NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 544 P 4.3673 0.0000 0.0000 61.9323 32.8016 175.6601 545 L 3.9743 8.3745 123.7403 53.2723 42.8783 175.1990 546 T 4.6937 8.5020 117.2551 59.3932 73.8724 174.5428 547 A 3.9903 8.3959 123.1741 55.3936 18.5224 179.8580 548 S 4.0433 8.0607 111.0642 61.8633 62.2562 176.1791 549 M 4.0761 7.7649 120.0322 58.3887 32.0049 178.4995 550 L 4.1205 8.0354 118.8176 57.8470 41.6420 179.5299 551 A 4.0907 8.3507 119.5877 54.5559 18.3801 178.8860 552 S 4.4030 7.7432 110.8657 58.1463 63.7192 174.3816 553 A 4.3572 7.1112 125.2444 50.3561 19.4139 175.7033 554 P 4.3219 0.0000 0.0000 62.3314 32.3373 175.8177 555 P 4.5026 0.0000 0.0000 65.0849 30.9970 178.4852 556 Q 4.1960 8.0519 113.9914 57.9845 28.9729 176.9093 557 E 4.4629 8.2409 120.0947 56.7584 29.7477 177.8628 558 Q 3.9797 7.8740 118.8109 58.9737 28.8431 178.7182 559 K 4.0059 7.9909 118.9501 59.4336 32.0660 179.0300 560 Q 3.9634 8.0145 119.3293 59.4171 29.0260 177.9693 561 M 4.0437 8.2425 119.8251 58.4513 31.9239 178.8260 562 L 4.1072 8.1155 119.1436 57.7424 41.7392 179.6682 563 G 3.7063 8.5794 106.0912 48.0696 0.0000 175.5451 564 E 4.0059 8.2993 119.9681 58.9413 29.4718 179.0994 565 R 4.2652 7.4142 116.6400 58.5634 30.7914 178.5458 566 L 4.1695 8.2937 119.2242 57.3421 41.6308 178.9677 567 F 4.0922 8.6008 121.3913 60.9580 39.3545 175.5096 568 P 4.2747 0.0000 0.0000 65.7353 30.4703 178.3784 569 L 3.9094 7.7504 118.2690 57.7505 41.6319 179.3426 570 I 3.7135 7.7244 119.7752 64.2791 36.7811 178.2522 571 Q 3.8217 7.9608 119.6609 58.9366 28.7782 177.8770 572 A 4.0587 7.5515 121.1175 55.3887 18.4477 179.2251 573 M 4.2530 7.4297 115.2664 57.4707 33.2495 176.8977 574 H 4.8121 8.1158 116.4229 53.1117 30.2851 171.8473 575 P 4.2596 0.0000 0.0000 65.0384 31.7899 177.5957 576 T 4.2464 7.8204 111.0909 63.9954 68.0431 175.7132 577 L 4.3052 7.8011 118.6458 55.1151 41.7979 178.2138 578 A 4.0383 7.8071 122.8326 55.2831 18.2550 180.0284 579 G 3.7582 8.2443 103.4890 47.9118 0.0000 175.7086 580 K 4.0021 8.0212 121.8787 59.2649 32.2803 178.8548 581 I 3.7316 8.1659 120.5282 64.5947 37.0191 178.5090 582 T 4.0036 8.4922 117.1950 66.6440 68.1104 176.7084 583 G 3.7370 8.0135 106.2640 48.2232 0.0000 175.2733 584 M 4.2394 8.2157 121.0475 58.2095 31.9583 178.9644 585 L 4.0893 8.3107 119.3314 57.4847 41.5640 179.0131 586 L 4.2030 7.7431 117.2094 56.3969 41.6336 178.2874 587 E 4.1981 7.8122 117.7728 56.9948 29.9134 177.1429 588 I 3.9566 7.0693 120.3382 60.6118 38.0328 176.2032 589 D 4.5982 8.3554 122.7264 53.4988 41.3029 177.3153 590 N 4.4033 8.6437 118.2416 56.2169 38.5989 177.9081 591 S 4.1013 8.0028 115.4640 61.5705 63.1040 176.1267 592 E 3.9856 8.6954 123.4059 58.6612 29.3575 178.6795 593 L 3.9969 8.1010 119.1920 57.6832 41.6574 179.2321 594 L 3.9567 8.1643 120.3917 58.3621 42.1595 178.3867 595 H 4.1397 8.3558 118.1760 59.6971 29.5508 177.1000 596 M 4.0428 8.2322 119.7010 58.3770 31.8174 178.4001 597 L 4.1145 7.9054 118.3510 57.5065 41.8770 178.6991 598 E 4.5423 7.7318 116.0442 56.2048 30.4537 176.3705 599 S 4.4676 7.5428 113.2081 54.8080 63.2328 172.0099 600 P 4.2521 0.0000 0.0000 65.6395 31.1316 178.1123 601 E 3.9582 8.1218 116.7059 59.3991 29.4093 179.4871 602 S 4.1194 7.7016 113.8940 61.3889 62.8341 176.3756 603 L 3.9261 7.9629 123.0316 58.2359 41.8565 179.0014 604 R 3.8607 8.2239 118.8329 59.4277 30.0088 178.3513 605 S 4.1266 8.1396 112.9819 61.3535 62.3207 176.4120 606 K 3.9901 7.9459 120.7584 59.2688 31.7448 179.4777 607 V 3.5700 8.0767 118.8682 66.2365 31.4085 177.8073 608 D 4.3619 8.5620 118.9512 57.2837 40.6325 178.4845 609 E 3.8826 8.2166 119.5468 59.1867 29.6424 178.6850 610 A 3.9778 8.1547 120.9541 55.1627 18.3689 179.8134 611 V 3.4513 8.1679 116.9020 65.9630 31.7026 177.9996 612 A 3.9711 8.1357 120.6681 55.2191 18.1518 179.8760 613 V 3.5121 7.8173 116.6170 65.9856 31.5949 177.9560 614 L 3.9364 8.2452 120.5117 58.4512 41.9631 179.0547 615 Q 4.1749 8.5250 118.1207 58.7723 28.5943 178.5079 616 A 4.0029 7.9778 121.7700 55.2844 18.1807 179.1512 617 H 4.0604 8.2356 115.8857 59.5640 30.0557 177.1615 618 Q 4.1152 8.2762 118.7071 58.8919 28.6058 178.4568 619 A 4.1308 7.9131 120.9143 54.7577 18.5694 178.0029 620 K 4.2124 7.8553 120.5098 57.3410 33.1330 176.6221 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 544 P 0.00 4.37 0.00 2.08 2.05 0.00 3.91 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 545 L 8.37 3.97 0.00 1.67 1.58 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 546 T 8.50 4.69 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 547 A 8.40 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 S 8.06 4.04 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 M 7.76 4.08 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 550 L 8.04 4.12 0.00 1.85 1.72 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 551 A 8.35 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 S 7.74 4.40 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 A 7.11 4.36 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 P 0.00 4.32 0.00 2.36 2.00 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 555 P 0.00 4.50 0.00 2.15 2.12 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 556 Q 8.05 4.20 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 557 E 8.24 4.46 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 558 Q 7.87 3.98 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 559 K 7.99 4.01 0.00 1.76 1.86 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.44 7.81 560 Q 8.01 3.96 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 561 M 8.24 4.04 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 562 L 8.12 4.11 0.00 1.86 1.73 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 563 G 8.58 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 564 E 8.30 4.01 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 565 R 7.41 4.27 0.00 1.94 2.00 0.00 3.34 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 566 L 8.29 4.17 0.00 1.73 1.74 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 567 F 8.60 4.09 0.00 3.24 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 P 0.00 4.27 0.00 2.31 2.35 0.00 3.84 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 569 L 7.75 3.91 0.00 1.82 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 570 I 7.72 3.71 1.72 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.86 0.00 0.00 571 Q 7.96 3.82 0.00 1.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 572 A 7.55 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 M 7.43 4.25 0.00 1.92 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 574 H 8.12 4.81 0.00 3.09 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.26 0.00 2.03 2.10 0.00 3.64 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 576 T 7.82 4.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 577 L 7.80 4.31 0.00 1.71 1.66 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 578 A 7.81 4.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 G 8.24 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 K 8.02 4.00 0.00 1.90 1.96 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.59 7.81 581 I 8.17 3.73 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 0.90 0.00 0.00 582 T 8.49 4.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 583 G 8.01 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 M 8.22 4.24 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 585 L 8.31 4.09 0.00 1.84 1.73 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 586 L 7.74 4.20 0.00 1.79 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 587 E 7.81 4.20 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 588 I 7.07 3.96 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.92 0.00 0.00 589 D 8.36 4.60 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 N 8.64 4.40 0.00 2.76 2.91 0.00 0.00 6.60 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 S 8.00 4.10 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 E 8.70 3.99 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 593 L 8.10 4.00 0.00 1.90 1.72 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 594 L 8.16 3.96 0.00 1.76 1.83 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 595 H 8.36 4.14 0.00 3.24 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 M 8.23 4.04 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.59 0.00 597 L 7.91 4.11 0.00 1.88 1.73 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 598 E 7.73 4.54 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 599 S 7.54 4.47 0.00 3.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 P 0.00 4.25 0.00 2.18 2.08 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 601 E 8.12 3.96 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 602 S 7.70 4.12 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 603 L 7.96 3.93 0.00 1.96 1.79 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 604 R 8.22 3.86 0.00 1.98 2.03 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 605 S 8.14 4.13 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 606 K 7.95 3.99 0.00 1.94 1.84 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.60 7.81 607 V 8.08 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.00 0.00 0.00 608 D 8.56 4.36 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 E 8.22 3.88 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 610 A 8.15 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 V 8.17 3.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.74 0.00 0.00 612 A 8.14 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 V 7.82 3.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 614 L 8.25 3.94 0.00 1.83 1.66 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 615 Q 8.53 4.17 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 616 A 7.98 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 H 8.24 4.06 0.00 3.25 3.54 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 Q 8.28 4.12 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 619 A 7.91 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 620 K 7.86 4.21 0.00 1.92 1.79 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.40 7.81