NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 M 4.4621 8.3049 120.3265 54.7136 32.6439 174.8163 502 P 4.2036 0.0000 0.0000 61.7032 32.5023 171.4232 503 V 4.0480 8.0493 115.1469 60.2835 32.8549 175.4935 504 I 4.3408 8.0634 118.8872 59.4697 39.1337 175.0046 505 N 4.7469 8.2605 120.7616 52.7302 41.6060 173.8467 506 I 4.1689 8.1780 126.6647 60.8807 38.4407 175.6006 507 E 4.3654 8.6267 122.0036 57.0708 29.3194 177.1127 508 D 4.7149 7.7773 118.1015 53.6435 39.6813 176.6554 509 L 4.2577 7.5924 119.5210 55.5071 42.6084 177.7879 510 T 4.3039 8.3777 112.1027 60.9166 71.1219 175.7263 511 E 3.9361 8.6607 120.9896 59.8291 29.4874 179.7952 512 K 4.0720 8.0111 118.7469 59.4656 32.2344 178.3574 513 D 4.4522 7.8788 119.0837 57.1720 40.6186 178.9133 514 K 4.0275 8.0941 119.0031 59.2963 32.1970 179.3993 515 L 3.9908 8.3655 119.7208 57.7025 41.4677 179.4357 516 K 3.9179 8.5079 118.8557 59.9584 32.0581 179.0369 517 M 4.2846 7.9168 119.6372 57.6940 31.7923 178.6455 518 E 3.8997 8.2819 119.3879 59.5553 29.9178 179.3611 519 V 3.6284 7.8940 112.3240 64.3213 31.2381 178.3325 520 D 4.2812 8.1078 118.7302 57.4693 40.6700 178.4253 521 Q 3.9782 8.1668 119.8490 59.4292 29.1870 178.5263 522 L 3.9934 8.2832 120.0567 57.5704 41.4368 179.8365 523 K 3.9852 7.9433 118.6817 59.1706 31.8650 179.1713 524 K 3.9031 7.8873 118.6721 59.7488 32.2909 178.4617 525 E 4.0961 8.5714 118.9850 59.1482 29.0502 179.5261 526 V 3.6642 7.3954 117.9430 65.8948 31.6661 176.8533 527 T 4.1647 7.3954 105.3071 61.8633 68.6996 173.8834 528 L 4.1532 7.4603 125.4354 54.7674 42.5115 175.9092 529 E 4.2710 8.7095 126.1403 55.8410 30.2121 176.3208 530 R 4.5862 8.3527 122.4609 54.7724 32.5110 175.0379 531 M 4.5837 8.0400 118.7657 53.2537 34.5845 175.4652 532 L 4.0967 8.2302 126.2884 54.8981 43.0603 178.1472 533 V 3.6459 8.6308 119.3061 64.6328 31.2866 178.4386 534 S 4.0736 8.0823 112.2993 61.5499 61.8899 176.2126 535 K 4.0711 7.9658 121.5293 59.4371 31.8075 178.6966 536 C 4.1998 7.8794 116.8288 62.8700 28.2317 175.4562 537 C 4.1721 8.7074 118.5937 62.9987 27.7081 175.8470 538 E 4.0336 8.4336 120.2787 59.8572 29.0933 179.5475 539 E 4.0322 8.0377 117.9101 59.0384 29.4577 179.2990 540 F 3.9628 8.4268 120.9907 61.2150 39.5547 177.0061 541 R 3.9934 8.6409 118.8302 59.5818 29.7902 177.5947 542 D 4.3020 8.3031 117.7270 57.7131 40.9930 177.5925 543 Y 3.8761 7.7095 118.3334 60.7843 38.9968 178.1271 544 V 3.6542 7.7717 119.0465 65.7437 31.2188 177.5811 545 E 3.9037 8.5777 119.8108 59.1660 29.3740 178.2095 546 E 3.9436 7.7698 113.7072 57.5461 30.2372 177.1822 547 R 4.4025 7.1154 118.0057 56.4542 32.3556 178.2272 548 S 4.2541 8.2946 114.0317 61.2269 62.5574 176.6519 549 G 3.7007 8.0974 107.8499 46.4953 0.0000 173.8940 550 E 4.5918 7.7070 118.8852 54.6739 30.5934 174.9426 551 D 4.4602 7.6001 119.4996 54.1137 41.9820 175.1188 552 P 4.3179 0.0000 0.0000 65.4079 31.1981 177.9113 553 L 4.3342 7.8833 114.9768 55.5848 41.8387 178.5001 554 V 3.9632 7.3940 117.7190 65.1983 32.2411 177.1749 555 K 4.2320 7.7663 116.1337 56.0420 32.6153 177.9853 556 G 4.0459 7.4039 104.3993 45.2010 0.0000 172.6394 557 I 4.4268 7.7790 120.6132 58.3663 39.1256 174.2912 558 P 4.3567 0.0000 0.0000 62.2227 31.7476 176.9645 559 E 3.9017 8.9631 123.7722 59.3112 29.5803 177.7179 560 D 4.5213 8.0304 117.0447 56.3152 41.2844 176.9695 561 K 4.2945 8.0833 117.0813 56.0579 32.1921 175.6585 562 N 4.8336 7.7795 119.2214 51.1691 39.3394 173.6762 563 P 4.1252 0.0000 0.0000 65.0303 31.5018 177.2035 564 F 4.7311 8.1162 115.5712 56.7472 39.1501 175.9503 565 K 3.9937 7.8082 121.7263 56.1673 32.3270 175.1129 566 E 3.8157 8.7757 124.5490 55.8252 29.0393 176.4531 567 L 3.9664 8.4585 127.7524 55.6593 42.4626 177.1370 568 K 4.1769 8.3914 124.0784 56.8562 33.1303 175.9167 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 501 M 8.30 4.46 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 502 P 0.00 4.20 0.00 2.12 1.98 0.00 3.66 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 2.02 2.16 0.00 503 V 8.05 4.05 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 0.73 0.00 0.00 0.93 0.00 0.00 504 I 8.06 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.91 0.00 0.00 505 N 8.26 4.75 0.00 2.65 2.69 0.00 0.00 7.09 7.94 0.00 0.00 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 I 8.18 4.17 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 0.97 0.00 0.00 507 E 8.63 4.37 0.00 2.00 1.96 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 2.39 2.24 0.00 508 D 7.78 4.71 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 L 7.59 4.26 0.00 1.68 1.63 0.97 0.73 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 0.00 510 T 8.38 4.30 4.24 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 0.00 0.00 1.25 0.00 0.00 511 E 8.66 3.94 0.00 2.07 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 2.40 2.44 0.00 512 K 8.01 4.07 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 513 D 7.88 4.45 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 K 8.09 4.03 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 515 L 8.37 3.99 0.00 1.85 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 516 K 8.51 3.92 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.71 7.81 517 M 7.92 4.28 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.42 0.00 518 E 8.28 3.90 0.00 2.16 2.13 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 2.30 2.35 0.00 519 V 7.89 3.63 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 0.76 0.00 0.00 1.02 0.00 0.00 520 D 8.11 4.28 0.00 2.88 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 0.00 521 Q 8.17 3.98 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 522 L 8.28 3.99 0.00 1.95 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 523 K 7.94 3.99 0.00 2.03 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 524 K 7.89 3.90 0.00 1.76 2.00 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 525 E 8.57 4.10 0.00 2.17 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 2.33 2.49 0.00 526 V 7.40 3.66 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 527 T 7.40 4.16 4.24 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 0.00 0.00 1.27 0.00 0.00 528 L 7.46 4.15 0.00 1.59 1.78 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 529 E 8.71 4.27 0.00 2.00 1.87 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 2.29 2.27 0.00 530 R 8.35 4.59 0.00 1.78 1.83 0.00 3.17 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 531 M 8.04 4.58 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 532 L 8.23 4.10 0.00 1.76 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 533 V 8.63 3.65 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 0.77 0.00 0.00 0.92 0.00 0.00 534 S 8.08 4.07 0.00 3.89 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 0.00 535 K 7.97 4.07 0.00 1.96 1.94 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.54 7.81 536 C 7.88 4.20 0.00 3.22 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 0.00 537 C 8.71 4.17 0.00 3.10 3.01 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 0.00 0.00 0.00 538 E 8.43 4.03 0.00 2.03 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 2.36 2.50 0.00 539 E 8.04 4.03 0.00 2.24 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 2.37 2.42 0.00 540 F 8.43 3.96 0.00 3.20 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 0.00 541 R 8.64 3.99 0.00 1.95 2.26 0.00 3.36 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 542 D 8.30 4.30 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 Y 7.71 3.88 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.65 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 1.01 0.00 0.00 0.59 0.00 0.00 545 E 8.58 3.90 0.00 2.15 1.91 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 2.29 2.32 0.00 546 E 7.77 3.94 0.00 2.02 1.99 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 2.44 2.07 0.00 547 R 7.12 4.40 0.00 1.51 1.78 0.00 2.21 0.00 0.00 2.71 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.00 548 S 8.29 4.25 0.00 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 E 7.71 4.59 0.00 1.91 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 2.20 2.30 0.00 551 D 7.60 4.46 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.22 2.11 0.00 3.65 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 2.13 2.19 0.00 553 L 7.88 4.33 0.00 1.66 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 554 V 7.39 3.96 2.32 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 0.93 0.00 0.00 0.99 0.00 0.00 555 K 7.77 4.23 0.00 1.79 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.81 7.81 556 G 7.40 4.05 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 0.00 0.00 0.00 557 I 7.78 4.43 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.97 0.00 0.00 558 P 0.00 4.36 0.00 2.18 1.98 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 559 E 8.96 3.90 0.00 1.91 2.02 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 2.31 2.43 0.00 560 D 8.03 4.52 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 K 8.08 4.29 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.36 7.81 562 N 7.78 4.83 0.00 2.74 2.85 0.00 0.00 7.11 7.71 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 0.00 563 P 0.00 4.13 0.00 1.48 1.78 0.00 3.81 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 1.99 2.04 0.00 564 F 8.12 4.73 0.00 3.16 3.07 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 0.00 565 K 7.81 3.99 0.00 1.89 1.73 0.00 2.11 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.74 7.81 566 E 8.78 3.82 0.00 1.98 1.95 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 2.32 2.35 0.00 567 L 8.46 3.97 0.00 1.64 1.61 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 568 K 8.39 4.18 0.00 1.72 1.61 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.53 7.81