NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.5337 8.3193 116.7811 58.6797 65.3959 173.7899 438 H 4.8582 7.4551 117.4852 54.4535 27.9384 171.3180 439 M 5.1105 8.1228 117.5795 54.2649 35.2146 177.6855 440 C 4.2805 8.9778 124.4555 60.0142 32.2310 174.5578 441 L 4.1514 8.7788 125.7809 56.5574 41.8244 178.3648 442 V 3.9555 7.8515 117.9916 64.6644 32.2516 176.1728 443 C 4.8506 7.6235 110.4572 56.3128 30.4328 175.0823 444 S 3.9379 8.3855 115.3214 58.9054 61.0249 169.9328 445 D 4.6031 7.5230 120.8052 53.7403 42.7441 174.2681 446 E 4.5552 8.6084 121.4755 56.0446 30.0551 175.7234 447 A 4.4426 8.3964 130.0672 51.3476 19.2100 177.2971 448 S 4.2471 8.6952 118.0821 60.1768 64.3700 174.6946 449 G 3.7431 7.3845 112.4601 44.8241 0.0000 171.0961 450 C 4.7940 8.5420 123.4868 58.2216 32.7131 173.3008 451 H 4.5975 8.8053 124.3170 55.3122 31.2549 173.2964 452 Y 3.6428 9.4621 120.4035 59.3184 35.4463 171.9802 453 G 4.1003 9.1404 106.4622 44.9640 0.0000 174.3797 454 V 4.4319 7.7945 119.3763 60.4579 35.6741 173.9816 455 L 4.6158 8.6137 129.1447 55.9826 42.5405 175.5912 456 T 5.1068 8.7728 116.2917 60.2228 73.2892 173.1001 457 C 4.4494 8.5729 117.0491 56.8664 31.5882 174.8887 458 G 3.5980 8.5811 106.2856 47.8997 0.0000 176.0204 459 S 4.2481 8.0171 116.1981 61.4624 63.1593 176.2537 460 C 4.3256 8.0765 119.9019 62.0726 27.9885 175.5672 461 K 4.1296 8.1710 121.7835 59.7981 31.8084 179.2557 462 V 3.8299 7.9192 119.1867 64.5470 31.3682 177.9643 463 F 4.0822 8.5206 121.4374 61.0591 39.2362 176.9057 464 F 4.1048 8.7151 120.2423 61.2296 39.3188 176.9072 465 K 3.5251 7.9648 118.7701 59.5975 31.9627 178.9275 466 R 3.7949 7.9186 118.0031 58.9849 29.6695 178.9558 467 A 3.4584 7.1792 120.0722 54.7011 18.2321 179.6567 468 V 3.4594 6.8138 115.6544 66.1299 31.7000 177.8300 469 E 4.1579 7.8008 116.9172 57.6438 29.6306 177.5806 470 G 3.5761 7.3024 107.0118 44.6833 0.0000 172.6640 471 Q 4.2623 8.0126 120.4304 54.4243 29.5277 174.3015 472 H 4.7993 8.0048 121.1729 54.1443 32.7203 173.5128 473 N 4.7723 8.1549 119.1629 51.1709 38.5402 173.7231 474 Y 4.5508 7.8810 119.6116 57.7271 38.8812 175.6429 475 L 4.7973 8.2960 124.1948 53.1255 45.1621 175.6624 476 C 4.2555 8.8024 125.8132 59.5719 32.1078 172.7560 477 A 4.6682 8.6070 127.6043 51.8962 20.7470 177.0716 478 G 3.8610 8.3483 104.2043 45.8594 0.0000 175.0310 479 R 4.5974 8.7437 114.7667 55.7190 32.4373 174.3499 480 N 4.3257 8.5940 112.4645 54.0831 36.0157 174.4301 481 D 4.7275 7.7436 114.7730 53.0649 41.3911 174.9528 482 C 4.3494 7.9885 115.0352 59.2494 29.0821 173.9238 483 I 3.8181 8.1752 123.9124 61.1994 36.9827 175.8369 484 I 4.2360 8.3084 126.9574 59.5544 37.7304 174.0338 485 D 5.5035 7.8909 124.1115 49.7917 42.6864 175.9989 486 K 3.8008 8.8266 119.0777 59.9950 32.1230 178.0990 487 I 3.9038 7.9117 118.7702 64.4407 37.3829 177.9567 488 R 4.0750 8.7762 118.2679 57.2178 30.2397 178.7728 489 R 3.8275 7.8148 114.5729 58.5323 29.4793 178.2249 490 K 4.0443 7.2707 117.5398 58.5142 32.1826 177.7578 491 N 4.4714 8.0514 115.9625 55.0549 38.9556 175.5009 492 C 4.4900 7.4833 117.1914 56.2260 33.0393 171.8833 493 P 3.9595 0.0000 0.0000 64.7507 30.8439 178.0773 494 A 4.2031 7.8080 119.2754 55.7140 18.4092 179.4304 495 C 4.1467 8.0267 114.6223 62.5993 28.2560 176.2291 496 R 3.8071 8.1600 120.6779 59.4859 29.6087 177.9192 497 Y 4.7732 8.7909 119.7611 61.0371 38.8091 177.8085 498 R 3.8065 8.4064 119.7729 59.6246 30.1404 178.6326 499 K 4.0084 8.4173 118.2347 59.3986 32.0245 179.0730 500 C 4.1162 8.3740 117.1090 63.0111 28.1867 176.2804 501 L 4.0663 8.1913 120.4488 57.9904 40.9893 179.6829 502 Q 4.0529 8.2143 116.8198 58.4076 28.7296 177.8112 503 A 4.2670 7.9123 120.0583 52.7121 18.5697 177.9227 504 G 3.8547 7.8345 105.4245 45.7120 0.0000 173.8811 505 M 4.2753 7.5218 118.8193 54.9517 32.3450 175.8247 506 N 5.1728 8.7978 120.5959 52.2689 42.5470 174.5237 507 L 4.0394 8.8692 125.7114 57.7947 42.3015 177.4858 508 E 4.5425 8.5143 117.6662 56.6344 29.8373 178.3573 509 A 4.1807 8.1741 123.2462 54.8201 18.8610 179.5277 510 R 4.2895 8.0899 112.5072 56.7852 30.2817 176.7258 511 K 4.2146 7.8355 123.3608 56.5001 32.3985 175.8717 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 8.32 4.53 0.00 3.89 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 0.00 438 H 7.46 4.86 0.00 3.49 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.12 5.11 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 440 C 8.98 4.28 0.00 2.99 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 0.00 441 L 8.78 4.15 0.00 1.78 1.70 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.85 3.96 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 0.83 0.00 0.00 0.95 0.00 0.00 443 C 7.62 4.85 0.00 3.06 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 0.00 444 S 8.39 3.94 0.00 4.05 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 0.00 445 D 7.52 4.60 0.00 2.79 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 8.61 4.56 0.00 2.01 1.86 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 2.31 2.40 0.00 447 A 8.40 4.44 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 448 S 8.70 4.25 0.00 4.07 4.04 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 0.00 449 G 7.38 3.74 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 0.00 0.00 0.00 450 C 8.54 4.79 0.00 2.87 2.76 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 0.00 451 H 8.81 4.60 0.00 3.09 2.78 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 9.46 3.64 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 453 G 9.14 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 0.00 0.00 0.00 0.00 454 V 7.79 4.43 2.04 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 0.99 0.00 0.00 0.92 0.00 0.00 455 L 8.61 4.62 0.00 1.80 1.55 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.77 5.11 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 1.23 0.00 0.00 457 C 8.57 4.45 0.00 3.14 3.22 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 0.00 458 G 8.58 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.09 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 0.00 460 C 8.08 4.33 0.00 3.05 3.12 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 0.00 461 K 8.17 4.13 0.00 1.68 1.99 0.00 1.34 0.00 0.00 1.38 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.43 7.81 462 V 7.92 3.83 2.15 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 0.90 0.00 0.00 0.99 0.00 0.00 463 F 8.52 4.08 0.00 3.21 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.10 0.00 3.46 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.53 0.00 1.88 1.80 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.32 7.81 466 R 7.92 3.79 0.00 1.91 1.84 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 467 A 7.18 3.46 0.16 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 0.00 0.00 468 V 6.81 3.46 1.59 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 0.69 0.00 0.00 0.18 0.00 0.00 469 E 7.80 4.16 0.00 1.95 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 2.21 2.26 0.00 470 G 7.30 3.58 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 0.00 0.00 0.00 0.00 471 Q 8.01 4.26 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 472 H 8.00 4.80 0.00 2.12 2.89 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.15 4.77 0.00 2.63 2.74 0.00 0.00 6.98 7.46 0.00 0.00 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 7.88 4.55 0.00 3.10 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 0.00 475 L 8.30 4.80 0.00 1.58 1.55 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.80 4.26 0.00 3.04 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 0.00 477 A 8.61 4.67 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 8.35 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 0.00 0.00 0.00 479 R 8.74 4.60 0.00 1.75 1.87 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 480 N 8.59 4.33 0.00 2.88 2.91 0.00 0.00 6.80 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 7.74 4.73 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.35 0.00 2.99 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 0.00 483 I 8.18 3.82 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 8.31 4.24 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.14 0.83 0.00 0.00 485 D 7.89 5.50 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 3.80 0.00 1.72 1.88 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.47 7.81 487 I 7.91 3.90 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 0.67 0.89 0.00 0.00 488 R 8.78 4.07 0.00 1.90 2.01 0.00 3.31 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 489 R 7.81 3.83 0.00 1.74 2.10 0.00 2.97 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 490 K 7.27 4.04 0.00 1.76 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.36 7.81 491 N 8.05 4.47 0.00 2.78 2.84 0.00 0.00 6.66 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 0.00 492 C 7.48 4.49 0.00 2.89 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 0.00 493 P 0.00 3.96 0.00 0.57 1.41 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 494 A 7.81 4.20 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 0.00 495 C 8.03 4.15 0.00 2.97 2.99 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 0.00 496 R 8.16 3.81 0.00 1.68 1.67 0.00 2.53 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.35 0.00 497 Y 8.79 4.77 0.00 3.43 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 0.00 498 R 8.41 3.81 0.00 1.98 2.12 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 499 K 8.42 4.01 0.00 2.05 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.71 7.81 500 C 8.37 4.12 0.00 3.60 2.99 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 0.00 501 L 8.19 4.07 0.00 1.76 1.68 0.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.21 4.05 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 503 A 7.91 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.85 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 0.00 0.00 0.00 505 M 7.52 4.28 0.00 0.65 1.13 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 506 N 8.80 5.17 0.00 2.68 2.71 0.00 0.00 7.21 8.50 0.00 0.00 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 8.87 4.04 0.00 1.62 1.68 0.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.51 4.54 0.00 2.08 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 2.32 2.27 0.00 509 A 8.17 4.18 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 510 R 8.09 4.29 0.00 1.87 2.01 0.00 3.19 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 511 K 7.84 4.21 0.00 1.89 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.37 7.81