NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.4802 8.3344 116.7912 58.9193 64.2432 174.4327 438 H 4.5909 8.9060 125.0738 57.3643 32.6017 170.5135 439 M 5.1528 8.0992 116.2161 53.0185 35.2442 175.2797 440 C 4.3419 9.2231 123.7365 59.7579 32.1422 174.7226 441 L 4.1253 8.8947 126.7082 56.9828 41.6879 178.5999 442 V 3.9202 7.8596 117.9422 64.7153 32.1760 176.1745 443 C 4.9960 7.5833 110.3440 56.1643 30.7068 175.2068 444 S 4.0433 8.1600 115.2691 58.7041 61.0693 169.3416 445 D 4.5852 7.5604 120.6729 53.5359 42.7918 174.4128 446 E 4.4202 8.7049 121.4835 56.3838 29.7160 176.4345 447 A 4.4914 9.1120 130.0589 52.3306 18.9178 177.1386 448 S 4.5739 9.7072 114.0679 57.4695 64.6563 174.4921 449 G 3.6097 7.1203 107.5054 46.0402 0.0000 170.3861 450 C 4.6923 7.9405 120.8725 58.1148 31.2963 172.7006 451 H 4.6287 8.7074 125.0367 55.1577 30.9082 174.3106 452 Y 4.0341 8.9885 119.6540 59.0612 35.4149 172.2350 453 G 4.0207 9.2506 107.9568 44.9327 0.0000 174.1892 454 V 4.4777 7.6719 118.7967 60.5419 35.7998 174.1299 455 L 4.6335 8.4441 128.2414 55.5252 42.9261 175.7141 456 T 5.1472 8.9085 116.1722 60.0862 73.2088 173.2938 457 C 4.9147 8.6751 117.4530 57.4445 31.0650 174.8680 458 G 3.6557 8.1071 105.7356 47.5721 0.0000 176.3285 459 S 4.2465 8.0214 116.2869 61.7545 63.2508 176.2946 460 C 4.3706 8.1131 120.0042 62.0155 27.9842 175.4580 461 K 4.1237 8.1103 121.4925 59.9675 31.8384 179.1205 462 V 3.9230 7.9234 118.2823 64.1980 31.4562 178.0785 463 F 4.1199 8.5307 121.9487 61.1685 39.2509 176.9036 464 F 4.1869 8.6668 120.4043 61.0569 39.2545 176.9048 465 K 3.4796 8.0593 119.1589 59.6996 31.9094 178.9706 466 R 3.7972 7.7175 117.4230 58.8750 29.6964 178.9162 467 A 3.5419 7.4066 119.9575 55.0912 18.4127 179.6674 468 V 3.4278 7.3243 115.7331 65.5593 31.5640 177.4401 469 E 4.2338 7.7578 117.1071 58.8657 30.0523 177.1918 470 G 3.8336 7.8639 105.2473 42.9125 0.0000 172.0740 471 Q 4.4588 7.6959 118.3300 54.3901 30.3929 176.5371 472 H 3.9180 8.4572 118.7952 57.6134 29.5362 175.2234 473 N 4.5125 7.1110 119.0197 53.8605 36.9735 173.4440 474 Y 4.8973 7.2939 116.8064 56.4468 40.4370 175.6720 475 L 4.7066 8.2460 123.4045 53.2341 44.7404 175.7436 476 C 4.2606 8.7973 126.3032 59.4254 32.1129 172.8176 477 A 4.5984 8.6031 127.7424 52.2835 20.1404 178.0021 478 G 4.2265 7.4112 103.5466 45.9999 0.0000 174.9212 479 R 4.5793 8.2560 120.6774 55.7690 30.8033 175.3140 480 N 4.5524 8.6359 111.5662 54.2005 35.9601 174.4835 481 D 4.8289 7.4995 115.0795 52.5768 39.8529 175.3304 482 C 4.1852 8.2323 116.7893 60.9452 28.7726 173.9275 483 I 3.8057 8.2218 124.5467 61.3496 37.2162 176.0828 484 I 4.2108 8.2686 126.6341 59.5167 37.4227 174.1143 485 D 5.8486 7.7790 125.5065 50.0992 42.1930 176.9431 486 K 3.8746 8.6193 118.9724 59.6874 32.3182 178.5645 487 I 3.9865 7.8272 117.7963 63.6039 38.2218 177.2305 488 R 4.0605 9.2869 118.4761 57.3332 29.8729 178.6843 489 R 3.8225 7.7784 116.2126 59.0215 29.4209 178.6814 490 K 4.0497 7.3319 118.1871 58.9291 31.9776 178.4781 491 N 4.6338 8.0152 117.0694 54.5717 39.2169 175.2018 492 C 4.5837 7.4453 127.9329 56.6351 32.0472 172.4844 493 P 4.0610 0.0000 0.0000 64.6612 30.8584 178.1855 494 A 4.1151 7.7571 119.4911 55.6635 18.3756 179.4107 495 C 4.2073 8.0090 114.4976 62.6319 28.2845 176.2039 496 R 3.8052 7.9877 120.7708 59.4242 29.5704 177.9462 497 Y 4.5673 8.7379 119.9946 60.7013 38.8730 177.6246 498 R 3.8081 8.3376 119.7945 59.4508 30.1022 178.7142 499 K 4.3092 8.3700 118.3809 59.4746 31.9549 179.2434 500 C 4.0904 7.9894 117.1155 62.7076 28.0751 176.1070 501 L 3.8824 7.7972 120.5343 57.9273 40.9873 179.5601 502 Q 3.9579 8.3099 116.8599 58.8951 28.7355 178.5703 503 A 4.1445 8.0198 120.7189 53.4804 18.3774 178.3509 504 G 3.9182 7.7975 105.3226 45.2322 0.0000 173.8184 505 M 4.2071 7.3137 119.2606 55.4883 32.3830 175.7440 506 N 5.1714 8.8098 118.2726 51.6798 40.6307 175.7623 507 L 4.1315 8.9070 121.7774 57.8400 41.9085 177.2969 508 E 4.5489 8.0612 116.2239 56.1891 30.0317 177.5357 509 A 4.4860 7.7290 122.5601 54.7876 18.5858 178.9874 510 R 4.1239 8.0960 116.8903 56.8114 30.0993 176.7716 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 437 S 8.33 4.48 0.00 3.88 3.35 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 0.00 0.00 0.00 0.00 438 H 8.91 4.59 0.00 3.25 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.10 5.15 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 440 C 9.22 4.34 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 441 L 8.89 4.13 0.00 1.80 1.69 0.91 1.11 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 0.00 442 V 7.86 3.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 443 C 7.58 5.00 0.00 3.05 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 0.00 444 S 8.16 4.04 0.00 4.08 4.07 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 0.00 445 D 7.56 4.59 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 E 8.70 4.42 0.00 2.02 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 2.32 2.43 0.00 447 A 9.11 4.49 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 0.00 448 S 9.71 4.57 0.00 3.89 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 0.00 449 G 7.12 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 C 7.94 4.69 0.00 2.85 2.78 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 0.00 0.00 0.00 0.00 451 H 8.71 4.63 0.00 3.09 2.68 0.00 5.82 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 0.00 452 Y 8.99 4.03 0.00 3.11 3.13 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 0.00 453 G 9.25 4.02 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 0.00 0.00 0.00 454 V 7.67 4.48 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 0.98 0.00 0.00 0.91 0.00 0.00 455 L 8.44 4.63 0.00 1.79 1.52 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.91 5.15 4.31 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 1.27 0.00 0.00 457 C 8.68 4.91 0.00 3.16 3.23 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 0.00 458 G 8.11 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 S 8.02 4.25 0.00 4.11 4.16 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 0.00 460 C 8.11 4.37 0.00 3.07 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 0.00 461 K 8.11 4.12 0.00 1.77 1.97 0.00 1.16 0.00 0.00 1.32 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.42 7.81 462 V 7.92 3.92 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 0.91 0.00 0.00 0.99 0.00 0.00 463 F 8.53 4.12 0.00 3.30 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 F 8.67 4.19 0.00 3.49 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 K 8.06 3.48 0.00 1.97 1.82 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 466 R 7.72 3.80 0.00 1.95 1.82 0.00 3.34 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 467 A 7.41 3.54 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 V 7.32 3.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.02 0.00 0.00 469 E 7.76 4.23 0.00 1.97 1.88 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 2.20 2.22 0.00 470 G 7.86 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 0.00 471 Q 7.70 4.46 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 472 H 8.46 3.92 0.00 2.98 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 7.11 4.51 0.00 2.60 2.67 0.00 0.00 7.09 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 Y 7.29 4.90 0.00 3.00 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 0.00 475 L 8.25 4.71 0.00 1.57 1.54 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.80 4.26 0.00 3.05 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 0.00 477 A 8.60 4.60 1.28 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 0.00 0.00 0.00 0.00 0.00 478 G 7.41 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 0.00 0.00 0.00 0.00 479 R 8.26 4.58 0.00 1.99 1.88 0.00 3.28 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 480 N 8.64 4.55 0.00 2.89 2.93 0.00 0.00 6.90 8.06 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 0.00 481 D 7.50 4.83 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 482 C 8.23 4.19 0.00 2.96 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 0.00 483 I 8.22 3.81 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.89 0.00 0.00 484 I 8.27 4.21 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.86 0.00 0.00 485 D 7.78 5.85 0.00 2.84 2.78 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 0.00 0.00 0.00 0.00 486 K 8.62 3.87 0.00 1.72 1.87 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.38 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.54 7.81 487 I 7.83 3.99 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.94 0.00 0.00 488 R 9.29 4.06 0.00 1.90 1.91 0.00 3.16 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 1.62 1.71 0.00 489 R 7.78 3.82 0.00 1.81 2.15 0.00 3.00 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 490 K 7.33 4.05 0.00 1.70 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 491 N 8.02 4.63 0.00 2.83 2.81 0.00 0.00 6.71 7.19 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 0.00 492 C 7.45 4.58 0.00 2.88 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 0.00 493 P 0.00 4.06 0.00 0.84 1.84 0.00 3.55 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 494 A 7.76 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 C 8.01 4.21 0.00 2.96 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 0.00 496 R 7.99 3.81 0.00 1.63 1.60 0.00 2.64 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.34 0.00 497 Y 8.74 4.57 0.00 3.45 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 498 R 8.34 3.81 0.00 1.99 2.10 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 499 K 8.37 4.31 0.00 2.07 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 500 C 7.99 4.09 0.00 3.32 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 0.00 501 L 7.80 3.88 0.00 1.66 1.62 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.31 3.96 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 503 A 8.02 4.14 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 0.00 504 G 7.80 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 0.00 505 M 7.31 4.21 0.00 0.78 0.93 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 506 N 8.81 5.17 0.00 3.01 2.94 0.00 0.00 6.87 6.19 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 0.00 507 L 8.91 4.13 0.00 1.70 1.82 0.89 0.44 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 0.00 508 E 8.06 4.55 0.00 1.99 2.01 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 2.31 2.40 0.00 509 A 7.73 4.49 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 R 8.10 4.12 0.00 1.85 1.90 0.00 3.27 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00