NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 D 4.5662 8.2076 120.1947 53.7679 41.5574 175.9027 504 F 4.2017 8.6203 123.3556 59.0576 37.9917 176.6756 505 C 4.4773 8.5166 119.4748 58.8702 40.9136 175.3534 506 L 4.4201 7.7815 118.0324 54.5524 41.9237 176.7059 507 E 4.2471 7.7076 119.1499 55.0825 30.0639 175.1281 508 P 4.3798 0.0000 0.0000 61.4276 32.2265 174.4418 509 P 3.5563 0.0000 0.0000 62.6988 31.3778 175.2125 510 Y 4.6289 7.8695 122.0725 56.0806 39.8592 175.3498 511 T 4.1770 8.2461 125.5988 64.8058 68.8787 176.3078 512 G 3.7172 6.7404 105.4834 44.0091 0.0000 171.3985 513 P 4.3080 0.0000 0.0000 65.0779 31.9549 177.9044 514 C 4.5251 7.8838 116.2352 57.0375 40.7302 173.2744 515 Q 4.3046 8.1400 118.7132 55.5990 29.1735 176.0601 516 A 4.1936 7.8781 119.6788 51.7442 20.2667 177.7410 517 R 4.6424 8.2417 119.1131 54.2137 29.9937 172.6916 518 I 4.4228 8.3663 122.7841 59.0101 39.7807 174.6026 519 I 4.3806 8.2994 128.3316 60.8997 38.0349 175.2622 520 R 4.8019 8.2249 125.1807 54.5679 34.8158 173.5867 521 Y 5.6691 9.2738 116.9660 56.6257 41.3620 175.4503 522 F 5.7374 9.4412 116.8623 55.4135 42.0457 172.9112 523 Y 4.4029 9.9812 123.2672 57.5554 39.4580 174.5709 524 N 4.6463 8.4142 126.7469 51.6344 38.9682 174.9527 525 A 3.6785 8.5333 132.1953 55.3976 19.0008 179.6817 526 K 4.0656 7.9107 116.7051 57.5580 31.7705 181.2608 527 A 4.1835 8.0334 120.3307 52.0052 18.9939 177.3906 528 G 3.8555 8.3526 103.9700 45.7335 0.0000 173.1857 529 L 4.5771 6.8959 117.3090 54.4074 44.1239 174.4303 530 C 5.0063 8.6295 117.3041 56.4497 40.2866 173.2415 531 Q 4.8540 8.5827 122.1099 54.1145 32.5881 174.6291 532 T 5.3098 8.5182 110.3886 60.5489 70.8751 173.5948 533 F 4.9707 8.1527 116.1332 56.1445 41.5984 172.6233 534 V 4.3852 8.4660 119.7723 61.9969 32.3863 174.1013 535 Y 4.8518 8.8678 130.0591 55.9609 40.4816 176.4030 536 G 4.0002 8.2036 113.6373 46.1849 0.0000 174.9439 537 G 3.8863 6.5348 107.2029 45.3168 0.0000 172.3514 538 C 4.8972 7.0563 111.9706 55.0968 44.3629 173.0623 539 R 3.8610 8.8163 116.1787 57.0507 26.9830 176.8857 540 A 4.2307 8.4303 119.4294 52.5693 18.9636 178.4516 541 K 4.4058 8.3372 121.2654 54.8634 33.9774 177.2199 542 R 3.6880 8.1474 118.0660 59.0745 30.3145 177.5008 543 N 4.9012 7.9176 118.1153 51.4515 36.7350 173.8831 544 N 5.0574 6.6641 116.8243 52.9174 41.6871 173.5237 545 F 5.1438 9.8258 125.3027 55.7349 42.8393 176.6200 546 K 4.3091 9.0863 119.4281 58.1256 32.9101 177.6465 547 S 4.4488 7.6670 112.4874 55.5922 67.1458 174.6339 548 A 3.3995 7.3343 124.1367 54.9627 18.0030 179.9759 549 E 3.7990 7.7821 116.7435 59.5815 29.6159 179.0813 550 D 4.2513 7.8721 118.8251 57.3492 40.8431 177.9577 551 C 2.4500 7.6052 118.4668 59.2030 44.7955 175.7262 552 L 3.7884 7.9819 120.8987 57.6210 40.9212 179.4952 553 R 3.7966 7.7397 117.9522 59.5239 30.0684 178.4721 554 T 4.0993 7.5283 114.3972 66.2694 69.0786 175.6301 555 C 4.4951 8.1274 117.1911 55.6331 41.3913 174.0918 556 G 3.8292 6.9340 108.9894 47.4414 0.0000 173.5508 557 G 3.7850 8.9965 112.1270 45.5261 0.0000 172.9795 558 A 4.0664 7.2352 127.6653 52.0814 18.4797 178.0711 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 503 D 8.21 4.57 0.00 2.65 2.62 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 0.00 504 F 8.62 4.20 0.00 3.38 3.31 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 0.00 505 C 8.52 4.48 0.00 2.86 3.05 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 0.00 0.00 0.00 506 L 7.78 4.42 0.00 1.66 1.74 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 507 E 7.71 4.25 0.00 2.16 1.89 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 2.42 2.45 0.00 508 P 0.00 4.38 0.00 2.06 1.99 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 509 P 0.00 3.56 0.00 0.56 0.49 0.00 3.22 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 510 Y 7.87 4.63 0.00 2.80 2.95 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 0.00 511 T 8.25 4.18 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 1.19 0.00 0.00 512 G 6.74 3.72 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 0.00 513 P 0.00 4.31 0.00 2.18 2.20 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 514 C 7.88 4.53 0.00 2.81 2.96 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 0.00 515 Q 8.14 4.30 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 516 A 7.88 4.19 1.17 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 0.00 517 R 8.24 4.64 0.00 1.74 1.77 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 518 I 8.37 4.42 2.03 0.00 0.00 0.82 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 0.50 0.99 0.00 0.00 519 I 8.30 4.38 1.81 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 1.27 0.42 0.73 0.00 0.00 520 R 8.22 4.80 0.00 0.88 1.91 0.00 3.40 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 521 Y 9.27 5.67 0.00 3.20 3.05 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 0.00 0.00 0.00 522 F 9.44 5.74 0.00 3.12 3.02 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 0.00 523 Y 9.98 4.40 0.00 2.99 3.16 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 0.00 524 N 8.41 4.65 0.00 2.25 2.47 0.00 0.00 6.65 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 A 8.53 3.68 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 0.00 526 K 7.91 4.07 0.00 1.74 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 527 A 8.03 4.18 1.19 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 0.00 528 G 8.35 3.86 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 0.00 529 L 6.90 4.58 0.00 1.68 1.69 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 530 C 8.63 5.01 0.00 2.92 3.21 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 0.00 0.00 0.00 0.00 531 Q 8.58 4.85 0.00 1.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 532 T 8.52 5.31 4.04 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 0.60 0.00 0.00 533 F 8.15 4.97 0.00 3.04 3.26 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 0.00 534 V 8.47 4.39 2.10 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 0.72 0.00 0.00 0.91 0.00 0.00 535 Y 8.87 4.85 0.00 2.59 2.74 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 0.00 536 G 8.20 4.00 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 0.00 537 G 6.53 3.89 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 0.00 538 C 7.06 4.90 0.00 3.06 2.98 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 0.00 0.00 0.00 539 R 8.82 3.86 0.00 2.21 2.31 0.00 3.31 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 540 A 8.43 4.23 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 541 K 8.34 4.41 0.00 1.76 1.72 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.54 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 1.20 7.81 542 R 8.15 3.69 0.00 1.20 0.78 0.00 2.36 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 0.00 543 N 7.92 4.90 0.00 3.21 2.88 0.00 0.00 6.70 7.79 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 0.00 544 N 6.66 5.06 0.00 2.74 2.59 0.00 0.00 7.09 7.02 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 0.00 545 F 9.83 5.14 0.00 3.11 2.97 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 0.00 546 K 9.09 4.31 0.00 1.83 1.94 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 547 S 7.67 4.45 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 A 7.33 3.40 0.96 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 0.00 549 E 7.78 3.80 0.00 1.97 1.93 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 2.34 2.38 0.00 550 D 7.87 4.25 0.00 2.92 2.84 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 0.00 551 C 7.61 2.45 0.00 2.91 3.05 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 0.00 0.00 0.00 552 L 7.98 3.79 0.00 1.58 1.61 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 553 R 7.74 3.80 0.00 1.84 2.00 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 554 T 7.53 4.10 4.11 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 1.61 0.00 0.00 555 C 8.13 4.50 0.00 2.69 2.18 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 0.00 556 G 6.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 G 9.00 3.79 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 0.00 558 A 7.24 4.07 0.96 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