#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddj s PHE 546 N 0.00 3.43 0.29 7.33 0.08 -1.26 -5.10 117.98 122.74 1ddj s PHE 546 Ca 0.00 -2.52 -0.29 0.00 0.12 0.00 0.00 56.93 54.25 1ddj s PHE 546 Cb 0.00 -2.28 -0.09 0.00 -0.57 0.00 0.00 43.02 40.08 1ddj s PHE 546 CO 0.00 -0.90 1.06 -0.51 -0.10 0.00 0.00 175.22 174.77 1ddj s ASP 547 N 1.06 7.30 0.82 1.36 1.01 -1.26 -4.85 116.67 122.11 1ddj s ASP 547 Ca -0.02 2.17 -0.14 0.00 0.71 0.00 0.00 52.55 55.26 1ddj s ASP 547 Cb -0.20 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.14 1ddj s ASP 547 CO -0.06 -0.11 0.73 0.00 0.21 0.00 0.00 175.17 175.94 1ddj n GLY 549 N 1.22 0.14 3.05 0.00 0.00 -0.16 -4.63 105.19 104.82 1ddj n GLY 549 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1ddj n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddj s LYS 550 N -1.31 2.29 0.70 1.61 1.02 -1.23 -1.05 119.74 121.77 1ddj s LYS 550 Ca 0.00 -2.49 -0.15 0.00 0.02 0.00 0.00 55.97 53.35 1ddj s LYS 550 Cb 0.00 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1ddj s LYS 550 CO 0.00 -1.14 1.16 -1.25 -0.92 0.00 0.00 175.35 173.21 1ddj s PRO 551 N -0.02 2.40 0.07 -1.68 0.04 -1.26 -4.93 135.00 129.62 1ddj s PRO 551 Ca 0.16 1.59 0.17 0.00 0.04 0.00 0.00 61.00 62.97 1ddj s PRO 551 Cb -0.22 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 1ddj s PRO 551 CO -0.03 -1.60 0.85 1.04 0.04 0.00 0.00 177.00 177.30 1ddj n GLN 552 N -2.62 0.62 -3.68 4.56 1.13 -1.26 -4.67 117.38 111.45 1ddj n GLN 552 Ca 0.12 0.22 -0.38 0.00 -1.94 0.00 0.00 57.00 55.02 1ddj n GLN 552 Cb 0.51 -1.81 -0.12 0.00 0.11 0.00 0.00 30.24 28.93 1ddj n GLN 552 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ddj s VAL 553 N -2.96 4.62 0.17 5.09 1.01 -1.26 -5.06 120.40 122.00 1ddj s VAL 553 Ca -0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1ddj s VAL 553 Cb 0.09 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1ddj s VAL 553 CO 0.81 0.21 1.50 -0.70 0.00 0.00 0.00 175.10 176.92 1ddj s GLU 554 N 1.64 4.25 0.45 2.72 2.56 -1.26 -4.17 118.70 124.89 1ddj s GLU 554 Ca 0.06 2.28 -0.26 0.00 0.00 0.00 0.00 54.97 57.05 1ddj s GLU 554 Cb -0.16 -3.17 -0.09 0.00 2.00 0.00 0.00 34.13 32.71 1ddj s GLU 554 CO 0.06 -0.53 1.45 -2.30 -0.56 0.00 0.00 175.26 173.38 1ddj n PRO 555 N 3.65 2.31 -0.35 4.30 -0.02 -1.26 -4.86 135.00 138.77 1ddj n PRO 555 Ca 0.12 0.82 0.05 0.00 -2.02 0.00 0.00 63.50 62.47 1ddj n PRO 555 Cb 0.40 -2.65 0.20 0.00 -0.02 0.00 0.00 33.50 31.43 1ddj n PRO 555 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ddj h LYS 556 N 2.37 1.01 -4.59 -0.52 3.64 -1.92 -3.47 116.57 113.09 1ddj h LYS 556 Ca -0.51 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 58.64 1ddj h LYS 556 Cb 1.27 -0.23 0.13 0.00 -0.41 0.00 0.00 32.23 32.99 1ddj h LYS 556 CO 0.61 0.67 -0.56 1.63 -2.27 0.00 0.00 179.45 179.53 1ddj n LYS 557 N -4.59 -1.65 -1.61 1.90 5.02 -1.26 -4.90 118.16 111.07 1ddj n LYS 557 Ca 0.17 0.57 -0.59 0.00 -2.02 0.00 0.00 58.31 56.43 1ddj n LYS 557 Cb 0.27 -4.36 -0.08 0.00 -0.02 0.00 0.00 35.03 30.85 1ddj n LYS 557 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ddj n PRO 559 N 2.87 2.08 -0.26 0.00 -0.04 -1.26 -4.15 135.00 134.23 1ddj n PRO 559 Ca 0.23 0.74 0.19 0.00 -0.04 0.00 0.00 63.50 64.62 1ddj n PRO 559 Cb 0.08 -2.41 0.50 0.00 -0.04 0.00 0.00 33.50 31.63 1ddj n PRO 559 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ddj h GLY 560 N 4.27 0.98 2.00 0.55 0.00 -1.88 0.31 103.07 109.30 1ddj h GLY 560 Ca -0.45 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1ddj h GLY 560 CO 0.76 -0.02 0.00 0.07 0.00 0.00 0.00 176.54 177.35 1ddj h ARG 561 N 0.44 0.00 -3.69 4.80 0.11 -1.91 -3.28 114.38 110.85 1ddj h ARG 561 Ca 0.50 0.00 -0.75 0.00 0.10 0.00 0.00 59.98 59.83 1ddj h ARG 561 Cb 1.19 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.13 1ddj h ARG 561 CO -0.21 0.00 2.08 0.28 0.10 0.00 0.00 179.97 182.23 1ddj n VAL 562 N -3.01 4.25 0.19 0.08 0.31 0.11 -4.78 118.33 115.48 1ddj n VAL 562 Ca -0.02 -4.29 0.11 0.00 -0.01 0.00 0.00 64.34 60.14 1ddj n VAL 562 Cb 0.13 -2.39 0.60 0.00 -0.91 0.00 0.00 33.84 31.27 1ddj n VAL 562 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1ddj h VAL 563 N 3.86 0.00 0.00 2.52 -1.51 -1.79 0.16 116.25 119.48 1ddj h VAL 563 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.88 1ddj h VAL 563 Cb 0.65 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1ddj h VAL 563 CO 1.62 0.00 -0.35 0.61 -1.23 0.00 0.00 177.57 178.22 1ddj n GLY 564 N -1.27 -1.47 0.00 5.19 0.00 -1.26 -4.58 105.19 101.80 1ddj n GLY 564 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ddj n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddj n GLY 565 N 1.39 -0.15 3.14 -0.02 0.00 0.54 -5.01 105.19 105.07 1ddj n GLY 565 Ca 0.05 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1ddj n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s VAL 567 N -2.99 4.16 0.60 0.00 1.01 -1.26 -0.45 120.40 121.46 1ddj s VAL 567 Ca 0.06 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 1ddj s VAL 567 Cb 0.01 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1ddj s VAL 567 CO -0.03 0.18 1.06 0.00 0.00 0.00 0.00 175.10 176.31 1ddj s ALA 568 N 0.63 2.72 0.27 5.51 0.00 0.01 -4.83 121.76 126.06 1ddj s ALA 568 Ca 0.54 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1ddj s ALA 568 Cb -0.28 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1ddj s ALA 568 CO 0.31 -0.87 1.41 -1.01 0.00 0.00 0.00 175.76 175.60 1ddj s HIS 569 N -2.49 3.01 0.20 0.00 3.76 -1.26 -4.87 115.29 113.64 1ddj s HIS 569 Ca 0.63 1.12 -0.33 0.00 -0.15 0.00 0.00 55.06 56.34 1ddj s HIS 569 Cb -0.16 -3.79 -0.13 0.00 1.11 0.00 0.00 32.58 29.61 1ddj s HIS 569 CO 0.38 -2.48 1.65 -2.30 -0.85 0.00 0.00 174.74 171.14 1ddj n PRO 570 N 1.94 2.50 -1.59 8.40 -0.02 -1.26 -2.27 135.00 142.69 1ddj n PRO 570 Ca 0.05 0.90 -0.14 0.00 -2.02 0.00 0.00 63.50 62.29 1ddj n PRO 570 Cb 0.41 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1ddj n PRO 570 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ddj n HIS 571 N 3.56 -0.14 1.34 6.00 8.25 -1.26 -4.89 115.22 128.08 1ddj n HIS 571 Ca 0.16 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.75 1ddj n HIS 571 Cb 0.32 -2.65 0.48 0.00 1.12 0.00 0.00 29.99 29.27 1ddj n HIS 571 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ddj n SER 572 N -0.40 0.87 -3.44 0.41 3.41 -0.96 -4.03 113.62 109.48 1ddj n SER 572 Ca -0.15 -0.85 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 1ddj n SER 572 Cb 0.50 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1ddj n SER 572 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1ddj n TRP 573 N -0.67 1.12 0.32 7.33 7.02 -1.26 -4.47 117.44 126.82 1ddj n TRP 573 Ca 0.14 -3.78 0.20 0.00 -1.02 0.00 0.00 57.50 53.04 1ddj n TRP 573 Cb 0.32 -0.28 1.05 0.00 -2.42 0.00 0.00 31.31 29.98 1ddj n TRP 573 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1ddj h PRO 574 N 4.76 0.00 -0.01 -0.99 0.13 -1.81 -2.05 132.00 132.04 1ddj h PRO 574 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ddj h PRO 574 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ddj h PRO 574 CO 0.57 0.00 -0.40 -2.67 -0.23 0.00 0.00 178.00 175.27 1ddj n TRP 575 N -3.22 0.00 -1.67 1.56 2.14 -0.65 -1.95 117.44 113.65 1ddj n TRP 575 Ca -0.02 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.11 1ddj n TRP 575 Cb 0.18 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 1ddj n TRP 575 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1ddj n GLN 576 N -0.51 2.68 -4.16 -2.67 -0.06 -0.77 -1.72 117.38 110.16 1ddj n GLN 576 Ca 0.10 0.98 -0.27 0.00 -2.00 0.00 0.00 57.00 55.82 1ddj n GLN 576 Cb 0.39 -2.90 -0.07 0.00 -4.06 0.00 0.00 30.24 23.61 1ddj n GLN 576 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1ddj s VAL 577 N 3.90 3.99 -0.18 1.69 1.01 -0.22 -4.37 120.40 126.21 1ddj s VAL 577 Ca 0.88 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1ddj s VAL 577 Cb -0.51 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 32.90 1ddj s VAL 577 CO 0.43 -0.10 -0.07 -0.55 0.00 0.00 0.00 175.10 174.81 1ddj s SER 578 N -2.97 3.08 0.04 3.32 0.15 -1.06 -2.73 113.70 113.53 1ddj s SER 578 Ca 0.29 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 1ddj s SER 578 Cb -0.10 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 1ddj s SER 578 CO 0.20 -0.17 0.92 -0.76 1.20 0.00 0.00 173.24 174.63 1ddj s LEU 579 N 1.53 4.43 0.11 3.45 1.43 -0.12 -1.75 118.68 127.75 1ddj s LEU 579 Ca -0.00 1.64 0.09 0.00 -1.03 0.00 0.00 54.13 54.83 1ddj s LEU 579 Cb -0.16 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1ddj s LEU 579 CO -0.08 -0.14 -0.22 -0.13 0.23 0.00 0.00 176.35 176.01 1ddj s ARG 580 N 0.47 1.20 1.12 1.70 1.81 -0.43 -0.49 118.95 124.33 1ddj s ARG 580 Ca 0.47 -1.20 -0.16 0.00 -1.72 0.00 0.00 55.73 53.12 1ddj s ARG 580 Cb -0.22 -1.52 0.25 0.00 -0.45 0.00 0.00 34.95 33.01 1ddj s ARG 580 CO 0.27 0.36 1.10 0.95 -0.68 0.00 0.00 175.30 177.29 1ddj s THR 581 N -1.12 1.78 0.24 0.02 -4.23 -0.33 -2.77 115.64 109.23 1ddj s THR 581 Ca 0.08 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1ddj s THR 581 Cb -0.10 -2.47 0.21 0.00 1.34 0.00 0.00 72.50 71.48 1ddj s THR 581 CO 0.05 0.00 1.86 0.08 -0.54 0.00 0.00 174.62 176.07 1ddj h ARG 582 N -2.32 0.97 0.00 3.99 0.11 -1.88 -2.21 114.38 113.05 1ddj h ARG 582 Ca -0.50 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.52 1ddj h ARG 582 Cb 1.31 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1ddj h ARG 582 CO 0.45 0.64 0.00 1.19 0.10 0.00 0.00 179.97 182.35 1ddj n PHE 583 N -4.60 0.64 0.00 4.08 0.99 -1.26 -4.91 117.46 112.39 1ddj n PHE 583 Ca 0.12 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1ddj n PHE 583 Cb 0.14 -0.84 0.00 0.00 -1.00 0.00 0.00 39.48 37.79 1ddj n PHE 583 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ddj n GLY 584 N 0.88 1.67 3.54 1.37 0.00 -0.83 -5.11 105.19 106.72 1ddj n GLY 584 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1ddj n GLY 584 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ddj s MET 585 N -0.15 3.83 0.28 1.61 0.00 -1.26 -4.82 119.30 118.79 1ddj s MET 585 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 55.69 54.99 1ddj s MET 585 Cb 0.00 -3.33 -0.11 0.00 0.00 0.00 0.00 34.83 31.39 1ddj s MET 585 CO 0.00 -0.00 1.50 -1.58 0.00 0.00 0.00 175.02 174.93 1ddj s HIS 586 N 1.14 2.87 0.00 4.11 5.65 -1.26 -1.19 115.29 126.61 1ddj s HIS 586 Ca 0.05 0.97 0.00 0.00 0.25 0.00 0.00 55.06 56.33 1ddj s HIS 586 Cb -0.14 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.33 1ddj s HIS 586 CO 0.04 -3.01 0.00 1.97 -0.65 0.00 0.00 174.74 173.09 1ddj n PHE 587 N 1.97 0.00 -3.96 3.88 1.16 0.36 -4.92 117.46 115.95 1ddj n PHE 587 Ca 0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.54 1ddj n PHE 587 Cb 0.39 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.23 1ddj n PHE 587 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ddj s GLY 589 N -3.07 3.02 -0.02 0.00 0.00 -0.16 -0.95 107.32 106.13 1ddj s GLY 589 Ca 0.21 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 1ddj s GLY 589 CO 0.12 -2.18 1.29 -0.32 0.00 0.00 0.00 173.10 172.01 1ddj s GLY 590 N -3.96 -0.18 -0.02 0.20 0.00 -1.11 -3.89 107.32 98.36 1ddj s GLY 590 Ca 0.05 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.96 1ddj s GLY 590 CO 0.03 4.68 -0.09 -1.59 0.00 0.00 0.00 173.10 176.14 1ddj s THR 591 N -2.08 0.75 -0.13 0.90 2.01 0.45 -1.06 115.64 116.48 1ddj s THR 591 Ca 0.27 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1ddj s THR 591 Cb 0.01 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1ddj s THR 591 CO -0.01 0.23 0.98 -0.22 -0.69 0.00 0.00 174.62 174.90 1ddj s LEU 592 N 0.09 4.22 0.00 4.42 2.96 -0.70 -0.09 118.68 129.58 1ddj s LEU 592 Ca -0.01 1.45 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1ddj s LEU 592 Cb -0.07 -3.50 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1ddj s LEU 592 CO 0.00 -0.46 0.39 2.30 -1.32 0.00 0.00 176.35 177.27 1ddj n ILE 593 N 4.66 0.00 -3.55 6.68 -5.35 -0.91 -0.26 119.36 120.63 1ddj n ILE 593 Ca 0.08 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 62.02 1ddj n ILE 593 Cb 0.48 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.40 1ddj n ILE 593 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ddj s SER 594 N -0.65 -0.24 0.54 7.28 1.04 -1.19 -4.78 113.70 115.69 1ddj s SER 594 Ca 0.02 0.01 0.22 0.00 0.48 0.00 0.00 55.95 56.68 1ddj s SER 594 Cb 0.02 0.25 1.39 0.00 0.10 0.00 0.00 66.02 67.78 1ddj s SER 594 CO 0.06 -0.40 2.09 -0.65 0.98 0.00 0.00 173.24 175.32 1ddj h PRO 595 N 2.02 0.00 -0.02 4.02 0.11 -1.96 -2.55 132.00 133.62 1ddj h PRO 595 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1ddj h PRO 595 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ddj h PRO 595 CO 0.27 0.00 -0.27 0.39 -0.21 0.00 0.00 178.00 178.17 1ddj n GLU 596 N -4.36 1.57 -4.75 1.05 1.02 -1.26 0.14 120.64 114.05 1ddj n GLU 596 Ca 0.03 -1.11 -0.24 0.00 -0.02 0.00 0.00 57.16 55.82 1ddj n GLU 596 Cb 0.32 -1.35 -0.15 0.00 -0.02 0.00 0.00 31.44 30.24 1ddj n GLU 596 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ddj s TRP 597 N -1.96 1.58 -0.04 -0.32 0.52 -0.96 0.01 118.94 117.77 1ddj s TRP 597 Ca 0.17 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.02 1ddj s TRP 597 Cb 0.15 -0.99 -0.00 0.00 -1.15 0.00 0.00 33.47 31.48 1ddj s TRP 597 CO 0.40 0.00 -0.15 0.08 0.02 0.00 0.00 176.95 177.30 1ddj s VAL 598 N -0.52 1.29 -0.22 4.03 1.01 -0.66 -2.14 120.40 123.18 1ddj s VAL 598 Ca 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1ddj s VAL 598 Cb -0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1ddj s VAL 598 CO -0.00 0.38 0.05 -0.22 0.00 0.00 0.00 175.10 175.30 1ddj s LEU 599 N 0.12 3.46 0.00 3.92 2.96 0.87 -1.39 118.68 128.62 1ddj s LEU 599 Ca -0.05 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1ddj s LEU 599 Cb -0.11 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1ddj s LEU 599 CO 0.02 0.04 0.00 1.07 -1.32 0.00 0.00 176.35 176.16 1ddj n THR 600 N 4.44 0.00 -3.94 3.68 5.66 -0.52 -0.41 114.28 123.19 1ddj n THR 600 Ca -0.16 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.47 1ddj n THR 600 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 1ddj n THR 600 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddj s ALA 601 N -2.00 3.82 0.37 1.79 0.00 -1.26 -1.02 121.76 123.45 1ddj s ALA 601 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.34 1ddj s ALA 601 Cb 0.00 -1.90 0.75 0.00 0.00 0.00 0.00 23.12 21.98 1ddj s ALA 601 CO 0.00 0.63 1.98 0.00 0.00 0.00 0.00 175.76 178.38 1ddj h ALA 602 N 4.84 1.69 -0.72 0.00 0.00 -1.71 -1.91 119.26 121.45 1ddj h ALA 602 Ca -0.54 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.53 1ddj h ALA 602 Cb 1.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1ddj h ALA 602 CO 0.59 0.22 0.50 1.25 0.00 0.00 0.00 179.25 181.80 1ddj h HIS 603 N 0.73 0.21 0.00 0.00 -0.00 -1.91 -0.95 115.15 113.24 1ddj h HIS 603 Ca 0.28 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1ddj h HIS 603 Cb 0.17 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1ddj h HIS 603 CO -0.00 0.07 -0.05 0.00 -0.00 0.00 0.00 177.93 177.95 1ddj n LEU 605 N -3.20 4.36 0.29 0.00 4.77 -0.36 -4.57 117.00 118.28 1ddj n LEU 605 Ca -0.00 -2.56 0.17 0.00 -0.03 0.00 0.00 56.01 53.60 1ddj n LEU 605 Cb 0.29 -0.52 0.82 0.00 -2.33 0.00 0.00 43.42 41.68 1ddj n LEU 605 CO 0.28 0.75 1.03 -0.33 -1.33 0.00 0.00 177.39 177.78 1ddj h GLU 606 N 3.19 0.00 0.00 3.23 5.08 -1.56 -3.09 114.58 121.44 1ddj h GLU 606 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1ddj h GLU 606 Cb 1.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1ddj h GLU 606 CO 0.22 0.04 -0.81 0.87 -1.00 0.00 0.00 179.01 178.33 1ddj h LYS 607 N 0.00 0.00 -2.28 2.33 1.79 -1.85 -3.47 116.57 113.10 1ddj h LYS 607 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1ddj h LYS 607 Cb 0.36 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.79 1ddj h LYS 607 CO 0.01 0.34 -0.03 0.45 -1.08 0.00 0.00 179.45 179.14 1ddj s SER 608 N -6.11 -0.65 0.04 0.86 0.15 -1.17 -5.02 113.70 101.80 1ddj s SER 608 Ca 0.02 1.22 0.26 0.00 0.70 0.00 0.00 55.95 58.15 1ddj s SER 608 Cb 0.08 1.21 0.72 0.00 -1.71 0.00 0.00 66.02 66.33 1ddj s SER 608 CO 0.77 -0.21 1.58 -0.81 1.20 0.00 0.00 173.24 175.77 1ddj n PRO 609 N 3.02 0.08 -2.65 5.44 -0.04 -1.26 -4.85 135.00 134.74 1ddj n PRO 609 Ca -0.15 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 1ddj n PRO 609 Cb 0.56 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1ddj n PRO 609 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ddj s ARG 610 N -3.04 4.29 0.39 0.54 3.00 -1.26 -4.85 118.95 118.01 1ddj s ARG 610 Ca 0.11 1.39 0.07 0.00 0.00 0.00 0.00 55.73 57.30 1ddj s ARG 610 Cb 0.17 -3.63 0.81 0.00 0.00 0.00 0.00 34.95 32.30 1ddj s ARG 610 CO 0.64 -0.58 2.00 -1.35 0.00 0.00 0.00 175.30 176.01 1ddj h PRO 611 N 7.44 0.63 0.00 3.54 0.11 -1.84 -0.15 132.00 141.73 1ddj h PRO 611 Ca -0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1ddj h PRO 611 Cb 1.08 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ddj h PRO 611 CO 0.96 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 178.04 1ddj n SER 612 N -4.47 0.00 -0.16 -2.05 3.41 -1.24 -0.86 113.62 108.25 1ddj n SER 612 Ca 0.08 0.45 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 1ddj n SER 612 Cb 0.19 -0.46 0.52 0.00 -0.26 0.00 0.00 64.21 64.20 1ddj n SER 612 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ddj n SER 613 N -1.46 0.67 -4.11 4.04 7.64 -0.07 -4.85 113.62 115.48 1ddj n SER 613 Ca 0.00 -0.67 -0.21 0.00 1.01 0.00 0.00 58.87 59.00 1ddj n SER 613 Cb 0.02 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.07 1ddj n SER 613 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ddj s TYR 614 N -2.49 1.23 0.02 1.43 1.51 -0.04 -3.22 117.35 115.78 1ddj s TYR 614 Ca 0.27 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1ddj s TYR 614 Cb 0.20 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.26 1ddj s TYR 614 CO 0.49 -0.00 -0.05 -1.59 -1.11 0.00 0.00 175.55 173.29 1ddj s LYS 615 N -0.55 0.39 -0.07 -0.62 -2.85 -1.11 -1.26 119.74 113.66 1ddj s LYS 615 Ca 0.04 -0.42 0.01 0.00 -1.00 0.00 0.00 55.97 54.60 1ddj s LYS 615 Cb -0.06 -0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.43 1ddj s LYS 615 CO -0.00 0.06 -0.08 0.14 0.10 0.00 0.00 175.35 175.57 1ddj s VAL 616 N -0.73 3.61 -0.23 1.79 -7.23 0.13 -1.32 120.40 116.42 1ddj s VAL 616 Ca -0.05 -0.51 -0.06 0.00 -1.81 0.00 0.00 61.98 59.55 1ddj s VAL 616 Cb -0.06 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1ddj s VAL 616 CO -0.00 0.59 0.04 -0.63 -0.31 0.00 0.00 175.10 174.79 1ddj s ILE 617 N -0.68 4.13 -0.00 -0.62 1.09 -0.72 -1.42 121.20 122.99 1ddj s ILE 617 Ca 0.10 -0.24 0.06 0.00 -1.10 0.00 0.00 60.65 59.47 1ddj s ILE 617 Cb -0.11 -2.91 -0.03 0.00 -1.06 0.00 0.00 42.46 38.35 1ddj s ILE 617 CO 0.02 0.38 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.31 1ddj s LEU 618 N 1.38 2.63 0.00 2.97 1.43 -0.12 -2.56 118.68 124.42 1ddj s LEU 618 Ca 0.05 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1ddj s LEU 618 Cb -0.15 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1ddj s LEU 618 CO 0.02 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1ddj n GLY 619 N 1.92 0.65 3.89 -3.19 0.00 -1.26 -1.59 105.19 105.61 1ddj n GLY 619 Ca -0.16 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1ddj n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s ALA 620 N -2.00 2.92 0.00 4.61 0.00 -1.26 -4.81 121.76 121.22 1ddj s ALA 620 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1ddj s ALA 620 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1ddj s ALA 620 CO 0.00 -1.15 0.00 1.58 0.00 0.00 0.00 175.76 176.19 1ddj n HIS 621 N -2.99 0.00 -3.51 0.00 -0.00 -1.26 -4.68 115.22 102.79 1ddj n HIS 621 Ca 0.07 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.93 1ddj n HIS 621 Cb 0.58 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.40 1ddj n HIS 621 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1ddj s GLN 622 N -1.00 3.72 -0.11 1.57 -1.52 -1.26 -1.40 119.66 119.66 1ddj s GLN 622 Ca 0.00 0.12 -0.04 0.00 -1.95 0.00 0.00 55.36 53.50 1ddj s GLN 622 Cb 0.00 -2.72 -0.26 0.00 -0.22 0.00 0.00 33.01 29.81 1ddj s GLN 622 CO 0.00 0.37 0.41 -1.91 -0.25 0.00 0.00 175.29 173.90 1ddj n GLU 623 N -0.11 0.74 -0.08 2.91 2.13 0.13 -4.66 120.64 121.70 1ddj n GLU 623 Ca -0.01 0.27 -0.17 0.00 0.66 0.00 0.00 57.16 57.91 1ddj n GLU 623 Cb 0.52 -1.72 -0.06 0.00 0.27 0.00 0.00 31.44 30.45 1ddj n GLU 623 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ddj n VAL 624 N -3.41 0.94 -3.33 6.31 0.31 -1.26 -4.67 118.33 113.21 1ddj n VAL 624 Ca -0.30 -0.21 -0.45 0.00 -0.01 0.00 0.00 64.34 63.38 1ddj n VAL 624 Cb 1.05 -1.74 -0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1ddj n VAL 624 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ddj s ASN 625 N -6.47 7.31 0.69 4.52 0.02 -1.26 -5.03 114.94 114.72 1ddj s ASN 625 Ca -0.23 -3.57 -0.17 0.00 -1.02 0.00 0.00 52.86 47.87 1ddj s ASN 625 Cb 0.09 -2.21 0.01 0.00 0.02 0.00 0.00 41.25 39.16 1ddj s ASN 625 CO 0.29 -0.30 1.24 -0.76 0.02 0.00 0.00 177.10 177.59 1ddj s LEU 626 N -1.19 3.45 0.54 0.60 1.43 -1.26 -4.75 118.68 117.50 1ddj s LEU 626 Ca 0.31 2.47 -0.18 0.00 -1.03 0.00 0.00 54.13 55.69 1ddj s LEU 626 Cb -0.10 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.46 1ddj s LEU 626 CO -0.08 -2.11 1.06 -1.83 0.23 0.00 0.00 176.35 173.62 1ddj s GLU 627 N -3.64 3.53 0.53 1.70 1.03 -1.26 -4.94 118.70 115.64 1ddj s GLU 627 Ca 0.78 1.35 0.26 0.00 0.03 0.00 0.00 54.97 57.39 1ddj s GLU 627 Cb -0.33 -2.05 1.47 0.00 -0.80 0.00 0.00 34.13 32.42 1ddj s GLU 627 CO 0.42 -0.66 2.10 -1.35 -1.33 0.00 0.00 175.26 174.44 1ddj h PRO 628 N 1.07 0.00 0.00 -4.83 0.11 -2.01 -2.19 132.00 124.16 1ddj h PRO 628 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ddj h PRO 628 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ddj h PRO 628 CO 0.58 0.10 0.00 -2.39 -0.21 0.00 0.00 178.00 176.08 1ddj n HIS 629 N -3.79 0.00 -2.06 0.65 1.44 -1.26 -4.87 115.22 105.34 1ddj n HIS 629 Ca -0.02 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.28 1ddj n HIS 629 Cb 0.20 -0.23 -0.02 0.00 0.12 0.00 0.00 29.99 30.06 1ddj n HIS 629 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1ddj s VAL 630 N -2.46 2.65 -0.17 0.61 1.01 -0.83 -4.97 120.40 116.25 1ddj s VAL 630 Ca 0.27 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 1ddj s VAL 630 Cb 0.17 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1ddj s VAL 630 CO 0.37 0.13 0.23 -1.10 0.00 0.00 0.00 175.10 174.72 1ddj s GLN 631 N -1.34 4.18 -0.23 2.72 -0.21 -0.62 -4.95 119.66 119.21 1ddj s GLN 631 Ca 0.53 -0.02 -0.00 0.00 0.02 0.00 0.00 55.36 55.88 1ddj s GLN 631 Cb -0.41 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.22 1ddj s GLN 631 CO 0.51 0.30 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.66 1ddj s GLU 632 N 0.31 2.78 -0.11 2.91 2.02 -1.26 -0.94 118.70 124.42 1ddj s GLU 632 Ca 0.13 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1ddj s GLU 632 Cb -0.12 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.27 1ddj s GLU 632 CO 0.02 -0.37 -0.10 0.42 0.02 0.00 0.00 175.26 175.24 1ddj s ILE 633 N 1.28 1.19 0.62 -1.63 1.01 -0.50 -4.96 121.20 118.20 1ddj s ILE 633 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 1ddj s ILE 633 Cb -0.16 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1ddj s ILE 633 CO -0.07 0.39 1.22 -0.70 0.00 0.00 0.00 174.94 175.78 1ddj s GLU 634 N 1.41 2.79 -0.16 2.79 2.12 -1.26 -0.70 118.70 125.69 1ddj s GLU 634 Ca 0.00 1.83 -0.18 0.00 0.36 0.00 0.00 54.97 56.99 1ddj s GLU 634 Cb -0.13 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1ddj s GLU 634 CO -0.06 -1.35 0.48 0.08 -0.54 0.00 0.00 175.26 173.87 1ddj s VAL 635 N -1.65 5.16 -0.08 3.70 1.01 -0.39 -1.54 120.40 126.61 1ddj s VAL 635 Ca 0.77 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1ddj s VAL 635 Cb -0.31 -3.82 -0.29 0.00 0.00 0.00 0.00 36.38 31.97 1ddj s VAL 635 CO 0.36 0.27 0.53 0.77 0.00 0.00 0.00 175.10 177.03 1ddj h SER 636 N 7.04 0.53 -4.57 3.32 4.64 -0.47 -3.29 113.55 120.76 1ddj h SER 636 Ca -0.38 -0.95 -0.17 0.00 -0.47 0.00 0.00 61.79 59.82 1ddj h SER 636 Cb 1.17 -0.17 -0.23 0.00 -0.31 0.00 0.00 62.40 62.86 1ddj h SER 636 CO 0.75 1.82 -0.58 -0.13 -0.87 0.00 0.00 176.83 177.82 1ddj s ARG 637 N -2.57 0.32 -0.03 4.77 0.52 -1.16 -4.72 118.95 116.09 1ddj s ARG 637 Ca -0.19 -0.27 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 1ddj s ARG 637 Cb 0.06 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1ddj s ARG 637 CO 0.82 -0.07 -0.16 -0.51 0.02 0.00 0.00 175.30 175.40 1ddj s LEU 638 N -0.92 2.64 -0.22 2.53 1.43 -1.26 -0.51 118.68 122.37 1ddj s LEU 638 Ca -0.10 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1ddj s LEU 638 Cb -0.06 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.70 1ddj s LEU 638 CO 0.00 0.33 0.07 -0.36 0.23 0.00 0.00 176.35 176.62 1ddj s PHE 639 N -0.75 0.82 0.27 0.29 0.40 0.55 -4.99 117.98 114.57 1ddj s PHE 639 Ca 0.12 -0.85 -0.15 0.00 -0.60 0.00 0.00 56.93 55.44 1ddj s PHE 639 Cb -0.11 -1.02 -0.08 0.00 0.51 0.00 0.00 43.02 42.32 1ddj s PHE 639 CO 0.01 -0.66 0.69 -0.51 0.70 0.00 0.00 175.22 175.45 1ddj s LEU 640 N 1.93 4.17 0.16 -0.37 1.43 -1.26 0.02 118.68 124.75 1ddj s LEU 640 Ca 0.03 1.24 -0.31 0.00 -1.03 0.00 0.00 54.13 54.05 1ddj s LEU 640 Cb -0.17 -3.83 -0.10 0.00 0.03 0.00 0.00 46.19 42.12 1ddj s LEU 640 CO -0.15 -0.10 1.61 -0.70 0.23 0.00 0.00 176.35 177.25 1ddj s GLU 641 N -2.63 4.20 0.55 1.70 -6.30 -0.80 -4.89 118.70 110.53 1ddj s GLU 641 Ca 0.49 2.41 0.33 0.00 -2.50 0.00 0.00 54.97 55.70 1ddj s GLU 641 Cb -0.12 -3.22 1.82 0.00 0.00 0.00 0.00 34.13 32.61 1ddj s GLU 641 CO 0.19 -0.66 2.02 -1.00 0.02 0.00 0.00 175.26 175.83 1ddj h PRO 642 N 7.07 0.00 -0.37 4.30 0.13 -1.93 -2.89 132.00 138.31 1ddj h PRO 642 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1ddj h PRO 642 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1ddj h PRO 642 CO 0.92 0.00 -0.05 0.25 -0.23 0.00 0.00 178.00 178.89 1ddj n THR 643 N -2.74 2.56 -1.37 1.56 -2.24 -1.26 -4.96 114.28 105.83 1ddj n THR 643 Ca -0.02 -2.66 -0.13 0.00 -2.27 0.00 0.00 64.05 58.97 1ddj n THR 643 Cb 0.14 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1ddj n THR 643 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ddj n ARG 644 N -1.09 -1.09 -2.45 -0.78 1.74 -1.09 -5.00 116.66 106.89 1ddj n ARG 644 Ca 0.33 0.92 -0.32 0.00 -0.77 0.00 0.00 57.85 58.02 1ddj n ARG 644 Cb 1.05 -5.04 -0.04 0.00 -1.02 0.00 0.00 32.46 27.41 1ddj n ARG 644 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ddj s LYS 645 N -2.98 3.98 -1.42 5.56 -0.14 -1.26 -4.93 119.74 118.54 1ddj s LYS 645 Ca 0.00 0.97 -0.14 0.00 -1.36 0.00 0.00 55.97 55.45 1ddj s LYS 645 Cb 0.00 -2.14 -0.01 0.00 -1.68 0.00 0.00 37.83 34.00 1ddj s LYS 645 CO 0.00 -0.24 2.36 -3.47 -0.76 0.00 0.00 175.35 173.24 1ddj n ASP 646 N -1.46 4.83 -3.71 2.83 4.64 -1.26 -4.53 116.55 117.89 1ddj n ASP 646 Ca 0.07 -2.75 -0.13 0.00 -1.38 0.00 0.00 54.79 50.59 1ddj n ASP 646 Cb 0.54 -1.58 -0.10 0.00 -1.04 0.00 0.00 41.12 38.95 1ddj n ASP 646 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1ddj s ILE 647 N 3.14 -0.00 0.12 5.18 2.07 -1.26 -3.91 121.20 126.54 1ddj s ILE 647 Ca 0.53 0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.63 1ddj s ILE 647 Cb 0.15 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 42.12 1ddj s ILE 647 CO -0.06 0.00 0.35 0.00 -1.91 0.00 0.00 174.94 173.32 1ddj s ALA 648 N 0.41 -0.77 0.00 1.50 0.00 -0.19 -1.91 121.76 120.80 1ddj s ALA 648 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.83 1ddj s ALA 648 Cb -0.04 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1ddj s ALA 648 CO -0.01 -0.61 -0.20 -0.51 0.00 0.00 0.00 175.76 174.43 1ddj s LEU 649 N -2.82 2.48 -0.08 0.00 1.43 0.10 -1.43 118.68 118.36 1ddj s LEU 649 Ca 0.03 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1ddj s LEU 649 Cb 0.03 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1ddj s LEU 649 CO -0.12 0.30 -0.20 -0.76 0.23 0.00 0.00 176.35 175.80 1ddj s LEU 650 N -1.03 1.93 -0.22 1.79 1.43 -0.49 -0.33 118.68 121.76 1ddj s LEU 650 Ca 0.12 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1ddj s LEU 650 Cb -0.10 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 1ddj s LEU 650 CO 0.02 0.13 0.22 -0.75 0.23 0.00 0.00 176.35 176.20 1ddj s LYS 651 N 0.34 4.11 0.07 1.70 2.20 0.33 -1.66 119.74 126.83 1ddj s LYS 651 Ca -0.14 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1ddj s LYS 651 Cb -0.16 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1ddj s LYS 651 CO 0.06 0.07 1.17 -0.51 -0.36 0.00 0.00 175.35 175.78 1ddj s LEU 652 N 1.03 4.38 0.54 5.43 1.43 0.10 0.26 118.68 131.85 1ddj s LEU 652 Ca 0.10 1.99 0.36 0.00 -1.03 0.00 0.00 54.13 55.56 1ddj s LEU 652 Cb -0.14 -3.58 1.93 0.00 0.03 0.00 0.00 46.19 44.44 1ddj s LEU 652 CO 0.05 -0.43 2.11 0.77 0.23 0.00 0.00 176.35 179.08 1ddj h SER 653 N 6.64 0.00 -3.73 2.29 4.64 -1.58 -3.41 113.55 118.39 1ddj h SER 653 Ca -0.42 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.73 1ddj h SER 653 Cb 1.21 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.04 1ddj h SER 653 CO 0.80 0.00 -0.45 -0.55 -0.87 0.00 0.00 176.83 175.75 1ddj s SER 654 N -4.82 -0.24 0.40 4.97 0.15 -1.26 -4.98 113.70 107.91 1ddj s SER 654 Ca -0.03 0.47 -0.27 0.00 0.70 0.00 0.00 55.95 56.82 1ddj s SER 654 Cb 0.11 0.46 -0.10 0.00 -1.71 0.00 0.00 66.02 64.77 1ddj s SER 654 CO 0.36 -0.10 1.42 -2.65 1.20 0.00 0.00 173.24 173.47 1ddj n PRO 655 N 3.19 2.40 -2.39 5.44 -0.02 -1.26 -4.83 135.00 137.53 1ddj n PRO 655 Ca -0.15 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1ddj n PRO 655 Cb 0.57 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1ddj n PRO 655 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ddj s ALA 656 N -1.14 3.43 -0.49 3.55 0.00 0.12 -4.97 121.76 122.26 1ddj s ALA 656 Ca 0.56 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 1ddj s ALA 656 Cb -0.49 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.28 1ddj s ALA 656 CO 0.61 -0.31 1.08 0.08 0.00 0.00 0.00 175.76 177.22 1ddj s VAL 657 N -0.66 4.26 -0.10 0.00 1.01 -1.26 -4.80 120.40 118.84 1ddj s VAL 657 Ca 0.49 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 1ddj s VAL 657 Cb -0.33 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 1ddj s VAL 657 CO 0.40 -1.02 1.48 -0.63 0.00 0.00 0.00 175.10 175.33 1ddj s ILE 658 N 4.32 3.89 0.00 2.22 -1.09 -1.26 -4.79 121.20 124.49 1ddj s ILE 658 Ca 0.43 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 1ddj s ILE 658 Cb -0.08 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1ddj s ILE 658 CO 0.29 -0.09 0.00 0.35 -1.23 0.00 0.00 174.94 174.26 1ddj n THR 659 N 5.41 0.00 0.27 2.92 -2.24 -0.49 -4.95 114.28 115.20 1ddj n THR 659 Ca 0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 1ddj n THR 659 Cb 0.44 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 68.99 1ddj n THR 659 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ddj h ASP 660 N 0.00 0.00 -0.02 3.42 -0.00 -2.00 -3.19 116.42 114.63 1ddj h ASP 660 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ddj h ASP 660 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ddj h ASP 660 CO 0.00 0.00 -0.08 0.29 -0.00 0.00 0.00 179.24 179.45 1ddj n LYS 661 N -3.00 1.24 -3.64 4.15 5.02 -1.26 -4.29 118.16 116.37 1ddj n LYS 661 Ca 0.03 -1.19 -0.29 0.00 -2.02 0.00 0.00 58.31 54.85 1ddj n LYS 661 Cb 0.46 -1.26 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 1ddj n LYS 661 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ddj s VAL 662 N -1.34 0.30 -0.01 -0.18 1.01 -1.21 -4.13 120.40 114.85 1ddj s VAL 662 Ca 0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1ddj s VAL 662 Cb 0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1ddj s VAL 662 CO 0.23 -0.59 0.05 -0.63 0.00 0.00 0.00 175.10 174.15 1ddj s ILE 663 N 1.92 0.01 0.48 2.22 1.01 -0.82 -1.39 121.20 124.63 1ddj s ILE 663 Ca 0.07 -0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.39 1ddj s ILE 663 Cb -0.17 -0.11 -0.08 0.00 0.01 0.00 0.00 42.46 42.11 1ddj s ILE 663 CO -0.26 -0.06 1.06 -2.84 0.00 0.00 0.00 174.94 172.84 1ddj s PRO 664 N -0.18 3.80 0.41 2.79 0.02 -1.26 -1.64 135.00 138.95 1ddj s PRO 664 Ca -0.02 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.36 1ddj s PRO 664 Cb -0.02 -2.19 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 1ddj s PRO 664 CO 0.00 -0.44 0.76 0.00 -0.33 0.00 0.00 177.00 176.98 1ddj s ALA 665 N -1.86 3.38 0.55 -1.55 0.00 0.64 -0.98 121.76 121.94 1ddj s ALA 665 Ca 0.66 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 1ddj s ALA 665 Cb -0.19 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1ddj s ALA 665 CO 0.23 -0.07 0.96 0.00 0.00 0.00 0.00 175.76 176.88 1ddj s LEU 667 N -4.65 3.12 0.67 0.00 1.43 -1.26 -1.32 118.68 116.67 1ddj s LEU 667 Ca 0.55 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1ddj s LEU 667 Cb -0.11 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 1ddj s LEU 667 CO 0.44 0.24 1.06 -2.16 0.23 0.00 0.00 176.35 176.15 1ddj s PRO 668 N -1.76 3.02 0.46 1.29 0.04 -1.26 -4.94 135.00 131.85 1ddj s PRO 668 Ca 0.19 1.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1ddj s PRO 668 Cb -0.11 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1ddj s PRO 668 CO 0.10 -1.04 1.07 -1.54 0.04 0.00 0.00 177.00 175.64 1ddj s SER 669 N -3.50 6.38 0.11 6.66 1.04 -1.26 -4.88 113.70 118.25 1ddj s SER 669 Ca 0.60 2.05 -0.35 0.00 0.48 0.00 0.00 55.95 58.72 1ddj s SER 669 Cb -0.15 -2.58 -0.17 0.00 0.10 0.00 0.00 66.02 63.22 1ddj s SER 669 CO 0.50 -0.76 1.07 -2.65 0.98 0.00 0.00 173.24 172.38 1ddj n PRO 670 N -0.64 0.61 -1.44 4.02 -0.02 -1.26 -1.77 135.00 134.50 1ddj n PRO 670 Ca 0.08 0.22 -0.16 0.00 -2.02 0.00 0.00 63.50 61.62 1ddj n PRO 670 Cb 0.51 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 1ddj n PRO 670 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ddj n ASN 671 N 1.92 -5.02 -4.75 2.55 5.03 0.13 -4.95 115.26 110.18 1ddj n ASN 671 Ca 0.18 0.39 -0.41 0.00 0.87 0.00 0.00 54.58 55.60 1ddj n ASN 671 Cb 0.18 -4.22 -0.02 0.00 -1.02 0.00 0.00 39.78 34.70 1ddj n ASN 671 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ddj s TYR 672 N -2.32 3.08 -0.37 3.10 5.04 -0.73 -4.96 117.35 120.18 1ddj s TYR 672 Ca 0.00 1.14 -0.08 0.00 -2.44 0.00 0.00 57.07 55.69 1ddj s TYR 672 Cb 0.00 -3.74 0.06 0.00 0.35 0.00 0.00 41.96 38.62 1ddj s TYR 672 CO 0.00 -2.34 0.18 0.08 -1.34 0.00 0.00 175.55 172.12 1ddj s VAL 673 N -0.17 3.99 0.26 3.14 1.01 -1.26 -4.69 120.40 122.68 1ddj s VAL 673 Ca 0.57 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 1ddj s VAL 673 Cb -0.40 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 1ddj s VAL 673 CO 0.44 -0.33 1.45 0.55 0.00 0.00 0.00 175.10 177.21 1ddj n VAL 674 N 4.85 1.02 -1.88 2.92 3.14 -1.26 -4.88 118.33 122.25 1ddj n VAL 674 Ca -0.11 -0.26 -0.38 0.00 -2.96 0.00 0.00 64.34 60.63 1ddj n VAL 674 Cb 0.44 -1.61 0.03 0.00 -1.06 0.00 0.00 33.84 31.64 1ddj n VAL 674 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ddj s ALA 675 N -0.10 2.87 0.20 1.55 0.00 -1.26 -4.93 121.76 120.10 1ddj s ALA 675 Ca 0.66 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.57 1ddj s ALA 675 Cb -0.60 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 18.84 1ddj s ALA 675 CO 0.50 -1.22 1.27 -3.47 0.00 0.00 0.00 175.76 172.84 1ddj n ASP 676 N -0.87 1.98 0.00 0.00 2.03 -1.26 -1.74 116.55 116.69 1ddj n ASP 676 Ca 0.09 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 1ddj n ASP 676 Cb 0.45 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1ddj n ASP 676 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ddj n ARG 677 N 1.87 -0.77 -1.87 -0.67 1.74 0.13 -4.94 116.66 112.16 1ddj n ARG 677 Ca 0.13 0.19 -0.39 0.00 -0.77 0.00 0.00 57.85 57.01 1ddj n ARG 677 Cb 0.28 -3.84 0.01 0.00 -1.02 0.00 0.00 32.46 27.89 1ddj n ARG 677 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ddj s THR 678 N -1.72 2.22 -0.11 0.55 2.01 -0.71 -4.44 115.64 113.44 1ddj s THR 678 Ca 0.00 0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 1ddj s THR 678 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1ddj s THR 678 CO 0.00 0.02 0.81 -1.61 -0.69 0.00 0.00 174.62 173.15 1ddj s GLU 679 N -2.46 4.38 0.33 4.92 0.41 -1.26 -1.03 118.70 123.99 1ddj s GLU 679 Ca 0.61 1.03 0.03 0.00 -0.41 0.00 0.00 54.97 56.23 1ddj s GLU 679 Cb -0.42 -3.51 -0.05 0.00 -1.78 0.00 0.00 34.13 28.37 1ddj s GLU 679 CO 0.53 -0.15 0.09 0.00 -0.49 0.00 0.00 175.26 175.24 1ddj s PHE 681 N -3.40 0.37 -0.12 0.00 0.40 0.69 -0.54 117.98 115.38 1ddj s PHE 681 Ca 0.34 -0.05 -0.06 0.00 -0.60 0.00 0.00 56.93 56.56 1ddj s PHE 681 Cb 0.07 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1ddj s PHE 681 CO 0.15 -0.10 0.09 -1.50 0.70 0.00 0.00 175.22 174.56 1ddj s ILE 682 N 0.64 5.08 0.11 0.64 2.07 -0.78 -1.14 121.20 127.81 1ddj s ILE 682 Ca -0.07 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.27 1ddj s ILE 682 Cb -0.10 -3.21 -0.04 0.00 0.13 0.00 0.00 42.46 39.24 1ddj s ILE 682 CO -0.01 0.58 -0.11 0.42 -1.91 0.00 0.00 174.94 173.91 1ddj s THR 683 N -0.71 1.05 0.00 4.00 -4.23 -1.12 -2.00 115.64 112.63 1ddj s THR 683 Ca 0.12 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1ddj s THR 683 Cb -0.12 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1ddj s THR 683 CO 0.03 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1ddj n GLY 684 N 0.52 -0.34 0.03 3.99 0.00 -0.79 -4.27 105.19 104.33 1ddj n GLY 684 Ca -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 1ddj n GLY 684 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ddj n TRP 685 N -1.18 0.11 -2.33 1.61 8.01 -1.26 -1.17 117.44 121.22 1ddj n TRP 685 Ca 0.00 0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 1ddj n TRP 685 Cb 0.00 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.03 1ddj n TRP 685 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ddj n GLY 686 N 1.55 0.44 3.54 6.99 0.00 -1.26 -4.37 105.19 112.08 1ddj n GLY 686 Ca -0.04 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1ddj n GLY 686 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ddj s GLU 687 N 0.00 3.32 -0.57 1.61 8.01 -1.26 -4.92 118.70 124.89 1ddj s GLU 687 Ca 0.00 -0.18 -0.27 0.00 0.01 0.00 0.00 54.97 54.53 1ddj s GLU 687 Cb 0.00 -4.10 0.00 0.00 -4.31 0.00 0.00 34.13 25.73 1ddj s GLU 687 CO 0.00 -1.76 1.55 0.99 0.01 0.00 0.00 175.26 176.05 1ddj s THR 688 N 4.73 3.64 0.63 3.63 2.01 -1.26 -4.84 115.64 124.18 1ddj s THR 688 Ca 0.34 0.50 0.37 0.00 0.31 0.00 0.00 61.69 63.21 1ddj s THR 688 Cb -0.10 -4.28 0.40 0.00 0.01 0.00 0.00 72.50 68.52 1ddj s THR 688 CO 0.19 -1.10 2.27 1.56 -0.69 0.00 0.00 174.62 176.85 1ddj h GLN 689 N 12.15 0.00 0.00 4.92 1.08 -1.96 -3.39 115.11 127.91 1ddj h GLN 689 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1ddj h GLN 689 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1ddj h GLN 689 CO 1.18 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.47 1ddj n GLY 690 N -1.21 0.61 0.00 3.46 0.00 -1.26 -5.05 105.19 101.73 1ddj n GLY 690 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ddj n GLY 690 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ddj n THR 691 N 0.00 0.00 -3.06 2.61 -1.04 -1.26 -5.00 114.28 106.53 1ddj n THR 691 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1ddj n THR 691 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1ddj n THR 691 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ddj s PHE 692 N 0.00 3.08 0.00 -1.42 0.08 -1.26 -3.26 117.98 115.20 1ddj s PHE 692 Ca 0.00 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1ddj s PHE 692 Cb 0.00 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1ddj s PHE 692 CO 0.00 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 1ddj n GLY 693 N 4.83 0.72 3.75 4.36 0.00 -1.26 -4.96 105.19 112.64 1ddj n GLY 693 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1ddj n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj s ALA 694 N -2.00 3.57 0.00 4.61 0.00 -1.20 -2.39 121.76 124.35 1ddj s ALA 694 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1ddj s ALA 694 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1ddj s ALA 694 CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1ddj n GLY 695 N 1.69 1.36 3.67 0.00 0.00 -1.26 -5.03 105.19 105.62 1ddj n GLY 695 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1ddj n GLY 695 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddj s LEU 696 N 0.00 3.26 0.23 0.99 1.43 -1.00 0.21 118.68 123.79 1ddj s LEU 696 Ca 0.00 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1ddj s LEU 696 Cb 0.00 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 1ddj s LEU 696 CO 0.00 -0.01 1.44 -0.22 0.23 0.00 0.00 176.35 177.79 1ddj s LEU 697 N -3.70 4.39 0.34 1.79 2.96 -0.50 -4.66 118.68 119.29 1ddj s LEU 697 Ca 0.32 2.62 0.09 0.00 -0.22 0.00 0.00 54.13 56.93 1ddj s LEU 697 Cb -0.06 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1ddj s LEU 697 CO 0.20 -0.70 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.92 1ddj s LYS 698 N -0.06 1.77 0.09 1.98 1.02 -0.31 -0.81 119.74 123.41 1ddj s LYS 698 Ca 0.61 -1.92 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1ddj s LYS 698 Cb -0.41 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1ddj s LYS 698 CO 0.40 0.10 0.02 -1.83 -0.92 0.00 0.00 175.35 173.13 1ddj s GLU 699 N -3.65 0.77 -0.15 1.68 -1.05 0.40 -1.89 118.70 114.81 1ddj s GLU 699 Ca 0.32 -1.30 -0.11 0.00 -0.15 0.00 0.00 54.97 53.73 1ddj s GLU 699 Cb 0.03 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 34.00 1ddj s GLU 699 CO 0.16 -0.19 0.39 0.00 0.95 0.00 0.00 175.26 176.56 1ddj s ALA 700 N -3.97 -0.97 -0.18 -0.84 0.00 -0.85 -0.85 121.76 114.10 1ddj s ALA 700 Ca 0.14 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 1ddj s ALA 700 Cb 0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1ddj s ALA 700 CO -0.05 -0.22 0.58 -1.14 0.00 0.00 0.00 175.76 174.94 1ddj s GLN 701 N 0.74 4.23 -0.10 0.00 0.74 -1.26 -1.87 119.66 122.15 1ddj s GLN 701 Ca -0.04 0.55 -0.01 0.00 0.05 0.00 0.00 55.36 55.91 1ddj s GLN 701 Cb -0.05 -3.55 0.03 0.00 1.10 0.00 0.00 33.01 30.53 1ddj s GLN 701 CO -0.05 -0.15 -0.05 -0.51 -0.55 0.00 0.00 175.29 173.98 1ddj s LEU 702 N 1.62 0.99 0.30 3.68 1.43 0.30 -4.69 118.68 122.32 1ddj s LEU 702 Ca 0.27 -0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 52.94 1ddj s LEU 702 Cb -0.16 -0.70 -0.09 0.00 0.03 0.00 0.00 46.19 45.28 1ddj s LEU 702 CO 0.11 -0.14 0.83 -2.16 0.23 0.00 0.00 176.35 175.22 1ddj s PRO 703 N 1.76 4.34 0.37 1.29 0.04 -1.26 -1.56 135.00 139.96 1ddj s PRO 703 Ca 0.04 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.87 1ddj s PRO 703 Cb -0.13 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 1ddj s PRO 703 CO -0.07 0.27 1.04 0.14 0.04 0.00 0.00 177.00 178.42 1ddj s VAL 704 N -1.70 3.77 -0.24 -0.36 -7.23 -0.19 -0.22 120.40 114.23 1ddj s VAL 704 Ca 0.49 1.44 -0.00 0.00 -1.81 0.00 0.00 61.98 62.10 1ddj s VAL 704 Cb -0.16 -3.79 0.03 0.00 0.56 0.00 0.00 36.38 33.03 1ddj s VAL 704 CO 0.20 0.09 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.37 1ddj s ILE 705 N -1.57 2.64 0.30 -0.62 1.01 0.30 0.21 121.20 123.47 1ddj s ILE 705 Ca 0.54 -1.12 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 1ddj s ILE 705 Cb -0.23 -2.34 -0.13 0.00 0.01 0.00 0.00 42.46 39.76 1ddj s ILE 705 CO 0.29 0.20 1.17 -1.84 0.00 0.00 0.00 174.94 174.77 1ddj n GLU 706 N 4.62 1.74 -0.31 2.79 0.28 -1.26 -3.87 120.64 124.62 1ddj n GLU 706 Ca -0.17 0.61 0.16 0.00 -0.16 0.00 0.00 57.16 57.60 1ddj n GLU 706 Cb 0.47 -2.10 0.34 0.00 1.43 0.00 0.00 31.44 31.57 1ddj n GLU 706 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1ddj h ASN 707 N 2.49 0.07 -0.69 -1.84 -0.26 -1.93 -0.63 115.58 112.78 1ddj h ASN 707 Ca -0.43 0.20 0.12 0.00 -0.56 0.00 0.00 56.30 55.64 1ddj h ASN 707 Cb 1.31 0.26 -0.09 0.00 -1.06 0.00 0.00 38.32 38.74 1ddj h ASN 707 CO 0.63 -0.18 0.26 0.11 -1.06 0.00 0.00 177.43 177.19 1ddj h LYS 708 N 0.21 0.41 0.22 0.81 1.57 -1.96 -0.22 116.57 117.61 1ddj h LYS 708 Ca 0.60 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 59.03 1ddj h LYS 708 Cb 1.27 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 33.52 1ddj h LYS 708 CO -0.67 0.27 -1.46 0.28 -0.57 0.00 0.00 179.45 177.29 1ddj h VAL 709 N 0.42 1.29 -0.31 0.50 2.07 -1.51 -3.29 116.25 115.42 1ddj h VAL 709 Ca 0.37 -2.76 0.01 0.00 0.82 0.00 0.00 66.70 65.14 1ddj h VAL 709 Cb 0.52 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1ddj h VAL 709 CO -0.37 0.83 0.21 0.00 0.02 0.00 0.00 177.57 178.26 1ddj n ASN 711 N -4.49 0.07 -4.69 0.00 5.03 -0.13 -0.90 115.26 110.15 1ddj n ASN 711 Ca 0.02 -0.76 -0.38 0.00 0.87 0.00 0.00 54.58 54.33 1ddj n ASN 711 Cb 0.09 -0.08 0.06 0.00 -1.02 0.00 0.00 39.78 38.83 1ddj n ASN 711 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ddj n ARG 712 N -1.04 1.17 -0.32 3.52 1.74 -0.58 0.32 116.66 121.47 1ddj n ARG 712 Ca 0.21 0.45 0.12 0.00 -0.77 0.00 0.00 57.85 57.86 1ddj n ARG 712 Cb 0.16 -2.40 0.26 0.00 -1.02 0.00 0.00 32.46 29.46 1ddj n ARG 712 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1ddj h TYR 713 N 0.73 0.01 0.00 -1.55 3.20 -1.90 0.14 116.97 117.60 1ddj h TYR 713 Ca -0.50 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1ddj h TYR 713 Cb 1.34 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.76 1ddj h TYR 713 CO 0.41 -0.36 0.00 -0.85 -1.64 0.00 0.00 178.16 175.71 1ddj n GLU 714 N -5.42 0.12 0.00 1.82 0.00 -1.26 -4.22 120.64 111.69 1ddj n GLU 714 Ca 0.21 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.54 1ddj n GLU 714 Cb 0.69 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.63 1ddj n GLU 714 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1ddj n PHE 715 N -1.39 0.00 1.37 -1.84 0.99 0.45 -4.94 117.46 112.09 1ddj n PHE 715 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.65 1ddj n PHE 715 Cb 0.17 0.00 0.44 0.00 -1.00 0.00 0.00 39.48 39.09 1ddj n PHE 715 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1ddj n LEU 716 N 0.00 1.37 -4.09 4.37 7.99 -0.08 -4.97 117.00 121.59 1ddj n LEU 716 Ca 0.00 -0.43 -0.28 0.00 -0.01 0.00 0.00 56.01 55.29 1ddj n LEU 716 Cb 0.00 -0.05 -0.05 0.00 -0.11 0.00 0.00 43.42 43.21 1ddj n LEU 716 CO 0.00 0.24 -0.32 -3.20 -1.51 0.00 0.00 177.39 172.60 1ddj n ASN 717 N -0.12 -0.10 -0.15 -1.43 2.85 -0.88 -1.73 115.26 113.70 1ddj n ASN 717 Ca 0.16 -1.12 -0.02 0.00 -0.11 0.00 0.00 54.58 53.49 1ddj n ASN 717 Cb 0.36 -2.46 -0.01 0.00 1.24 0.00 0.00 39.78 38.92 1ddj n ASN 717 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddj n GLY 718 N -2.21 0.43 0.00 8.20 0.00 0.15 -4.91 105.19 106.85 1ddj n GLY 718 Ca -0.31 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1ddj n GLY 718 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddj n ARG 719 N -1.38 0.00 -2.89 1.61 1.74 -0.71 -4.81 116.66 110.22 1ddj n ARG 719 Ca -0.02 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 1ddj n ARG 719 Cb 0.26 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.15 1ddj n ARG 719 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ddj s VAL 720 N -3.00 4.64 0.63 1.55 1.01 -1.26 -5.06 120.40 118.91 1ddj s VAL 720 Ca 0.12 0.90 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1ddj s VAL 720 Cb 0.18 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.38 1ddj s VAL 720 CO 0.66 -0.56 0.86 0.00 0.00 0.00 0.00 175.10 176.06 1ddj n GLN 721 N 6.68 0.18 0.28 2.72 1.13 -1.26 -4.96 117.38 122.15 1ddj n GLN 721 Ca 0.05 -2.63 0.17 0.00 -1.94 0.00 0.00 57.00 52.64 1ddj n GLN 721 Cb 0.48 -0.48 0.93 0.00 0.11 0.00 0.00 30.24 31.28 1ddj n GLN 721 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1ddj h SER 722 N -0.33 0.00 -0.24 1.08 4.64 -2.01 -0.70 113.55 115.99 1ddj h SER 722 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1ddj h SER 722 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ddj h SER 722 CO 0.34 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.65 1ddj n THR 723 N -3.73 0.66 -4.23 2.95 -2.24 -1.26 -4.84 114.28 101.59 1ddj n THR 723 Ca -0.02 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1ddj n THR 723 Cb 0.15 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 1ddj n THR 723 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ddj s GLU 724 N -1.64 1.18 0.05 -0.78 8.01 -0.27 -1.33 118.70 123.93 1ddj s GLU 724 Ca 0.19 -1.61 -0.14 0.00 0.01 0.00 0.00 54.97 53.42 1ddj s GLU 724 Cb 0.12 0.03 0.02 0.00 -4.31 0.00 0.00 34.13 29.99 1ddj s GLU 724 CO 0.09 -0.29 0.32 -0.48 0.01 0.00 0.00 175.26 174.91 1ddj s LEU 725 N -3.18 0.83 -0.05 1.80 0.05 0.21 -4.60 118.68 113.74 1ddj s LEU 725 Ca 0.33 -0.21 0.02 0.00 0.05 0.00 0.00 54.13 54.32 1ddj s LEU 725 Cb 0.07 1.41 -0.03 0.00 -2.05 0.00 0.00 46.19 45.59 1ddj s LEU 725 CO 0.09 -0.64 -0.10 0.00 -0.55 0.00 0.00 176.35 175.15 1ddj s ALA 727 N -0.82 -0.43 0.00 0.00 0.00 -1.13 -0.54 121.76 118.85 1ddj s ALA 727 Ca 0.13 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1ddj s ALA 727 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1ddj s ALA 727 CO 0.02 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1ddj n GLY 728 N 4.71 0.34 3.40 0.00 0.00 0.69 -3.61 105.19 110.73 1ddj n GLY 728 Ca -0.17 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1ddj n GLY 728 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ddj s HIS 729 N -3.94 2.41 -0.44 1.61 3.76 -1.26 -4.26 115.29 113.16 1ddj s HIS 729 Ca 0.00 -0.34 0.23 0.00 -0.15 0.00 0.00 55.06 54.80 1ddj s HIS 729 Cb 0.00 -1.38 0.21 0.00 1.11 0.00 0.00 32.58 32.51 1ddj s HIS 729 CO 0.00 0.23 1.25 -0.07 -0.85 0.00 0.00 174.74 175.30 1ddj h LEU 730 N 4.45 0.00 -7.28 0.89 3.38 -1.88 -3.17 115.31 111.70 1ddj h LEU 730 Ca -0.48 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 1ddj h LEU 730 Cb 1.15 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.66 1ddj h LEU 730 CO 0.44 0.04 -0.22 0.00 0.09 0.00 0.00 178.44 178.80 1ddj s ALA 731 N -3.26 -1.07 -0.53 1.53 0.00 -1.26 -4.27 121.76 112.91 1ddj s ALA 731 Ca 0.04 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.24 1ddj s ALA 731 Cb 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1ddj s ALA 731 CO 0.74 -0.21 0.09 0.41 0.00 0.00 0.00 175.76 176.79 1ddj n GLY 732 N 2.98 0.19 3.97 0.00 0.00 -0.46 -4.97 105.19 106.90 1ddj n GLY 732 Ca -0.14 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1ddj n GLY 732 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ddj s GLY 733 N -2.80 1.81 0.73 -0.02 0.00 0.14 -4.97 107.32 102.22 1ddj s GLY 733 Ca 0.04 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.34 1ddj s GLY 733 CO 0.06 -1.00 1.09 -1.08 0.00 0.00 0.00 173.10 172.16 1ddj s THR 734 N -2.83 3.42 -0.57 0.90 -1.32 -1.26 -3.93 115.64 110.05 1ddj s THR 734 Ca 0.58 0.46 -0.02 0.00 -1.21 0.00 0.00 61.69 61.51 1ddj s THR 734 Cb -0.10 -3.35 0.15 0.00 -1.51 0.00 0.00 72.50 67.69 1ddj s THR 734 CO 0.39 -0.60 0.36 -0.62 -2.21 0.00 0.00 174.62 171.94 1ddj s ASP 735 N -4.15 5.08 0.00 8.08 3.68 -1.26 -2.74 116.67 125.36 1ddj s ASP 735 Ca 0.59 -2.73 0.00 0.00 2.13 0.00 0.00 52.55 52.53 1ddj s ASP 735 Cb -0.12 -1.81 0.00 0.00 -1.45 0.00 0.00 42.92 39.54 1ddj s ASP 735 CO 0.53 -0.37 0.00 -1.54 0.13 0.00 0.00 175.17 173.92 1ddj n SER 736 N 3.62 0.00 -4.64 -0.34 3.41 -1.00 -5.00 113.62 109.68 1ddj n SER 736 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 1ddj n SER 736 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1ddj n SER 736 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddj s GLN 738 N 3.16 3.55 3.16 0.00 -0.21 -1.26 -4.81 119.66 123.24 1ddj s GLN 738 Ca 0.39 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1ddj s GLN 738 Cb -0.14 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.28 1ddj s GLN 738 CO 0.10 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 1ddj n GLY 739 N -1.64 0.29 3.45 3.09 0.00 -1.26 -4.80 105.19 104.32 1ddj n GLY 739 Ca -0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1ddj n GLY 739 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ddj s ASP 740 N -4.00 3.75 0.32 1.61 1.01 -1.26 -3.98 116.67 114.12 1ddj s ASP 740 Ca 0.00 -0.51 -0.29 0.00 0.71 0.00 0.00 52.55 52.47 1ddj s ASP 740 Cb 0.00 -0.54 -0.12 0.00 1.01 0.00 0.00 42.92 43.27 1ddj s ASP 740 CO 0.00 0.22 1.35 0.00 0.21 0.00 0.00 175.17 176.96 1ddj n ALA 741 N 1.27 1.45 0.00 5.23 0.00 -1.26 0.53 120.51 127.73 1ddj n ALA 741 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ddj n ALA 741 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1ddj n ALA 741 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ddj n GLY 742 N 1.14 2.48 3.67 0.00 0.00 0.15 -0.99 105.19 111.65 1ddj n GLY 742 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1ddj n GLY 742 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ddj s GLY 743 N -1.92 1.67 0.48 -0.02 0.00 0.19 -3.33 107.32 104.39 1ddj s GLY 743 Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 44.72 45.11 1ddj s GLY 743 CO 0.00 0.89 0.81 2.56 0.00 0.00 0.00 173.10 177.36 1ddj s PRO 744 N -4.68 3.58 -0.23 2.90 0.04 -1.26 -0.39 135.00 134.97 1ddj s PRO 744 Ca 0.66 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 1ddj s PRO 744 Cb -0.22 -2.35 0.07 0.00 0.04 0.00 0.00 34.50 32.05 1ddj s PRO 744 CO 0.58 -0.22 0.07 -1.17 0.04 0.00 0.00 177.00 176.31 1ddj s LEU 745 N -4.66 1.09 0.04 -3.56 2.96 -0.50 -2.78 118.68 111.27 1ddj s LEU 745 Ca 0.49 -1.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 1ddj s LEU 745 Cb -0.10 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 1ddj s LEU 745 CO 0.44 -0.36 -0.07 0.68 -1.32 0.00 0.00 176.35 175.72 1ddj s VAL 746 N 1.91 3.57 -0.06 1.68 -7.23 -0.29 -1.76 120.40 118.22 1ddj s VAL 746 Ca 0.03 -0.95 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1ddj s VAL 746 Cb -0.17 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1ddj s VAL 746 CO -0.16 0.29 -0.15 0.00 -0.31 0.00 0.00 175.10 174.77 1ddj s PHE 748 N 0.47 3.43 0.00 0.00 5.36 -1.25 -0.87 117.98 125.12 1ddj s PHE 748 Ca -0.12 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1ddj s PHE 748 Cb -0.15 -3.40 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 1ddj s PHE 748 CO 0.04 -0.96 0.00 -1.91 -1.46 0.00 0.00 175.22 170.92 1ddj n GLU 749 N 1.27 0.00 -0.03 10.12 2.13 -0.08 -4.90 120.64 129.15 1ddj n GLU 749 Ca -0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1ddj n GLU 749 Cb 0.44 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.15 1ddj n GLU 749 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1ddj h LYS 750 N 0.00 0.00 0.00 5.31 1.57 -2.02 -3.44 116.57 117.99 1ddj h LYS 750 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ddj h LYS 750 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ddj h LYS 750 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 1ddj n ASP 751 N -3.43 0.77 -3.83 0.86 3.85 -1.26 -5.09 116.55 108.42 1ddj n ASP 751 Ca -0.01 -1.36 -0.09 0.00 -0.71 0.00 0.00 54.79 52.62 1ddj n ASP 751 Cb 0.05 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.76 1ddj n ASP 751 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1ddj s LYS 752 N -0.36 1.00 -0.10 0.11 -2.85 -1.26 -4.81 119.74 111.47 1ddj s LYS 752 Ca 0.00 -0.95 -0.19 0.00 -1.00 0.00 0.00 55.97 53.82 1ddj s LYS 752 Cb 0.00 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1ddj s LYS 752 CO 0.00 -0.36 0.53 0.71 0.10 0.00 0.00 175.35 176.34 1ddj s TYR 753 N -3.88 3.53 -0.13 1.78 1.51 -0.21 -0.90 117.35 119.05 1ddj s TYR 753 Ca 0.08 0.98 -0.02 0.00 -1.01 0.00 0.00 57.07 57.10 1ddj s TYR 753 Cb 0.03 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1ddj s TYR 753 CO -0.08 0.15 -0.05 0.42 -1.11 0.00 0.00 175.55 174.88 1ddj s ILE 754 N 0.65 3.78 -0.44 2.71 -1.09 -0.05 -3.24 121.20 123.52 1ddj s ILE 754 Ca 0.29 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 1ddj s ILE 754 Cb -0.16 -2.62 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1ddj s ILE 754 CO 0.12 0.52 1.27 -0.22 -1.23 0.00 0.00 174.94 175.40 1ddj s LEU 755 N 0.08 3.63 -0.00 2.97 2.96 -0.43 -1.09 118.68 126.79 1ddj s LEU 755 Ca -0.01 0.68 0.11 0.00 -0.22 0.00 0.00 54.13 54.69 1ddj s LEU 755 Cb -0.14 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 1ddj s LEU 755 CO 0.03 -1.32 0.40 0.00 -1.32 0.00 0.00 176.35 174.14 1ddj n GLN 756 N 7.91 2.40 -3.79 1.98 1.13 -0.72 -4.24 117.38 122.05 1ddj n GLN 756 Ca 0.14 -0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 55.04 1ddj n GLN 756 Cb 0.48 -1.10 -0.09 0.00 0.11 0.00 0.00 30.24 29.64 1ddj n GLN 756 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ddj s GLY 757 N -2.44 -0.10 -0.04 1.08 0.00 -0.95 -1.54 107.32 103.33 1ddj s GLY 757 Ca 0.02 0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.98 1ddj s GLY 757 CO 0.46 0.02 -0.12 0.14 0.00 0.00 0.00 173.10 173.61 1ddj s VAL 758 N -1.32 3.29 -0.05 1.40 1.01 -0.66 -1.41 120.40 122.66 1ddj s VAL 758 Ca -0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1ddj s VAL 758 Cb -0.06 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1ddj s VAL 758 CO 0.03 0.54 1.13 -0.89 0.00 0.00 0.00 175.10 175.91 1ddj s THR 759 N -0.81 4.43 -0.23 3.92 2.01 0.48 -1.68 115.64 123.76 1ddj s THR 759 Ca 0.13 1.74 -0.04 0.00 0.31 0.00 0.00 61.69 63.82 1ddj s THR 759 Cb -0.11 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.37 1ddj s THR 759 CO 0.02 0.03 0.12 -0.55 -0.69 0.00 0.00 174.62 173.56 1ddj s SER 760 N 1.27 2.76 0.53 3.53 0.15 -1.26 -0.67 113.70 120.01 1ddj s SER 760 Ca 0.54 -0.88 0.31 0.00 0.70 0.00 0.00 55.95 56.62 1ddj s SER 760 Cb -0.23 -0.23 1.43 0.00 -1.71 0.00 0.00 66.02 65.28 1ddj s SER 760 CO 0.23 -0.39 2.03 -0.50 1.20 0.00 0.00 173.24 175.81 1ddj h TRP 761 N 8.40 0.00 0.00 3.44 6.55 -1.88 -2.37 115.95 130.10 1ddj h TRP 761 Ca -0.17 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.61 1ddj h TRP 761 Cb 1.09 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.38 1ddj h TRP 761 CO 0.21 0.09 -0.29 0.78 -1.05 0.00 0.00 178.44 178.18 1ddj h GLY 762 N 1.37 0.00 2.00 1.49 0.00 -1.94 -2.25 103.07 103.74 1ddj h GLY 762 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ddj h GLY 762 CO 0.01 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.80 1ddj h LEU 763 N 0.00 0.00 0.00 3.11 3.38 -1.70 -3.48 115.31 116.63 1ddj h LEU 763 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ddj h LEU 763 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ddj h LEU 763 CO 0.04 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1ddj n GLY 764 N 0.21 3.94 3.92 0.83 0.00 -0.84 -4.53 105.19 108.72 1ddj n GLY 764 Ca 0.01 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1ddj n GLY 764 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj n ALA 766 N -1.13 0.82 -2.21 0.00 0.00 -1.15 -4.45 120.51 112.39 1ddj n ALA 766 Ca -0.03 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1ddj n ALA 766 Cb 0.54 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.70 1ddj n ALA 766 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ddj s ARG 767 N -2.22 1.05 0.29 0.00 0.52 0.77 -2.36 118.95 116.99 1ddj s ARG 767 Ca 0.64 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 1ddj s ARG 767 Cb -0.51 -0.09 0.74 0.00 0.52 0.00 0.00 34.95 35.61 1ddj s ARG 767 CO 0.56 -0.18 1.69 -1.35 0.02 0.00 0.00 175.30 176.05 1ddj h PRO 768 N 2.75 0.38 -0.22 3.54 0.11 -1.68 -2.75 132.00 134.14 1ddj h PRO 768 Ca -0.36 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.54 1ddj h PRO 768 Cb 1.20 -0.09 -0.21 0.00 0.11 0.00 0.00 31.00 32.01 1ddj h PRO 768 CO 0.61 0.25 -0.73 0.09 -0.21 0.00 0.00 178.00 178.01 1ddj n ASN 769 N -5.05 2.32 -3.72 -2.05 3.02 -1.26 0.26 115.26 108.78 1ddj n ASN 769 Ca 0.23 -3.34 -0.14 0.00 -0.03 0.00 0.00 54.58 51.30 1ddj n ASN 769 Cb 0.67 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 1ddj n ASN 769 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ddj s LYS 770 N -2.76 0.12 0.49 3.52 3.01 -1.04 -4.72 119.74 118.35 1ddj s LYS 770 Ca 0.39 0.48 -0.11 0.00 -1.01 0.00 0.00 55.97 55.72 1ddj s LYS 770 Cb 0.38 -0.17 -0.06 0.00 -1.01 0.00 0.00 37.83 36.97 1ddj s LYS 770 CO -0.06 -0.20 0.88 -1.25 0.51 0.00 0.00 175.35 175.23 1ddj s PRO 771 N 1.48 3.74 0.49 -1.68 0.04 -1.20 -0.16 135.00 137.70 1ddj s PRO 771 Ca -0.06 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 61.38 1ddj s PRO 771 Cb -0.11 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 1ddj s PRO 771 CO -0.07 -0.23 1.00 0.20 0.04 0.00 0.00 177.00 177.94 1ddj s GLY 772 N -3.53 2.31 -0.08 0.56 0.00 -1.24 -4.62 107.32 100.73 1ddj s GLY 772 Ca 0.53 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1ddj s GLY 772 CO 0.38 0.70 -0.06 0.14 0.00 0.00 0.00 173.10 174.27 1ddj s VAL 773 N -2.26 3.77 0.17 1.40 1.01 -0.67 -2.82 120.40 120.99 1ddj s VAL 773 Ca 0.63 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1ddj s VAL 773 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1ddj s VAL 773 CO 0.23 0.59 -0.22 -0.31 0.00 0.00 0.00 175.10 175.39 1ddj s TYR 774 N -0.69 2.07 -0.03 5.22 1.51 0.90 -4.40 117.35 121.93 1ddj s TYR 774 Ca 0.10 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1ddj s TYR 774 Cb -0.11 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1ddj s TYR 774 CO 0.02 0.41 1.28 0.08 -1.11 0.00 0.00 175.55 176.22 1ddj s VAL 775 N -1.75 4.04 -0.59 0.71 1.01 -0.68 -0.62 120.40 122.52 1ddj s VAL 775 Ca 0.17 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.26 1ddj s VAL 775 Cb -0.07 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1ddj s VAL 775 CO 0.08 -0.00 1.41 -0.60 0.00 0.00 0.00 175.10 175.99 1ddj s ARG 776 N 2.27 3.26 0.29 2.72 3.52 -0.44 -1.65 118.95 128.93 1ddj s ARG 776 Ca 0.59 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.60 1ddj s ARG 776 Cb -0.27 -4.14 0.70 0.00 -1.56 0.00 0.00 34.95 29.68 1ddj s ARG 776 CO 0.24 -1.99 1.77 0.28 -0.81 0.00 0.00 175.30 174.79 1ddj h VAL 777 N 6.35 0.71 -0.27 7.11 2.07 -1.59 -2.70 116.25 127.92 1ddj h VAL 777 Ca -0.27 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.08 1ddj h VAL 777 Cb 1.09 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ddj h VAL 777 CO 1.19 0.13 0.33 0.77 0.02 0.00 0.00 177.57 180.01 1ddj h SER 778 N 0.73 0.00 0.34 0.57 4.64 -1.84 -0.15 113.55 117.84 1ddj h SER 778 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1ddj h SER 778 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1ddj h SER 778 CO -0.38 0.00 -0.11 0.54 -0.87 0.00 0.00 176.83 176.01 1ddj n ARG 779 N -3.67 0.73 0.00 4.77 5.12 -1.02 0.21 116.66 122.81 1ddj n ARG 779 Ca 0.04 -0.26 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1ddj n ARG 779 Cb 0.47 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1ddj n ARG 779 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ddj n PHE 780 N -0.91 0.00 0.10 -1.55 3.01 -0.09 -4.76 117.46 113.26 1ddj n PHE 780 Ca 0.15 -0.36 -0.13 0.00 1.01 0.00 0.00 57.45 58.11 1ddj n PHE 780 Cb 0.28 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 1ddj n PHE 780 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ddj h VAL 781 N 0.39 0.92 -0.98 -4.37 2.07 -1.57 0.15 116.25 112.86 1ddj h VAL 781 Ca 0.00 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1ddj h VAL 781 Cb 0.50 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1ddj h VAL 781 CO 0.00 0.05 0.61 0.74 0.02 0.00 0.00 177.57 179.00 1ddj h THR 782 N -0.29 0.95 -0.33 2.57 2.02 -1.85 0.73 112.91 116.70 1ddj h THR 782 Ca -0.02 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1ddj h THR 782 Cb 0.23 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1ddj h THR 782 CO 0.03 0.18 -0.05 -0.25 0.37 0.00 0.00 175.52 175.80 1ddj h TRP 783 N 1.01 0.69 -0.60 3.16 7.01 -1.77 -2.34 115.95 123.10 1ddj h TRP 783 Ca 0.47 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 1ddj h TRP 783 Cb 0.41 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1ddj h TRP 783 CO -0.01 0.78 0.32 0.82 -2.79 0.00 0.00 178.44 177.55 1ddj h ILE 784 N 0.41 1.20 -0.93 2.65 2.04 0.31 -2.42 117.51 120.78 1ddj h ILE 784 Ca 0.09 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1ddj h ILE 784 Cb 0.53 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1ddj h ILE 784 CO 0.03 0.22 0.60 -0.33 0.00 0.00 0.00 178.15 178.67 1ddj h GLU 785 N 0.82 1.15 0.01 2.37 5.08 -0.81 -1.70 114.58 121.50 1ddj h GLU 785 Ca 0.21 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ddj h GLU 785 Cb 0.07 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1ddj h GLU 785 CO -0.03 0.76 -0.01 0.78 -1.00 0.00 0.00 179.01 179.51 1ddj h GLY 786 N 1.18 -0.02 0.87 -3.84 0.00 -1.03 -0.31 103.07 99.93 1ddj h GLY 786 Ca 0.36 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1ddj h GLY 786 CO -0.11 -0.01 0.01 -2.08 0.00 0.00 0.00 176.54 174.35 1ddj h VAL 787 N -0.19 0.94 -0.57 4.60 2.07 -1.22 -0.40 116.25 121.48 1ddj h VAL 787 Ca -0.00 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1ddj h VAL 787 Cb 0.19 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1ddj h VAL 787 CO 0.00 0.01 0.38 0.24 0.02 0.00 0.00 177.57 178.22 1ddj h MET 788 N 0.04 0.57 -0.00 1.57 2.07 -1.27 -0.93 114.93 116.99 1ddj h MET 788 Ca 0.04 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1ddj h MET 788 Cb 0.05 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 1ddj h MET 788 CO -0.07 0.38 -0.08 -2.13 1.07 0.00 0.00 176.91 176.08 1ddj n ARG 789 N -4.47 0.13 -0.08 1.72 0.63 -0.13 -3.63 116.66 110.83 1ddj n ARG 789 Ca 0.07 -0.02 0.04 0.00 -0.92 0.00 0.00 57.85 57.03 1ddj n ARG 789 Cb 0.20 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 31.67 1ddj n ARG 789 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ddj n ASN 790 N -1.42 1.77 0.00 6.15 3.02 -0.24 -5.05 115.26 119.49 1ddj n ASN 790 Ca 0.09 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 1ddj n ASN 790 Cb 0.32 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1ddj n ASN 790 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23