NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 T 4.4968 8.1593 117.3244 62.7525 69.8770 173.4410 502 P 4.3378 0.0000 0.0000 61.9934 32.8156 174.1040 503 D 4.4122 8.8402 121.5781 55.3199 41.5361 176.6675 504 C 4.7937 9.0361 120.8446 57.7385 45.6216 174.0887 505 V 4.7036 7.3089 110.4348 59.9789 36.0538 173.6974 506 T 4.8942 9.2433 119.0858 60.8272 72.1064 174.1668 507 G 3.9208 7.8836 110.7256 46.5141 0.0000 171.2879 508 K 4.9025 8.1650 118.8498 55.2489 33.5816 177.4979 509 V 3.6662 8.1938 122.9793 62.8704 31.9191 175.5275 510 E 4.3178 9.1634 130.1628 59.1704 30.1811 175.7989 511 Y 4.9915 7.0201 114.9151 56.4980 41.0748 173.1042 512 T 5.0976 8.5870 109.2929 59.9921 72.5528 173.0396 513 K 4.5276 8.3192 123.2527 55.1069 36.0417 174.0603 514 Y 4.7837 8.7116 128.5626 56.7703 39.9106 174.5660 515 N 4.8767 8.2545 123.9558 51.4679 40.6010 175.7133 516 D 4.4125 8.5901 119.5064 57.0731 41.4142 176.5997 517 D 4.6762 7.9758 116.4836 52.9971 39.5351 176.3117 518 D 4.0367 7.9672 117.5230 55.2721 38.9233 173.9182 519 T 4.5556 7.6862 111.1630 60.7322 71.5170 173.0673 520 F 5.3262 9.0341 122.9408 56.8018 42.6558 173.4289 521 T 5.3603 8.7180 122.8173 61.8664 71.2893 173.8140 522 V 4.7400 9.1990 124.0751 59.7434 35.5075 174.2267 523 K 4.6457 8.3410 124.4100 54.6727 34.1918 174.8051 524 V 4.4397 7.9771 127.5452 60.7262 34.6318 174.8459 525 G 3.7124 8.8967 116.3072 47.3272 0.0000 173.6690 526 D 4.8709 8.8324 123.2404 52.3797 39.7020 175.5170 527 K 4.8167 7.9127 119.0097 54.9599 35.8874 174.6149 528 E 4.8465 9.2752 125.0501 54.6200 31.5999 174.6682 529 L 5.5353 9.1081 126.8612 52.9004 46.3428 175.4927 530 F 5.6549 9.0464 115.1983 55.5552 41.7908 173.7221 531 T 4.4893 9.0237 113.7147 60.2260 70.6862 173.7601 532 N 4.8402 8.6621 123.2682 52.6340 38.0806 174.8127 533 R 4.3018 7.6879 119.8091 55.3922 30.5072 177.3526 534 W 4.3239 9.0222 124.3171 59.9511 28.6773 178.1798 535 N 4.4446 8.3458 116.0100 56.2555 38.0057 176.9699 536 L 4.0158 7.8625 119.8096 56.7853 41.5884 179.3882 537 Q 2.8755 7.6985 118.7518 58.6920 28.6456 178.8216 538 S 4.1670 7.7985 114.5034 60.9994 63.2941 176.2843 539 L 3.8593 7.4033 122.5660 57.6899 41.3666 179.4290 540 L 4.3512 8.2952 119.1054 57.7083 41.5254 179.3047 541 L 4.1673 7.9667 120.1249 58.2702 42.0751 179.1939 542 S 4.1355 8.2894 115.0320 61.5309 62.7490 176.5517 543 A 4.1163 8.0934 123.5992 54.8640 17.9677 179.5703 544 Q 3.9387 8.2580 118.2755 59.6353 29.0348 178.5708 545 I 3.8136 8.0822 119.9663 63.6436 37.0904 177.5246 546 T 4.5480 7.6528 108.1671 60.3797 69.0345 174.5117 547 G 3.9860 7.7832 108.3407 47.2003 0.0000 174.4079 548 M 4.4034 7.9786 117.9587 55.2620 33.1731 176.1800 549 T 4.6457 8.4975 118.0054 62.4827 70.4385 174.4984 550 V 4.8470 8.8387 119.5527 59.7217 35.8388 174.7209 551 T 4.8142 8.3652 119.5014 61.9109 71.4789 172.9581 552 I 4.5318 8.4496 127.8610 59.4911 39.3676 174.7455 553 K 4.8523 8.3380 126.7858 55.0645 33.5795 175.6741 554 T 4.4690 8.0362 117.6712 61.5394 70.2282 173.2560 555 N 4.4436 9.0543 123.6048 54.9983 39.8060 175.8642 556 A 4.5176 7.6711 124.4418 51.2584 18.0932 177.7198 557 C 4.8080 7.5891 124.0008 54.3596 41.1172 171.5177 558 H 4.8956 7.3697 117.3770 53.5836 31.1996 173.7405 559 N 4.6008 8.6948 118.0584 55.3922 38.6181 175.8885 560 G 4.1155 9.3923 111.9979 45.1767 0.0000 174.0334 561 G 3.9284 7.7824 107.7288 45.8153 0.0000 173.4803 562 G 4.1687 8.3103 108.6401 45.5960 0.0000 172.3401 563 F 5.1208 7.3074 114.0928 55.9845 40.3529 174.1349 564 S 4.3846 8.7378 110.1926 57.4002 65.0368 173.4739 565 E 4.7347 8.3083 121.5200 54.7049 31.2649 175.1503 566 V 4.6655 8.2805 123.4545 61.1918 35.1444 173.9985 567 I 4.3978 8.5735 128.2827 59.5664 39.5487 174.3834 568 F 5.1066 8.8494 125.4224 55.8315 40.8802 175.9563 569 R 4.3535 8.9849 122.5380 56.2710 30.6189 175.7581 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 T 8.16 4.50 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 502 P 0.00 4.34 0.00 2.18 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 503 D 8.84 4.41 0.00 2.55 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 0.00 504 C 9.04 4.79 0.00 2.88 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.31 4.70 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 0.63 0.00 0.00 0.77 0.00 0.00 506 T 9.24 4.89 4.19 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 1.17 0.00 0.00 507 G 7.88 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 508 K 8.17 4.90 0.00 1.65 1.75 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 509 V 8.19 3.67 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 0.79 0.00 0.00 0.96 0.00 0.00 510 E 9.16 4.32 0.00 1.90 1.84 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 2.48 2.31 0.00 511 Y 7.02 4.99 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 512 T 8.59 5.10 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 1.35 0.00 0.00 513 K 8.32 4.53 0.00 1.81 1.59 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.38 7.81 514 Y 8.71 4.78 0.00 3.21 2.92 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 0.00 0.00 0.00 515 N 8.25 4.88 0.00 2.87 2.62 0.00 0.00 6.26 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 D 8.59 4.41 0.00 2.63 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 0.00 517 D 7.98 4.68 0.00 2.81 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 0.00 518 D 7.97 4.04 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 T 7.69 4.56 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 520 F 9.03 5.33 0.00 3.01 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 0.00 521 T 8.72 5.36 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 522 V 9.20 4.74 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 523 K 8.34 4.65 0.00 0.83 0.74 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.91 1.09 7.81 524 V 7.98 4.44 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 0.83 0.00 0.00 0.78 0.00 0.00 525 G 8.90 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 0.00 526 D 8.83 4.87 0.00 2.77 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 0.00 527 K 7.91 4.82 0.00 1.60 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.43 7.81 528 E 9.28 4.85 0.00 2.06 1.85 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 2.26 2.26 0.00 529 L 9.11 5.54 0.00 1.58 1.78 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 530 F 9.05 5.65 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.02 4.49 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 532 N 8.66 4.84 0.00 2.94 3.07 0.00 0.00 6.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 533 R 7.69 4.30 0.00 1.85 1.93 0.00 3.27 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 534 W 9.02 4.32 0.00 3.32 3.24 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 0.00 535 N 8.35 4.44 0.00 2.78 2.91 0.00 0.00 7.17 6.74 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 0.00 536 L 7.86 4.02 0.00 1.85 1.84 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 537 Q 7.70 2.88 0.00 1.89 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.60 2.11 0.00 538 S 7.80 4.17 0.00 4.00 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 0.00 539 L 7.40 3.86 0.00 1.62 1.42 0.93 0.40 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 0.00 540 L 8.30 4.35 0.00 2.07 2.05 1.41 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 541 L 7.97 4.17 0.00 2.00 1.72 1.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 542 S 8.29 4.14 0.00 4.04 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 0.00 543 A 8.09 4.12 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 3.94 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 545 I 8.08 3.81 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 0.93 0.00 0.00 546 T 7.65 4.55 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 1.27 0.00 0.00 547 G 7.78 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 0.00 0.00 0.00 548 M 7.98 4.40 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 549 T 8.50 4.65 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 1.19 0.00 0.00 550 V 8.84 4.85 1.78 0.00 0.00 0.00 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 0.83 0.00 0.00 551 T 8.37 4.81 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 552 I 8.45 4.53 1.51 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.32 0.24 0.00 0.00 553 K 8.34 4.85 0.00 1.59 1.69 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.28 7.81 554 T 8.04 4.47 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 555 N 9.05 4.44 0.00 2.76 2.86 0.00 0.00 6.86 7.35 0.00 0.00 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 A 7.67 4.52 1.25 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 0.00 0.00 0.00 557 C 7.59 4.81 0.00 3.08 3.03 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 0.00 0.00 0.00 558 H 7.37 4.90 0.00 3.39 3.37 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 N 8.69 4.60 0.00 2.79 2.88 0.00 0.00 7.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 560 G 9.39 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 561 G 7.78 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 0.00 0.00 0.00 562 G 8.31 4.17 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 0.00 563 F 7.31 5.12 0.00 2.95 2.88 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 0.00 564 S 8.74 4.38 0.00 3.88 3.84 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 0.00 565 E 8.31 4.73 0.00 2.13 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 2.33 2.30 0.00 566 V 8.28 4.67 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 1.07 0.00 0.00 567 I 8.57 4.40 1.77 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 1.19 0.77 0.90 0.00 0.00 568 F 8.85 5.11 0.00 2.92 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 0.00 569 R 8.98 4.35 0.00 1.84 1.78 0.00 3.15 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00