NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8896 8.2033 118.3473 59.7403 30.3884 172.0700 2 L 4.8198 8.8595 122.3176 52.6752 43.8642 174.7967 3 A 4.9027 9.2286 125.1052 51.2912 20.4871 176.1911 4 E 4.2466 8.8525 121.2628 58.4057 29.6057 177.4856 5 G 4.0830 9.9183 115.2932 45.3726 0.0000 174.0453 6 T 4.0740 7.9569 117.6816 64.0630 69.5422 173.5984 7 R 4.9311 9.3214 125.9525 55.4065 32.2344 175.5060 8 I 4.7599 9.2447 124.9723 59.4395 40.4276 174.3462 9 F 4.9858 8.9346 130.2487 57.5733 41.0171 173.6238 10 D 5.3072 8.7513 127.0165 51.4919 41.6748 175.0838 11 P 4.1011 0.0000 0.0000 64.0246 31.8751 177.1313 12 V 3.9557 8.2363 119.4526 64.8648 32.1810 176.8415 13 T 4.0363 7.9646 107.7686 61.9261 69.3179 175.7964 14 G 3.9217 8.1916 109.4248 45.2941 0.0000 173.1201 15 T 4.3417 7.5318 117.1663 63.1472 70.0462 173.7904 16 T 5.0180 8.4873 122.3123 62.5340 70.0860 173.8117 17 H 5.0240 9.4803 123.6269 54.1584 32.5907 173.4089 18 R 4.8489 8.2678 118.9906 54.8375 31.5738 177.1737 19 I 3.6243 8.8902 124.9229 64.5141 37.8068 177.7826 20 E 2.6737 7.7552 117.5088 59.0873 29.2132 178.7467 21 D 4.2691 8.1065 119.8215 56.8184 40.8515 178.8568 22 V 3.5637 7.5364 118.4903 65.8600 31.7682 178.1954 23 V 3.7905 7.9732 118.0204 66.3330 31.2913 177.7497 24 D 4.4933 8.1820 117.5788 56.8480 40.7619 178.2038 25 G 3.6884 7.8520 103.2447 43.5411 0.0000 173.4005 26 R 2.5100 7.1471 118.5809 56.3820 28.0198 177.1430 27 K 4.0179 7.7940 116.6930 55.7806 33.2868 177.4953 28 P 4.8750 0.0000 0.0000 61.8290 30.1524 174.7302 29 I 4.3377 7.3558 116.0635 61.1945 40.8590 175.7088 30 H 5.2986 9.2509 118.6587 54.3386 32.1720 174.0512 31 V 5.0149 8.6510 112.9830 58.8026 36.8977 174.1664 32 V 4.7592 8.3370 120.4849 61.9555 33.1407 174.4570 33 A 5.1767 9.4755 128.7576 50.0774 22.5387 174.4058 34 A 5.0125 8.8136 122.8611 50.8850 20.6626 177.4246 35 A 4.4431 8.9016 124.8260 50.3676 21.1504 178.0374 36 K 3.8124 8.9074 119.0748 60.0515 31.9892 177.3316 37 D 4.5518 8.0866 114.1591 53.5351 39.3402 176.9632 38 G 3.9150 8.1324 108.2624 45.7331 0.0000 174.0670 39 T 4.3153 8.1275 110.3711 61.2597 70.5444 173.6301 40 L 5.2441 8.1990 122.1715 53.8072 44.0074 175.4931 41 H 5.0225 9.3798 118.1981 54.1785 33.9246 172.1330 42 A 4.9092 8.5694 122.2897 51.5929 19.5561 177.1906 43 R 4.8444 8.9104 120.8156 53.7690 35.1549 172.9030 44 P 4.7689 0.0000 0.0000 62.1313 33.3048 175.2521 45 V 4.0045 8.2661 122.7392 63.0725 31.6550 176.0847 46 V 4.1616 8.6667 119.3943 61.0978 33.5505 175.7677 47 S 4.3601 6.7170 115.5177 56.5257 67.5494 172.8902 48 W 5.1678 8.4473 121.5355 54.9569 32.6017 174.7460 49 F 4.8378 9.5682 122.3469 55.8141 42.5312 173.5664 50 D 4.8728 9.0128 123.5362 52.9433 41.1963 175.3065 51 Q 4.2008 8.5812 123.9621 55.5123 29.5432 177.6601 52 G 3.7679 7.8490 110.6372 44.6207 0.0000 172.4043 53 T 4.7179 8.1342 115.1873 63.4158 69.2675 174.8410 54 R 4.7155 9.0025 124.2238 54.7724 35.3652 173.7650 55 D 5.1037 8.6102 119.8915 54.6488 42.1988 176.3491 56 V 4.8954 9.2412 115.7486 59.6990 36.5357 174.4867 57 I 5.0541 9.0578 116.8263 59.2215 41.2192 174.3063 58 G 3.3490 8.1913 108.8400 43.8769 0.0000 172.1814 59 L 5.0420 8.1870 122.0958 52.5703 44.9476 175.4748 60 R 4.7352 8.9176 125.9346 55.2381 31.4833 175.3816 61 I 4.8236 8.6991 127.3943 59.2952 39.8971 175.0689 62 A 4.0732 8.2372 126.8506 53.5165 17.9931 177.5774 63 G 3.8961 9.7431 110.6300 44.8982 0.0000 174.6013 64 G 4.0177 8.1789 107.0226 45.2793 0.0000 174.2490 65 A 4.2247 7.9976 121.6381 52.0501 19.8008 176.5218 66 I 4.9358 8.2801 121.3086 59.4436 40.3265 175.1107 67 V 4.4148 8.3977 127.3380 59.7096 33.8009 174.7140 68 W 5.2210 8.8368 124.0107 54.9706 31.4508 174.7524 69 A 5.2725 8.9721 125.4188 50.3844 22.9507 175.3574 70 T 4.6165 9.0948 110.0525 60.4977 69.6758 174.0739 71 P 4.3584 0.0000 0.0000 65.4792 31.3412 177.5372 72 D 4.6502 7.9641 116.8161 54.6335 40.3397 176.0638 73 H 4.0964 8.2026 121.9328 56.5296 30.9190 174.3292 74 K 4.8420 8.5293 125.1788 56.1629 33.5780 175.8945 75 V 4.9751 9.2753 124.6322 60.9634 35.0143 174.0134 76 L 4.1209 8.8340 129.6646 54.6111 43.1982 175.6844 77 T 5.0432 8.4301 116.5443 59.2816 72.0503 174.6357 78 E 3.3081 8.2324 119.0433 58.7741 29.2387 177.4180 79 Y 4.6921 7.3841 115.7666 57.5265 38.5732 176.8017 80 G 3.6701 7.9088 109.3401 43.8557 0.0000 172.6563 81 W 5.0020 8.2696 118.9047 57.0176 29.8793 176.3698 82 R 4.9024 9.2693 122.1212 54.2781 34.6935 174.4779 83 A 4.5300 8.7553 124.2420 51.8315 19.4366 178.3468 84 A 3.9679 9.4391 125.7371 55.3892 18.6336 180.4177 85 G 3.7422 8.5229 103.8486 48.0550 0.0000 174.4105 86 E 4.2562 8.0271 118.2723 57.5405 30.0170 177.0759 87 L 4.4618 7.4695 118.4609 54.5784 42.5348 176.2842 88 R 4.7089 9.2817 119.7510 53.6224 34.2077 174.8107 89 K 4.1122 8.5209 120.2294 58.6175 32.3777 175.9110 90 G 4.1164 8.9977 114.0095 45.6005 0.0000 173.9377 91 D 4.6073 8.1382 119.0295 54.4067 42.2706 175.6590 92 R 5.0485 8.4229 120.0084 54.7722 32.5206 175.6639 93 V 4.6309 8.5417 116.6358 59.1795 35.0985 175.1126 94 A 4.0806 9.0271 125.7188 52.1896 19.4416 177.1789 95 V 4.8183 8.8400 114.1051 59.7700 37.0373 174.1595 96 R 4.7282 8.5527 123.3094 54.6389 31.0847 175.4570 97 D 4.3235 9.0146 127.9225 54.2227 41.5241 177.3603 98 V 3.4070 8.5754 126.1404 65.6976 32.0175 176.8541 99 E 4.2048 8.2419 118.3943 58.9313 29.8694 177.7197 100 T 3.9701 8.4366 107.8473 62.3703 69.2383 176.0095 101 G 3.8807 8.4533 109.0015 45.1860 0.0000 172.7765 102 E 4.3621 7.7247 119.2657 54.8757 31.9243 174.9297 *404 L 4.5445 8.2187 122.7360 55.3628 43.2985 175.8620 405 R 4.4514 8.5401 121.1378 55.5885 33.2738 172.6839 406 Y 5.1163 8.4305 115.3639 56.5042 40.8787 175.8023 407 S 4.8026 8.9527 118.3931 56.5184 67.3147 173.7204 408 V 4.1601 8.2827 123.2052 62.8602 33.0496 174.9136 409 I 4.4285 8.6309 128.8376 61.0439 37.2857 177.0357 410 R 4.0647 8.9902 127.9884 58.8254 30.8119 176.7501 411 E 4.6678 7.8119 116.7319 55.1331 33.1307 174.1019 412 V 4.6556 8.3366 125.3274 61.2379 33.2368 174.8829 413 L 4.5907 8.6372 128.4491 52.8844 43.4054 174.7817 414 P 4.6371 0.0000 0.0000 62.8840 32.0849 176.2317 415 T 4.6183 8.5075 117.3178 62.7628 68.2541 173.2158 416 R 4.7294 8.8491 122.3744 55.1680 33.4470 173.8848 417 R 4.8440 8.4073 118.6064 55.9801 31.2266 175.8710 418 A 4.5156 8.5396 122.2355 50.8361 23.4110 175.8396 419 R 4.4766 8.5349 119.4214 56.4802 31.4538 176.0132 420 T 5.2104 8.7230 113.3471 60.2803 72.5508 172.2832 421 Y 5.3201 9.4850 119.7829 56.9382 43.2066 173.7272 422 D 5.2560 9.3003 118.9508 53.0338 45.7853 174.7776 423 L 5.2137 8.5537 120.2429 53.1170 45.6554 175.5274 424 E 4.5523 8.8339 122.5714 54.7666 31.7478 174.9484 425 V 4.4710 7.9828 124.1846 60.5696 33.8459 174.2968 426 E 3.6208 8.5322 129.3499 58.2453 29.4363 175.4426 427 E 4.1086 9.1011 132.4965 57.3557 29.0122 175.3813 428 L 4.1440 7.5771 116.9590 55.7140 42.1219 177.5237 429 H 4.4578 7.8011 114.0543 56.4928 26.7942 173.9903 430 T 5.0954 7.2532 107.4066 60.4036 72.2086 172.6133 431 L 4.7720 8.7012 120.0676 54.9781 44.1787 173.9236 432 V 4.6974 8.5115 121.3652 61.8261 32.5425 175.1637 433 A 4.7730 8.9361 131.0566 51.4383 21.1287 175.5350 434 E 3.9282 10.0588 122.7577 57.4161 27.7975 176.3080 435 G 3.9262 8.3417 107.0225 45.2623 0.0000 173.6929 436 V 4.5463 7.5613 120.6150 61.3707 33.7609 175.1658 437 V 4.4251 8.6253 128.1134 62.9018 32.2552 175.2135 438 V 5.1003 8.9368 121.4651 59.3230 35.8288 175.6637 439 H 4.1975 9.2684 121.4174 56.5658 29.2612 174.9723 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 1 C 8.20 4.89 0.00 2.94 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 2 L 8.86 4.82 0.00 1.70 1.65 0.97 0.49 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 3 A 9.23 4.90 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 4 E 8.85 4.25 0.00 2.26 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 2.36 2.35 0.00 5 G 9.92 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 6 T 7.96 4.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 7 R 9.32 4.93 0.00 1.94 1.90 0.00 3.10 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 8 I 9.24 4.76 1.95 0.00 0.00 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 1.17 0.99 0.97 0.00 0.00 9 F 8.93 4.99 0.00 3.11 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 10 D 8.75 5.31 0.00 2.71 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.10 0.00 2.22 2.22 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 12 V 8.24 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 0.72 0.00 0.00 0.74 0.00 0.00 13 T 7.96 4.04 4.21 0.00 0.00 0.00 0.00 0.00 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 14 G 8.19 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 15 T 7.53 4.34 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 1.00 0.00 0.00 16 T 8.49 5.02 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 1.30 0.00 0.00 17 H 9.48 5.02 0.00 3.03 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.27 4.85 0.00 1.91 2.12 0.00 3.16 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 19 I 8.89 3.62 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.93 0.00 0.00 20 E 7.76 2.67 0.00 1.73 1.46 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 2.22 2.26 0.00 21 D 8.11 4.27 0.00 2.84 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 22 V 7.54 3.56 2.28 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 1.31 0.00 0.00 0.96 0.00 0.00 23 V 7.97 3.79 2.13 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 1.28 0.00 0.00 1.32 0.00 0.00 24 D 8.18 4.49 0.00 2.68 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 25 G 7.85 3.69 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 0.00 0.00 0.00 0.00 26 R 7.15 2.51 0.00 1.33 0.66 0.00 2.95 0.00 0.00 2.74 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.00 27 K 7.79 4.02 0.00 1.74 1.72 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.28 7.81 28 P 0.00 4.88 0.00 2.26 2.21 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 29 I 7.36 4.34 2.03 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 1.40 0.58 0.77 0.00 0.00 30 H 9.25 5.30 0.00 3.28 3.20 0.00 5.75 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 31 V 8.65 5.01 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 0.90 0.00 0.00 0.98 0.00 0.00 32 V 8.34 4.76 2.18 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 1.02 0.00 0.00 1.10 0.00 0.00 33 A 9.48 5.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.81 5.01 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 35 A 8.90 4.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.91 3.81 0.00 1.78 1.90 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 37 D 8.09 4.55 0.00 2.83 2.77 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 38 G 8.13 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 39 T 8.13 4.32 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 40 L 8.20 5.24 0.00 1.49 1.60 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.38 5.02 0.00 2.98 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.57 4.91 1.23 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 43 R 8.91 4.84 0.00 1.69 1.73 0.00 3.41 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 44 P 0.00 4.77 0.00 1.98 1.87 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 45 V 8.27 4.00 1.99 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 -0.05 0.00 0.00 0.85 0.00 0.00 46 V 8.67 4.16 1.95 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 0.69 0.00 0.00 0.81 0.00 0.00 47 S 6.72 4.36 0.00 3.74 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.45 5.17 0.00 3.11 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 49 F 9.57 4.84 0.00 3.14 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 50 D 9.01 4.87 0.00 2.81 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 51 Q 8.58 4.20 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.49 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 52 G 7.85 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 53 T 8.13 4.72 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 1.19 0.00 0.00 54 R 9.00 4.72 0.00 1.68 1.78 0.00 3.10 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 55 D 8.61 5.10 0.00 2.63 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 56 V 9.24 4.90 2.40 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 0.92 0.00 0.00 1.10 0.00 0.00 57 I 9.06 5.05 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.99 0.00 0.00 58 G 8.19 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 0.00 0.00 0.00 59 L 8.19 5.04 0.00 1.44 1.47 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.92 4.74 0.00 1.74 1.72 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 61 I 8.70 4.82 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.88 0.00 0.00 62 A 8.24 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.74 3.90 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 0.00 0.00 0.00 64 G 8.18 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 65 A 8.00 4.22 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 66 I 8.28 4.94 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.43 0.00 0.00 67 V 8.40 4.41 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 0.71 0.00 0.00 0.96 0.00 0.00 68 W 8.84 5.22 0.00 3.33 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 69 A 8.97 5.27 1.22 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 0.00 0.00 70 T 9.09 4.62 4.37 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 1.28 0.00 0.00 71 P 0.00 4.36 0.00 2.27 2.41 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 72 D 7.96 4.65 0.00 2.79 2.83 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 73 H 8.20 4.10 0.00 3.44 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.53 4.84 0.00 1.50 1.79 0.00 1.24 0.00 0.00 1.61 0.00 0.00 2.29 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.50 1.29 7.81 75 V 9.28 4.98 2.19 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 1.01 0.00 0.00 1.04 0.00 0.00 76 L 8.83 4.12 0.00 0.83 1.36 -0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.43 5.04 4.36 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 1.28 0.00 0.00 78 E 8.23 3.31 0.00 1.18 1.16 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 1.89 1.47 0.00 79 Y 7.38 4.69 0.00 2.95 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 80 G 7.91 3.67 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 0.00 0.00 0.00 81 W 8.27 5.00 0.00 3.23 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 82 R 9.27 4.90 0.00 1.81 1.83 0.00 3.28 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 83 A 8.76 4.53 1.30 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 0.00 0.00 0.00 84 A 9.44 3.97 1.39 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 85 G 8.52 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 86 E 8.03 4.26 0.00 2.14 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 0.00 2.34 2.44 0.00 87 L 7.47 4.46 0.00 1.79 1.61 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.28 4.71 0.00 1.73 1.76 0.00 3.31 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 89 K 8.52 4.11 0.00 1.70 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.71 7.81 90 G 9.00 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 91 D 8.14 4.61 0.00 2.72 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 92 R 8.42 5.05 0.00 1.72 1.82 0.00 2.96 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 93 V 8.54 4.63 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 0.72 0.00 0.00 0.98 0.00 0.00 94 A 9.03 4.08 1.02 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 95 V 8.84 4.82 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 0.66 0.00 0.00 0.83 0.00 0.00 96 R 8.55 4.73 0.00 1.76 1.80 0.00 3.32 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 97 D 9.01 4.32 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.58 3.41 1.99 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 0.69 0.00 0.00 0.82 0.00 0.00 99 E 8.24 4.20 0.00 2.09 1.95 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 2.24 2.24 0.00 100 T 8.44 3.97 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 1.22 0.00 0.00 101 G 8.45 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 0.00 102 E 7.72 4.36 0.00 1.92 1.83 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 2.24 2.35 0.00 *404 L 8.22 4.54 0.00 1.58 1.50 0.44 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 405 R 8.54 4.45 0.00 1.79 1.91 0.00 2.72 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 406 Y 8.43 5.12 0.00 2.82 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 0.00 407 S 8.95 4.80 0.00 3.69 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 V 8.28 4.16 2.07 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 0.96 0.00 0.00 0.92 0.00 0.00 409 I 8.63 4.43 1.86 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 1.20 0.69 0.90 0.00 0.00 410 R 8.99 4.06 0.00 1.65 1.96 0.00 3.35 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 411 E 7.81 4.67 0.00 1.97 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 0.00 2.21 2.24 0.00 412 V 8.34 4.66 2.06 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 0.84 0.00 0.00 0.92 0.00 0.00 413 L 8.64 4.59 0.00 1.10 1.58 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 414 P 0.00 4.64 0.00 2.04 2.05 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 415 T 8.51 4.62 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 1.26 0.00 0.00 416 R 8.85 4.73 0.00 1.81 1.94 0.00 2.34 0.00 0.00 2.60 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 417 R 8.41 4.84 0.00 1.69 1.87 0.00 3.51 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 418 A 8.54 4.52 1.12 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 0.00 419 R 8.53 4.48 0.00 1.90 1.85 0.00 3.19 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 420 T 8.72 5.21 4.26 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 1.27 0.00 0.00 421 Y 9.48 5.32 0.00 2.98 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 0.00 422 D 9.30 5.26 0.00 2.65 2.55 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 0.00 423 L 8.55 5.21 0.00 1.47 1.41 0.95 0.96 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 0.00 424 E 8.83 4.55 0.00 1.88 1.77 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 2.48 2.52 0.00 425 V 7.98 4.47 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 0.92 0.00 0.00 0.92 0.00 0.00 426 E 8.53 3.62 0.00 1.93 1.87 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 2.29 2.24 0.00 427 E 9.10 4.11 0.00 2.12 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 2.17 2.31 0.00 428 L 7.58 4.14 0.00 1.76 1.89 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 429 H 7.80 4.46 0.00 3.18 3.20 0.00 5.60 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 T 7.25 5.10 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 431 L 8.70 4.77 0.00 1.75 1.78 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 432 V 8.51 4.70 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 0.79 0.00 0.00 1.00 0.00 0.00 433 A 8.94 4.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 E 10.06 3.93 0.00 2.13 2.05 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 2.31 2.55 0.00 435 G 8.34 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 0.00 436 V 7.56 4.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 437 V 8.63 4.43 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 0.93 0.00 0.00 0.88 0.00 0.00 438 V 8.94 5.10 2.29 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 0.83 0.00 0.00 1.11 0.00 0.00 439 H 9.27 4.20 0.00 2.73 2.98 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.