NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3001 8.4145 122.1179 54.2619 33.1473 176.3201 3 N 4.4779 8.5091 114.4378 54.5616 37.4423 176.0207 4 F 4.2431 8.8459 120.1396 61.3260 41.1025 176.5694 5 L 3.7504 8.0911 119.3851 57.9266 41.9800 179.2485 6 E 3.9093 7.6382 118.2911 59.3847 29.4649 177.5008 7 T 4.2851 8.6011 107.7398 61.4017 68.5049 174.0054 8 I 4.3650 7.5840 124.1851 59.6566 38.8241 176.8283 9 E 4.2154 8.7120 124.4232 59.3633 30.6391 178.0877 10 D 4.9708 6.7670 121.3637 53.7598 39.8332 178.4585 *12 I 4.2731 8.2884 129.1144 62.3022 38.4820 173.4714 13 L 5.3694 8.8845 125.3625 53.0552 46.6225 175.4251 14 I 5.1873 8.8752 122.1526 59.5799 40.3211 174.6516 15 I 5.0862 8.7954 120.8486 58.9906 41.0212 175.7319 16 N 4.9307 8.5805 122.6933 51.7580 38.9464 175.6181 17 R 2.6522 8.4326 117.3808 59.0965 29.9348 177.0008 18 E 4.1376 8.8054 115.3046 56.4492 29.9690 177.2012 19 G 3.7489 8.3887 108.0809 45.5722 0.0000 173.4584 20 R 4.3958 7.7097 118.0364 54.7715 31.2522 176.2269 21 L 4.3760 7.9870 121.5293 53.5951 40.5292 176.7891 22 L 3.7272 8.2713 124.3433 57.0629 41.8909 177.4066 23 Y 4.9472 7.2651 117.2082 56.2044 42.5386 173.5550 24 A 5.2841 7.1851 123.8122 51.4594 22.4045 175.0417 25 N 4.8992 8.2327 116.6672 50.8769 40.4822 175.4285 26 T 3.9038 9.3422 113.9719 65.6746 67.0822 175.5130 27 A 3.9693 7.5440 122.5557 55.2410 18.3273 179.6542 28 V 3.5126 8.3258 116.9532 65.5334 31.6868 176.1590 29 P 4.9317 0.0000 0.0000 65.0962 31.0502 177.9735 30 K 3.7519 7.8792 116.5997 60.0931 32.0983 178.4558 31 K 4.1483 8.1995 117.4436 58.9445 32.3454 178.7735 32 L 4.3291 8.6384 118.1635 54.5279 41.6953 178.5325 33 G 3.8209 7.8640 106.7641 45.6959 0.0000 172.9955 34 Y 4.7958 7.3909 116.9389 56.6089 40.1346 174.8640 35 T 4.7941 9.7789 119.0517 62.3188 70.3539 176.0531 36 H 4.1519 8.7645 123.0092 59.4974 30.0556 176.5526 37 E 4.0796 8.2014 117.5825 59.6223 29.6207 177.7813 38 E 4.0814 8.3531 116.9312 59.8453 29.5205 179.9290 39 L 3.6707 8.5399 118.8615 55.6192 42.2146 178.2814 *41 S 4.1565 8.0625 111.5704 58.5456 64.4101 173.1886 *43 H 4.4803 7.8773 119.2318 55.6412 30.7954 173.4737 44 I 3.5895 8.6128 126.6341 64.6276 37.7000 178.1407 45 L 4.4667 8.0750 119.8616 57.2145 41.1970 179.3216 46 T 4.1049 8.0342 115.4937 65.8889 68.5976 175.9340 47 I 4.1794 7.8110 121.6500 62.8866 37.8751 177.6662 48 T 4.4131 7.7359 109.5284 62.7275 69.7272 175.7502 49 S 5.0753 8.2386 117.9483 58.5628 64.1910 176.5151 50 A 3.8977 8.1926 125.0639 55.0769 18.3466 179.6347 51 G 4.0313 7.9538 100.7684 45.3196 0.0000 173.5181 52 K 4.4437 8.3347 119.7362 54.5662 36.0690 176.7429 *54 A 4.2672 8.6130 125.3597 52.4078 20.5361 178.9252 55 E 4.1338 8.0564 114.8490 59.2252 29.3945 179.6176 56 G 3.9400 8.1762 107.4227 46.9076 0.0000 175.4100 57 E 4.1118 8.0211 120.6772 58.3751 29.6395 178.8584 58 K 4.0539 7.7117 119.0252 59.2487 32.2797 178.9749 59 I 3.6682 7.4951 119.5862 64.5660 36.7328 178.0205 60 L 4.0168 7.7958 120.3915 58.1937 41.6337 178.9495 61 A 4.1139 7.6723 119.4203 55.2836 18.3862 179.4263 62 E 3.9479 8.3295 117.1652 59.6210 29.3329 179.3275 63 L 3.9011 8.0732 118.1532 58.2631 41.7602 179.5122 64 F 4.1937 7.9192 115.7236 60.2695 38.9521 177.4656 65 A 4.2232 7.6881 120.0358 53.7282 18.2418 178.3004 66 G 3.9978 8.2622 103.4594 44.9590 0.0000 174.5701 67 K 3.9402 8.0253 120.7554 58.9503 32.0826 176.1474 68 K 4.6917 7.6622 114.6908 54.6358 35.5313 175.6090 69 E 4.5222 8.1697 117.9818 56.4874 31.8097 175.8178 70 S 5.0161 7.6867 111.6867 57.3900 65.5360 174.2579 71 L 4.7305 8.4431 121.3485 53.8194 43.8103 173.2673 72 P 4.9187 0.0000 0.0000 63.1742 32.7187 174.7777 73 L 4.7596 9.2870 120.2597 53.7362 47.1076 175.4174 74 S 5.0240 8.4610 115.0149 57.0102 65.6971 173.7441 75 L 4.5954 8.8240 126.4884 53.5428 42.7896 175.7256 76 E 4.7592 8.8867 126.0698 55.1908 30.6805 175.7085 77 K 4.2821 9.5570 128.0076 55.4840 33.1508 178.1496 78 K 3.1686 7.5993 124.7359 59.4461 32.1517 177.4417 79 E 3.8506 7.8985 118.3899 58.0681 29.4660 177.4101 80 G 4.0602 9.3965 105.3796 44.8606 0.0000 173.4541 81 T 4.4287 7.6692 114.3140 61.4053 69.1768 173.4866 82 S 5.4902 8.5408 121.6533 56.7447 66.0047 173.4261 83 I 4.7491 8.4759 115.4799 58.2513 40.7529 172.9446 84 P 4.8829 0.0000 0.0000 62.9899 32.5865 174.9854 85 A 5.1487 9.3625 124.1525 50.3555 23.7671 174.4241 86 K 4.7651 9.0032 119.3364 54.5951 35.5870 174.7083 87 A 5.1286 8.9547 129.0256 50.1673 21.9487 174.8639 88 R 4.8559 8.8564 121.7724 54.1643 32.5593 175.4188 89 I 4.9563 7.9184 116.9521 58.7855 40.5745 174.9176 90 W 4.9348 9.3314 123.4186 55.0439 33.2937 174.4569 91 Q 4.5845 9.0446 123.3377 55.6822 28.9939 174.9242 92 G 4.5209 8.7049 114.3654 45.0537 0.0000 170.7128 93 K 5.2051 8.4841 118.3837 54.3580 35.4657 175.0203 94 W 4.4034 8.5365 135.0000 58.2756 30.8577 175.6941 95 H 4.7530 8.1377 115.9384 56.6109 30.7462 175.5204 96 N 4.9212 8.1613 115.7299 53.1366 41.1224 174.8766 97 E 4.7919 7.8989 116.7719 53.3239 32.0734 173.2352 98 P 4.7371 0.0000 0.0000 63.8796 32.2145 175.1640 99 C 5.2844 9.1827 117.5312 57.6260 33.9824 172.1701 100 L 5.0246 9.3833 119.3236 52.8753 44.2057 175.6874 101 F 5.3439 9.7780 126.1719 56.6796 41.3201 174.0795 102 A 5.1423 8.9233 128.2647 50.0391 22.2268 174.4674 103 I 4.5757 8.6729 122.8246 59.5069 40.0494 174.6041 104 I 4.8119 8.3864 127.9052 59.3229 39.4845 174.8803 105 K 4.3847 9.1595 129.2747 54.7576 33.7156 174.8571 106 D 4.7070 8.7373 128.0311 53.8699 41.7393 175.6965 107 L 4.6059 8.5457 129.4011 54.9917 41.8831 177.3847 108 S 4.2799 8.1536 120.4924 58.9457 62.7548 174.5759 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 2 K 8.41 4.30 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 3 N 8.51 4.48 0.00 2.73 2.85 0.00 0.00 6.19 7.23 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 4 F 8.85 4.24 0.00 3.06 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 5 L 8.09 3.75 0.00 1.93 1.94 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.64 3.91 0.00 1.83 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 0.00 2.37 2.34 0.00 7 T 8.60 4.29 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 1.24 0.00 0.00 8 I 7.58 4.36 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.92 0.00 0.00 9 E 8.71 4.22 0.00 1.95 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 2.30 2.27 0.00 10 D 6.77 4.97 0.00 2.69 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 0.00 0.00 0.00 0.00 *12 I 8.29 4.27 2.06 0.00 0.00 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 1.32 0.97 1.31 0.00 0.00 13 L 8.88 5.37 0.00 1.52 1.47 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.88 5.19 1.90 0.00 0.00 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 1.51 0.96 0.72 0.00 0.00 15 I 8.80 5.09 1.92 0.00 0.00 0.94 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 0.82 0.87 0.00 0.00 16 N 8.58 4.93 0.00 3.03 3.03 0.00 0.00 6.44 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.43 2.65 0.00 1.44 1.77 0.00 2.69 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.00 18 E 8.81 4.14 0.00 2.06 1.96 0.00 0.00 0.00 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 2.21 0.00 19 G 8.39 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 20 R 7.71 4.40 0.00 1.79 1.77 0.00 3.23 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 21 L 7.99 4.38 0.00 1.61 1.51 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.27 3.73 0.00 1.21 0.19 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.27 4.95 0.00 3.04 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 24 A 7.19 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.23 4.90 0.00 2.85 3.01 0.00 0.00 5.62 7.22 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 26 T 9.34 3.90 4.49 0.00 0.00 0.00 0.00 0.00 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 27 A 7.54 3.97 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 28 V 8.33 3.51 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 0.94 0.00 0.00 0.99 0.00 0.00 29 P 0.00 4.93 0.00 2.20 2.21 0.00 4.12 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 2.14 2.04 0.00 30 K 7.88 3.75 0.00 1.83 2.08 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 31 K 8.20 4.15 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.63 7.81 32 L 8.64 4.33 0.00 2.00 1.93 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.86 3.82 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 0.00 0.00 0.00 34 Y 7.39 4.80 0.00 2.99 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 35 T 9.78 4.79 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 1.27 0.00 0.00 36 H 8.76 4.15 0.00 3.07 3.35 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.20 4.08 0.00 2.00 2.00 0.00 0.00 0.00 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 2.43 0.00 38 E 8.35 4.08 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 2.36 2.40 0.00 39 L 8.54 3.67 0.00 1.55 1.57 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *41 S 8.06 4.16 0.00 3.96 3.89 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 *43 H 7.88 4.48 0.00 3.15 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.61 3.59 1.80 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 1.49 1.04 0.91 0.00 0.00 45 L 8.07 4.47 0.00 1.85 1.71 0.98 0.98 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 46 T 8.03 4.10 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 1.16 0.00 0.00 47 I 7.81 4.18 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.96 0.00 0.00 48 T 7.74 4.41 4.24 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 1.26 0.00 0.00 49 S 8.24 5.08 0.00 3.81 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.90 1.32 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 0.00 0.00 0.00 51 G 7.95 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 0.00 0.00 0.00 52 K 8.33 4.44 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.35 7.81 *54 A 8.61 4.27 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 55 E 8.06 4.13 0.00 2.07 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 2.40 2.43 0.00 56 G 8.18 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.02 4.11 0.00 2.05 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 0.00 2.38 2.41 0.00 58 K 7.71 4.05 0.00 1.99 1.83 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 59 I 7.50 3.67 1.88 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 1.67 0.90 0.90 0.00 0.00 60 L 7.80 4.02 0.00 1.88 1.77 1.03 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.67 4.11 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 62 E 8.33 3.95 0.00 2.18 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 0.00 2.34 2.56 0.00 63 L 8.07 3.90 0.00 1.64 1.55 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.92 4.19 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.22 1.38 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 0.00 0.00 66 G 8.26 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 0.00 0.00 0.00 67 K 8.03 3.94 0.00 1.75 1.95 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.55 7.81 68 K 7.66 4.69 0.00 1.66 1.58 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.37 7.81 69 E 8.17 4.52 0.00 1.72 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 70 S 7.69 5.02 0.00 3.80 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 71 L 8.44 4.73 0.00 1.67 1.69 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.92 0.00 2.08 2.07 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 73 L 9.29 4.76 0.00 1.51 1.53 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.46 5.02 0.00 3.69 3.76 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 75 L 8.82 4.60 0.00 1.60 1.62 0.92 0.91 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 76 E 8.89 4.76 0.00 2.11 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 2.30 2.37 0.00 77 K 9.56 4.28 0.00 1.59 1.70 0.00 1.94 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.57 7.81 78 K 7.60 3.17 0.00 0.79 1.43 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.27 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.30 7.81 79 E 7.90 3.85 0.00 1.87 1.90 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 2.26 2.28 0.00 80 G 9.40 4.06 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 0.00 0.00 0.00 81 T 7.67 4.43 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 1.25 0.00 0.00 82 S 8.54 5.49 0.00 3.77 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 83 I 8.48 4.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.90 0.00 0.00 84 P 0.00 4.88 0.00 2.13 2.21 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 85 A 9.36 5.15 1.18 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 0.00 0.00 86 K 9.00 4.77 0.00 1.78 1.60 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.32 7.81 87 A 8.95 5.13 1.15 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 0.00 0.00 88 R 8.86 4.86 0.00 1.73 1.21 0.00 3.19 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 89 I 7.92 4.96 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.41 0.74 0.00 0.00 90 W 9.33 4.93 0.00 3.64 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 91 Q 9.04 4.58 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 92 G 8.70 4.52 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 0.00 0.00 0.00 93 K 8.48 5.21 0.00 1.77 1.76 0.00 1.88 0.00 0.00 2.34 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.48 7.81 94 W 8.54 4.40 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.75 0.00 3.20 3.19 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.16 4.92 0.00 2.74 2.88 0.00 0.00 6.75 7.66 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 97 E 7.90 4.79 0.00 2.05 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 2.36 2.29 0.00 98 P 0.00 4.74 0.00 2.03 2.17 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 99 C 9.18 5.28 0.00 3.20 3.16 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 0.00 100 L 9.38 5.02 0.00 1.43 1.43 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.78 5.34 0.00 3.15 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 0.00 102 A 8.92 5.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.67 4.58 2.02 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 0.88 0.54 0.94 0.00 0.00 104 I 8.39 4.81 1.85 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 1.18 0.54 0.94 0.00 0.00 105 K 9.16 4.38 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 106 D 8.74 4.71 0.00 2.73 2.58 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 0.00 107 L 8.55 4.61 0.00 1.61 1.66 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.15 4.28 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.