NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 439 M 4.5311 8.3044 120.3477 54.9818 33.5824 174.7819 440 C 3.8622 8.4317 126.7271 59.2758 31.7902 173.0725 441 L 4.0234 8.5834 128.1274 57.1174 42.0037 177.5391 442 V 3.9409 7.3831 117.5826 63.7475 32.4325 175.7149 443 C 4.6599 7.7230 110.9382 56.4043 30.1340 173.8836 444 S 4.7074 8.1097 113.2193 58.3182 61.1295 174.2300 445 D 4.7660 7.5521 119.8974 53.8806 40.7420 174.6989 446 E 4.9459 8.4561 116.0711 54.2346 33.1185 175.3767 447 A 4.5410 8.4128 124.7087 52.0752 19.3538 177.6534 448 S 4.5803 8.5839 114.2678 57.5944 64.9541 175.8397 449 G 3.7718 7.1345 107.3408 46.2998 0.0000 169.9152 450 C 4.7884 8.1625 122.7977 58.1293 32.7355 173.5503 451 H 4.6820 9.1823 124.3470 55.4670 31.5888 173.3712 452 Y 4.0006 9.3077 120.2255 59.1740 35.4825 172.5957 453 G 4.0830 9.4942 106.6658 44.9988 0.0000 173.9565 454 V 4.4762 7.6382 118.6082 60.8454 35.9671 173.8190 455 L 4.7400 8.4717 127.9475 55.0733 42.7810 175.5598 456 T 5.1078 8.6553 116.0733 59.8248 73.0584 173.4481 457 C 4.4202 8.7085 117.3854 57.7524 30.9066 174.9591 458 G 3.6237 8.6484 107.1785 47.8365 0.0000 176.1473 459 S 4.2375 8.0375 116.1712 61.6367 63.1677 176.3199 460 C 4.3724 8.1155 119.8389 62.0324 27.8780 175.5429 461 K 4.0797 7.9897 121.3056 59.9988 31.7182 179.2718 462 V 3.7909 7.8986 112.0223 64.1790 31.4874 178.3311 463 F 4.1689 8.5155 120.5670 61.2850 39.1530 176.9368 464 F 4.1414 8.5109 120.0354 61.2113 39.2756 176.6208 465 K 3.4578 8.0872 119.2127 59.8001 31.9330 178.7883 466 R 3.7955 8.1567 117.9483 58.9671 29.3959 178.9324 467 A 3.5713 7.8100 120.8816 55.0180 18.0689 179.9355 468 V 3.3021 7.0918 115.5440 65.9081 31.5813 177.6250 469 E 4.0068 7.6978 118.1667 59.1958 29.9989 178.6880 470 G 3.3890 7.9146 104.6961 45.2581 0.0000 175.1879 471 Q 3.7926 7.2629 117.9621 56.4904 29.4428 173.6005 472 H 3.7873 6.9958 113.1010 55.2997 28.9815 173.7694 473 N 4.6643 8.2852 118.0577 51.9056 39.7386 174.1162 474 Y 4.9556 8.3254 120.8352 56.0554 40.2220 174.7999 475 L 4.7797 8.3391 124.3054 53.0943 44.6849 175.7300 476 C 4.2762 8.7419 125.8235 59.4550 32.1519 172.7390 477 A 4.6717 8.5852 127.3838 51.8640 20.7805 177.0606 478 G 3.8569 8.4074 103.8174 45.8431 0.0000 174.7184 479 R 4.6042 8.7191 114.4815 55.5573 32.4385 174.4303 480 N 4.3325 8.6200 112.7684 53.9543 36.1742 174.7302 481 D 4.7505 7.7180 113.6326 52.1427 39.3447 174.9878 482 C 4.3419 7.8328 115.8904 60.3287 29.2279 174.1632 483 I 3.7546 8.1576 123.3229 61.4076 36.7230 175.9895 484 I 4.2340 8.3109 126.6926 59.5390 37.6227 174.0299 485 D 5.0685 7.9398 124.3995 50.7182 42.7410 176.1217 486 K 3.7155 8.8034 119.2748 59.6970 31.9584 177.6663 487 I 4.0543 7.8226 116.0563 62.7839 38.6643 176.8168 488 R 4.2711 9.1506 117.8239 56.4272 29.7784 178.4838 489 R 3.7369 8.0468 119.8757 59.4322 29.9395 178.4716 490 K 3.6252 7.8243 116.4240 58.8831 32.2767 178.1232 491 N 4.6717 7.7920 116.6013 54.9850 39.4615 174.6630 492 C 4.6265 7.4215 121.4160 55.6930 32.0232 172.0957 493 P 3.9809 0.0000 0.0000 64.7033 30.8459 178.2816 494 A 4.1568 7.7399 120.5414 55.6322 18.4299 179.2720 495 C 4.1352 7.9991 114.7049 62.6652 28.3784 176.1252 496 R 3.8094 8.2579 120.8610 59.6325 29.6246 178.0435 497 Y 4.6567 8.5235 119.5015 60.6246 38.8310 177.4147 498 R 3.7857 8.4687 120.2975 59.3251 30.1918 178.2788 499 K 4.2175 8.0770 116.9531 58.5949 32.8331 178.7976 500 C 4.0308 7.9172 118.8094 63.0262 28.2949 175.4865 501 L 3.9298 7.6450 120.4324 58.0806 41.0737 179.3235 502 Q 4.2326 7.8756 114.7273 57.0150 29.0243 177.0335 503 A 4.4147 7.3149 120.5348 51.7166 19.2968 177.6852 504 G 4.0153 7.5996 104.9775 45.0349 0.0000 174.4324 505 M 4.1880 7.5234 119.4059 55.4965 32.3587 175.4849 506 N 4.7216 8.3068 116.6136 53.0618 42.7517 174.8130 507 L 4.2464 9.0050 125.8712 57.4506 42.0342 177.4649 508 E 4.3516 8.3194 117.6439 55.0817 28.0832 175.3041 509 A 4.6620 8.2210 130.7456 53.2684 19.8795 178.1625 510 R 4.1806 7.9763 122.9462 57.9660 29.5516 179.7326 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 439 M 8.30 4.53 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 440 C 8.43 3.86 0.00 2.99 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 0.00 441 L 8.58 4.02 0.00 1.78 1.70 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 442 V 7.38 3.94 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 0.82 0.00 0.00 0.93 0.00 0.00 443 C 7.72 4.66 0.00 3.08 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 0.00 444 S 8.11 4.71 0.00 3.96 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 0.00 445 D 7.55 4.77 0.00 2.65 2.46 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 0.00 0.00 0.00 0.00 446 E 8.46 4.95 0.00 1.94 1.79 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 2.29 2.26 0.00 447 A 8.41 4.54 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 0.00 448 S 8.58 4.58 0.00 3.99 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 0.00 449 G 7.13 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.79 0.00 2.86 2.75 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 0.00 451 H 9.18 4.68 0.00 3.10 2.83 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 9.31 4.00 0.00 3.10 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 0.00 453 G 9.49 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 V 7.64 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 0.87 0.00 0.00 0.89 0.00 0.00 455 L 8.47 4.74 0.00 1.79 1.53 0.94 0.59 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 0.00 456 T 8.66 5.11 4.29 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 1.23 0.00 0.00 457 C 8.71 4.42 0.00 3.14 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 0.00 458 G 8.65 3.62 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 0.00 0.00 0.00 459 S 8.04 4.24 0.00 4.09 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 8.12 4.37 0.00 3.18 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 7.99 4.08 0.00 1.72 1.98 0.00 1.20 0.00 0.00 1.34 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.63 7.81 462 V 7.90 3.79 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 0.78 0.00 0.00 1.12 0.00 0.00 463 F 8.52 4.17 0.00 3.19 3.34 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 0.00 464 F 8.51 4.14 0.00 3.47 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 0.00 465 K 8.09 3.46 0.00 2.01 2.02 0.00 1.44 0.00 0.00 1.45 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 466 R 8.16 3.80 0.00 2.00 1.89 0.00 3.38 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 1.63 0.00 467 A 7.81 3.57 0.55 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 0.00 0.00 0.00 0.00 0.00 0.00 468 V 7.09 3.30 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 0.61 0.00 0.00 0.24 0.00 0.00 469 E 7.70 4.01 0.00 2.07 1.81 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 2.24 2.27 0.00 470 G 7.91 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 0.00 0.00 0.00 471 Q 7.26 3.79 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 472 H 7.00 3.79 0.00 2.60 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.29 4.66 0.00 2.64 2.75 0.00 0.00 6.85 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 8.33 4.96 0.00 3.00 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 0.00 475 L 8.34 4.78 0.00 1.59 1.56 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.74 4.28 0.00 3.01 2.84 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 0.00 477 A 8.59 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 8.41 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 8.72 4.60 0.00 1.92 1.87 0.00 3.36 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 1.52 1.63 0.00 480 N 8.62 4.33 0.00 2.89 2.92 0.00 0.00 6.88 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 7.72 4.75 0.00 2.73 2.66 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 0.00 482 C 7.83 4.34 0.00 2.96 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 0.00 483 I 8.16 3.75 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 4.23 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 1.59 1.43 0.83 0.00 0.00 485 D 7.94 5.07 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 8.80 3.72 0.00 1.70 1.89 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.50 7.81 487 I 7.82 4.05 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 0.83 0.92 0.00 0.00 488 R 9.15 4.27 0.00 1.91 1.90 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 489 R 8.05 3.74 0.00 1.74 1.87 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 490 K 7.82 3.63 0.00 1.69 1.79 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.50 7.81 491 N 7.79 4.67 0.00 2.87 2.83 0.00 0.00 6.67 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 7.42 4.63 0.00 2.71 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 3.98 0.00 0.51 2.03 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 494 A 7.74 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.14 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 8.26 3.81 0.00 1.67 1.57 0.00 2.57 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 1.29 1.38 0.00 497 Y 8.52 4.66 0.00 3.50 3.40 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 0.00 498 R 8.47 3.79 0.00 2.01 2.16 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 499 K 8.08 4.22 0.00 2.03 2.03 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.74 1.47 7.81 500 C 7.92 4.03 0.00 3.41 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 7.64 3.93 0.00 1.78 1.65 0.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 7.88 4.23 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 503 A 7.31 4.41 1.26 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 0.00 0.00 504 G 7.60 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 0.00 505 M 7.52 4.19 0.00 0.54 1.25 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 2.47 2.26 0.00 506 N 8.31 4.72 0.00 2.68 2.70 0.00 0.00 7.20 7.29 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 0.00 507 L 9.01 4.25 0.00 1.68 1.72 0.73 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 508 E 8.32 4.35 0.00 2.13 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 2.67 2.29 0.00 509 A 8.22 4.66 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.18 0.00 1.85 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00