NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 D 4.5629 8.2076 120.1951 53.7337 41.5603 175.7918 504 F 4.1286 8.6400 123.4059 59.1843 37.9473 176.8839 505 C 4.4797 8.2094 119.0205 58.9627 40.9012 175.4165 506 L 4.3727 7.8034 118.1605 54.7159 41.9026 176.7653 507 E 4.2535 7.7892 119.3442 55.1212 30.0580 175.0971 508 P 4.4343 0.0000 0.0000 61.3095 32.3077 174.3813 509 P 3.4879 0.0000 0.0000 62.7197 31.2904 175.3062 510 Y 4.5344 7.7826 122.2226 55.9568 39.7075 175.2116 511 T 4.1833 8.1977 125.6312 65.0022 68.8416 176.3681 512 G 3.8822 6.7315 104.5730 44.1128 0.0000 171.4705 513 P 4.1388 0.0000 0.0000 65.2923 31.7920 178.0607 514 C 4.2281 7.7709 115.7596 56.8022 40.6433 173.3729 515 W 5.1404 8.3118 119.8363 56.6962 29.3049 176.4602 516 A 4.2201 8.1177 121.2711 51.8736 19.3140 177.6986 517 R 4.3899 8.2249 118.7898 54.3233 29.6725 172.9723 518 I 4.4165 8.4008 122.2308 59.1086 39.7344 175.0312 519 I 4.3202 8.3271 128.5938 61.0619 37.9173 175.3208 520 R 4.8143 8.2339 125.3602 54.5893 34.7314 173.6131 521 Y 5.6764 9.2745 116.8623 56.7330 41.5303 175.4290 522 F 5.7794 9.5080 116.5677 55.5578 42.0007 172.8260 523 Y 4.3649 9.8023 123.5743 57.4833 39.5028 174.8557 524 N 4.6209 8.2183 126.4358 51.3532 38.2573 174.6737 525 A 3.8192 8.4249 131.0265 55.2572 18.8964 179.8024 526 K 4.0851 8.0540 116.5929 57.2830 31.8196 182.1204 527 A 4.2587 8.0118 120.0631 51.7950 19.2901 177.4077 528 G 3.8345 8.3940 103.8018 45.7519 0.0000 173.1006 529 L 4.6203 6.8876 117.7177 54.2986 44.3062 174.6141 530 C 4.9721 8.5854 116.9537 56.3199 39.1194 173.2557 531 Q 4.8460 8.6703 121.7770 54.1206 32.7890 174.4876 532 T 5.3239 8.5619 110.3015 60.5362 70.7491 173.7147 533 F 5.0204 8.1830 116.3880 56.0025 41.7510 172.6735 534 V 4.3501 8.4586 119.7760 62.0105 32.4333 174.1325 535 Y 4.8722 8.9227 130.0754 56.0933 40.2838 176.4570 536 G 3.9933 8.3532 113.7258 46.1923 0.0000 174.8557 537 G 3.7954 6.1624 107.0351 45.4487 0.0000 172.6071 538 C 4.9100 6.9482 112.1994 54.9218 44.6809 173.1960 539 R 3.8012 8.8086 116.4587 57.2115 26.8380 176.9023 540 A 4.2536 8.3004 119.1596 52.4708 19.1535 178.0535 541 K 4.4177 8.2133 120.4111 54.6125 34.2251 177.2079 542 R 3.6614 8.1328 118.1763 59.0793 30.3248 177.7068 543 N 4.8078 7.9135 117.8114 51.2931 37.3469 173.7082 544 N 5.0397 6.5841 116.2548 52.8363 41.4758 173.1578 545 F 5.0792 9.4953 124.8133 55.6248 42.5192 176.5100 546 K 4.3090 8.8548 121.6378 58.3109 32.8095 177.6284 547 S 4.4496 7.6749 112.4185 55.6249 67.2399 174.6287 548 A 3.4317 7.3554 123.8233 54.8274 17.9573 179.9817 549 E 3.7976 7.7749 116.8984 59.5608 29.6155 178.9547 550 D 4.2764 7.9778 118.8942 57.4289 40.8343 178.0359 551 C 2.4500 7.5938 118.3038 59.1841 44.8025 175.6984 552 L 3.7859 8.0036 120.9241 57.5671 40.9209 179.4729 553 R 3.7894 7.8504 118.1285 59.6607 30.1029 178.5313 554 T 4.0710 7.5934 114.1509 66.3455 68.8489 175.5746 555 C 4.5641 8.0709 116.7861 55.3238 41.3789 173.8597 556 G 3.7501 7.0430 109.1096 47.0224 0.0000 173.4264 557 G 3.7220 8.8846 113.5297 46.5303 0.0000 173.0136 558 A 4.1600 7.2273 128.1112 51.8229 18.9517 178.0491 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 4.56 0.00 2.73 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 8.64 4.13 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 8.21 4.48 0.00 2.97 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 0.00 506 L 7.80 4.37 0.00 1.72 1.75 0.93 1.29 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 0.00 507 E 7.79 4.25 0.00 2.25 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 2.42 2.47 0.00 508 P 0.00 4.43 0.00 2.07 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 509 P 0.00 3.49 0.00 0.61 0.49 0.00 3.24 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 510 Y 7.78 4.53 0.00 2.82 2.93 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 0.00 511 T 8.20 4.18 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 1.25 0.00 0.00 512 G 6.73 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 0.00 0.00 0.00 513 P 0.00 4.14 0.00 1.98 2.09 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 514 C 7.77 4.23 0.00 2.89 2.93 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 0.00 515 W 8.31 5.14 0.00 3.39 2.87 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 0.00 516 A 8.12 4.22 1.24 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 0.00 0.00 517 R 8.22 4.39 0.00 1.77 1.79 0.00 3.35 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 518 I 8.40 4.42 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 1.00 0.00 0.00 519 I 8.33 4.32 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 8.23 4.81 0.00 0.96 1.96 0.00 3.42 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 521 Y 9.27 5.68 0.00 3.30 3.04 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 0.00 522 F 9.51 5.78 0.00 3.12 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 0.00 523 Y 9.80 4.36 0.00 3.01 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 0.00 524 N 8.22 4.62 0.00 2.25 2.47 0.00 0.00 6.65 8.26 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 0.00 525 A 8.42 3.82 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.09 0.00 1.83 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 527 A 8.01 4.26 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 8.39 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 0.00 529 L 6.89 4.62 0.00 1.66 1.68 0.78 0.60 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 0.00 530 C 8.59 4.97 0.00 2.90 3.18 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 0.00 531 Q 8.67 4.85 0.00 1.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.09 1.87 0.00 532 T 8.56 5.32 4.03 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 0.62 0.00 0.00 533 F 8.18 5.02 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 8.46 4.35 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 0.76 0.00 0.00 0.92 0.00 0.00 535 Y 8.92 4.87 0.00 2.60 2.79 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 0.00 536 G 8.35 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 0.00 537 G 6.16 3.80 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 0.00 0.00 0.00 538 C 6.95 4.91 0.00 3.03 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 0.00 539 R 8.81 3.80 0.00 2.19 2.26 0.00 3.28 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 540 A 8.30 4.25 1.04 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 0.00 0.00 0.00 541 K 8.21 4.42 0.00 1.74 1.69 0.00 1.44 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 1.16 7.81 542 R 8.13 3.66 0.00 1.20 0.77 0.00 2.25 0.00 0.00 2.78 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.29 0.00 543 N 7.91 4.81 0.00 3.15 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 6.58 5.04 0.00 2.67 2.57 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 9.50 5.08 0.00 3.23 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 0.00 546 K 8.85 4.31 0.00 1.84 1.95 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 547 S 7.67 4.45 0.00 3.97 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 0.00 548 A 7.36 3.43 0.95 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 0.00 0.00 549 E 7.77 3.80 0.00 1.98 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 7.98 4.28 0.00 2.92 2.87 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 0.00 551 C 7.59 2.45 0.00 2.79 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 0.00 552 L 8.00 3.79 0.00 1.58 1.62 0.86 0.72 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 7.85 3.79 0.00 1.84 2.01 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 554 T 7.59 4.07 4.10 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 1.60 0.00 0.00 555 C 8.07 4.56 0.00 2.63 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 0.00 0.00 0.00 0.00 556 G 7.04 3.75 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 0.00 0.00 0.00 557 G 8.88 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 0.00 558 A 7.23 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00