#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 2.75 0.67 0.66 0.40 -1.26 -5.11 117.98 116.09 1ddj s PHE 546 Ca 0.00 -1.70 -0.14 0.00 -0.60 0.00 0.00 56.93 54.48 1ddj s PHE 546 Cb 0.00 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.69 1ddj s PHE 546 CO 0.00 -0.80 1.11 -0.51 0.70 0.00 0.00 175.22 175.72 1ddj s ASP 547 N 1.29 5.02 0.79 1.36 1.11 -1.26 -4.89 116.67 120.10 1ddj s ASP 547 Ca 0.02 1.99 -0.11 0.00 0.18 0.00 0.00 52.55 54.63 1ddj s ASP 547 Cb -0.14 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.37 1ddj s ASP 547 CO -0.11 -1.69 1.11 0.00 1.18 0.00 0.00 175.17 175.66 1ddj n GLY 549 N -0.74 0.23 3.06 0.00 0.00 -0.69 -4.62 105.19 102.42 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 -1.01 2.26 0.61 1.61 1.02 -1.24 -0.90 119.74 122.09 1ddj s LYS 550 Ca 0.00 -2.39 -0.18 0.00 0.02 0.00 0.00 55.97 53.42 1ddj s LYS 550 Cb 0.00 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1ddj s LYS 550 CO 0.00 -1.13 1.17 -1.25 -0.92 0.00 0.00 175.35 173.23 1ddj s PRO 551 N 0.14 2.93 0.11 -1.68 0.04 -1.26 -4.89 135.00 130.39 1ddj s PRO 551 Ca 0.15 1.69 0.12 0.00 0.04 0.00 0.00 61.00 63.01 1ddj s PRO 551 Cb -0.22 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1ddj s PRO 551 CO -0.03 -1.20 1.08 1.96 0.04 0.00 0.00 177.00 178.85 1ddj h GLN 552 N 0.68 0.00 -4.96 4.56 1.08 -1.81 -3.43 115.11 111.23 1ddj h GLN 552 Ca -0.49 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.07 1ddj h GLN 552 Cb 1.28 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.53 1ddj h GLN 552 CO 0.55 0.61 -0.55 0.08 -0.95 0.00 0.00 178.83 178.56 1ddj s VAL 553 N -2.79 4.99 -0.01 -0.54 1.01 -1.26 -5.04 120.40 116.75 1ddj s VAL 553 Ca -0.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1ddj s VAL 553 Cb 0.09 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 1ddj s VAL 553 CO 0.80 0.30 1.99 1.21 0.00 0.00 0.00 175.10 179.40 1ddj n GLU 554 N 4.85 2.66 -1.77 2.72 4.07 -1.26 -4.32 120.64 127.59 1ddj n GLU 554 Ca -0.15 0.95 -0.40 0.00 -0.06 0.00 0.00 57.16 57.50 1ddj n GLU 554 Cb 0.52 -2.98 0.01 0.00 -0.06 0.00 0.00 31.44 28.93 1ddj n GLU 554 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1ddj n PRO 555 N 7.56 2.36 -0.22 5.31 -0.02 -1.26 -4.86 135.00 143.87 1ddj n PRO 555 Ca 0.22 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.54 1ddj n PRO 555 Cb 0.39 -2.64 0.13 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.45 0.46 -3.80 -0.52 3.64 -1.91 -3.47 116.57 113.42 1ddj h LYS 556 Ca -0.51 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.79 1ddj h LYS 556 Cb 1.26 -0.10 0.04 0.00 -0.41 0.00 0.00 32.23 33.02 1ddj h LYS 556 CO 0.62 0.31 -0.19 1.17 -2.27 0.00 0.00 179.45 179.09 1ddj n LYS 557 N -4.95 -0.63 -1.67 1.90 4.81 -1.26 -4.92 118.16 111.43 1ddj n LYS 557 Ca 0.10 0.47 -0.52 0.00 -0.87 0.00 0.00 58.31 57.49 1ddj n LYS 557 Cb 0.29 -2.92 -0.06 0.00 0.02 0.00 0.00 35.03 32.36 1ddj n LYS 557 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ddj n PRO 559 N 6.35 1.30 0.17 0.00 -0.02 -1.26 -3.83 135.00 137.70 1ddj n PRO 559 Ca 0.26 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.37 1ddj n PRO 559 Cb 0.23 -1.89 0.79 0.00 -0.02 0.00 0.00 33.50 32.61 1ddj n PRO 559 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ddj h GLY 560 N 1.73 0.00 1.72 -1.23 0.00 -1.89 -0.03 103.07 103.37 1ddj h GLY 560 Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1ddj h GLY 560 CO 0.58 0.00 -0.02 0.07 0.00 0.00 0.00 176.54 177.17 1ddj h ARG 561 N 0.00 0.36 -5.86 4.80 0.11 -1.91 -3.32 114.38 108.57 1ddj h ARG 561 Ca 0.11 -0.07 -0.65 0.00 0.10 0.00 0.00 59.98 59.47 1ddj h ARG 561 Cb 0.59 -0.06 -0.08 0.00 1.11 0.00 0.00 29.97 31.53 1ddj h ARG 561 CO -0.00 0.41 2.09 0.08 0.10 0.00 0.00 179.97 182.65 1ddj s VAL 562 N -4.93 4.07 -1.57 0.08 1.01 -0.03 -4.73 120.40 114.30 1ddj s VAL 562 Ca -0.06 -1.77 0.13 0.00 0.00 0.00 0.00 61.98 60.27 1ddj s VAL 562 Cb 0.16 -5.15 0.26 0.00 0.00 0.00 0.00 36.38 31.64 1ddj s VAL 562 CO 0.74 -1.96 1.29 1.33 0.00 0.00 0.00 175.10 176.50 1ddj n VAL 563 N 6.52 0.51 1.01 2.92 0.24 -1.25 -1.84 118.33 126.44 1ddj n VAL 563 Ca 0.48 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 63.01 1ddj n VAL 563 Cb 0.46 -0.92 0.09 0.00 -1.47 0.00 0.00 33.84 32.01 1ddj n VAL 563 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ddj n GLY 564 N -0.21 -1.11 0.00 7.63 0.00 -1.26 -4.71 105.19 105.53 1ddj n GLY 564 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.50 -0.18 3.10 -0.02 0.00 -0.76 -5.03 105.19 103.78 1ddj n GLY 565 Ca 0.05 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.51 3.76 0.73 0.00 1.01 -1.26 -0.66 120.40 122.48 1ddj s VAL 567 Ca -0.14 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.12 1ddj s VAL 567 Cb -0.07 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ddj s VAL 567 CO 0.01 0.18 1.07 0.00 0.00 0.00 0.00 175.10 176.36 1ddj s ALA 568 N 0.39 2.49 -0.03 5.51 0.00 0.21 -4.86 121.76 125.46 1ddj s ALA 568 Ca 0.55 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1ddj s ALA 568 Cb -0.31 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1ddj s ALA 568 CO 0.33 -1.45 1.17 -1.01 0.00 0.00 0.00 175.76 174.80 1ddj s HIS 569 N -3.01 3.29 -0.05 0.00 3.76 -1.26 -4.91 115.29 113.11 1ddj s HIS 569 Ca 0.59 1.29 -0.39 0.00 -0.15 0.00 0.00 55.06 56.40 1ddj s HIS 569 Cb -0.15 -3.38 -0.18 0.00 1.11 0.00 0.00 32.58 29.98 1ddj s HIS 569 CO 0.55 -1.13 1.33 -2.30 -0.85 0.00 0.00 174.74 172.34 1ddj n PRO 570 N 4.86 0.66 -1.52 8.40 -0.02 -1.26 -1.97 135.00 144.15 1ddj n PRO 570 Ca 0.10 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1ddj n PRO 570 Cb 0.47 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.69 -0.11 1.34 6.00 8.25 -1.26 -4.90 115.22 127.23 1ddj n HIS 571 Ca 0.21 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.81 1ddj n HIS 571 Cb 0.12 -2.27 0.49 0.00 1.12 0.00 0.00 29.99 29.46 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 0.04 0.80 -3.29 0.41 3.41 -0.83 -3.94 113.62 110.22 1ddj n SER 572 Ca -0.12 -0.79 -0.25 0.00 -0.26 0.00 0.00 58.87 57.45 1ddj n SER 572 Cb 0.43 0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.74 1.23 0.18 7.33 7.02 -1.26 -4.55 117.44 126.66 1ddj n TRP 573 Ca 0.14 -3.80 0.08 0.00 -1.02 0.00 0.00 57.50 52.90 1ddj n TRP 573 Cb 0.32 -0.43 0.40 0.00 -2.42 0.00 0.00 31.31 29.18 1ddj n TRP 573 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1ddj n PRO 574 N 1.21 0.10 0.00 -0.99 -0.04 -1.25 -1.62 135.00 132.42 1ddj n PRO 574 Ca 0.25 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 1ddj n PRO 574 Cb 0.48 -1.79 0.30 0.00 -0.04 0.00 0.00 33.50 32.44 1ddj n PRO 574 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ddj n TRP 575 N -2.00 0.00 -1.89 0.54 2.14 -0.86 -2.36 117.44 113.01 1ddj n TRP 575 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1ddj n TRP 575 Cb 0.07 -0.12 -0.03 0.00 -0.81 0.00 0.00 31.31 30.42 1ddj n TRP 575 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ddj s GLN 576 N -2.58 4.19 0.05 -2.67 2.00 -0.64 -0.96 119.66 119.06 1ddj s GLN 576 Ca 0.21 2.41 0.07 0.00 -2.00 0.00 0.00 55.36 56.05 1ddj s GLN 576 Cb 0.19 -3.18 -0.03 0.00 0.80 0.00 0.00 33.01 30.78 1ddj s GLN 576 CO 0.56 -0.65 -0.16 0.08 -0.50 0.00 0.00 175.29 174.62 1ddj s VAL 577 N 1.29 2.92 -0.24 1.34 1.01 -0.82 -4.30 120.40 121.60 1ddj s VAL 577 Ca 0.71 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1ddj s VAL 577 Cb -0.45 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1ddj s VAL 577 CO 0.32 0.29 -0.13 -0.55 0.00 0.00 0.00 175.10 175.03 1ddj s SER 578 N -1.60 4.15 -0.18 3.32 0.15 -0.93 -2.47 113.70 116.15 1ddj s SER 578 Ca 0.16 -1.21 -0.23 0.00 0.70 0.00 0.00 55.95 55.37 1ddj s SER 578 Cb -0.11 -1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.64 1ddj s SER 578 CO 0.07 -0.15 0.72 -0.22 1.20 0.00 0.00 173.24 174.86 1ddj s LEU 579 N 1.15 4.17 0.30 3.45 2.96 -0.24 -1.75 118.68 128.72 1ddj s LEU 579 Ca -0.05 1.01 0.11 0.00 -0.22 0.00 0.00 54.13 54.97 1ddj s LEU 579 Cb -0.18 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 1ddj s LEU 579 CO -0.07 -0.32 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.38 1ddj s ARG 580 N 1.94 1.81 0.60 1.98 0.52 0.18 -1.41 118.95 124.57 1ddj s ARG 580 Ca 0.33 -1.76 -0.07 0.00 -0.52 0.00 0.00 55.73 53.71 1ddj s ARG 580 Cb -0.16 -1.82 -0.00 0.00 0.52 0.00 0.00 34.95 33.49 1ddj s ARG 580 CO 0.12 0.28 0.93 0.95 0.02 0.00 0.00 175.30 177.60 1ddj s THR 581 N -2.51 3.97 0.66 0.02 -4.23 -0.79 -0.91 115.64 111.85 1ddj s THR 581 Ca 0.31 0.23 0.23 0.00 -1.18 0.00 0.00 61.69 61.28 1ddj s THR 581 Cb -0.03 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.47 1ddj s THR 581 CO 0.16 -0.64 1.69 -0.09 -0.54 0.00 0.00 174.62 175.20 1ddj h ARG 582 N -0.21 0.00 -0.67 3.99 2.43 -1.86 0.30 114.38 118.36 1ddj h ARG 582 Ca -0.45 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1ddj h ARG 582 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1ddj h ARG 582 CO 0.62 0.00 0.01 1.19 -1.51 0.00 0.00 179.97 180.28 1ddj n PHE 583 N -2.90 1.71 -1.66 2.20 0.99 -1.26 -4.92 117.46 111.62 1ddj n PHE 583 Ca 0.00 -0.61 -0.08 0.00 -0.00 0.00 0.00 57.45 56.76 1ddj n PHE 583 Cb 0.58 -0.45 -0.02 0.00 -1.00 0.00 0.00 39.48 38.60 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 0.48 0.55 3.51 1.37 0.00 0.10 -5.02 105.19 106.18 1ddj n GLY 584 Ca 0.23 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.48 3.47 0.14 1.61 0.00 -1.24 -4.84 119.30 114.96 1ddj s MET 585 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 55.69 54.72 1ddj s MET 585 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 34.83 31.00 1ddj s MET 585 CO 0.00 -0.43 1.69 -1.58 0.00 0.00 0.00 175.02 174.70 1ddj s HIS 586 N 1.69 2.63 0.00 4.11 5.65 -1.26 -1.88 115.29 126.22 1ddj s HIS 586 Ca 0.06 0.32 0.00 0.00 0.25 0.00 0.00 55.06 55.69 1ddj s HIS 586 Cb -0.17 -4.05 0.00 0.00 -1.18 0.00 0.00 32.58 27.18 1ddj s HIS 586 CO 0.09 -4.10 0.11 1.97 -0.65 0.00 0.00 174.74 172.17 1ddj n PHE 587 N 4.84 0.00 -3.63 3.88 1.16 -0.50 -4.98 117.46 118.21 1ddj n PHE 587 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.69 1ddj n PHE 587 Cb 0.38 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.24 1ddj n PHE 587 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ddj n GLY 589 N -0.36 2.99 0.00 0.00 0.00 0.86 -1.08 105.19 107.60 1ddj n GLY 589 Ca -0.07 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1ddj n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddj n GLY 590 N 3.68 -1.36 2.91 -0.02 0.00 -1.03 -4.03 105.19 105.33 1ddj n GLY 590 Ca -0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1ddj n GLY 590 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ddj s THR 591 N -2.31 -0.04 -0.26 2.61 2.01 -0.45 -1.94 115.64 115.27 1ddj s THR 591 Ca 0.00 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1ddj s THR 591 Cb 0.00 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.34 1ddj s THR 591 CO 0.00 0.05 1.07 -0.22 -0.69 0.00 0.00 174.62 174.83 1ddj s LEU 592 N 0.80 4.05 0.00 4.42 2.96 -0.14 -0.38 118.68 130.39 1ddj s LEU 592 Ca -0.06 1.29 0.12 0.00 -0.22 0.00 0.00 54.13 55.26 1ddj s LEU 592 Cb -0.08 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 1ddj s LEU 592 CO -0.03 -0.75 0.55 2.30 -1.32 0.00 0.00 176.35 177.09 1ddj n ILE 593 N 5.51 0.00 -3.55 6.68 -5.35 -0.12 -0.97 119.36 121.56 1ddj n ILE 593 Ca 0.12 -0.26 -0.06 0.00 -0.27 0.00 0.00 62.75 62.27 1ddj n ILE 593 Cb 0.46 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.95 -0.27 0.52 7.28 1.04 -1.14 -4.68 113.70 114.49 1ddj s SER 594 Ca 0.06 -0.04 0.25 0.00 0.48 0.00 0.00 55.95 56.70 1ddj s SER 594 Cb 0.09 0.31 1.37 0.00 0.10 0.00 0.00 66.02 67.89 1ddj s SER 594 CO 0.43 -0.52 1.74 -0.65 0.98 0.00 0.00 173.24 175.22 1ddj h PRO 595 N 2.00 0.00 0.00 4.02 0.11 -1.95 -1.89 132.00 134.29 1ddj h PRO 595 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1ddj h PRO 595 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ddj h PRO 595 CO 0.28 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.46 1ddj n GLU 596 N -2.57 1.33 -4.12 1.05 1.02 -1.26 -0.02 120.64 116.08 1ddj n GLU 596 Ca -0.02 -1.04 -0.16 0.00 -0.02 0.00 0.00 57.16 55.91 1ddj n GLU 596 Cb 0.29 -0.96 -0.15 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.56 0.47 -0.05 -0.32 0.52 -0.71 -1.78 118.94 116.51 1ddj s TRP 597 Ca 0.00 -0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.07 1ddj s TRP 597 Cb 0.00 -0.36 -0.00 0.00 -1.15 0.00 0.00 33.47 31.96 1ddj s TRP 597 CO 0.00 -0.05 -0.16 0.08 0.02 0.00 0.00 176.95 176.84 1ddj s VAL 598 N 0.20 1.37 -0.16 4.03 1.01 -0.64 -0.94 120.40 125.27 1ddj s VAL 598 Ca -0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1ddj s VAL 598 Cb -0.06 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ddj s VAL 598 CO -0.00 0.40 -0.00 -0.22 0.00 0.00 0.00 175.10 175.28 1ddj s LEU 599 N 0.15 3.47 0.00 3.92 2.96 0.49 -0.55 118.68 129.12 1ddj s LEU 599 Ca -0.06 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1ddj s LEU 599 Cb -0.12 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1ddj s LEU 599 CO 0.03 0.19 0.00 1.07 -1.32 0.00 0.00 176.35 176.32 1ddj n THR 600 N 3.40 0.00 -3.83 3.68 5.66 0.32 -1.34 114.28 122.17 1ddj n THR 600 Ca -0.17 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 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.75 3.80 0.57 1.79 0.00 -1.26 -0.74 121.76 124.17 1ddj s ALA 601 Ca 0.00 -0.66 0.26 0.00 0.00 0.00 0.00 51.96 51.56 1ddj s ALA 601 Cb 0.00 -2.04 1.66 0.00 0.00 0.00 0.00 23.12 22.74 1ddj s ALA 601 CO 0.00 0.45 2.19 0.00 0.00 0.00 0.00 175.76 178.40 1ddj h ALA 602 N 5.62 1.72 -0.06 0.00 0.00 -1.76 -1.00 119.26 123.78 1ddj h ALA 602 Ca -0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1ddj h ALA 602 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ddj h ALA 602 CO 0.65 -0.08 -0.09 1.25 0.00 0.00 0.00 179.25 180.97 1ddj h HIS 603 N 0.00 0.09 0.00 0.00 2.76 -1.92 -2.26 115.15 113.82 1ddj h HIS 603 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1ddj h HIS 603 Cb 0.13 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1ddj h HIS 603 CO 0.00 0.19 0.00 0.00 -1.30 0.00 0.00 177.93 176.82 1ddj n LEU 605 N -3.00 4.91 0.13 0.00 4.77 -0.85 -4.67 117.00 118.28 1ddj n LEU 605 Ca -0.00 -3.24 -0.13 0.00 -0.03 0.00 0.00 56.01 52.60 1ddj n LEU 605 Cb 0.23 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1ddj n LEU 605 CO 0.24 0.84 0.77 -0.33 -1.33 0.00 0.00 177.39 177.58 1ddj h GLU 606 N 2.10 -0.32 0.00 3.23 4.39 -1.47 -3.22 114.58 119.28 1ddj h GLU 606 Ca 0.15 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1ddj h GLU 606 Cb 1.87 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1ddj h GLU 606 CO 0.47 -0.21 -0.16 1.57 -1.16 0.00 0.00 179.01 179.52 1ddj h LYS 607 N -0.33 0.00 -2.69 2.33 2.10 -1.84 -3.45 116.57 112.69 1ddj h LYS 607 Ca -0.01 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.52 1ddj h LYS 607 Cb 0.30 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.38 1ddj h LYS 607 CO -0.01 0.16 -0.26 0.45 -2.00 0.00 0.00 179.45 177.79 1ddj s SER 608 N -6.52 -0.47 0.00 7.07 0.15 -1.22 -5.02 113.70 107.69 1ddj s SER 608 Ca -0.03 0.86 0.28 0.00 0.70 0.00 0.00 55.95 57.76 1ddj s SER 608 Cb 0.14 0.81 0.98 0.00 -1.71 0.00 0.00 66.02 66.24 1ddj s SER 608 CO 0.63 -0.17 1.72 -0.81 1.20 0.00 0.00 173.24 175.82 1ddj n PRO 609 N 3.51 0.27 -2.87 5.44 -0.04 -1.26 -4.85 135.00 135.20 1ddj n PRO 609 Ca -0.18 -0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 62.76 1ddj n PRO 609 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.80 4.31 0.43 0.54 0.52 -1.26 -4.89 118.95 115.80 1ddj s ARG 610 Ca 0.18 1.06 0.12 0.00 -0.52 0.00 0.00 55.73 56.57 1ddj s ARG 610 Cb 0.19 -3.57 0.94 0.00 0.52 0.00 0.00 34.95 33.03 1ddj s ARG 610 CO 0.57 -0.32 2.00 -1.35 0.02 0.00 0.00 175.30 176.21 1ddj h PRO 611 N 7.30 0.17 0.00 3.54 0.11 -1.85 -1.96 132.00 139.30 1ddj h PRO 611 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ddj h PRO 611 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ddj h PRO 611 CO 0.84 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 1ddj h SER 612 N 0.17 0.00 1.04 -2.05 4.64 -1.91 -1.59 113.55 113.85 1ddj h SER 612 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ddj h SER 612 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ddj h SER 612 CO 0.01 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.25 1ddj h SER 613 N 0.00 0.00 -4.17 4.97 0.02 -1.70 -3.45 113.55 109.22 1ddj h SER 613 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1ddj h SER 613 Cb 0.25 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.54 1ddj h SER 613 CO 0.00 0.00 -0.82 -0.31 -1.14 0.00 0.00 176.83 174.56 1ddj s TYR 614 N -3.29 2.54 0.05 3.45 1.51 -0.60 -3.57 117.35 117.44 1ddj s TYR 614 Ca 0.06 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 1ddj s TYR 614 Cb 0.10 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1ddj s TYR 614 CO 0.48 0.15 -0.21 0.21 -1.11 0.00 0.00 175.55 175.07 1ddj s LYS 615 N -0.98 1.38 -0.16 -0.62 2.20 -0.09 -3.92 119.74 117.56 1ddj s LYS 615 Ca 0.12 -0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1ddj s LYS 615 Cb -0.10 -1.52 -0.01 0.00 -1.51 0.00 0.00 37.83 34.69 1ddj s LYS 615 CO 0.02 0.38 -0.12 0.08 -0.36 0.00 0.00 175.35 175.35 1ddj s VAL 616 N -0.84 2.96 -0.14 4.02 1.01 -0.34 -0.64 120.40 126.42 1ddj s VAL 616 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ddj s VAL 616 Cb -0.09 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1ddj s VAL 616 CO 0.02 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 1ddj s ILE 617 N 0.73 3.43 0.03 2.22 1.09 -0.72 -0.38 121.20 127.59 1ddj s ILE 617 Ca -0.06 -0.53 0.07 0.00 -1.10 0.00 0.00 60.65 59.04 1ddj s ILE 617 Cb -0.15 -2.47 -0.02 0.00 -1.06 0.00 0.00 42.46 38.75 1ddj s ILE 617 CO 0.02 0.51 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.40 1ddj s LEU 618 N 0.38 2.13 0.00 2.97 1.43 0.26 -2.18 118.68 123.66 1ddj s LEU 618 Ca -0.08 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1ddj s LEU 618 Cb -0.15 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1ddj s LEU 618 CO 0.04 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1ddj n GLY 619 N 2.05 0.65 3.87 -3.19 0.00 -1.26 -1.65 105.19 105.66 1ddj n GLY 619 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.22 3.30 0.00 4.61 0.00 -1.26 -4.80 121.76 121.39 1ddj s ALA 620 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1ddj s ALA 620 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1ddj s ALA 620 CO 0.00 -0.03 0.00 1.58 0.00 0.00 0.00 175.76 177.31 1ddj n HIS 621 N -1.29 0.00 -2.76 0.00 -0.00 -1.26 -4.76 115.22 105.15 1ddj n HIS 621 Ca 0.03 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.80 1ddj n HIS 621 Cb 0.54 0.13 -0.05 0.00 -0.12 0.00 0.00 29.99 30.49 1ddj n HIS 621 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1ddj s GLN 622 N -1.93 4.72 0.23 1.57 2.00 -1.26 -1.43 119.66 123.56 1ddj s GLN 622 Ca 0.00 1.42 0.12 0.00 -2.00 0.00 0.00 55.36 54.90 1ddj s GLN 622 Cb 0.00 -3.34 0.02 0.00 0.80 0.00 0.00 33.01 30.48 1ddj s GLN 622 CO 0.00 0.32 1.41 1.49 -0.50 0.00 0.00 175.29 178.01 1ddj h GLU 623 N 5.14 0.00 0.00 1.67 4.81 -1.12 -3.41 114.58 121.67 1ddj h GLU 623 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1ddj h GLU 623 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1ddj h GLU 623 CO 0.70 0.68 -0.34 0.28 -0.73 0.00 0.00 179.01 179.61 1ddj n VAL 624 N -3.31 1.23 -2.26 0.32 0.31 -1.26 -4.76 118.33 108.59 1ddj n VAL 624 Ca 0.01 0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 64.22 1ddj n VAL 624 Cb 0.79 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1ddj n VAL 624 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ddj n ASN 625 N -3.71 4.54 -4.66 4.52 3.02 -1.26 -4.95 115.26 112.76 1ddj n ASN 625 Ca -0.04 -2.89 -0.46 0.00 -0.03 0.00 0.00 54.58 51.16 1ddj n ASN 625 Cb 0.17 -1.71 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 1ddj n ASN 625 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ddj n LEU 626 N 7.46 2.92 -4.53 3.41 4.77 -1.26 -4.81 117.00 124.96 1ddj n LEU 626 Ca 0.50 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 57.29 1ddj n LEU 626 Cb 0.43 -1.40 0.16 0.00 -2.33 0.00 0.00 43.42 40.28 1ddj n LEU 626 CO 0.82 -0.54 0.29 -0.62 -1.33 0.00 0.00 177.39 176.01 1ddj n GLU 627 N 2.28 -0.64 -0.18 3.23 4.71 -1.26 -4.92 120.64 123.86 1ddj n GLU 627 Ca 0.13 -0.13 -0.07 0.00 -0.01 0.00 0.00 57.16 57.07 1ddj n GLU 627 Cb 0.30 -2.11 0.02 0.00 -1.01 0.00 0.00 31.44 28.63 1ddj n GLU 627 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1ddj h PRO 628 N -1.85 0.72 0.00 3.49 0.11 -1.99 -2.85 132.00 129.63 1ddj h PRO 628 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ddj h PRO 628 Cb 1.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ddj h PRO 628 CO 0.39 0.54 0.00 -2.39 -0.21 0.00 0.00 178.00 176.33 1ddj n HIS 629 N -4.66 0.00 -1.70 0.65 1.44 -1.26 -4.89 115.22 104.81 1ddj n HIS 629 Ca 0.03 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.31 1ddj n HIS 629 Cb 0.07 -0.36 -0.01 0.00 0.12 0.00 0.00 29.99 29.81 1ddj n HIS 629 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1ddj n VAL 630 N -1.36 1.66 -3.70 0.61 0.31 -1.08 -4.97 118.33 109.80 1ddj n VAL 630 Ca 0.08 -0.41 -0.37 0.00 -0.01 0.00 0.00 64.34 63.62 1ddj n VAL 630 Cb 0.18 -1.58 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 1ddj n VAL 630 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ddj s GLN 631 N -1.40 3.75 -0.32 5.55 -0.21 -0.66 -4.96 119.66 121.41 1ddj s GLN 631 Ca 0.59 -0.42 -0.08 0.00 0.02 0.00 0.00 55.36 55.47 1ddj s GLN 631 Cb -0.58 -3.43 0.02 0.00 1.00 0.00 0.00 33.01 30.01 1ddj s GLN 631 CO 0.58 -0.18 0.11 -2.00 -2.12 0.00 0.00 175.29 171.68 1ddj s GLU 632 N 1.66 2.94 -0.01 2.91 2.12 -1.26 -0.58 118.70 126.48 1ddj s GLU 632 Ca 0.07 -0.97 0.06 0.00 0.36 0.00 0.00 54.97 54.48 1ddj s GLU 632 Cb -0.15 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1ddj s GLU 632 CO 0.06 -0.54 -0.18 0.42 -0.54 0.00 0.00 175.26 174.48 1ddj s ILE 633 N 1.49 2.75 0.77 -3.70 1.01 0.49 -4.96 121.20 119.04 1ddj s ILE 633 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1ddj s ILE 633 Cb -0.18 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.26 1ddj s ILE 633 CO 0.03 0.49 1.12 -1.61 0.00 0.00 0.00 174.94 174.98 1ddj s GLU 634 N -0.97 2.30 -0.08 2.79 0.41 -1.26 -1.20 118.70 120.69 1ddj s GLU 634 Ca 0.12 0.38 0.04 0.00 -0.41 0.00 0.00 54.97 55.11 1ddj s GLU 634 Cb -0.10 -1.97 -0.00 0.00 -1.78 0.00 0.00 34.13 30.28 1ddj s GLU 634 CO 0.02 -1.41 -0.21 0.08 -0.49 0.00 0.00 175.26 173.24 1ddj s VAL 635 N -3.37 1.83 -0.17 2.63 1.01 -1.25 -0.43 120.40 120.65 1ddj s VAL 635 Ca 0.60 -0.90 0.18 0.00 0.00 0.00 0.00 61.98 61.86 1ddj s VAL 635 Cb -0.12 -1.59 -0.26 0.00 0.00 0.00 0.00 36.38 34.42 1ddj s VAL 635 CO 0.52 0.51 0.17 -1.54 0.00 0.00 0.00 175.10 174.76 1ddj n SER 636 N 3.43 0.06 -3.87 3.32 3.41 -0.37 -3.88 113.62 115.71 1ddj n SER 636 Ca -0.19 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 1ddj n SER 636 Cb 0.53 1.07 -0.09 0.00 -0.26 0.00 0.00 64.21 65.45 1ddj n SER 636 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ddj s ARG 637 N -2.64 0.54 -0.03 4.33 1.81 -1.21 -4.75 118.95 116.99 1ddj s ARG 637 Ca -0.09 -0.49 0.05 0.00 -1.72 0.00 0.00 55.73 53.48 1ddj s ARG 637 Cb 0.07 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.78 1ddj s ARG 637 CO 0.84 -0.14 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.61 1ddj s LEU 638 N -1.63 2.00 -0.14 2.53 1.43 -1.26 -1.45 118.68 120.16 1ddj s LEU 638 Ca -0.12 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1ddj s LEU 638 Cb -0.05 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1ddj s LEU 638 CO -0.00 0.21 -0.07 -0.36 0.23 0.00 0.00 176.35 176.36 1ddj s PHE 639 N -0.23 1.59 -0.08 0.29 0.40 0.34 -4.99 117.98 115.31 1ddj s PHE 639 Ca 0.01 -0.90 -0.11 0.00 -0.60 0.00 0.00 56.93 55.34 1ddj s PHE 639 Cb -0.10 -1.28 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 1ddj s PHE 639 CO 0.01 -0.56 0.26 -0.51 0.70 0.00 0.00 175.22 175.12 1ddj s LEU 640 N 1.67 4.40 0.15 -0.37 1.43 -1.26 -0.34 118.68 124.36 1ddj s LEU 640 Ca 0.03 0.65 -0.34 0.00 -1.03 0.00 0.00 54.13 53.44 1ddj s LEU 640 Cb -0.14 -2.30 -0.15 0.00 0.03 0.00 0.00 46.19 43.64 1ddj s LEU 640 CO -0.08 0.33 1.48 1.21 0.23 0.00 0.00 176.35 179.52 1ddj n GLU 641 N 2.19 1.84 -0.30 1.70 0.00 -0.57 -4.89 120.64 120.60 1ddj n GLU 641 Ca -0.17 0.66 0.06 0.00 0.00 0.00 0.00 57.16 57.71 1ddj n GLU 641 Cb 0.53 -2.37 0.21 0.00 0.00 0.00 0.00 31.44 29.81 1ddj n GLU 641 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 1ddj h PRO 642 N 5.25 0.72 -0.72 5.31 0.11 -1.92 -2.56 132.00 138.18 1ddj h PRO 642 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ddj h PRO 642 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ddj h PRO 642 CO 0.84 0.47 0.00 0.25 -0.21 0.00 0.00 178.00 179.35 1ddj n THR 643 N -4.79 1.08 -1.89 -1.15 -2.24 -1.26 -4.90 114.28 99.14 1ddj n THR 643 Ca 0.16 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1ddj n THR 643 Cb 0.37 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1ddj n THR 643 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ddj n ARG 644 N 0.32 -0.89 -2.02 -0.78 0.63 -0.96 -5.03 116.66 107.93 1ddj n ARG 644 Ca 0.12 0.70 -0.31 0.00 -0.92 0.00 0.00 57.85 57.44 1ddj n ARG 644 Cb 0.60 -4.79 0.00 0.00 0.45 0.00 0.00 32.46 28.72 1ddj n ARG 644 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ddj s LYS 645 N -3.98 3.62 -1.38 -0.14 -0.14 -1.26 -4.93 119.74 111.54 1ddj s LYS 645 Ca 0.00 0.69 -0.13 0.00 -1.36 0.00 0.00 55.97 55.17 1ddj s LYS 645 Cb 0.00 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 1ddj s LYS 645 CO 0.00 -0.50 2.38 -3.47 -0.76 0.00 0.00 175.35 173.00 1ddj n ASP 646 N -2.59 5.06 -3.73 2.83 4.64 -1.26 -4.51 116.55 116.99 1ddj n ASP 646 Ca 0.05 -2.71 -0.13 0.00 -1.38 0.00 0.00 54.79 50.62 1ddj n ASP 646 Cb 0.54 -1.52 -0.10 0.00 -1.04 0.00 0.00 41.12 38.99 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 3.17 -0.00 0.12 5.18 2.07 -1.26 -4.09 121.20 126.40 1ddj s ILE 647 Ca 0.54 0.01 -0.19 0.00 -1.41 0.00 0.00 60.65 59.59 1ddj s ILE 647 Cb 0.15 -0.56 0.05 0.00 0.13 0.00 0.00 42.46 42.23 1ddj s ILE 647 CO -0.05 0.00 0.48 0.00 -1.91 0.00 0.00 174.94 173.46 1ddj s ALA 648 N 0.29 -1.20 0.02 1.50 0.00 0.08 -1.51 121.76 120.93 1ddj s ALA 648 Ca -0.01 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.23 1ddj s ALA 648 Cb -0.03 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1ddj s ALA 648 CO -0.00 -0.66 -0.12 -0.51 0.00 0.00 0.00 175.76 174.47 1ddj s LEU 649 N -2.64 2.92 -0.15 0.00 1.43 0.54 -0.52 118.68 120.26 1ddj s LEU 649 Ca 0.01 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1ddj s LEU 649 Cb 0.01 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1ddj s LEU 649 CO -0.11 0.27 -0.21 -0.76 0.23 0.00 0.00 176.35 175.77 1ddj s LEU 650 N -1.39 2.11 -0.34 1.79 1.43 0.29 -0.50 118.68 122.06 1ddj s LEU 650 Ca 0.16 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1ddj s LEU 650 Cb -0.11 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1ddj s LEU 650 CO 0.06 0.06 0.36 -0.75 0.23 0.00 0.00 176.35 176.32 1ddj s LYS 651 N 0.92 3.60 0.55 1.70 2.20 -0.53 -1.63 119.74 126.55 1ddj s LYS 651 Ca -0.05 -0.38 -0.21 0.00 -0.36 0.00 0.00 55.97 54.97 1ddj s LYS 651 Cb -0.15 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1ddj s LYS 651 CO -0.04 -0.50 1.29 -0.51 -0.36 0.00 0.00 175.35 175.22 1ddj s LEU 652 N 2.02 3.82 0.30 5.43 1.43 -0.73 -1.24 118.68 129.70 1ddj s LEU 652 Ca 0.12 2.60 0.09 0.00 -1.03 0.00 0.00 54.13 55.91 1ddj s LEU 652 Cb -0.16 -4.37 0.47 0.00 0.03 0.00 0.00 46.19 42.16 1ddj s LEU 652 CO 0.12 -1.50 1.69 0.28 0.23 0.00 0.00 176.35 177.16 1ddj h SER 653 N 1.36 0.10 -4.56 2.29 0.02 -1.05 -3.42 113.55 108.29 1ddj h SER 653 Ca -0.51 -0.05 -0.32 0.00 -0.84 0.00 0.00 61.79 60.08 1ddj h SER 653 Cb 1.29 -0.03 -0.23 0.00 0.14 0.00 0.00 62.40 63.58 1ddj h SER 653 CO 0.57 0.58 -0.75 -0.94 -1.14 0.00 0.00 176.83 175.15 1ddj s SER 654 N -6.89 1.04 0.20 3.07 1.04 -1.26 -4.98 113.70 105.93 1ddj s SER 654 Ca -0.03 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 1ddj s SER 654 Cb 0.13 -0.01 -0.09 0.00 0.10 0.00 0.00 66.02 66.16 1ddj s SER 654 CO 0.76 -0.12 1.29 -2.84 0.98 0.00 0.00 173.24 173.30 1ddj s PRO 655 N -1.38 4.41 0.62 4.02 0.02 -1.26 -4.88 135.00 136.55 1ddj s PRO 655 Ca -0.06 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 62.81 1ddj s PRO 655 Cb -0.09 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 1ddj s PRO 655 CO 0.01 -0.22 1.22 0.00 -0.33 0.00 0.00 177.00 177.68 1ddj s ALA 656 N -0.00 2.47 -0.11 -1.55 0.00 0.97 -4.97 121.76 118.57 1ddj s ALA 656 Ca 0.55 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 1ddj s ALA 656 Cb -0.36 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1ddj s ALA 656 CO 0.39 -1.32 0.56 0.08 0.00 0.00 0.00 175.76 175.46 1ddj s VAL 657 N -1.61 5.13 -0.20 0.00 1.01 -1.26 -4.84 120.40 118.62 1ddj s VAL 657 Ca 0.78 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 1ddj s VAL 657 Cb -0.31 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1ddj s VAL 657 CO 0.36 0.28 0.85 -0.63 0.00 0.00 0.00 175.10 175.95 1ddj s ILE 658 N 0.82 4.85 0.00 2.22 -1.09 -1.26 -4.76 121.20 121.98 1ddj s ILE 658 Ca 0.30 1.64 0.00 0.00 -2.23 0.00 0.00 60.65 60.36 1ddj s ILE 658 Cb -0.16 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1ddj s ILE 658 CO 0.13 -0.03 0.00 0.35 -1.23 0.00 0.00 174.94 174.16 1ddj n THR 659 N 4.97 0.00 1.94 2.92 -2.24 -0.56 -4.98 114.28 116.32 1ddj n THR 659 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1ddj n THR 659 Cb 0.48 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.45 1ddj n THR 659 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ddj n ASP 660 N -2.23 0.15 -0.00 3.42 5.68 -1.26 -3.19 116.55 119.12 1ddj n ASP 660 Ca 0.00 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1ddj n ASP 660 Cb 0.00 -0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1ddj n ASP 660 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ddj n LYS 661 N -0.80 3.33 -3.88 0.11 5.02 -1.26 -4.40 118.16 116.28 1ddj n LYS 661 Ca 0.19 -0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 1ddj n LYS 661 Cb 0.11 -0.77 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.54 1.45 -0.01 -0.18 1.01 -1.19 -4.23 120.40 115.70 1ddj s VAL 662 Ca -0.00 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1ddj s VAL 662 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1ddj s VAL 662 CO 0.01 -0.45 0.02 -0.63 0.00 0.00 0.00 175.10 174.04 1ddj s ILE 663 N 1.36 -0.02 0.73 2.22 1.01 -1.00 -1.50 121.20 124.01 1ddj s ILE 663 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1ddj s ILE 663 Cb -0.18 -0.07 0.03 0.00 0.01 0.00 0.00 42.46 42.24 1ddj s ILE 663 CO -0.14 0.06 1.07 -2.84 0.00 0.00 0.00 174.94 173.10 1ddj s PRO 664 N 0.69 2.65 0.16 2.79 0.02 -1.26 -2.03 135.00 138.01 1ddj s PRO 664 Ca -0.06 1.05 -0.02 0.00 0.02 0.00 0.00 61.00 61.99 1ddj s PRO 664 Cb -0.08 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 1ddj s PRO 664 CO -0.02 -1.33 0.36 0.00 -0.33 0.00 0.00 177.00 175.68 1ddj s ALA 665 N -2.98 3.84 0.57 -1.55 0.00 -0.14 -1.71 121.76 119.78 1ddj s ALA 665 Ca 0.59 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 1ddj s ALA 665 Cb -0.15 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1ddj s ALA 665 CO 0.55 0.58 1.03 0.00 0.00 0.00 0.00 175.76 177.92 1ddj s LEU 667 N -4.40 3.77 0.73 0.00 1.43 -1.26 -1.36 118.68 117.59 1ddj s LEU 667 Ca 0.61 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1ddj s LEU 667 Cb -0.13 -2.38 0.09 0.00 0.03 0.00 0.00 46.19 43.80 1ddj s LEU 667 CO 0.36 0.20 1.04 -2.16 0.23 0.00 0.00 176.35 176.02 1ddj s PRO 668 N -2.18 1.91 0.46 1.29 0.04 -1.26 -4.93 135.00 130.33 1ddj s PRO 668 Ca 0.27 -0.47 -0.24 0.00 0.04 0.00 0.00 61.00 60.61 1ddj s PRO 668 Cb -0.12 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1ddj s PRO 668 CO 0.19 -1.40 1.24 -1.12 0.04 0.00 0.00 177.00 175.96 1ddj s SER 669 N -4.60 6.01 0.40 6.66 0.01 -1.26 -4.89 113.70 116.02 1ddj s SER 669 Ca 0.63 2.50 -0.25 0.00 1.31 0.00 0.00 55.95 60.14 1ddj s SER 669 Cb -0.09 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 1ddj s SER 669 CO 0.45 -1.04 1.11 -2.65 0.41 0.00 0.00 173.24 171.52 1ddj n PRO 670 N -0.43 1.59 -1.05 12.44 -0.02 -1.26 -1.70 135.00 144.57 1ddj n PRO 670 Ca 0.07 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1ddj n PRO 670 Cb 0.46 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.53 -5.82 -4.75 2.55 3.02 0.26 -4.96 115.26 106.09 1ddj n ASN 671 Ca 0.08 0.04 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 1ddj n ASN 671 Cb 0.38 -3.46 0.04 0.00 -0.61 0.00 0.00 39.78 36.13 1ddj n ASN 671 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ddj s TYR 672 N -1.18 2.36 -0.26 3.10 5.04 -0.69 -4.93 117.35 120.78 1ddj s TYR 672 Ca 0.00 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1ddj s TYR 672 Cb 0.00 -3.67 0.07 0.00 0.35 0.00 0.00 41.96 38.70 1ddj s TYR 672 CO 0.00 -2.59 -0.05 0.08 -1.34 0.00 0.00 175.55 171.64 1ddj s VAL 673 N -1.40 1.85 0.27 3.14 1.01 -1.26 -4.72 120.40 119.29 1ddj s VAL 673 Ca 0.73 -1.55 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 1ddj s VAL 673 Cb -0.37 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 33.79 1ddj s VAL 673 CO 0.42 -0.17 1.62 0.52 0.00 0.00 0.00 175.10 177.49 1ddj n VAL 674 N 4.53 0.76 -1.73 2.92 0.31 -1.26 -4.92 118.33 118.94 1ddj n VAL 674 Ca -0.10 -0.19 -0.36 0.00 -0.01 0.00 0.00 64.34 63.68 1ddj n VAL 674 Cb 0.43 -1.95 0.07 0.00 -0.91 0.00 0.00 33.84 31.48 1ddj n VAL 674 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddj s ALA 675 N 0.29 2.35 0.30 3.52 0.00 -1.26 -4.94 121.76 122.03 1ddj s ALA 675 Ca 0.67 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 1ddj s ALA 675 Cb -0.51 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 18.99 1ddj s ALA 675 CO 0.44 -1.55 1.37 -3.47 0.00 0.00 0.00 175.76 172.55 1ddj n ASP 676 N -2.06 2.91 0.00 0.00 2.03 -1.26 -2.35 116.55 115.83 1ddj n ASP 676 Ca 0.14 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.63 1ddj n ASP 676 Cb 0.49 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 1.26 -0.46 -1.75 -0.67 1.74 -0.42 -4.95 116.66 111.42 1ddj n ARG 677 Ca 0.07 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.85 1ddj n ARG 677 Cb 0.35 -3.51 -0.03 0.00 -1.02 0.00 0.00 32.46 28.24 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 -2.09 2.12 -0.15 0.55 2.01 -0.99 -4.51 115.64 112.58 1ddj s THR 678 Ca 0.00 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1ddj s THR 678 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1ddj s THR 678 CO 0.00 0.00 1.24 -1.61 -0.69 0.00 0.00 174.62 173.57 1ddj s GLU 679 N 1.30 4.25 0.40 4.92 0.41 -1.26 -1.80 118.70 126.92 1ddj s GLU 679 Ca 0.75 1.65 0.04 0.00 -0.41 0.00 0.00 54.97 57.00 1ddj s GLU 679 Cb -0.49 -3.72 -0.05 0.00 -1.78 0.00 0.00 34.13 28.09 1ddj s GLU 679 CO 0.32 -0.66 0.05 0.00 -0.49 0.00 0.00 175.26 174.48 1ddj s PHE 681 N -3.05 0.51 -0.13 0.00 0.40 0.21 0.10 117.98 116.02 1ddj s PHE 681 Ca 0.28 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1ddj s PHE 681 Cb 0.07 -0.35 -0.03 0.00 0.51 0.00 0.00 43.02 43.22 1ddj s PHE 681 CO 0.14 -0.03 -0.05 -1.50 0.70 0.00 0.00 175.22 174.48 1ddj s ILE 682 N -0.01 3.81 0.06 0.64 2.07 -0.21 -1.20 121.20 126.37 1ddj s ILE 682 Ca 0.01 -0.40 0.06 0.00 -1.41 0.00 0.00 60.65 58.91 1ddj s ILE 682 Cb -0.04 -2.64 -0.03 0.00 0.13 0.00 0.00 42.46 39.89 1ddj s ILE 682 CO -0.00 0.53 -0.17 0.42 -1.91 0.00 0.00 174.94 173.80 1ddj s THR 683 N 0.02 1.36 -2.22 4.00 -4.23 -1.11 -0.89 115.64 112.57 1ddj s THR 683 Ca -0.00 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1ddj s THR 683 Cb -0.13 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1ddj s THR 683 CO 0.03 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1ddj n GLY 684 N 1.60 -1.85 0.11 3.99 0.00 -0.76 -4.15 105.19 104.14 1ddj n GLY 684 Ca -0.19 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 0.01 0.00 -4.08 1.61 8.01 -1.26 -0.67 117.44 121.06 1ddj n TRP 685 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ddj n TRP 685 Cb 0.00 -0.97 0.00 0.00 -2.01 0.00 0.00 31.31 28.33 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 2.09 -1.91 2.59 6.99 0.00 -1.22 -4.54 105.19 109.20 1ddj n GLY 686 Ca -0.40 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 1ddj n GLY 686 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ddj n GLU 687 N -0.13 2.50 -3.76 1.61 4.71 -1.26 -5.01 120.64 119.31 1ddj n GLU 687 Ca 0.00 -4.15 -0.37 0.00 -0.01 0.00 0.00 57.16 52.62 1ddj n GLU 687 Cb 0.00 -1.94 -0.13 0.00 -1.01 0.00 0.00 31.44 28.36 1ddj n GLU 687 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1ddj s THR 688 N -4.26 4.03 0.15 2.62 -4.23 -1.26 -5.10 115.64 107.59 1ddj s THR 688 Ca 0.42 -0.59 0.10 0.00 -1.18 0.00 0.00 61.69 60.44 1ddj s THR 688 Cb 0.37 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1ddj s THR 688 CO -0.11 0.13 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.79 1ddj s GLN 689 N 1.52 1.30 0.00 3.99 1.11 -1.26 -4.04 119.66 122.29 1ddj s GLN 689 Ca 0.03 -1.35 0.00 0.00 0.01 0.00 0.00 55.36 54.06 1ddj s GLN 689 Cb -0.17 -1.57 0.00 0.00 -1.01 0.00 0.00 33.01 30.27 1ddj s GLN 689 CO 0.03 0.35 0.00 0.41 0.01 0.00 0.00 175.29 176.08 1ddj n GLY 690 N 0.64 2.36 0.00 3.09 0.00 -1.26 -4.99 105.19 105.03 1ddj n GLY 690 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.00 -2.90 2.61 -1.04 -1.26 -5.02 114.28 104.67 1ddj n THR 691 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1ddj n THR 691 Cb 0.00 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 66.87 1ddj n THR 691 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1ddj s PHE 692 N 0.08 3.67 0.00 -1.42 5.36 -1.26 -3.69 117.98 120.72 1ddj s PHE 692 Ca 0.00 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1ddj s PHE 692 Cb 0.00 -2.92 0.00 0.00 -0.34 0.00 0.00 43.02 39.76 1ddj s PHE 692 CO 0.00 0.13 0.00 0.41 -1.46 0.00 0.00 175.22 174.30 1ddj n GLY 693 N 2.74 0.00 3.58 13.12 0.00 -1.26 -4.86 105.19 118.50 1ddj n GLY 693 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ddj n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddj n ALA 694 N 1.00 1.47 0.00 4.61 0.00 -1.24 -0.79 120.51 125.56 1ddj n ALA 694 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1ddj n ALA 694 Cb 0.01 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.47 1ddj n ALA 694 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ddj n GLY 695 N 5.89 0.28 3.75 0.00 0.00 -1.26 -4.69 105.19 109.16 1ddj n GLY 695 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 3.60 0.15 0.99 1.43 0.03 -0.44 118.68 124.44 1ddj s LEU 696 Ca 0.00 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 1ddj s LEU 696 Cb 0.00 -2.20 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 1ddj s LEU 696 CO 0.00 0.05 1.56 -0.22 0.23 0.00 0.00 176.35 177.97 1ddj s LEU 697 N -3.21 4.37 0.37 1.79 2.96 -0.51 -4.69 118.68 119.76 1ddj s LEU 697 Ca 0.30 2.57 0.08 0.00 -0.22 0.00 0.00 54.13 56.87 1ddj s LEU 697 Cb -0.09 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1ddj s LEU 697 CO 0.22 -0.81 0.02 -0.54 -1.32 0.00 0.00 176.35 173.92 1ddj s LYS 698 N 1.31 2.04 0.09 1.98 1.02 0.15 -0.62 119.74 125.71 1ddj s LYS 698 Ca 0.70 -1.87 -0.08 0.00 0.02 0.00 0.00 55.97 54.74 1ddj s LYS 698 Cb -0.43 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1ddj s LYS 698 CO 0.31 0.06 0.17 -1.83 -0.92 0.00 0.00 175.35 173.14 1ddj s GLU 699 N -3.73 0.84 -0.18 1.68 -1.05 0.17 -1.82 118.70 114.61 1ddj s GLU 699 Ca 0.36 -1.01 -0.07 0.00 -0.15 0.00 0.00 54.97 54.09 1ddj s GLU 699 Cb 0.03 0.33 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1ddj s GLU 699 CO 0.19 -0.26 0.40 0.00 0.95 0.00 0.00 175.26 176.54 1ddj s ALA 700 N -3.88 -1.06 -0.13 -0.84 0.00 -0.07 -1.32 121.76 114.46 1ddj s ALA 700 Ca 0.06 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 1ddj s ALA 700 Cb 0.05 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1ddj s ALA 700 CO -0.10 -0.62 1.11 -1.14 0.00 0.00 0.00 175.76 175.01 1ddj s GLN 701 N 2.28 4.33 -0.07 0.00 0.74 -1.25 -1.04 119.66 124.65 1ddj s GLN 701 Ca -0.03 1.51 0.02 0.00 0.05 0.00 0.00 55.36 56.90 1ddj s GLN 701 Cb -0.11 -3.61 0.02 0.00 1.10 0.00 0.00 33.01 30.41 1ddj s GLN 701 CO -0.12 -0.49 -0.11 -0.51 -0.55 0.00 0.00 175.29 173.51 1ddj s LEU 702 N 2.59 1.55 0.27 3.68 1.43 0.12 -4.60 118.68 123.71 1ddj s LEU 702 Ca 0.50 -0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 1ddj s LEU 702 Cb -0.20 -0.82 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 1ddj s LEU 702 CO 0.16 0.00 0.81 -2.16 0.23 0.00 0.00 176.35 175.38 1ddj s PRO 703 N 0.87 4.35 0.57 1.29 0.05 -1.26 -1.07 135.00 139.81 1ddj s PRO 703 Ca -0.11 1.02 -0.14 0.00 0.05 0.00 0.00 61.00 61.82 1ddj s PRO 703 Cb -0.15 -2.81 -0.05 0.00 0.05 0.00 0.00 34.50 31.54 1ddj s PRO 703 CO 0.01 0.33 1.02 0.14 0.05 0.00 0.00 177.00 178.55 1ddj s VAL 704 N -1.60 4.40 -0.17 -0.36 -7.23 -0.75 0.83 120.40 115.53 1ddj s VAL 704 Ca 0.47 1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 61.65 1ddj s VAL 704 Cb -0.17 -3.67 0.04 0.00 0.56 0.00 0.00 36.38 33.15 1ddj s VAL 704 CO 0.21 -0.79 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.53 1ddj s ILE 705 N -2.78 1.09 0.06 -0.62 1.01 -0.01 -1.30 121.20 118.65 1ddj s ILE 705 Ca 0.59 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1ddj s ILE 705 Cb -0.12 -1.29 -0.12 0.00 0.01 0.00 0.00 42.46 40.94 1ddj s ILE 705 CO 0.40 0.11 0.55 -0.62 0.00 0.00 0.00 174.94 175.38 1ddj n GLU 706 N 4.88 0.00 -0.24 2.79 1.02 -1.26 -4.14 120.64 123.69 1ddj n GLU 706 Ca -0.12 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.13 1ddj n GLU 706 Cb 0.48 -0.84 0.38 0.00 -0.02 0.00 0.00 31.44 31.44 1ddj n GLU 706 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1ddj h ASN 707 N 1.40 0.63 -0.54 1.62 -0.26 -1.94 0.20 115.58 116.70 1ddj h ASN 707 Ca -0.27 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.52 1ddj h ASN 707 Cb 0.94 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.06 1ddj h ASN 707 CO 0.40 0.35 0.32 0.50 -1.06 0.00 0.00 177.43 177.94 1ddj h LYS 708 N 0.69 0.62 0.01 0.81 3.64 -1.95 0.37 116.57 120.76 1ddj h LYS 708 Ca 0.40 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.55 1ddj h LYS 708 Cb 0.61 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1ddj h LYS 708 CO -0.17 0.41 -0.94 0.28 -2.27 0.00 0.00 179.45 176.76 1ddj h VAL 709 N 0.64 1.62 -0.39 2.00 2.07 -1.60 -3.22 116.25 117.36 1ddj h VAL 709 Ca 0.22 -3.05 -0.10 0.00 0.82 0.00 0.00 66.70 64.59 1ddj h VAL 709 Cb 0.03 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1ddj h VAL 709 CO -0.10 0.87 -0.16 0.00 0.02 0.00 0.00 177.57 178.20 1ddj n ASN 711 N -4.14 0.00 -4.73 0.00 5.03 0.12 -1.96 115.26 109.59 1ddj n ASN 711 Ca 0.01 -1.60 -0.35 0.00 0.87 0.00 0.00 54.58 53.51 1ddj n ASN 711 Cb 0.39 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.24 1ddj n ASN 711 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ddj s ARG 712 N -2.00 2.25 0.26 3.52 0.52 -1.05 -0.18 118.95 122.27 1ddj s ARG 712 Ca 0.08 1.79 -0.02 0.00 -0.52 0.00 0.00 55.73 57.06 1ddj s ARG 712 Cb 0.04 -1.84 0.57 0.00 0.52 0.00 0.00 34.95 34.23 1ddj s ARG 712 CO 0.06 -1.76 1.68 -0.92 0.02 0.00 0.00 175.30 174.38 1ddj h TYR 713 N -0.11 0.36 0.00 -0.53 3.20 -1.91 -0.45 116.97 117.54 1ddj h TYR 713 Ca -0.48 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1ddj h TYR 713 Cb 1.30 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1ddj h TYR 713 CO 0.46 -0.10 0.00 0.39 -1.64 0.00 0.00 178.16 177.27 1ddj n GLU 714 N -5.15 0.17 0.00 1.82 4.71 -1.26 -4.20 120.64 116.73 1ddj n GLU 714 Ca 0.17 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 1ddj n GLU 714 Cb 0.54 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 1ddj n GLU 714 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1ddj n PHE 715 N -1.35 0.00 0.92 -0.32 0.99 -0.36 -4.88 117.46 112.47 1ddj n PHE 715 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.65 1ddj n PHE 715 Cb 0.15 0.00 0.58 0.00 -1.00 0.00 0.00 39.48 39.20 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 0.03 -3.89 4.37 7.99 -0.83 -4.94 117.00 119.74 1ddj n LEU 716 Ca 0.00 0.50 -0.37 0.00 -0.01 0.00 0.00 56.01 56.13 1ddj n LEU 716 Cb 0.00 -0.49 0.02 0.00 -0.11 0.00 0.00 43.42 42.84 1ddj n LEU 716 CO 0.00 -0.04 -0.14 -3.20 -1.51 0.00 0.00 177.39 172.50 1ddj n ASN 717 N -1.53 -4.17 0.00 -1.43 5.15 -0.32 -1.89 115.26 111.06 1ddj n ASN 717 Ca 0.07 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 1ddj n ASN 717 Cb 0.32 -2.60 0.00 0.00 -0.53 0.00 0.00 39.78 36.97 1ddj n ASN 717 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddj n GLY 718 N -1.91 0.41 0.18 8.20 0.00 0.75 -4.90 105.19 107.91 1ddj n GLY 718 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1ddj n GLY 718 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ddj h ARG 719 N 1.06 0.00 -5.62 1.61 3.08 -1.68 -3.44 114.38 109.38 1ddj h ARG 719 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ddj h ARG 719 Cb 0.25 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.20 1ddj h ARG 719 CO 0.00 0.00 0.12 0.54 -1.07 0.00 0.00 179.97 179.56 1ddj s VAL 720 N -3.18 5.02 0.52 2.04 0.11 -1.26 -5.05 120.40 118.60 1ddj s VAL 720 Ca 0.08 1.16 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 1ddj s VAL 720 Cb 0.07 -3.94 0.10 0.00 -1.53 0.00 0.00 36.38 31.09 1ddj s VAL 720 CO 0.65 0.09 0.72 0.00 -3.33 0.00 0.00 175.10 173.23 1ddj n GLN 721 N 5.19 0.13 0.22 1.54 6.02 -1.26 -4.98 117.38 124.25 1ddj n GLN 721 Ca -0.01 -2.00 0.16 0.00 -0.01 0.00 0.00 57.00 55.13 1ddj n GLN 721 Cb 0.50 -0.46 0.69 0.00 1.02 0.00 0.00 30.24 31.98 1ddj n GLN 721 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ddj h SER 722 N -0.40 0.00 -0.02 1.08 4.64 -2.01 -2.45 113.55 114.39 1ddj h SER 722 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1ddj h SER 722 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1ddj h SER 722 CO 0.26 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.57 1ddj n THR 723 N -2.71 0.03 -4.21 2.95 -2.24 -1.26 -4.81 114.28 102.03 1ddj n THR 723 Ca 0.00 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1ddj n THR 723 Cb 0.21 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.97 1.14 0.03 -0.78 8.01 -0.92 -1.72 118.70 122.48 1ddj s GLU 724 Ca 0.10 -1.58 -0.14 0.00 0.01 0.00 0.00 54.97 53.35 1ddj s GLU 724 Cb 0.05 0.11 0.02 0.00 -4.31 0.00 0.00 34.13 29.99 1ddj s GLU 724 CO 0.07 -0.30 0.31 -0.48 0.01 0.00 0.00 175.26 174.87 1ddj s LEU 725 N -3.15 0.87 0.07 1.80 0.05 -0.63 -4.66 118.68 113.04 1ddj s LEU 725 Ca 0.32 -0.12 0.05 0.00 0.05 0.00 0.00 54.13 54.44 1ddj s LEU 725 Cb 0.07 1.33 -0.04 0.00 -2.05 0.00 0.00 46.19 45.50 1ddj s LEU 725 CO 0.08 -0.57 -0.06 0.00 -0.55 0.00 0.00 176.35 175.25 1ddj s ALA 727 N -1.18 -1.61 0.00 0.00 0.00 -1.14 -0.83 121.76 116.99 1ddj s ALA 727 Ca 0.21 1.95 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1ddj s ALA 727 Cb -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1ddj s ALA 727 CO 0.13 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1ddj n GLY 728 N 3.34 0.59 3.32 0.00 0.00 0.24 -3.06 105.19 109.63 1ddj n GLY 728 Ca -0.17 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.78 2.12 -0.24 1.61 3.76 -1.26 -4.12 115.29 113.38 1ddj s HIS 729 Ca 0.00 -0.40 0.21 0.00 -0.15 0.00 0.00 55.06 54.72 1ddj s HIS 729 Cb 0.00 -1.22 0.03 0.00 1.11 0.00 0.00 32.58 32.50 1ddj s HIS 729 CO 0.00 0.18 1.12 -0.07 -0.85 0.00 0.00 174.74 175.13 1ddj h LEU 730 N 4.48 0.00 -7.33 0.89 3.38 -1.90 -3.28 115.31 111.54 1ddj h LEU 730 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 1ddj h LEU 730 Cb 1.16 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.71 1ddj h LEU 730 CO 0.42 0.15 -0.12 0.00 0.09 0.00 0.00 178.44 178.98 1ddj s ALA 731 N -3.22 -1.12 -0.66 1.53 0.00 -1.26 -4.43 121.76 112.59 1ddj s ALA 731 Ca 0.01 0.72 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1ddj s ALA 731 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1ddj s ALA 731 CO 0.77 -0.29 0.40 0.41 0.00 0.00 0.00 175.76 177.05 1ddj n GLY 732 N 1.30 0.20 3.85 0.00 0.00 -1.25 -5.04 105.19 104.25 1ddj n GLY 732 Ca -0.20 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.00 2.22 0.59 -0.02 0.00 -1.19 -4.99 107.32 100.93 1ddj s GLY 733 Ca 0.20 -1.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.04 1ddj s GLY 733 CO 0.24 -1.79 0.85 -1.08 0.00 0.00 0.00 173.10 171.33 1ddj s THR 734 N -2.55 2.87 -0.87 0.90 -1.32 -1.26 -4.47 115.64 108.94 1ddj s THR 734 Ca 0.45 -0.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.46 1ddj s THR 734 Cb -0.01 -3.13 0.22 0.00 -1.51 0.00 0.00 72.50 68.06 1ddj s THR 734 CO 0.26 -0.11 0.77 -0.62 -2.21 0.00 0.00 174.62 172.70 1ddj s ASP 735 N -4.41 6.15 0.00 8.08 -1.08 -1.26 -3.66 116.67 120.49 1ddj s ASP 735 Ca 0.56 -3.45 -0.27 0.00 -0.52 0.00 0.00 52.55 48.88 1ddj s ASP 735 Cb -0.10 -1.98 0.06 0.00 -1.46 0.00 0.00 42.92 39.44 1ddj s ASP 735 CO 0.41 -0.27 0.62 -0.55 0.52 0.00 0.00 175.17 175.90 1ddj s SER 736 N 0.47 -0.58 -0.71 -0.34 0.15 -0.54 -5.00 113.70 107.15 1ddj s SER 736 Ca 0.25 0.47 -0.19 0.00 0.70 0.00 0.00 55.95 57.19 1ddj s SER 736 Cb -0.10 0.53 0.12 0.00 -1.71 0.00 0.00 66.02 64.86 1ddj s SER 736 CO -0.10 -0.68 0.84 0.00 1.20 0.00 0.00 173.24 174.51 1ddj s GLN 738 N 2.53 1.91 4.67 0.00 -0.21 -1.26 -4.90 119.66 122.40 1ddj s GLN 738 Ca 0.18 0.54 0.00 0.00 0.02 0.00 0.00 55.36 56.10 1ddj s GLN 738 Cb -0.17 -1.91 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1ddj s GLN 738 CO 0.01 -1.72 0.00 0.41 -2.12 0.00 0.00 175.29 171.87 1ddj n GLY 739 N -2.20 2.40 3.23 3.09 0.00 -1.26 -4.76 105.19 105.69 1ddj n GLY 739 Ca 0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 2.02 0.40 1.61 1.01 -1.26 -3.44 116.67 113.01 1ddj s ASP 740 Ca 0.00 -0.73 -0.27 0.00 0.71 0.00 0.00 52.55 52.26 1ddj s ASP 740 Cb 0.00 -0.08 -0.09 0.00 1.01 0.00 0.00 42.92 43.76 1ddj s ASP 740 CO 0.00 -0.09 1.38 0.00 0.21 0.00 0.00 175.17 176.67 1ddj s ALA 741 N -1.71 3.35 0.00 5.23 0.00 -1.26 -1.18 121.76 126.19 1ddj s ALA 741 Ca 0.05 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1ddj s ALA 741 Cb -0.07 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1ddj s ALA 741 CO 0.03 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1ddj n GLY 742 N 0.61 2.63 3.71 0.00 0.00 0.02 -0.10 105.19 112.07 1ddj n GLY 742 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.99 1.64 0.47 -0.02 0.00 -0.32 -2.88 107.32 104.21 1ddj s GLY 743 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 1ddj s GLY 743 CO 0.00 0.59 0.87 2.56 0.00 0.00 0.00 173.10 177.12 1ddj s PRO 744 N -4.84 3.80 -0.25 2.90 0.04 -1.26 -1.26 135.00 134.13 1ddj s PRO 744 Ca 0.64 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1ddj s PRO 744 Cb -0.19 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.16 1ddj s PRO 744 CO 0.57 -0.19 0.07 -1.17 0.04 0.00 0.00 177.00 176.33 1ddj s LEU 745 N -4.13 1.38 0.07 -3.56 1.98 0.15 -2.77 118.68 111.80 1ddj s LEU 745 Ca 0.54 -1.16 0.06 0.00 -2.89 0.00 0.00 54.13 50.68 1ddj s LEU 745 Cb -0.10 -0.63 -0.04 0.00 0.66 0.00 0.00 46.19 46.08 1ddj s LEU 745 CO 0.35 -0.37 -0.11 0.68 -1.89 0.00 0.00 176.35 175.01 1ddj s VAL 746 N 1.83 3.31 -0.07 1.68 -7.23 -0.34 -1.00 120.40 118.59 1ddj s VAL 746 Ca 0.04 -1.13 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 1ddj s VAL 746 Cb -0.17 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1ddj s VAL 746 CO -0.19 0.23 -0.11 0.00 -0.31 0.00 0.00 175.10 174.72 1ddj s PHE 748 N 0.84 2.96 0.00 0.00 5.36 -1.26 -1.38 117.98 124.50 1ddj s PHE 748 Ca -0.11 0.89 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1ddj s PHE 748 Cb -0.15 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 1ddj s PHE 748 CO 0.02 -3.04 0.00 -1.91 -1.46 0.00 0.00 175.22 168.83 1ddj n GLU 749 N 2.60 0.00 -0.08 10.12 0.00 0.53 -4.93 120.64 128.89 1ddj n GLU 749 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.08 1ddj n GLU 749 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.77 1ddj n GLU 749 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ddj n LYS 750 N 0.00 0.36 0.00 5.31 3.00 -1.26 -4.86 118.16 120.71 1ddj n LYS 750 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1ddj n LYS 750 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.88 1ddj n LYS 750 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ddj n ASP 751 N -3.57 0.00 -3.90 3.14 3.85 -1.26 -5.11 116.55 109.69 1ddj n ASP 751 Ca -0.32 -1.00 -0.09 0.00 -0.71 0.00 0.00 54.79 52.67 1ddj n ASP 751 Cb 0.75 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.47 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 0.00 1.48 0.05 0.11 -2.85 -1.26 -4.81 119.74 112.46 1ddj s LYS 752 Ca 0.00 -1.10 -0.07 0.00 -1.00 0.00 0.00 55.97 53.80 1ddj s LYS 752 Cb 0.00 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 1ddj s LYS 752 CO 0.00 -0.62 0.32 0.71 0.10 0.00 0.00 175.35 175.86 1ddj s TYR 753 N -3.96 3.57 -0.07 1.78 1.51 -0.07 -0.34 117.35 119.76 1ddj s TYR 753 Ca 0.17 0.63 0.05 0.00 -1.01 0.00 0.00 57.07 56.91 1ddj s TYR 753 Cb -0.01 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1ddj s TYR 753 CO 0.04 0.56 -0.24 0.42 -1.11 0.00 0.00 175.55 175.23 1ddj s ILE 754 N -1.38 1.96 -0.61 2.71 1.01 -0.48 -3.75 121.20 120.66 1ddj s ILE 754 Ca 0.31 -1.00 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 1ddj s ILE 754 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1ddj s ILE 754 CO 0.18 0.55 1.59 -0.22 0.00 0.00 0.00 174.94 177.04 1ddj s LEU 755 N 0.01 3.30 0.05 2.97 2.96 -0.46 -1.10 118.68 126.41 1ddj s LEU 755 Ca -0.08 0.18 0.22 0.00 -0.22 0.00 0.00 54.13 54.23 1ddj s LEU 755 Cb -0.15 -2.74 -0.21 0.00 0.50 0.00 0.00 46.19 43.60 1ddj s LEU 755 CO 0.05 -2.03 0.68 0.00 -1.32 0.00 0.00 176.35 173.74 1ddj n GLN 756 N 9.05 0.64 -3.76 1.98 1.13 -0.17 -4.44 117.38 121.80 1ddj n GLN 756 Ca 0.14 -0.06 -0.12 0.00 -1.94 0.00 0.00 57.00 55.02 1ddj n GLN 756 Cb 0.50 -1.64 -0.08 0.00 0.11 0.00 0.00 30.24 29.13 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 -4.51 -0.12 -0.07 1.08 0.00 -0.33 -1.85 107.32 101.52 1ddj s GLY 757 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1ddj s GLY 757 CO 0.86 -0.11 -0.10 0.14 0.00 0.00 0.00 173.10 173.90 1ddj s VAL 758 N -2.08 3.45 -0.10 1.40 1.01 -0.84 -0.68 120.40 122.57 1ddj s VAL 758 Ca -0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1ddj s VAL 758 Cb -0.03 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ddj s VAL 758 CO -0.00 0.58 1.13 -0.89 0.00 0.00 0.00 175.10 175.92 1ddj s THR 759 N -0.62 4.47 -0.34 3.92 2.01 -0.39 -1.55 115.64 123.14 1ddj s THR 759 Ca 0.09 1.77 0.01 0.00 0.31 0.00 0.00 61.69 63.86 1ddj s THR 759 Cb -0.11 -4.14 0.14 0.00 0.01 0.00 0.00 72.50 68.40 1ddj s THR 759 CO 0.02 -0.03 0.27 -0.55 -0.69 0.00 0.00 174.62 173.63 1ddj s SER 760 N 1.39 2.23 0.61 3.53 0.15 -1.26 -0.80 113.70 119.54 1ddj s SER 760 Ca 0.52 -1.68 0.30 0.00 0.70 0.00 0.00 55.95 55.79 1ddj s SER 760 Cb -0.21 0.07 1.65 0.00 -1.71 0.00 0.00 66.02 65.81 1ddj s SER 760 CO 0.18 -0.32 2.03 -0.50 1.20 0.00 0.00 173.24 175.83 1ddj h TRP 761 N 7.36 0.00 0.00 3.44 6.55 -1.87 -0.89 115.95 130.54 1ddj h TRP 761 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1ddj h TRP 761 Cb 1.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 1ddj h TRP 761 CO 0.36 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.16 1ddj n GLY 762 N -1.39 -0.93 0.10 1.49 0.00 -1.26 -1.89 105.19 101.32 1ddj n GLY 762 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1ddj n GLY 762 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ddj h LEU 763 N 0.00 0.00 0.00 0.99 3.38 -1.42 -3.49 115.31 114.78 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ddj h LEU 763 CO 0.00 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1ddj n GLY 764 N 1.39 3.56 3.94 0.83 0.00 -0.79 -4.64 105.19 109.48 1ddj n GLY 764 Ca -0.08 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.15 1.65 -2.48 0.00 0.00 -0.71 -4.31 120.51 112.51 1ddj n ALA 766 Ca 0.01 0.33 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1ddj n ALA 766 Cb 0.57 -2.52 -0.10 0.00 0.00 0.00 0.00 19.45 17.40 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 2.74 1.67 0.24 0.00 0.52 0.15 -1.47 118.95 122.81 1ddj s ARG 767 Ca 0.84 -1.86 -0.10 0.00 -0.52 0.00 0.00 55.73 54.09 1ddj s ARG 767 Cb -0.58 -1.38 0.35 0.00 0.52 0.00 0.00 34.95 33.87 1ddj s ARG 767 CO 0.41 0.07 1.60 -1.35 0.02 0.00 0.00 175.30 176.05 1ddj h PRO 768 N 2.15 0.01 0.00 3.54 0.11 -1.78 -2.84 132.00 133.19 1ddj h PRO 768 Ca -0.41 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1ddj h PRO 768 Cb 1.24 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1ddj h PRO 768 CO 0.69 0.01 -0.63 0.27 -0.21 0.00 0.00 178.00 178.13 1ddj n ASN 769 N -5.50 1.38 -3.99 -2.05 0.23 -1.26 -3.13 115.26 100.94 1ddj n ASN 769 Ca 0.12 -2.97 -0.19 0.00 -0.53 0.00 0.00 54.58 51.01 1ddj n ASN 769 Cb 0.42 -0.41 -0.15 0.00 -2.08 0.00 0.00 39.78 37.56 1ddj n ASN 769 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1ddj s LYS 770 N -1.76 0.75 0.44 -3.83 -0.14 -1.07 -4.72 119.74 109.41 1ddj s LYS 770 Ca 0.32 -0.26 -0.04 0.00 -1.36 0.00 0.00 55.97 54.63 1ddj s LYS 770 Cb 0.33 -0.72 -0.04 0.00 -1.68 0.00 0.00 37.83 35.72 1ddj s LYS 770 CO -0.09 0.12 0.73 -1.25 -0.76 0.00 0.00 175.35 174.10 1ddj s PRO 771 N 0.07 3.55 0.63 -1.68 0.04 -1.24 -0.68 135.00 135.70 1ddj s PRO 771 Ca -0.01 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 60.99 1ddj s PRO 771 Cb -0.06 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1ddj s PRO 771 CO -0.00 -0.11 1.09 0.20 0.04 0.00 0.00 177.00 178.22 1ddj s GLY 772 N -3.99 2.15 -0.11 0.56 0.00 -1.17 -4.70 107.32 100.06 1ddj s GLY 772 Ca 0.46 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.69 1ddj s GLY 772 CO 0.42 0.82 -0.20 0.14 0.00 0.00 0.00 173.10 174.28 1ddj s VAL 773 N -2.38 2.44 0.28 1.40 1.01 -0.52 -2.91 120.40 119.73 1ddj s VAL 773 Ca 0.66 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1ddj s VAL 773 Cb -0.19 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1ddj s VAL 773 CO 0.39 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.58 1ddj s TYR 774 N 0.28 2.17 0.09 5.22 1.51 -0.39 -4.37 117.35 121.87 1ddj s TYR 774 Ca -0.14 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.16 1ddj s TYR 774 Cb -0.17 -1.07 -0.06 0.00 -0.11 0.00 0.00 41.96 40.56 1ddj s TYR 774 CO 0.07 0.57 1.06 0.08 -1.11 0.00 0.00 175.55 176.22 1ddj s VAL 775 N -2.68 4.31 -0.66 0.71 1.01 -0.60 -1.60 120.40 120.89 1ddj s VAL 775 Ca 0.29 1.80 -0.25 0.00 0.00 0.00 0.00 61.98 63.82 1ddj s VAL 775 Cb -0.01 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1ddj s VAL 775 CO 0.14 0.22 1.10 -0.60 0.00 0.00 0.00 175.10 175.96 1ddj s ARG 776 N 0.38 3.22 0.23 2.72 3.52 -0.70 -1.98 118.95 126.34 1ddj s ARG 776 Ca 0.52 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 1ddj s ARG 776 Cb -0.26 -4.16 0.30 0.00 -1.56 0.00 0.00 34.95 29.28 1ddj s ARG 776 CO 0.31 -1.86 1.61 0.28 -0.81 0.00 0.00 175.30 174.83 1ddj h VAL 777 N 6.02 0.29 -0.91 7.11 2.07 -1.67 -1.58 116.25 127.58 1ddj h VAL 777 Ca -0.28 -0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.51 1ddj h VAL 777 Cb 1.06 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1ddj h VAL 777 CO 1.20 0.00 0.87 0.77 0.02 0.00 0.00 177.57 180.43 1ddj h SER 778 N 0.01 0.00 0.57 0.57 4.64 -1.84 0.43 113.55 117.92 1ddj h SER 778 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1ddj h SER 778 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1ddj h SER 778 CO -0.73 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.77 1ddj n ARG 779 N -3.68 0.42 0.00 4.77 5.12 -0.59 0.90 116.66 123.60 1ddj n ARG 779 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1ddj n ARG 779 Cb 1.17 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 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 -1.29 0.00 -0.18 -1.55 3.01 0.15 -4.76 117.46 112.84 1ddj n PHE 780 Ca 0.14 -0.05 0.04 0.00 1.01 0.00 0.00 57.45 58.59 1ddj n PHE 780 Cb 0.24 -0.00 0.31 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.34 1.10 -0.43 -4.37 2.07 -1.54 0.28 116.25 113.69 1ddj h VAL 781 Ca 0.00 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1ddj h VAL 781 Cb 0.20 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1ddj h VAL 781 CO 0.00 0.15 0.12 0.74 0.02 0.00 0.00 177.57 178.60 1ddj h THR 782 N 0.85 1.23 -0.41 2.57 2.02 -1.86 -0.52 112.91 116.79 1ddj h THR 782 Ca 0.29 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 1ddj h THR 782 Cb 0.08 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ddj h THR 782 CO -0.08 0.27 -0.17 -0.25 0.37 0.00 0.00 175.52 175.66 1ddj h TRP 783 N 0.56 0.95 0.33 3.16 7.01 -1.71 -1.94 115.95 124.32 1ddj h TRP 783 Ca 0.14 -0.23 -0.00 0.00 2.11 0.00 0.00 58.89 60.91 1ddj h TRP 783 Cb 0.29 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1ddj h TRP 783 CO 0.02 0.99 -0.50 0.82 -2.79 0.00 0.00 178.44 176.97 1ddj h ILE 784 N 0.65 0.00 -0.34 2.65 1.08 -0.18 -1.75 117.51 119.62 1ddj h ILE 784 Ca 0.10 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.54 1ddj h ILE 784 Cb 0.72 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1ddj h ILE 784 CO 0.05 0.00 0.08 -0.33 -0.69 0.00 0.00 178.15 177.27 1ddj h GLU 785 N -0.87 0.49 -0.19 2.37 5.08 -1.12 -1.70 114.58 118.65 1ddj h GLU 785 Ca -0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1ddj h GLU 785 Cb 0.80 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ddj h GLU 785 CO -0.15 0.45 0.10 0.78 -1.00 0.00 0.00 179.01 179.18 1ddj h GLY 786 N 0.70 0.29 1.00 -3.84 0.00 -1.09 -1.33 103.07 98.81 1ddj h GLY 786 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1ddj h GLY 786 CO -0.00 0.13 0.65 -2.08 0.00 0.00 0.00 176.54 175.24 1ddj h VAL 787 N 0.19 1.23 -0.65 4.60 2.07 -0.96 -0.55 116.25 122.18 1ddj h VAL 787 Ca 0.07 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1ddj h VAL 787 Cb 0.10 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 1ddj h VAL 787 CO -0.01 0.24 0.07 0.24 0.02 0.00 0.00 177.57 178.13 1ddj h MET 788 N 1.31 1.10 0.00 1.57 2.07 -0.94 -2.26 114.93 117.77 1ddj h MET 788 Ca 0.37 -0.31 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1ddj h MET 788 Cb -0.11 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.50 1ddj h MET 788 CO -0.09 1.03 -0.66 0.07 1.07 0.00 0.00 176.91 178.33 1ddj h ARG 789 N 1.01 0.00 -0.03 1.72 0.11 -1.02 -3.29 114.38 112.89 1ddj h ARG 789 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1ddj h ARG 789 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1ddj h ARG 789 CO 0.02 0.00 -0.05 0.09 0.10 0.00 0.00 179.97 180.13 1ddj n ASN 790 N -2.58 2.85 0.00 0.08 3.02 -0.23 -5.10 115.26 113.30 1ddj n ASN 790 Ca 0.02 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1ddj n ASN 790 Cb 0.51 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1ddj n ASN 790 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23