64 1.18 1.61 3.76 -1.13 -5.15 115.29 113.65 2far s HIS 627 Ca 0.00 -0.92 -0.16 0.00 -0.15 0.00 0.00 55.06 53.83 2far s HIS 627 Cb 0.00 -0.42 0.27 0.00 1.11 0.00 0.00 32.58 33.55 2far s HIS 627 CO 0.00 -0.26 1.05 -2.14 -0.85 0.00 0.00 174.74 172.54 2far s PRO 628 N -3.47 -1.00 0.44 8.40 0.02 -1.26 -4.89 135.00 133.24 2far s PRO 628 Ca 0.05 0.40 -0.25 0.00 0.02 0.00 0.00 61.00 61.22 2far s PRO 628 Cb 0.04 -1.58 -0.09 0.00 0.02 0.00 0.00 34.50 32.89 2far s PRO 628 CO -0.06 -3.66 1.37 -2.30 -0.33 0.00 0.00 177.00 172.01 2far n PRO 629 N -4.81 2.13 -1.33 5.54 -0.02 -1.25 -4.58 135.00 130.68 2far n PRO 629 Ca 0.07 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.01 2far n PRO 629 Cb 0.57 -2.53 0.21 0.00 -0.02 0.00 0.00 33.50 31.73 2far n PRO 629 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2far s LEU 630 N -2.26 1.37 0.14 2.45 1.43 -1.26 -1.78 118.68 118.77 2far s LEU 630 Ca 0.61 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 54.44 2far s LEU 630 Cb -0.47 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 2far s LEU 630 CO 0.58 -3.55 -0.22 -0.76 0.23 0.00 0.00 176.35 172.62 2far s LEU 631 N -6.56 2.36 -0.10 1.79 1.43 -1.24 -1.44 118.68 114.92 2far s LEU 631 Ca 0.70 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2far s LEU 631 Cb -0.10 -1.01 0.04 0.00 0.03 0.00 0.00 46.19 45.15 2far s LEU 631 CO 0.55 0.08 0.24 -1.58 0.23 0.00 0.00 176.35 175.87 2far s GLN 632 N -2.29 0.21 -0.23 1.70 0.74 -0.19 -0.68 119.66 118.93 2far s GLN 632 Ca 0.13 0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.98 2far s GLN 632 Cb -0.09 -0.07 0.01 0.00 1.10 0.00 0.00 33.01 33.97 2far s GLN 632 CO 0.06 -0.13 -0.06 0.42 -0.55 0.00 0.00 175.29 175.03 2far s ILE 633 N 0.99 3.11 -0.07 -2.34 1.01 -1.26 -1.10 121.20 121.54 2far s ILE 633 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2far s ILE 633 Cb -0.08 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2far s ILE 633 CO -0.06 0.33 0.93 0.54 0.00 0.00 0.00 174.94 176.68 2far n ARG 634 N 4.74 2.29 -3.82 2.79 1.74 -1.26 -3.74 116.66 119.40 2far n ARG 634 Ca -0.18 -1.36 -0.10 0.00 -0.77 0.00 0.00 57.85 55.45 2far n ARG 634 Cb 0.49 -1.02 -0.06 0.00 -1.02 0.00 0.00 32.46 30.86 2far n ARG 634 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2far s SER 635 N -0.83 -0.07 0.23 0.55 1.04 -1.26 -4.91 113.70 108.44 2far s SER 635 Ca 0.01 -0.62 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 2far s SER 635 Cb 0.01 0.46 0.22 0.00 0.10 0.00 0.00 66.02 66.80 2far s SER 635 CO 0.01 -0.89 1.80 0.00 0.98 0.00 0.00 173.24 175.14 2far h ALA 636 N 2.47 1.10 -0.50 5.32 0.00 -1.94 -0.33 119.26 125.37 2far h ALA 636 Ca -0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2far h ALA 636 Cb 1.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2far h ALA 636 CO 0.47 0.64 0.30 0.93 0.00 0.00 0.00 179.25 181.59 2far h GLU 637 N 1.10 0.68 -0.45 0.00 3.07 -1.91 0.11 114.58 117.17 2far h GLU 637 Ca 0.25 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 2far h GLU 637 Cb 0.21 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2far h GLU 637 CO -0.02 0.50 0.01 0.00 -1.40 0.00 0.00 179.01 178.09 2far h ALA 638 N 1.14 0.61 0.25 3.43 0.00 -1.60 0.15 119.26 123.24 2far h ALA 638 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2far h ALA 638 Cb -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2far h ALA 638 CO -0.03 0.40 -0.14 1.25 0.00 0.00 0.00 179.25 180.73 2far h LEU 639 N 0.65 -0.33 -0.80 0.00 5.85 -0.70 -0.60 115.31 119.38 2far h LEU 639 Ca 0.13 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2far h LEU 639 Cb 0.49 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2far h LEU 639 CO 0.02 -0.22 0.03 0.58 -0.34 0.00 0.00 178.44 178.51 2far h VAL 640 N -0.36 1.25 -0.82 1.05 2.07 -0.75 -2.17 116.25 116.52 2far h VAL 640 Ca -0.03 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.52 2far h VAL 640 Cb 0.29 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2far h VAL 640 CO 0.04 0.38 0.54 1.23 0.02 0.00 0.00 177.57 179.77 2far h GLY 641 N 1.00 1.15 0.99 2.17 0.00 -0.37 0.66 103.07 108.67 2far h GLY 641 Ca 0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2far h GLY 641 CO 0.02 0.24 0.18 0.00 0.00 0.00 0.00 176.54 176.98 2far h ALA 642 N 1.56 0.72 -0.65 3.60 0.00 -0.48 -1.96 119.26 122.06 2far h ALA 642 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2far h ALA 642 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2far h ALA 642 CO -0.13 0.38 0.34 0.28 0.00 0.00 0.00 179.25 180.11 2far h VAL 643 N 0.77 1.21 -0.47 0.00 2.07 -0.84 -1.20 116.25 117.79 2far h VAL 643 Ca 0.18 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.24 2far h VAL 643 Cb 0.27 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2far h VAL 643 CO -0.01 0.24 0.33 -0.61 0.02 0.00 0.00 177.57 177.54 2far h GLN 644 N 0.89 0.17 -0.71 1.57 5.75 -0.44 0.72 115.11 123.05 2far h GLN 644 Ca 0.23 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2far h GLN 644 Cb 0.08 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.59 2far h GLN 644 CO -0.03 0.11 0.00 -1.33 -2.65 0.00 0.00 178.83 174.93 2far n MET 645 N -4.44 3.57 -0.01 1.69 2.81 -0.56 -4.84 117.12 115.34 2far n MET 645 Ca 0.08 -2.10 0.00 0.00 -1.81 0.00 0.00 57.70 53.87 2far n MET 645 Cb 0.42 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 2far n MET 645 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2far n GLY 646 N 0.45 0.22 3.75 3.03 0.00 0.24 -4.94 105.19 107.95 2far n GLY 646 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2far n GLY 646 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2far s SER 647 N -2.39 6.57 0.00 1.61 0.01 -0.57 -0.83 113.70 118.10 2far s SER 647 Ca 0.00 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.04 2far s SER 647 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2far s SER 647 CO 0.00 -0.74 0.00 -0.38 0.41 0.00 0.00 173.24 172.53 2far n ILE 648 N 1.83 0.00 -4.36 1.44 5.41 0.27 -4.33 119.36 119.62 2far n ILE 648 Ca 0.05 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.53 2far n ILE 648 Cb 0.40 -0.57 -0.11 0.00 -0.71 0.00 0.00 39.64 38.64 2far n ILE 648 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2far s GLU 649 N -1.96 1.68 -0.09 0.38 2.02 -1.03 -4.36 118.70 115.35 2far s GLU 649 Ca 0.00 -1.37 0.01 0.00 0.02 0.00 0.00 54.97 53.63 2far s GLU 649 Cb 0.00 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.27 2far s GLU 649 CO 0.00 0.43 -0.09 -0.06 0.02 0.00 0.00 175.26 175.56 2far s PHE 650 N -1.48 1.42 -0.08 1.61 0.08 -1.26 -1.90 117.98 116.36 2far s PHE 650 Ca 0.20 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.67 2far s PHE 650 Cb -0.09 -1.13 -0.00 0.00 -0.57 0.00 0.00 43.02 41.23 2far s PHE 650 CO 0.11 -0.41 -0.23 -1.01 -0.10 0.00 0.00 175.22 173.58 2far s HIS 651 N 1.29 2.41 0.18 0.36 3.76 -0.45 -1.53 115.29 121.31 2far s HIS 651 Ca -0.03 -0.89 0.07 0.00 -0.15 0.00 0.00 55.06 54.05 2far s HIS 651 Cb -0.14 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 2far s HIS 651 CO -0.03 -0.34 0.04 0.95 -0.85 0.00 0.00 174.74 174.51 2far s THR 652 N 0.20 3.93 0.67 1.30 -4.23 -0.75 0.14 115.64 116.91 2far s THR 652 Ca -0.14 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 2far s THR 652 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2far s THR 652 CO 0.07 -0.13 1.08 0.26 -0.54 0.00 0.00 174.62 175.35 2far s TRP 653 N -1.78 2.84 -0.21 3.99 0.52 -1.01 -1.77 118.94 121.53 2far s TRP 653 Ca 0.29 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.93 2far s TRP 653 Cb -0.09 -3.02 0.18 0.00 -1.15 0.00 0.00 33.47 29.39 2far s TRP 653 CO 0.20 -1.43 1.18 0.09 0.02 0.00 0.00 176.95 177.02 2far n ASN 654 N -2.73 3.07 -3.85 2.95 3.02 -1.26 -4.80 115.26 111.65 2far n ASN 654 Ca 0.09 -2.39 -0.10 0.00 -0.03 0.00 0.00 54.58 52.14 2far n ASN 654 Cb 0.53 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 2far n ASN 654 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2far s ALA 655 N -0.93 -0.34 0.28 5.41 0.00 -1.26 -1.19 121.76 123.73 2far s ALA 655 Ca 0.15 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 51.92 2far s ALA 655 Cb 0.12 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2far s ALA 655 CO 0.03 -0.34 -0.02 -1.12 0.00 0.00 0.00 175.76 174.30 2far s SER 656 N -2.02 4.38 0.61 0.00 0.01 -1.26 -4.36 113.70 111.06 2far s SER 656 Ca -0.06 -0.74 0.28 0.00 1.31 0.00 0.00 55.95 56.74 2far s SER 656 Cb -0.02 -0.73 1.41 0.00 0.21 0.00 0.00 66.02 66.89 2far s SER 656 CO -0.03 -0.03 1.82 -0.07 0.41 0.00 0.00 173.24 175.34 2far h LEU 657 N 1.92 0.00 -1.05 2.44 -0.00 -1.26 -0.86 115.31 116.50 2far h LEU 657 Ca -0.43 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 57.60 2far h LEU 657 Cb 1.25 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.82 2far h LEU 657 CO 0.61 0.00 0.62 0.00 -0.00 0.00 0.00 178.44 179.67 2far h ALA 658 N 1.30 1.64 -0.69 1.53 0.00 -1.95 -3.39 119.26 117.69 2far h ALA 658 Ca 0.19 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2far h ALA 658 Cb 1.25 -0.14 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 2far h ALA 658 CO -0.00 0.06 -0.22 1.21 0.00 0.00 0.00 179.25 180.30 2far s ASN 659 N -5.58 -1.12 0.00 0.00 3.84 -0.33 -5.02 114.94 106.72 2far s ASN 659 Ca -0.11 0.17 0.22 0.00 0.21 0.00 0.00 52.86 53.34 2far s ASN 659 Cb 0.23 1.73 1.30 0.00 -0.55 0.00 0.00 41.25 43.96 2far s ASN 659 CO 0.80 -0.21 1.78 0.18 -2.79 0.00 0.00 177.10 176.86 2far n LEU 660 N 5.30 0.00 -0.64 3.21 4.77 -1.19 -2.89 117.00 125.56 2far n LEU 660 Ca 0.06 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2far n LEU 660 Cb 0.55 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 2far n LEU 660 CO -0.10 0.00 0.48 -0.62 -1.33 0.00 0.00 177.39 175.82 2far n GLU 661 N -0.88 1.45 -3.72 3.23 -0.58 -1.26 -4.79 120.64 114.09 2far n GLU 661 Ca 0.16 -1.42 -0.30 0.00 -0.42 0.00 0.00 57.16 55.19 2far n GLU 661 Cb 0.07 -1.32 -0.15 0.00 -0.57 0.00 0.00 31.44 29.47 2far n GLU 661 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2far s ARG 662 N -1.52 0.77 0.45 3.49 1.81 -1.14 -3.98 118.95 118.82 2far s ARG 662 Ca 0.19 -1.19 -0.23 0.00 -1.72 0.00 0.00 55.73 52.78 2far s ARG 662 Cb 0.14 -2.00 -0.09 0.00 -0.45 0.00 0.00 34.95 32.55 2far s ARG 662 CO 0.25 -1.02 1.04 -2.30 -0.68 0.00 0.00 175.30 172.59 2far n PRO 663 N 4.67 1.36 -0.50 3.54 -0.02 -1.25 -4.74 135.00 138.05 2far n PRO 663 Ca -0.00 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 2far n PRO 663 Cb 0.41 -2.11 0.28 0.00 -0.02 0.00 0.00 33.50 32.06 2far n PRO 663 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2far n ASP 664 N 0.25 4.17 0.00 2.55 5.68 -0.33 -4.40 116.55 124.46 2far n ASP 664 Ca 0.10 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.57 2far n ASP 664 Cb 0.41 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 2far n ASP 664 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2far n ARG 665 N -0.03 0.00 -4.14 0.11 1.85 -1.22 -1.14 116.66 112.09 2far n ARG 665 Ca 0.22 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.95 2far n ARG 665 Cb 0.89 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.19 2far n ARG 665 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2far s PHE 666 N -2.00 0.87 0.03 2.89 -0.12 -0.47 -4.84 117.98 114.34 2far s PHE 666 Ca 0.00 -0.76 0.07 0.00 -0.05 0.00 0.00 56.93 56.18 2far s PHE 666 Cb 0.00 -0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 41.87 2far s PHE 666 CO 0.00 -0.11 -0.20 0.08 -0.05 0.00 0.00 175.22 174.95 2far s VAL 667 N -2.85 1.56 -0.20 -2.49 1.01 -1.26 -1.40 120.40 114.78 2far s VAL 667 Ca 0.05 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2far s VAL 667 Cb -0.00 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2far s VAL 667 CO -0.03 0.23 -0.17 -0.76 0.00 0.00 0.00 175.10 174.37 2far s LEU 668 N -1.02 2.45 -0.32 3.92 1.43 -0.26 -4.65 118.68 120.22 2far s LEU 668 Ca 0.07 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2far s LEU 668 Cb -0.08 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.66 2far s LEU 668 CO 0.01 -0.04 0.07 -0.62 0.23 0.00 0.00 176.35 176.00 2far s ASP 669 N 1.27 5.18 -0.44 2.29 2.15 -0.65 -0.92 116.67 125.55 2far s ASP 669 Ca 0.02 -1.15 -0.28 0.00 0.43 0.00 0.00 52.55 51.58 2far s ASP 669 Cb -0.14 -1.82 0.03 0.00 -0.30 0.00 0.00 42.92 40.68 2far s ASP 669 CO -0.11 -0.30 1.08 -0.76 -0.17 0.00 0.00 175.17 174.92 2far s LEU 670 N 1.37 3.76 -0.34 -1.34 1.43 -0.81 -0.48 118.68 122.27 2far s LEU 670 Ca -0.02 0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 2far s LEU 670 Cb -0.19 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2far s LEU 670 CO 0.02 -1.14 0.14 -1.81 0.23 0.00 0.00 176.35 173.78 2far s ASP 671 N 2.27 5.44 0.48 2.29 1.01 -0.23 -3.79 116.67 124.13 2far s ASP 671 Ca 0.45 -0.94 -0.00 0.00 0.71 0.00 0.00 52.55 52.77 2far s ASP 671 Cb -0.09 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2far s ASP 671 CO 0.28 -0.30 0.71 -2.16 0.21 0.00 0.00 175.17 173.91 2far s PRO 672 N 1.50 2.98 0.20 8.23 0.04 -1.26 0.30 135.00 146.99 2far s PRO 672 Ca 0.01 -0.46 -0.30 0.00 0.04 0.00 0.00 61.00 60.29 2far s PRO 672 Cb -0.19 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2far s PRO 672 CO 0.04 -0.38 1.30 0.34 0.04 0.00 0.00 177.00 178.34 2far s ASP 673 N -4.25 6.91 0.48 6.66 -1.08 -0.63 -4.89 116.67 119.88 2far s ASP 673 Ca 0.50 2.40 0.26 0.00 -0.52 0.00 0.00 52.55 55.19 2far s ASP 673 Cb -0.10 -2.61 1.32 0.00 -1.46 0.00 0.00 42.92 40.07 2far s ASP 673 CO 0.39 -0.51 1.85 1.55 0.52 0.00 0.00 175.17 178.97 2far h PRO 674 N 5.24 0.17 -1.00 4.34 0.13 -1.93 -0.91 132.00 138.04 2far h PRO 674 Ca -0.45 -0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 2far h PRO 674 Cb 1.21 -0.04 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 2far h PRO 674 CO 0.76 0.11 0.64 0.00 -0.23 0.00 0.00 178.00 179.28 2far n ALA 675 N -2.63 5.50 -2.79 -0.56 0.00 -1.26 -4.94 120.51 113.83 2far n ALA 675 Ca 0.20 -2.78 -0.35 0.00 0.00 0.00 0.00 53.44 50.51 2far n ALA 675 Cb 0.90 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 2far n ALA 675 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2far s LEU 676 N -3.15 3.77 0.37 0.00 2.96 -0.35 -5.01 118.68 117.26 2far s LEU 676 Ca 0.54 0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 54.32 2far s LEU 676 Cb 0.46 -1.91 -0.11 0.00 0.50 0.00 0.00 46.19 45.12 2far s LEU 676 CO 0.10 0.28 1.32 -2.65 -1.32 0.00 0.00 176.35 174.08 2far n PRO 677 N 2.80 2.18 -0.20 0.98 -0.02 -1.26 -4.89 135.00 134.60 2far n PRO 677 Ca -0.18 0.77 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 2far n PRO 677 Cb 0.53 -2.40 0.41 0.00 -0.02 0.00 0.00 33.50 32.01 2far n PRO 677 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2far h TRP 678 N 2.51 0.69 -0.47 6.00 2.91 -1.98 -0.16 115.95 125.45 2far h TRP 678 Ca -0.47 0.02 0.14 0.00 1.13 0.00 0.00 58.89 59.70 2far h TRP 678 Cb 1.28 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.69 2far h TRP 678 CO 0.50 0.31 0.34 -0.22 -1.03 0.00 0.00 178.44 178.34 2far h LYS 679 N 0.63 0.00 -0.65 2.65 3.64 -1.96 0.41 116.57 121.28 2far h LYS 679 Ca 0.36 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2far h LYS 679 Cb 0.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2far h LYS 679 CO -0.14 0.00 0.17 0.00 -2.27 0.00 0.00 179.45 177.21 2far h ARG 680 N 0.00 1.02 -0.51 1.90 2.47 -1.37 -1.34 114.38 116.55 2far h ARG 680 Ca 0.22 -0.23 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2far h ARG 680 Cb 0.90 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 2far h ARG 680 CO -0.00 0.90 -0.12 1.98 0.56 0.00 0.00 179.97 183.28 2far h MET 681 N 0.97 0.97 -0.23 0.04 4.05 -1.01 -1.05 114.93 118.67 2far h MET 681 Ca 0.21 -0.36 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 2far h MET 681 Cb 0.33 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2far h MET 681 CO -0.00 1.02 0.04 -0.07 0.23 0.00 0.00 176.91 178.13 2far h LEU 682 N 0.86 0.37 -0.94 3.39 3.38 -1.17 0.09 115.31 121.28 2far h LEU 682 Ca 0.13 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2far h LEU 682 Cb 0.67 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2far h LEU 682 CO 0.05 0.53 0.09 -0.33 0.09 0.00 0.00 178.44 178.87 2far h GLU 683 N 0.19 0.87 -0.31 1.13 5.08 -1.18 -0.97 114.58 119.39 2far h GLU 683 Ca 0.07 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 2far h GLU 683 Cb 0.31 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2far h GLU 683 CO 0.00 0.81 -0.33 0.00 -1.00 0.00 0.00 179.01 178.49 2far h ALA 684 N 1.27 0.84 -0.34 3.43 0.00 -1.01 -1.70 119.26 121.76 2far h ALA 684 Ca 0.17 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2far h ALA 684 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2far h ALA 684 CO 0.01 0.64 -0.27 1.15 0.00 0.00 0.00 179.25 180.78 2far h THR 685 N 0.57 1.29 -0.60 0.00 2.02 -0.62 -1.54 112.91 114.02 2far h THR 685 Ca 0.06 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.82 2far h THR 685 Cb 0.84 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 2far h THR 685 CO 0.07 0.47 0.39 1.56 0.37 0.00 0.00 175.52 178.38 2far h GLN 686 N 0.56 0.79 -0.40 6.66 1.08 -1.07 -1.29 115.11 121.44 2far h GLN 686 Ca 0.06 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2far h GLN 686 Cb 0.84 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2far h GLN 686 CO 0.07 0.53 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.33 2far h LEU 687 N 0.81 0.66 -0.41 1.46 3.38 -1.20 -1.58 115.31 118.44 2far h LEU 687 Ca 0.22 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2far h LEU 687 Cb -0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2far h LEU 687 CO -0.05 0.79 -0.09 0.28 0.09 0.00 0.00 178.44 179.47 2far h SER 688 N 0.63 0.79 -0.39 -0.43 0.02 -0.91 -2.47 113.55 110.79 2far h SER 688 Ca 0.11 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2far h SER 688 Cb 0.52 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2far h SER 688 CO 0.03 0.96 0.02 -0.07 -1.14 0.00 0.00 176.83 176.64 2far h LEU 689 N 0.60 0.72 -0.90 5.07 3.38 -1.03 -1.80 115.31 121.35 2far h LEU 689 Ca 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2far h LEU 689 Cb 0.61 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2far h LEU 689 CO 0.04 0.78 0.35 0.74 0.09 0.00 0.00 178.44 180.43 2far h THR 690 N 0.72 1.25 -0.14 0.22 2.02 -1.09 -0.26 112.91 115.63 2far h THR 690 Ca 0.15 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2far h THR 690 Cb 0.40 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2far h THR 690 CO 0.01 0.31 0.00 0.25 0.37 0.00 0.00 175.52 176.47 2far h LEU 691 N 1.12 0.23 -1.16 2.58 5.85 -1.06 -2.39 115.31 120.48 2far h LEU 691 Ca 0.27 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.76 2far h LEU 691 Cb 0.16 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2far h LEU 691 CO -0.03 0.48 0.59 -0.07 -0.34 0.00 0.00 178.44 179.06 2far h LEU 692 N -0.02 0.87 -0.74 2.25 3.38 -0.96 -1.04 115.31 119.05 2far h LEU 692 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2far h LEU 692 Cb 0.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2far h LEU 692 CO 0.01 0.54 0.34 0.44 0.09 0.00 0.00 178.44 179.86 2far h ASP 693 N 0.98 0.98 -0.25 -0.43 3.32 -0.82 -0.62 116.42 119.58 2far h ASP 693 Ca 0.40 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 2far h ASP 693 Cb 0.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2far h ASP 693 CO -0.16 0.85 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.87 2far h GLU 694 N 1.04 0.56 0.00 3.56 5.08 -0.72 -1.53 114.58 122.58 2far h GLU 694 Ca 0.25 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2far h GLU 694 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2far h GLU 694 CO -0.03 0.60 0.00 1.28 -1.00 0.00 0.00 179.01 179.86 2far n LEU 695 N -4.26 0.67 0.00 1.33 4.77 -0.60 -4.90 117.00 114.02 2far n LEU 695 Ca 0.02 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2far n LEU 695 Cb 0.26 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2far n LEU 695 CO 0.39 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2far n GLY 696 N 0.69 0.51 3.47 -0.72 0.00 -0.57 -4.82 105.19 103.74 2far n GLY 696 Ca 0.04 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 2far n GLY 696 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2far s LEU 697 N 0.00 3.10 0.11 0.99 1.43 -0.33 -5.02 118.68 118.96 2far s LEU 697 Ca 0.00 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 2far s LEU 697 Cb 0.00 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 2far s LEU 697 CO 0.00 0.18 0.91 -0.60 0.23 0.00 0.00 176.35 177.08 2far s ARG 698 N 0.28 4.67 0.07 1.70 6.06 -1.26 -4.21 118.95 126.26 2far s ARG 698 Ca -0.05 1.37 0.08 0.00 -2.50 0.00 0.00 55.73 54.63 2far s ARG 698 Cb -0.14 -3.36 -0.03 0.00 0.06 0.00 0.00 34.95 31.47 2far s ARG 698 CO 0.04 0.27 -0.21 0.00 -2.50 0.00 0.00 175.30 172.90 2far s ALA 699 N -0.16 1.80 -0.17 6.12 0.00 -1.26 -4.41 121.76 123.67 2far s ALA 699 Ca 0.44 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2far s ALA 699 Cb -0.23 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2far s ALA 699 CO 0.29 0.38 -0.19 -0.06 0.00 0.00 0.00 175.76 176.18 2far s PHE 700 N -0.98 2.62 0.12 0.00 0.08 -0.00 -4.95 117.98 114.87 2far s PHE 700 Ca 0.07 -1.52 -0.10 0.00 0.12 0.00 0.00 56.93 55.50 2far s PHE 700 Cb -0.09 -1.83 -0.06 0.00 -0.57 0.00 0.00 43.02 40.46 2far s PHE 700 CO 0.03 -0.76 0.45 -0.51 -0.10 0.00 0.00 175.22 174.33 2far s LEU 701 N 1.30 4.31 -0.11 -0.37 1.43 -1.26 -0.87 118.68 123.12 2far s LEU 701 Ca 0.04 0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 2far s LEU 701 Cb -0.13 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 42.97 2far s LEU 701 CO -0.12 0.11 0.54 -1.59 0.23 0.00 0.00 176.35 175.52 2far s LYS 702 N -2.12 0.79 0.59 1.70 -2.85 -0.78 -1.18 119.74 115.89 2far s LYS 702 Ca 0.37 0.36 -0.17 0.00 -1.00 0.00 0.00 55.97 55.52 2far s LYS 702 Cb -0.14 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 2far s LYS 702 CO 0.19 -0.19 1.10 0.95 0.10 0.00 0.00 175.35 177.50 2far s THR 703 N -0.61 3.40 -0.27 3.79 -4.23 -0.13 -0.98 115.64 116.61 2far s THR 703 Ca -0.07 0.75 0.20 0.00 -1.18 0.00 0.00 61.69 61.39 2far s THR 703 Cb -0.03 -3.26 0.10 0.00 1.34 0.00 0.00 72.50 70.65 2far s THR 703 CO 0.05 -0.30 1.28 0.77 -0.54 0.00 0.00 174.62 175.87 2far h SER 704 N 0.69 0.00 0.00 3.99 4.64 -1.56 -2.98 113.55 118.33 2far h SER 704 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2far h SER 704 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2far h SER 704 CO 0.56 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 2far n GLY 705 N 1.20 0.86 0.00 -0.77 0.00 -0.79 -4.30 105.19 101.39 2far n GLY 705 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2far n GLY 705 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2far n GLY 706 N -2.00 0.51 0.00 -0.02 0.00 -1.25 -4.34 105.19 98.09 2far n GLY 706 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2far n GLY 706 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2far n LYS 707 N 0.00 1.06 -2.48 1.61 5.02 -1.26 -4.03 118.16 118.08 2far n LYS 707 Ca 0.00 -0.17 -0.04 0.00 -2.02 0.00 0.00 58.31 56.07 2far n LYS 707 Cb 0.00 -0.59 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 2far n LYS 707 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2far n GLY 708 N 0.20 3.82 3.64 0.72 0.00 -1.26 -4.74 105.19 107.57 2far n GLY 708 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 2far n GLY 708 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2far s MET 709 N -2.29 2.35 -0.07 1.61 -1.94 -1.25 -1.98 119.30 115.72 2far s MET 709 Ca 0.08 -1.01 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 2far s MET 709 Cb 0.00 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.44 2far s MET 709 CO 0.05 0.50 -0.17 -1.01 -0.01 0.00 0.00 175.02 174.38 2far s HIS 710 N -1.44 2.65 -0.22 -0.03 3.76 -0.15 -1.92 115.29 117.94 2far s HIS 710 Ca 0.25 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2far s HIS 710 Cb -0.11 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 31.95 2far s HIS 710 CO 0.17 -0.03 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.38 2far s LEU 711 N -0.31 2.74 -0.20 0.89 1.43 -0.09 -1.86 118.68 121.29 2far s LEU 711 Ca 0.02 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 2far s LEU 711 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2far s LEU 711 CO 0.03 -0.08 0.06 -0.76 0.23 0.00 0.00 176.35 175.82 2far s LEU 712 N 1.24 3.71 -0.28 1.79 1.02 -0.05 -1.11 118.68 125.00 2far s LEU 712 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 54.13 54.18 2far s LEU 712 Cb -0.16 -1.95 0.07 0.00 0.02 0.00 0.00 46.19 44.17 2far s LEU 712 CO -0.09 0.12 -0.05 -0.69 0.02 0.00 0.00 176.35 175.66 2far s VAL 713 N 0.67 2.09 0.63 -1.59 1.01 -0.49 -0.82 120.40 121.90 2far s VAL 713 Ca 0.03 -1.78 -0.16 0.00 0.00 0.00 0.00 61.98 60.07 2far s VAL 713 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2far s VAL 713 CO 0.02 -0.21 1.13 -2.16 0.00 0.00 0.00 175.10 173.87 2far s PRO 714 N 1.09 2.89 -0.03 2.72 0.04 -1.26 -1.37 135.00 139.08 2far s PRO 714 Ca -0.03 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 2far s PRO 714 Cb -0.20 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2far s PRO 714 CO -0.06 -1.19 0.17 -0.51 0.04 0.00 0.00 177.00 175.44 2far s LEU 715 N -4.58 1.39 0.46 -3.56 1.43 -0.29 -4.64 118.68 108.89 2far s LEU 715 Ca 0.69 0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 2far s LEU 715 Cb -0.22 0.69 -0.07 0.00 0.03 0.00 0.00 46.19 46.62 2far s LEU 715 CO 0.38 -0.24 1.22 -1.61 0.23 0.00 0.00 176.35 176.33 2far s GLU 716 N -0.71 3.72 -0.90 1.70 2.02 0.44 -4.29 118.70 120.68 2far s GLU 716 Ca -0.08 1.91 -0.21 0.00 0.02 0.00 0.00 54.97 56.61 2far s GLU 716 Cb -0.05 -2.46 -0.12 0.00 0.10 0.00 0.00 34.13 31.60 2far s GLU 716 CO 0.01 -0.62 1.96 0.54 0.02 0.00 0.00 175.26 177.17 2far n ARG 717 N -0.42 1.71 0.00 1.61 1.74 -1.26 -4.25 116.66 115.79 2far n ARG 717 Ca 0.07 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 2far n ARG 717 Cb 0.47 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 28.85 2far n ARG 717 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2far n ARG 718 N 7.06 -0.57 -4.25 5.56 1.74 -1.26 -5.00 116.66 119.94 2far n ARG 718 Ca 0.49 -0.44 -0.20 0.00 -0.77 0.00 0.00 57.85 56.93 2far n ARG 718 Cb 0.41 -0.88 -0.12 0.00 -1.02 0.00 0.00 32.46 30.85 2far n ARG 718 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2far s HIS 719 N -0.05 1.54 0.81 -1.55 3.76 -1.26 -5.11 115.29 113.43 2far s HIS 719 Ca 0.00 -0.48 -0.10 0.00 -0.15 0.00 0.00 55.06 54.34 2far s HIS 719 Cb 0.00 -0.82 0.12 0.00 1.11 0.00 0.00 32.58 32.99 2far s HIS 719 CO 0.00 0.17 1.14 0.20 -0.85 0.00 0.00 174.74 175.40 2far s GLY 720 N -2.17 1.71 0.12 -2.22 0.00 -1.26 -3.77 107.32 99.74 2far s GLY 720 Ca 0.07 -1.10 -0.20 0.00 0.00 0.00 0.00 44.72 43.49 2far s GLY 720 CO 0.04 -0.54 1.73 1.49 0.00 0.00 0.00 173.10 175.82 2far h TRP 721 N -0.99 0.04 -0.76 1.90 4.06 -1.96 -2.53 115.95 115.70 2far h TRP 721 Ca -0.43 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2far h TRP 721 Cb 1.28 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.42 2far h TRP 721 CO -0.22 0.01 0.48 -0.44 -3.56 0.00 0.00 178.44 174.70 2far h ASP 722 N 0.10 0.90 -0.56 -3.49 3.32 -1.94 -1.66 116.42 113.09 2far h ASP 722 Ca 0.09 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2far h ASP 722 Cb 0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2far h ASP 722 CO -0.12 0.67 0.36 -0.08 -1.72 0.00 0.00 179.24 178.35 2far h GLU 723 N 1.04 0.71 -0.27 3.56 4.81 -1.89 -0.36 114.58 122.18 2far h GLU 723 Ca 0.28 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2far h GLU 723 Cb -0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2far h GLU 723 CO -0.06 0.47 -0.11 0.28 -0.73 0.00 0.00 179.01 178.87 2far h VAL 724 N 0.73 1.29 -0.61 0.32 2.07 -1.22 -2.15 116.25 116.68 2far h VAL 724 Ca 0.21 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2far h VAL 724 Cb -0.06 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2far h VAL 724 CO -0.06 0.37 0.36 0.50 0.02 0.00 0.00 177.57 178.76 2far h LYS 725 N 0.29 0.84 -0.52 1.57 3.64 -1.12 -0.74 116.57 120.53 2far h LYS 725 Ca 0.06 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2far h LYS 725 Cb 0.61 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2far h LYS 725 CO 0.03 0.61 0.17 -0.44 -2.27 0.00 0.00 179.45 177.56 2far h ASP 726 N 0.83 0.70 -0.38 4.20 3.32 -1.01 0.45 116.42 124.52 2far h ASP 726 Ca 0.22 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 2far h ASP 726 Cb 0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2far h ASP 726 CO -0.04 0.66 0.01 0.15 -1.72 0.00 0.00 179.24 178.30 2far h PHE 727 N 0.75 0.72 -0.71 4.55 3.57 -0.83 0.70 116.94 125.69 2far h PHE 727 Ca 0.17 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2far h PHE 727 Cb 0.21 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2far h PHE 727 CO 0.01 0.75 0.27 0.00 -2.23 0.00 0.00 178.31 177.11 2far h ALA 728 N 0.88 0.92 -0.62 2.41 0.00 -0.62 -1.97 119.26 120.25 2far h ALA 728 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2far h ALA 728 Cb 0.46 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2far h ALA 728 CO 0.02 0.55 0.11 0.37 0.00 0.00 0.00 179.25 180.30 2far h GLN 729 N 1.01 1.01 -0.60 0.00 4.15 -0.69 -2.18 115.11 117.81 2far h GLN 729 Ca 0.23 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2far h GLN 729 Cb 0.23 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2far h GLN 729 CO -0.02 0.93 0.38 0.00 -1.93 0.00 0.00 178.83 178.19 2far h ALA 730 N 1.16 1.54 -0.26 3.38 0.00 -0.30 -0.34 119.26 124.44 2far h ALA 730 Ca 0.19 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2far h ALA 730 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2far h ALA 730 CO 0.01 0.41 -0.16 0.82 0.00 0.00 0.00 179.25 180.33 2far h ILE 731 N 0.82 1.30 -0.26 0.00 2.04 -0.97 -0.99 117.51 119.46 2far h ILE 731 Ca 0.22 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 2far h ILE 731 Cb -0.07 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2far h ILE 731 CO -0.04 0.40 0.16 -1.28 0.00 0.00 0.00 178.15 177.38 2far h SER 732 N 0.30 0.32 -0.34 1.72 0.87 -0.78 -1.76 113.55 113.88 2far h SER 732 Ca 0.05 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2far h SER 732 Cb 0.69 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2far h SER 732 CO 0.05 0.27 -0.04 1.56 -0.53 0.00 0.00 176.83 178.14 2far h GLN 733 N 0.33 0.73 -0.44 2.24 4.20 -1.07 -1.52 115.11 119.58 2far h GLN 733 Ca 0.09 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2far h GLN 733 Cb 0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2far h GLN 733 CO -0.02 0.77 0.26 1.25 -0.67 0.00 0.00 178.83 180.42 2far h HIS 734 N 0.68 0.58 -0.44 2.96 2.76 -0.88 -0.21 115.15 120.60 2far h HIS 734 Ca 0.13 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 2far h HIS 734 Cb 0.48 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 2far h HIS 734 CO 0.02 0.41 -0.07 -0.07 -1.30 0.00 0.00 177.93 176.92 2far h LEU 735 N 0.58 0.74 -1.04 0.26 3.38 -1.02 -1.62 115.31 116.58 2far h LEU 735 Ca 0.16 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2far h LEU 735 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2far h LEU 735 CO -0.03 0.85 -0.39 0.00 0.09 0.00 0.00 178.44 178.97 2far h ALA 736 N 1.22 1.20 0.01 1.53 0.00 -0.82 -1.74 119.26 120.66 2far h ALA 736 Ca 0.12 -0.39 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 2far h ALA 736 Cb 0.53 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2far h ALA 736 CO 0.03 0.55 -1.01 0.00 0.00 0.00 0.00 179.25 178.82 2far h ARG 737 N 0.15 0.66 -0.32 0.00 3.08 -0.73 -2.30 114.38 114.92 2far h ARG 737 Ca 0.02 -0.73 -0.07 0.00 0.07 0.00 0.00 59.98 59.27 2far h ARG 737 Cb 0.76 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2far h ARG 737 CO 0.06 1.31 -0.07 -0.07 -1.07 0.00 0.00 179.97 180.12 2far h LEU 738 N 0.32 0.62 -6.34 3.04 3.38 -1.21 -3.38 115.31 111.75 2far h LEU 738 Ca -0.13 -0.36 -0.59 0.00 0.09 0.00 0.00 57.88 56.89 2far h LEU 738 Cb 1.67 -0.17 -0.39 0.00 0.09 0.00 0.00 40.66 41.86 2far h LEU 738 CO 0.20 0.84 -0.91 0.23 0.09 0.00 0.00 178.44 178.89 2far n MET 739 N -4.45 0.89 0.26 1.13 2.81 -0.66 -4.95 117.12 112.14 2far n MET 739 Ca -0.03 -3.58 0.18 0.00 -1.81 0.00 0.00 57.70 52.47 2far n MET 739 Cb 0.33 -1.69 0.90 0.00 -0.71 0.00 0.00 33.22 32.05 2far n MET 739 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2far h PRO 740 N 4.89 0.00 0.00 0.03 0.13 -1.60 -0.45 132.00 135.00 2far h PRO 740 Ca 0.18 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2far h PRO 740 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 2far h PRO 740 CO 0.51 0.00 -0.26 1.05 -0.23 0.00 0.00 178.00 179.07 2far h GLU 741 N 0.00 0.00 0.00 0.86 9.09 -1.93 -3.37 114.58 119.23 2far h GLU 741 Ca 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.12 2far h GLU 741 Cb 0.08 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.13 2far h GLU 741 CO 0.00 0.26 -2.04 0.54 0.05 0.00 0.00 179.01 177.82 2far n ARG 742 N -3.21 0.44 -4.15 1.06 1.74 -0.46 -4.75 116.66 107.33 2far n ARG 742 Ca 0.02 0.13 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 2far n ARG 742 Cb 0.58 -1.31 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 2far n ARG 742 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2far s PHE 743 N -2.36 2.96 -0.01 -1.55 0.08 -0.31 -0.90 117.98 115.90 2far s PHE 743 Ca -0.25 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 56.75 2far s PHE 743 Cb 0.07 -1.47 -0.00 0.00 -0.57 0.00 0.00 43.02 41.05 2far s PHE 743 CO 0.39 0.50 -0.06 0.45 -0.10 0.00 0.00 175.22 176.40 2far s SER 744 N -2.69 0.71 -0.02 1.36 0.15 -0.56 -4.53 113.70 108.12 2far s SER 744 Ca 0.27 -0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.92 2far s SER 744 Cb -0.10 -0.09 0.30 0.00 -1.71 0.00 0.00 66.02 64.41 2far s SER 744 CO 0.19 0.07 1.24 0.00 1.20 0.00 0.00 173.24 175.95 2far n ALA 745 N 2.96 2.26 -3.17 5.45 0.00 -1.26 -2.14 120.51 124.60 2far n ALA 745 Ca -0.13 -1.30 -0.33 0.00 0.00 0.00 0.00 53.44 51.68 2far n ALA 745 Cb 0.58 -0.41 -0.15 0.00 0.00 0.00 0.00 19.45 19.47 2far n ALA 745 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2far s VAL 746 N -1.26 2.93 0.88 0.00 1.01 -1.26 -4.90 120.40 117.81 2far s VAL 746 Ca 0.23 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2far s VAL 746 Cb 0.14 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.41 2far s VAL 746 CO 0.13 0.52 1.10 -0.94 0.00 0.00 0.00 175.10 175.91 2far s SER 747 N 0.48 3.42 0.00 3.32 1.04 -1.26 -4.71 113.70 115.99 2far s SER 747 Ca -0.10 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2far s SER 747 Cb -0.16 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2far s SER 747 CO 0.05 -2.72 0.00 0.61 0.98 0.00 0.00 173.24 172.15 2far n GLY 748 N -0.54 1.81 0.36 7.32 0.00 -1.26 -4.57 105.19 108.31 2far n GLY 748 Ca 0.09 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.85 2far n GLY 748 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2far h PRO 749 N 0.00 0.83 0.00 1.61 0.11 -1.96 0.21 132.00 132.79 2far h PRO 749 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2far h PRO 749 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 2far h PRO 749 CO 0.00 0.55 0.00 0.54 -0.21 0.00 0.00 178.00 178.88 2far n ARG 750 N -4.64 0.08 -0.51 1.05 1.74 -1.26 -1.52 116.66 111.60 2far n ARG 750 Ca 0.20 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.82 2far n ARG 750 Cb 0.45 -1.70 0.30 0.00 -1.02 0.00 0.00 32.46 30.48 2far n ARG 750 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2far n ASN 751 N -1.86 4.26 -1.33 0.55 5.03 0.72 -4.44 115.26 118.18 2far n ASN 751 Ca 0.01 -2.57 -0.01 0.00 0.87 0.00 0.00 54.58 52.88 2far n ASN 751 Cb 0.10 -0.51 -0.02 0.00 -1.02 0.00 0.00 39.78 38.33 2far n ASN 751 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2far n ARG 752 N 0.50 0.06 -1.75 3.52 1.85 -0.57 -4.72 116.66 115.55 2far n ARG 752 Ca 0.22 -1.58 -0.42 0.00 -1.00 0.00 0.00 57.85 55.07 2far n ARG 752 Cb 0.83 0.19 -0.03 0.00 -1.05 0.00 0.00 32.46 32.40 2far n ARG 752 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2far s VAL 753 N -0.08 3.14 -0.82 8.89 1.01 -1.19 -0.95 120.40 130.40 2far s VAL 753 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2far s VAL 753 Cb 0.22 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2far s VAL 753 CO -0.09 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2far n GLY 754 N 4.44 0.95 3.03 4.51 0.00 -1.26 -4.98 105.19 111.88 2far n GLY 754 Ca 0.19 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2far n GLY 754 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2far n LYS 755 N -2.31 0.40 -5.00 1.61 5.02 -0.13 -4.89 118.16 112.87 2far n LYS 755 Ca -0.08 -3.15 -0.31 0.00 -2.02 0.00 0.00 58.31 52.75 2far n LYS 755 Cb 0.31 2.50 -0.17 0.00 -0.02 0.00 0.00 35.03 37.66 2far n LYS 755 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2far s ILE 756 N -3.25 1.95 -0.28 -0.18 1.01 -0.08 -1.60 121.20 118.78 2far s ILE 756 Ca 0.36 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 2far s ILE 756 Cb 0.02 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 2far s ILE 756 CO 0.25 0.53 0.48 0.12 0.00 0.00 0.00 174.94 176.33 2far s PHE 757 N 0.52 3.25 -1.02 3.97 5.36 0.15 -1.49 117.98 128.71 2far s PHE 757 Ca -0.15 0.51 -0.22 0.00 -0.96 0.00 0.00 56.93 56.11 2far s PHE 757 Cb -0.17 -2.72 0.07 0.00 -0.34 0.00 0.00 43.02 39.86 2far s PHE 757 CO 0.05 -0.31 1.40 0.08 -1.46 0.00 0.00 175.22 174.98 2far s VAL 758 N 2.26 4.11 0.01 3.12 1.01 -0.91 -1.07 120.40 128.93 2far s VAL 758 Ca 0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 2far s VAL 758 Cb -0.16 -5.01 -0.07 0.00 0.00 0.00 0.00 36.38 31.15 2far s VAL 758 CO 0.10 -1.85 1.59 -0.62 0.00 0.00 0.00 175.10 174.32 2far s ASP 759 N 4.64 6.69 0.00 3.32 -1.08 0.37 -4.79 116.67 125.82 2far s ASP 759 Ca 0.44 2.30 0.03 0.00 -0.52 0.00 0.00 52.55 54.80 2far s ASP 759 Cb -0.01 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2far s ASP 759 CO -0.09 -0.86 0.43 0.00 0.52 0.00 0.00 175.17 175.17 2far n TYR 760 N 6.07 0.00 0.31 -5.34 0.18 -1.26 -1.64 117.16 115.48 2far n TYR 760 Ca 0.16 0.00 0.20 0.00 1.88 0.00 0.00 57.90 60.13 2far n TYR 760 Cb 0.42 0.00 0.95 0.00 -0.38 0.00 0.00 39.34 40.33 2far n TYR 760 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2far h LEU 761 N 0.41 0.00 0.00 -3.48 3.38 -1.89 -2.38 115.31 111.35 2far h LEU 761 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2far h LEU 761 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2far h LEU 761 CO 0.00 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.08 2far n ARG 762 N -3.14 0.29 -0.31 1.13 5.12 -1.26 -2.55 116.66 115.94 2far n ARG 762 Ca -0.01 0.11 0.07 0.00 -1.93 0.00 0.00 57.85 56.09 2far n ARG 762 Cb 0.18 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.21 2far n ARG 762 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2far n ASN 763 N -1.21 2.89 -4.82 0.55 3.02 -0.90 -4.25 115.26 110.54 2far n ASN 763 Ca 0.08 -2.10 -0.33 0.00 -0.03 0.00 0.00 54.58 52.20 2far n ASN 763 Cb 0.10 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 2far n ASN 763 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2far s SER 764 N -0.92 6.80 0.15 6.41 0.01 -1.06 -4.57 113.70 120.52 2far s SER 764 Ca 0.34 1.74 -0.31 0.00 1.31 0.00 0.00 55.95 59.02 2far s SER 764 Cb 0.19 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.78 2far s SER 764 CO 0.21 -0.46 1.62 -0.60 0.41 0.00 0.00 173.24 174.42 2far s ARG 765 N -3.22 4.20 0.00 12.44 3.52 -1.26 -1.48 118.95 133.14 2far s ARG 765 Ca 0.63 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.63 2far s ARG 765 Cb -0.11 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2far s ARG 765 CO 0.15 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.38 2far n GLY 766 N 3.86 3.30 3.86 8.12 0.00 -1.26 -5.05 105.19 118.02 2far n GLY 766 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2far n GLY 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2far s ALA 767 N -2.88 2.32 0.25 4.61 0.00 -0.55 -5.00 121.76 120.50 2far s ALA 767 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 2far s ALA 767 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2far s ALA 767 CO 0.00 -1.92 0.51 -1.54 0.00 0.00 0.00 175.76 172.81 2far s SER 768 N -4.38 -0.12 -0.00 0.00 1.04 -1.26 -4.32 113.70 104.66 2far s SER 768 Ca 0.63 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2far s SER 768 Cb -0.12 0.60 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 2far s SER 768 CO 0.51 -1.15 -0.04 -0.89 0.98 0.00 0.00 173.24 172.64 2far s THR 769 N -4.00 0.31 0.20 2.02 2.01 -0.73 -4.87 115.64 110.59 2far s THR 769 Ca 0.20 -0.16 -0.32 0.00 0.31 0.00 0.00 61.69 61.71 2far s THR 769 Cb -0.01 -0.27 -0.15 0.00 0.01 0.00 0.00 72.50 72.08 2far s THR 769 CO 0.08 0.09 1.30 0.55 -0.69 0.00 0.00 174.62 175.95 2far n VAL 770 N 3.03 0.82 -2.42 3.82 3.14 -1.26 -1.80 118.33 123.66 2far n VAL 770 Ca -0.13 -0.21 -0.37 0.00 -2.96 0.00 0.00 64.34 60.67 2far n VAL 770 Cb 0.58 -1.14 -0.03 0.00 -1.06 0.00 0.00 33.84 32.19 2far n VAL 770 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2far s ALA 771 N -0.04 3.09 0.32 1.55 0.00 -0.58 -4.86 121.76 121.25 2far s ALA 771 Ca 0.72 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 2far s ALA 771 Cb -0.76 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 18.92 2far s ALA 771 CO 0.50 -0.38 1.45 0.00 0.00 0.00 0.00 175.76 177.33 2far n ALA 772 N -0.06 1.94 -0.95 0.00 0.00 -1.26 -1.34 120.51 118.84 2far n ALA 772 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2far n ALA 772 Cb 0.48 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2far n ALA 772 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2far n TYR 773 N 1.10 0.00 -3.24 0.00 4.01 0.18 -4.56 117.16 114.65 2far n TYR 773 Ca 0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 2far n TYR 773 Cb 0.36 -0.64 -0.04 0.00 -0.31 0.00 0.00 39.34 38.72 2far n TYR 773 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2far s SER 774 N -2.18 6.52 0.36 7.72 1.04 -0.45 -4.80 113.70 121.91 2far s SER 774 Ca 0.00 0.87 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 2far s SER 774 Cb 0.00 -2.21 -0.09 0.00 0.10 0.00 0.00 66.02 63.82 2far s SER 774 CO 0.00 -0.21 0.80 -0.69 0.98 0.00 0.00 173.24 174.12 2far s VAL 775 N -2.08 4.61 -0.10 5.02 1.01 -1.26 -1.88 120.40 125.72 2far s VAL 775 Ca 0.47 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 2far s VAL 775 Cb -0.11 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2far s VAL 775 CO 0.28 -0.25 0.01 -0.13 0.00 0.00 0.00 175.10 175.01 2far s ARG 776 N -3.10 3.11 -1.53 2.72 1.81 0.22 -4.22 118.95 117.96 2far s ARG 776 Ca 0.56 -0.40 -0.12 0.00 -1.72 0.00 0.00 55.73 54.06 2far s ARG 776 Cb -0.10 -2.85 -0.01 0.00 -0.45 0.00 0.00 34.95 31.54 2far s ARG 776 CO 0.17 0.65 2.57 0.00 -0.68 0.00 0.00 175.30 178.02 2far n ALA 777 N 2.31 6.56 -2.16 2.13 0.00 -1.26 -4.13 120.51 123.96 2far n ALA 777 Ca -0.18 -3.74 -0.10 0.00 0.00 0.00 0.00 53.44 49.42 2far n ALA 777 Cb 0.54 -3.41 -0.10 0.00 0.00 0.00 0.00 19.45 16.48 2far n ALA 777 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2far s ARG 778 N 2.42 0.92 0.12 0.00 0.52 -1.26 -4.88 118.95 116.78 2far s ARG 778 Ca 0.58 -1.43 -0.35 0.00 -0.52 0.00 0.00 55.73 54.01 2far s ARG 778 Cb 0.16 0.15 -0.16 0.00 0.52 0.00 0.00 34.95 35.62 2far s ARG 778 CO -0.07 -0.22 1.36 -1.91 0.02 0.00 0.00 175.30 174.48 2far n GLU 779 N -0.09 1.35 -0.55 3.54 2.13 -1.26 -0.79 120.64 124.97 2far n GLU 779 Ca -0.07 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2far n GLU 779 Cb 0.63 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2far n GLU 779 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2far n GLY 780 N 2.59 1.27 3.82 8.31 0.00 -1.26 -4.36 105.19 115.57 2far n GLY 780 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2far n GLY 780 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2far n LEU 781 N 0.00 -1.89 -4.76 0.99 4.77 0.03 -4.50 117.00 111.64 2far n LEU 781 Ca 0.00 -1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 54.57 2far n LEU 781 Cb 0.00 -2.07 0.10 0.00 -2.33 0.00 0.00 43.42 39.12 2far n LEU 781 CO 0.00 0.56 0.70 -2.16 -1.33 0.00 0.00 177.39 175.16 2far s PRO 782 N -6.39 2.18 0.13 3.23 0.04 -1.26 -1.56 135.00 131.38 2far s PRO 782 Ca 0.44 1.22 0.11 0.00 0.04 0.00 0.00 61.00 62.80 2far s PRO 782 Cb -0.19 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2far s PRO 782 CO 0.90 -1.71 -0.26 0.08 0.04 0.00 0.00 177.00 176.06 2far s VAL 783 N -2.85 2.32 -0.37 -0.36 1.01 -0.15 -0.61 120.40 119.39 2far s VAL 783 Ca 0.62 -1.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 2far s VAL 783 Cb -0.18 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2far s VAL 783 CO 0.55 0.08 0.89 -0.55 0.00 0.00 0.00 175.10 176.08 2far s SER 784 N -2.10 6.65 -0.15 3.32 0.15 -0.79 -4.12 113.70 116.67 2far s SER 784 Ca 0.15 0.54 0.01 0.00 0.70 0.00 0.00 55.95 57.34 2far s SER 784 Cb -0.10 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2far s SER 784 CO 0.07 -0.82 -0.17 -0.69 1.20 0.00 0.00 173.24 172.82 2far s VAL 785 N 3.38 2.49 0.30 4.45 1.01 -1.13 0.51 120.40 131.42 2far s VAL 785 Ca 0.37 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2far s VAL 785 Cb -0.12 -2.04 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 2far s VAL 785 CO 0.18 0.53 1.45 -2.84 0.00 0.00 0.00 175.10 174.42 2far s PRO 786 N 0.80 4.22 0.08 2.72 0.02 -1.26 -0.96 135.00 140.62 2far s PRO 786 Ca -0.06 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.38 2far s PRO 786 Cb -0.15 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 2far s PRO 786 CO -0.00 -0.44 -0.07 0.14 -0.33 0.00 0.00 177.00 176.29 2far s VAL 787 N -0.48 0.65 0.43 3.83 -7.23 -0.32 -4.84 120.40 112.44 2far s VAL 787 Ca 0.57 -1.60 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 2far s VAL 787 Cb -0.44 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 2far s VAL 787 CO 0.51 -0.68 1.02 -0.36 -0.31 0.00 0.00 175.10 175.28 2far s PHE 788 N -2.73 3.21 0.45 2.82 0.08 -1.26 -4.35 117.98 116.20 2far s PHE 788 Ca 0.03 1.63 0.18 0.00 0.12 0.00 0.00 56.93 58.89 2far s PHE 788 Cb -0.01 -3.05 1.13 0.00 -0.57 0.00 0.00 43.02 40.53 2far s PHE 788 CO -0.03 -0.55 2.02 -0.09 -0.10 0.00 0.00 175.22 176.47 2far h ARG 789 N 2.14 0.00 0.00 0.44 2.43 -1.96 -2.15 114.38 115.28 2far h ARG 789 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2far h ARG 789 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2far h ARG 789 CO 0.61 0.16 0.00 0.39 -1.51 0.00 0.00 179.97 179.62 2far n GLU 790 N -4.15 0.19 -0.07 0.20 4.71 -1.26 -2.60 120.64 117.66 2far n GLU 790 Ca -0.02 0.41 0.07 0.00 -0.01 0.00 0.00 57.16 57.60 2far n GLU 790 Cb 0.24 -1.86 0.10 0.00 -1.01 0.00 0.00 31.44 28.91 2far n GLU 790 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2far n GLU 791 N -2.22 1.57 0.08 3.49 0.28 -0.82 -4.64 120.64 118.38 2far n GLU 791 Ca 0.02 -1.61 -0.12 0.00 -0.16 0.00 0.00 57.16 55.29 2far n GLU 791 Cb 0.24 -1.29 -0.05 0.00 1.43 0.00 0.00 31.44 31.77 2far n GLU 791 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2far h LEU 792 N 2.62 -0.44 -0.07 -1.84 5.85 -1.44 -1.60 115.31 118.38 2far h LEU 792 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2far h LEU 792 Cb 0.64 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2far h LEU 792 CO 0.00 -0.22 0.00 0.47 -0.34 0.00 0.00 178.44 178.35 2far n ASP 793 N -5.28 0.04 -0.22 1.25 8.00 -1.26 -1.26 116.55 117.82 2far n ASP 793 Ca -0.06 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.08 2far n ASP 793 Cb 0.20 -0.52 0.21 0.00 -0.02 0.00 0.00 41.12 40.99 2far n ASP 793 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2far n SER 794 N -1.55 1.13 -4.79 -2.24 3.41 -0.61 -4.93 113.62 104.03 2far n SER 794 Ca 0.01 -0.90 -0.35 0.00 -0.26 0.00 0.00 58.87 57.37 2far n SER 794 Cb 0.08 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 2far n SER 794 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2far s LEU 795 N -2.66 3.91 0.00 1.04 1.43 -0.39 -4.97 118.68 117.05 2far s LEU 795 Ca 0.18 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.33 2far s LEU 795 Cb 0.18 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 2far s LEU 795 CO 0.61 -0.79 0.28 0.00 0.23 0.00 0.00 176.35 176.68 2far n GLN 796 N -0.77 3.50 -3.64 1.70 6.02 -1.26 -5.04 117.38 117.89 2far n GLN 796 Ca 0.08 -0.26 -0.03 0.00 -0.01 0.00 0.00 57.00 56.79 2far n GLN 796 Cb 0.51 -0.78 -0.03 0.00 1.02 0.00 0.00 30.24 30.97 2far n GLN 796 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2far s GLY 797 N -0.78 -0.08 0.35 1.08 0.00 -1.26 -4.98 107.32 101.64 2far s GLY 797 Ca 0.02 2.30 0.27 0.00 0.00 0.00 0.00 44.72 47.31 2far s GLY 797 CO 0.06 0.85 1.80 0.00 0.00 0.00 0.00 173.10 175.81 2far h ALA 798 N 2.04 1.00 -0.47 3.20 0.00 -1.85 -3.01 119.26 120.16 2far h ALA 798 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 2far h ALA 798 Cb 1.16 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.72 2far h ALA 798 CO 0.21 0.00 -0.46 0.27 0.00 0.00 0.00 179.25 179.27 2far n ASN 799 N -2.50 3.72 0.27 0.00 2.04 -1.26 -1.88 115.26 115.65 2far n ASN 799 Ca 0.02 -3.81 0.17 0.00 -0.44 0.00 0.00 54.58 50.52 2far n ASN 799 Cb 0.25 -0.50 0.70 0.00 -2.53 0.00 0.00 39.78 37.70 2far n ASN 799 CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 2far h GLN 800 N 1.59 0.00 -6.51 -3.83 3.07 -1.88 -3.43 115.11 104.12 2far h GLN 800 Ca 0.25 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 58.31 2far h GLN 800 Cb 1.36 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 28.71 2far h GLN 800 CO 0.53 0.00 -0.78 -1.58 0.09 0.00 0.00 178.83 177.09 2far s TRP 801 N -3.67 2.63 0.36 0.06 0.51 -1.26 -5.06 118.94 112.51 2far s TRP 801 Ca 0.01 -0.21 0.04 0.00 -2.12 0.00 0.00 56.10 53.81 2far s TRP 801 Cb 0.09 -1.49 -0.03 0.00 -0.81 0.00 0.00 33.47 31.22 2far s TRP 801 CO 0.52 0.27 0.13 0.54 -0.51 0.00 0.00 176.95 177.91 2far s ASN 802 N -1.43 2.26 0.61 2.95 2.20 -1.26 -0.98 114.94 119.28 2far s ASN 802 Ca 0.15 -1.59 0.32 0.00 -0.94 0.00 0.00 52.86 50.81 2far s ASN 802 Cb -0.11 0.37 1.91 0.00 -2.00 0.00 0.00 41.25 41.43 2far s ASN 802 CO 0.06 -0.87 2.24 0.17 -2.94 0.00 0.00 177.10 175.76 2far h LEU 803 N 2.00 0.00 0.00 3.54 -0.00 -1.51 -1.03 115.31 118.30 2far h LEU 803 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 2far h LEU 803 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.92 2far h LEU 803 CO 0.56 0.00 -1.22 0.54 -0.00 0.00 0.00 178.44 178.33 2far n ARG 804 N -3.66 0.62 0.00 0.17 1.74 -1.26 -4.11 116.66 110.16 2far n ARG 804 Ca -0.02 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2far n ARG 804 Cb 0.14 -1.77 0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2far n ARG 804 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2far n SER 805 N -2.62 0.71 -0.27 0.55 3.41 -0.61 -4.29 113.62 110.51 2far n SER 805 Ca -0.02 -0.55 0.01 0.00 -0.26 0.00 0.00 58.87 58.05 2far n SER 805 Cb 0.58 0.64 0.13 0.00 -0.26 0.00 0.00 64.21 65.29 2far n SER 805 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2far h LEU 806 N 0.00 0.65 -0.78 1.04 5.85 -1.38 -1.85 115.31 118.84 2far h LEU 806 Ca 0.00 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.88 2far h LEU 806 Cb 0.53 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2far h LEU 806 CO 0.00 0.40 0.38 -0.65 -0.34 0.00 0.00 178.44 178.24 2far h PRO 807 N 0.78 0.58 -0.55 5.25 0.11 -1.82 0.06 132.00 136.41 2far h PRO 807 Ca 0.35 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 2far h PRO 807 Cb 0.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2far h PRO 807 CO -0.21 0.38 -0.00 0.37 -0.21 0.00 0.00 178.00 178.34 2far h GLN 808 N 0.59 0.94 -0.03 1.05 4.15 -1.63 -0.85 115.11 119.32 2far h GLN 808 Ca 0.41 -0.28 0.01 0.00 0.77 0.00 0.00 58.65 59.57 2far h GLN 808 Cb 0.53 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2far h GLN 808 CO -0.33 0.93 -0.04 -0.09 -1.93 0.00 0.00 178.83 177.37 2far h ARG 809 N 0.87 -0.05 -0.30 1.69 9.65 -0.36 0.74 114.38 126.61 2far h ARG 809 Ca 0.16 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2far h ARG 809 Cb 0.51 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 2far h ARG 809 CO 0.03 -0.03 -0.01 -0.07 2.80 0.00 0.00 179.97 182.68 2far h LEU 810 N -0.05 0.42 -0.28 3.80 3.38 -0.85 -1.19 115.31 120.54 2far h LEU 810 Ca 0.03 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2far h LEU 810 Cb 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2far h LEU 810 CO -0.06 0.49 -0.44 0.44 0.09 0.00 0.00 178.44 178.96 2far h ASP 811 N 0.44 0.88 -0.73 -0.43 3.32 -0.66 -1.44 116.42 117.80 2far h ASP 811 Ca 0.10 -0.52 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 2far h ASP 811 Cb 0.30 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2far h ASP 811 CO 0.01 1.22 0.23 -0.33 -1.72 0.00 0.00 179.24 178.65 2far h GLU 812 N 0.56 1.13 -0.33 3.56 5.08 -0.47 -2.23 114.58 121.87 2far h GLU 812 Ca 0.03 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 2far h GLU 812 Cb 1.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2far h GLU 812 CO 0.10 0.96 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.88 2far h LEU 813 N 1.08 0.56 -2.84 1.33 3.38 -1.17 -3.47 115.31 114.16 2far h LEU 813 Ca 0.23 -0.15 -0.50 0.00 0.09 0.00 0.00 57.88 57.55 2far h LEU 813 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2far h LEU 813 CO -0.01 0.71 -0.94 0.00 0.09 0.00 0.00 178.44 178.29 2far n ALA 814 N -2.48 -2.35 0.00 1.53 0.00 -0.55 -1.81 120.51 114.85 2far n ALA 814 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2far n ALA 814 Cb 0.33 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2far n ALA 814 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2far n GLY 815 N -1.93 3.01 3.68 0.00 0.00 -1.26 -5.03 105.19 103.65 2far n GLY 815 Ca -0.19 -0.49 -0.48 0.00 0.00 0.00 0.00 46.02 44.86 2far n GLY 815 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2far n ASP 816 N 0.62 3.24 -4.20 1.61 8.00 -0.75 -4.95 116.55 120.12 2far n ASP 816 Ca 0.00 1.01 -0.35 0.00 0.71 0.00 0.00 54.79 56.16 2far n ASP 816 Cb 0.00 -1.37 -0.14 0.00 -0.02 0.00 0.00 41.12 39.59 2far n ASP 816 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2far s ASP 817 N 3.12 4.53 0.45 -2.24 2.15 -1.26 -4.87 116.67 118.55 2far s ASP 817 Ca 0.89 -0.98 0.19 0.00 0.43 0.00 0.00 52.55 53.08 2far s ASP 817 Cb -0.72 -1.69 1.15 0.00 -0.30 0.00 0.00 42.92 41.36 2far s ASP 817 CO 0.49 -0.17 1.93 -0.65 -0.17 0.00 0.00 175.17 176.60 2far h PRO 818 N 8.02 0.29 -0.58 4.34 0.11 -1.91 -1.47 132.00 140.80 2far h PRO 818 Ca -0.29 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.54 2far h PRO 818 Cb 1.09 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 31.98 2far h PRO 818 CO 0.56 0.19 0.19 0.91 -0.21 0.00 0.00 178.00 179.65 2far n TRP 819 N -4.45 1.83 -0.09 0.65 7.02 -1.26 -4.69 117.44 116.45 2far n TRP 819 Ca 0.14 -1.54 0.19 0.00 -1.02 0.00 0.00 57.50 55.27 2far n TRP 819 Cb 0.58 -0.63 0.62 0.00 -2.42 0.00 0.00 31.31 29.45 2far n TRP 819 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2far h ALA 820 N 1.32 2.39 -0.60 6.99 0.00 -1.69 -1.48 119.26 126.20 2far h ALA 820 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2far h ALA 820 Cb 2.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2far h ALA 820 CO 0.63 -0.58 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 2far n ASP 821 N -4.41 3.68 0.10 0.00 8.00 -1.26 -4.64 116.55 118.03 2far n ASP 821 Ca 0.13 -2.16 -0.04 0.00 0.71 0.00 0.00 54.79 53.43 2far n ASP 821 Cb 0.63 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 2far n ASP 821 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2far h TYR 822 N 3.60 -0.24 -0.77 1.24 3.20 -1.63 -2.88 116.97 119.48 2far h TYR 822 Ca 0.00 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.09 2far h TYR 822 Cb 1.02 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 2far h TYR 822 CO 0.52 -0.15 0.58 0.00 -1.64 0.00 0.00 178.16 177.47 2far h ALA 823 N -1.84 2.71 -0.00 1.82 0.00 -1.82 -0.12 119.26 120.01 2far h ALA 823 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2far h ALA 823 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2far h ALA 823 CO 0.04 -0.98 -0.25 0.41 0.00 0.00 0.00 179.25 178.48 2far n GLY 824 N -1.68 -0.93 3.73 0.00 0.00 -1.23 -4.90 105.19 100.18 2far n GLY 824 Ca 0.16 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2far n GLY 824 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2far s THR 825 N -2.64 3.54 -0.26 2.61 2.01 -0.06 -5.01 115.64 115.83 2far s THR 825 Ca 0.22 1.20 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 2far s THR 825 Cb 0.19 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 69.01 2far s THR 825 CO 0.55 0.15 0.03 -0.13 -0.69 0.00 0.00 174.62 174.53 2far s ARG 826 N 0.36 1.01 0.06 4.92 1.81 -1.26 -4.89 118.95 120.95 2far s ARG 826 Ca 0.57 -0.91 -0.12 0.00 -1.72 0.00 0.00 55.73 53.55 2far s ARG 826 Cb -0.34 -2.28 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 2far s ARG 826 CO 0.34 -0.77 0.27 1.14 -0.68 0.00 0.00 175.30 175.59 2far s GLN 827 N 1.58 0.82 0.19 3.54 -2.07 -1.26 -5.00 119.66 117.45 2far s GLN 827 Ca 0.02 -0.66 -0.03 0.00 -1.82 0.00 0.00 55.36 52.87 2far s GLN 827 Cb -0.18 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 2far s GLN 827 CO -0.14 -0.27 0.17 -0.98 -1.32 0.00 0.00 175.29 172.76 2far s ARG 828 N -3.00 1.18 -0.10 9.60 1.70 -1.26 -0.42 118.95 126.64 2far s ARG 828 Ca -0.02 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 53.45 2far s ARG 828 Cb 0.01 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 2far s ARG 828 CO -0.06 -0.40 1.06 0.42 -1.08 0.00 0.00 175.30 175.24 2far s ILE 829 N -4.10 4.63 0.31 4.99 1.01 -1.26 -5.03 121.20 121.76 2far s ILE 829 Ca 0.31 1.92 0.09 0.00 0.00 0.00 0.00 60.65 62.98 2far s ILE 829 Cb 0.06 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 2far s ILE 829 CO 0.08 -0.02 -0.00 -0.94 0.00 0.00 0.00 174.94 174.07 2far s SER 830 N 1.22 4.27 0.36 3.58 1.04 -1.26 -5.01 113.70 117.89 2far s SER 830 Ca 0.50 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 56.09 2far s SER 830 Cb -0.20 -0.61 0.69 0.00 0.10 0.00 0.00 66.02 66.00 2far s SER 830 CO 0.18 -0.15 1.99 0.00 0.98 0.00 0.00 173.24 176.24 2far h ALA 831 N 1.85 1.62 -0.75 5.32 0.00 -2.00 -1.16 119.26 124.14 2far h ALA 831 Ca -0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2far h ALA 831 Cb 1.25 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2far h ALA 831 CO 0.64 0.31 0.39 0.00 0.00 0.00 0.00 179.25 180.59 2far h ALA 832 N 1.61 1.28 -0.55 0.00 0.00 -1.99 -1.43 119.26 118.17 2far h ALA 832 Ca 0.27 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2far h ALA 832 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2far h ALA 832 CO -0.07 0.58 0.01 0.52 0.00 0.00 0.00 179.25 180.28 2far h MET 833 N 1.05 0.97 -0.38 0.00 2.07 -1.54 -1.98 114.93 115.13 2far h MET 833 Ca 0.26 -0.31 -0.06 0.00 -2.07 0.00 0.00 59.70 57.52 2far h MET 833 Cb 0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 2far h MET 833 CO -0.04 0.97 -0.03 0.00 1.07 0.00 0.00 176.91 178.89 2far h ARG 834 N 0.86 0.62 -0.31 1.72 3.08 -1.07 -2.08 114.38 117.20 2far h ARG 834 Ca 0.16 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2far h ARG 834 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2far h ARG 834 CO 0.03 0.66 0.17 0.00 -1.07 0.00 0.00 179.97 179.76 2far h ARG 835 N 0.59 0.43 0.00 0.04 3.08 -0.92 -2.36 114.38 115.24 2far h ARG 835 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2far h ARG 835 Cb 0.41 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2far h ARG 835 CO 0.02 0.37 -0.11 1.96 -1.07 0.00 0.00 179.97 181.13 2far h GLN 836 N 0.38 0.00 -0.02 0.04 4.20 -0.99 -3.52 115.11 115.20 2far h GLN 836 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2far h GLN 836 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2far h GLN 836 CO -0.02 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.54