NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.3178 8.2493 123.5821 51.6046 20.5896 177.4683 502 P 4.3784 0.0000 0.0000 61.3284 32.3593 169.9672 503 V 4.4290 8.0332 119.2876 60.9276 34.7801 176.0884 504 I 4.5286 8.1334 119.3703 58.9287 40.4630 174.1426 505 N 4.6395 8.6593 124.3097 52.6512 38.7046 176.2465 506 I 3.8742 8.5054 127.1193 62.9944 35.7525 174.9304 507 E 4.2028 8.6555 114.2634 59.1726 29.7078 182.7889 508 D 4.7900 8.3072 115.8435 54.7499 40.7893 175.8486 509 L 4.7428 7.3896 118.8378 53.0455 44.0807 176.6982 510 T 4.5803 7.9341 111.9178 59.7220 72.3833 175.4286 511 E 3.8949 8.6759 119.7675 59.8680 29.1227 179.3522 512 K 3.9300 7.9529 119.6862 59.3078 32.4317 178.3613 513 D 4.3731 7.8907 118.7661 57.3038 40.6472 179.0103 514 K 3.9724 8.2932 119.0737 59.3106 32.0797 179.3258 515 L 4.0155 7.9727 121.6088 58.4918 41.6883 180.2103 516 K 3.9398 8.1008 123.4362 60.3985 31.5585 180.8677 517 M 4.3180 8.0516 119.7839 57.8559 31.7651 178.5239 518 E 3.8693 8.2903 119.7814 59.5744 29.8688 179.4530 519 V 3.7080 7.9303 111.8686 63.8303 31.6436 178.4850 520 D 4.3056 7.8311 118.8677 57.2336 40.6251 178.2433 521 Q 3.9234 7.9943 119.9494 59.3076 29.0406 178.0449 522 L 3.9676 8.0003 119.9291 58.1563 41.4951 179.8923 523 K 3.9584 8.1165 117.0881 59.2313 32.0684 179.4168 524 K 4.1324 7.8542 118.4258 59.6334 31.9959 179.3661 525 E 4.0231 8.5885 119.4956 59.2254 29.0937 179.7357 526 V 3.6508 7.9295 119.0683 64.5842 31.3397 177.0176 527 T 4.2744 7.3409 107.2234 61.2383 68.9474 174.5045 528 L 3.9121 7.8044 125.4297 55.5474 42.3689 176.8317 529 E 4.3021 8.5377 125.9077 55.3348 28.4775 175.6069 530 R 4.2347 8.1539 122.8658 55.4504 31.2156 176.5808 531 M 4.3652 8.2612 121.8135 54.1346 33.7408 175.8723 532 L 4.1116 8.2025 124.9695 55.0605 43.7310 178.5457 533 V 3.6923 8.4715 119.6772 64.1982 31.4488 178.7745 534 S 4.1107 8.0182 113.8180 61.5332 62.8320 176.4413 535 K 3.9381 8.0047 123.3272 59.1263 31.9567 178.3958 536 C 4.2343 8.1447 117.1252 62.8790 27.9374 175.8431 537 C 4.2107 8.6836 118.9288 62.7831 27.6806 176.0147 538 E 4.0110 8.5519 120.4631 59.5912 29.1266 179.2873 539 E 4.0848 8.2453 118.6165 59.2233 29.4894 179.2538 540 F 4.0273 8.5065 120.8236 61.1627 39.5309 177.0286 541 R 3.9648 8.4560 118.5067 59.6952 29.9051 177.9770 542 D 4.3532 8.5078 118.9438 57.5777 40.6345 178.2075 543 Y 3.9188 7.7610 118.4148 60.8244 39.0708 178.1489 544 V 3.5665 7.7309 118.9434 66.0207 31.7552 177.8249 545 E 3.9561 8.6614 118.6969 59.2780 29.1072 178.6544 546 E 4.2064 8.0660 116.4639 57.8363 29.8235 177.4663 547 R 4.5163 7.8302 116.1532 55.1970 32.4985 177.2083 548 S 4.1094 7.7355 113.6187 61.6981 63.1339 176.2179 549 G 3.7197 8.1644 107.4686 48.7708 0.0000 174.3005 550 E 4.2201 7.2644 120.2971 54.1621 28.0017 176.7968 551 D 4.4796 7.4277 118.1820 51.0910 43.2507 173.2463 552 P 4.3882 0.0000 0.0000 65.8373 31.0381 178.1710 553 L 4.1599 7.9275 115.8926 56.8877 41.6844 178.1849 554 V 3.9687 7.8471 118.0172 64.8861 31.9303 177.3440 555 K 4.0827 7.7428 120.1074 57.5248 32.5294 176.9632 556 G 3.9594 7.7500 103.4937 44.7115 0.0000 172.5184 557 I 4.6121 7.7011 118.2837 58.3841 40.6048 174.1993 558 P 4.4055 0.0000 0.0000 62.1466 32.1969 176.8972 559 E 3.9873 9.1606 121.3420 59.6177 29.2403 179.0300 560 D 4.4739 8.1159 116.8781 54.8016 39.5510 176.6877 561 K 4.3356 8.1943 118.0338 55.9339 33.1377 175.4772 562 N 4.7031 7.9860 120.0778 51.4249 38.1427 173.8339 563 P 4.2913 0.0000 0.0000 64.6996 31.4816 176.9752 564 F 4.6938 8.4485 117.6171 57.1824 39.2848 175.6408 565 K 4.1913 7.7981 127.6106 56.5825 31.9172 175.9593 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 A 8.25 4.32 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 0.00 502 P 0.00 4.38 0.00 2.27 2.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 503 V 8.03 4.43 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 0.88 0.00 0.00 0.93 0.00 0.00 504 I 8.13 4.53 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 0.84 0.91 0.00 0.00 505 N 8.66 4.64 0.00 2.74 2.96 0.00 0.00 7.29 7.87 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 0.00 506 I 8.51 3.87 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 1.27 0.56 0.91 0.00 0.00 507 E 8.66 4.20 0.00 1.96 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 2.26 2.15 0.00 508 D 8.31 4.79 0.00 2.79 2.72 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 0.00 509 L 7.39 4.74 0.00 1.76 1.54 0.92 0.77 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 0.00 510 T 7.93 4.58 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 1.21 0.00 0.00 511 E 8.68 3.89 0.00 2.17 2.28 0.00 0.00 0.00 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 2.33 0.00 512 K 7.95 3.93 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 513 D 7.89 4.37 0.00 3.07 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 8.29 3.97 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 515 L 7.97 4.02 0.00 1.88 1.71 0.92 0.97 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 0.00 516 K 8.10 3.94 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 517 M 8.05 4.32 0.00 2.08 2.27 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 2.72 2.54 0.00 518 E 8.29 3.87 0.00 2.16 2.12 0.00 0.00 0.00 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 7.93 3.71 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 0.83 0.00 0.00 0.93 0.00 0.00 520 D 7.83 4.31 0.00 3.04 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 7.99 3.92 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 522 L 8.00 3.97 0.00 1.92 1.72 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 523 K 8.12 3.96 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 524 K 7.85 4.13 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 3.04 0.00 0.00 0.00 0.00 1.70 1.62 7.81 525 E 8.59 4.02 0.00 1.98 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 2.32 2.44 0.00 526 V 7.93 3.65 2.17 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 0.80 0.00 0.00 0.93 0.00 0.00 527 T 7.34 4.27 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 1.21 0.00 0.00 528 L 7.80 3.91 0.00 1.90 1.62 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 529 E 8.54 4.30 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 530 R 8.15 4.23 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 531 M 8.26 4.37 0.00 1.97 1.95 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 2.55 2.52 0.00 532 L 8.20 4.11 0.00 1.80 1.53 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 533 V 8.47 3.69 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 0.85 0.00 0.00 0.92 0.00 0.00 534 S 8.02 4.11 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 0.00 535 K 8.00 3.94 0.00 1.85 2.01 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.55 7.81 536 C 8.14 4.23 0.00 3.19 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 0.00 537 C 8.68 4.21 0.00 3.20 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 8.55 4.01 0.00 2.17 2.03 0.00 0.00 0.00 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 2.54 0.00 539 E 8.25 4.08 0.00 2.23 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 2.52 0.00 540 F 8.51 4.03 0.00 3.29 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.96 0.00 2.12 2.21 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 542 D 8.51 4.35 0.00 2.72 2.89 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 0.00 543 Y 7.76 3.92 0.00 2.93 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 0.00 544 V 7.73 3.57 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 0.94 0.00 0.00 0.51 0.00 0.00 545 E 8.66 3.96 0.00 2.10 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 2.51 2.50 0.00 546 E 8.07 4.21 0.00 1.74 1.90 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 2.50 2.38 0.00 547 R 7.83 4.52 0.00 1.58 1.73 0.00 2.42 0.00 0.00 2.62 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.00 548 S 7.74 4.11 0.00 3.92 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 0.00 549 G 8.16 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 0.00 550 E 7.26 4.22 0.00 2.07 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 2.30 2.21 0.00 551 D 7.43 4.48 0.00 2.58 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 4.39 0.00 2.21 2.13 0.00 3.65 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 2.14 2.21 0.00 553 L 7.93 4.16 0.00 1.80 1.72 0.91 0.64 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 0.00 554 V 7.85 3.97 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 555 K 7.74 4.08 0.00 1.87 1.93 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.57 7.81 556 G 7.75 3.96 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 0.00 557 I 7.70 4.61 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.94 0.00 0.00 558 P 0.00 4.41 0.00 2.18 1.97 0.00 3.63 0.00 0.00 3.83 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 9.16 3.99 0.00 2.19 2.25 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 2.38 2.39 0.00 560 D 8.12 4.47 0.00 2.78 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 0.00 561 K 8.19 4.34 0.00 1.80 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.47 7.81 562 N 7.99 4.70 0.00 2.90 2.87 0.00 0.00 6.93 7.72 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 0.00 563 P 0.00 4.29 0.00 1.72 2.01 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 564 F 8.45 4.69 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 565 K 7.80 4.19 0.00 1.86 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81