NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7141 8.3544 109.7390 45.1234 0.0000 173.4151 *9 K 4.0005 8.0457 120.5572 55.3055 32.7870 174.9178 10 C 4.2640 8.7104 121.2500 58.5710 29.8977 172.0220 11 P 4.6462 0.0000 0.0000 63.6497 32.3768 175.2578 12 L 5.0694 7.6425 121.0757 53.7730 44.5304 174.9549 13 M 4.8590 9.0070 126.4866 53.3684 35.3457 175.1795 14 V 4.8414 7.8807 122.3311 60.9298 34.6004 173.9050 15 K 4.9284 8.7534 129.2079 54.5709 34.9656 174.7442 16 V 4.8399 8.3443 126.1408 61.0738 34.8899 174.1367 17 L 5.0090 8.9710 126.6216 52.9195 46.0858 175.0623 18 D 5.0531 8.9059 121.7252 52.8624 41.9409 176.7620 19 A 4.2536 9.2534 128.8250 53.9646 18.5152 178.2782 20 V 4.0834 8.5269 114.1404 64.8625 32.4427 177.2269 21 R 4.1254 9.4499 117.7710 56.7226 30.8903 176.1714 22 G 3.6275 9.3706 105.0097 44.3899 0.0000 171.3445 23 S 4.7059 7.1199 112.4676 56.7014 66.5473 174.9634 24 P 4.6020 0.0000 0.0000 62.8646 31.9566 176.2725 25 A 4.2745 8.6145 123.8274 50.8886 18.7209 176.8748 26 I 4.2015 8.4563 115.4857 61.5937 39.2066 175.4953 27 N 4.1573 8.4724 119.1686 54.1118 36.9504 174.3981 28 V 3.7568 7.9376 119.9282 62.7350 32.6102 175.0432 29 A 4.6207 8.6262 130.4923 51.7195 19.7294 175.8374 30 V 4.7150 8.5008 122.8096 61.2929 34.5510 173.9522 31 H 5.0191 9.4217 124.9099 53.9507 31.9470 172.6500 32 V 4.6646 8.2353 123.4108 61.2624 33.6344 174.5553 33 F 6.3000 9.5173 125.5760 54.8478 43.0876 174.1571 34 R 5.0903 8.8796 116.2586 54.3847 33.1986 173.7192 35 K 4.3755 8.0485 120.9239 54.8511 33.5930 175.8121 36 A 4.4841 7.8130 128.9314 49.8646 21.3475 177.6159 37 A 3.9049 8.6090 122.4713 55.5108 18.1188 179.0154 38 D 4.4124 7.7796 112.1139 54.3387 40.3547 176.0274 39 D 4.4679 7.9551 118.8528 55.1515 38.3264 173.2345 40 T 4.6476 7.3237 108.3036 59.6452 73.1035 172.4295 41 W 5.2011 8.5906 120.2475 55.0608 31.6727 175.7162 42 E 4.4618 9.6255 125.5198 55.1472 30.4336 174.1337 43 P 4.5573 0.0000 0.0000 63.8775 30.6385 175.9135 44 F 4.5503 9.1778 128.2519 60.5164 40.0484 174.9654 45 A 4.6624 7.7223 117.6815 50.6188 23.2286 174.0797 46 S 4.6697 7.6813 111.3633 57.1982 65.5310 174.1586 47 G 3.9904 7.8684 112.3817 45.9888 0.0000 171.6943 48 K 5.1254 8.3582 117.3187 54.5886 36.4492 176.7285 49 T 4.1499 8.9925 115.2436 62.2319 70.1078 174.6450 50 S 4.8934 8.5050 119.4398 57.3387 65.3474 174.0543 51 E 4.1731 9.0326 119.7699 58.7829 29.2080 177.7205 52 S 4.5350 7.7484 109.7297 57.6801 63.8045 174.9089 53 G 3.8801 8.7278 110.4196 45.0105 0.0000 172.7243 54 E 4.8982 7.7327 118.6340 54.7483 32.1826 174.8321 55 L 4.9432 8.6511 125.3300 53.7088 42.5514 174.8678 56 H 4.6639 8.6105 120.7031 54.7137 30.6358 174.5200 57 G 3.8466 8.6752 106.9324 46.8802 0.0000 175.4520 58 L 3.9775 8.0871 121.6575 57.4973 41.9391 176.9142 59 T 4.1566 7.0689 109.9990 61.7877 70.1818 171.5299 60 T 4.7339 7.7991 113.2672 59.2895 71.2951 174.8884 61 E 4.0789 9.1213 123.2603 60.0553 29.7929 178.7438 62 E 4.1787 8.3336 117.4126 59.2841 29.9651 177.6315 63 E 4.2123 7.6413 117.3682 59.3771 30.0836 178.1494 64 F 5.0737 8.0887 121.4514 58.5001 36.8790 173.9574 65 V 4.0297 7.5254 116.8888 60.1619 33.2387 175.8419 66 E 4.4218 7.9149 120.8188 54.9392 30.0778 176.2686 67 G 3.8398 7.8116 112.5092 44.6288 0.0000 170.9150 68 I 4.2708 7.0893 120.2553 61.0680 38.3682 175.2125 69 Y 5.2746 8.6044 123.5329 55.9365 42.0652 174.3081 70 K 4.8596 9.1277 124.2339 54.7018 35.0749 174.7328 71 V 4.4709 9.1214 128.8922 61.5592 33.3136 173.9012 72 E 4.9769 9.1691 129.9255 54.5782 31.8658 174.3241 73 I 4.5204 8.6689 128.5963 59.5064 39.5277 174.7901 74 D 4.7039 8.9692 128.8312 54.3183 39.5327 176.1992 75 T 4.0513 8.3338 116.9801 63.6375 69.4441 176.3323 76 K 3.9856 8.0904 122.0363 59.6560 32.1379 178.3165 77 S 4.1058 8.3242 115.0078 61.9131 62.3983 175.8585 78 Y 3.9662 8.0488 121.4328 60.8799 37.3926 178.4509 79 W 4.5356 8.0932 119.3023 59.5886 29.3036 178.8365 80 K 4.6344 8.7220 119.7690 58.8622 31.2793 179.0238 81 A 4.2289 7.7675 115.6902 52.9689 17.9605 177.6012 82 L 4.6276 8.0583 115.5374 54.9102 44.1732 176.0468 83 G 4.2103 7.8322 105.4968 45.9823 0.0000 175.1775 84 I 3.8672 7.6602 120.1553 60.9417 37.7325 175.2999 85 S 4.5259 8.4494 120.1391 56.2851 61.0752 171.8332 86 P 4.3202 0.0000 0.0000 61.7812 32.3442 176.8543 87 F 3.9038 8.0042 121.0427 60.8177 39.3610 175.5297 88 H 4.6748 7.8405 116.2392 54.3459 29.7720 174.9552 89 E 3.9446 8.8002 123.7697 59.0131 29.4145 176.6405 90 H 4.5617 7.4005 111.1435 55.3616 30.5713 173.5371 91 A 4.0113 8.1910 121.2773 50.4723 20.9668 176.2130 92 E 4.8406 8.4944 121.6315 54.4643 31.3577 173.4792 93 V 4.2016 8.6093 126.1940 61.6348 33.1342 174.4601 94 V 5.1995 8.6246 127.8911 61.1335 33.7549 174.4091 95 F 5.1728 9.0033 122.4070 55.5850 41.6993 173.7328 96 T 4.5810 8.7616 117.7108 63.4320 69.2592 173.7748 97 A 4.7136 8.7031 127.7151 50.5540 22.0681 175.8717 98 N 4.4523 9.2374 119.3240 54.9875 36.0024 174.5992 99 D 4.8355 8.2732 114.6142 53.2370 40.1563 177.7023 100 S 4.5914 7.7694 113.0079 58.1039 63.9100 175.1410 101 G 3.8223 7.9004 115.3457 45.1496 0.0000 169.1070 102 P 4.5917 0.0000 0.0000 62.3685 32.6058 175.0633 103 R 4.3806 7.7220 114.9238 55.7915 32.8701 173.6272 104 R 4.7753 8.8565 126.0736 54.9340 32.2485 174.5627 105 Y 4.8773 9.0738 122.7546 57.0388 40.4131 175.4549 106 T 5.5920 8.4497 119.3377 60.4312 71.5521 172.6402 107 I 4.3418 8.2325 127.5767 61.0423 38.4846 174.9022 108 A 5.8280 9.5951 128.8368 49.1681 22.2686 174.6928 109 A 5.2117 8.3996 121.7812 50.1113 22.9359 174.4028 110 L 4.9431 9.1195 124.9405 53.2302 44.6366 174.9643 111 L 5.3977 8.5649 125.4023 53.3133 44.7108 175.7229 112 S 4.9309 9.4664 118.1315 56.4512 67.4920 173.3821 113 P 3.4482 0.0000 0.0000 65.4012 31.1621 177.3946 114 Y 4.6007 7.4610 111.8813 56.8788 39.2660 174.8542 115 S 4.7130 8.0383 112.1838 57.6178 65.8910 173.6624 116 Y 5.6447 8.2694 124.1853 55.4515 41.0735 174.1686 117 S 4.8011 8.9393 115.5928 56.9236 66.1802 172.7598 118 T 5.2620 8.2959 115.3008 61.1628 70.8571 172.5585 119 T 4.6909 8.7965 119.1775 60.9495 71.4377 171.7805 120 A 4.9998 8.5806 129.2294 50.2436 21.4307 176.3798 121 V 4.2326 8.6430 123.5001 61.1748 32.7707 174.1645 122 V 4.5698 8.0895 126.8801 60.3715 33.1556 175.4249 123 T 4.6752 8.3567 119.1627 61.7841 73.3858 173.7782 124 N 4.4584 8.5609 120.3042 53.7936 39.1562 174.3910 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 G 8.35 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 K 8.05 4.00 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 10 C 8.71 4.26 0.00 3.08 3.03 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 11 P 0.00 4.65 0.00 2.56 2.38 0.00 3.53 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 2.31 2.21 0.00 12 L 7.64 5.07 0.00 1.12 1.10 0.96 0.59 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 13 M 9.01 4.86 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 14 V 7.88 4.84 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 1.01 0.00 0.00 0.90 0.00 0.00 15 K 8.75 4.93 0.00 1.84 1.59 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.32 7.81 16 V 8.34 4.84 1.92 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 0.71 0.00 0.00 0.83 0.00 0.00 17 L 8.97 5.01 0.00 1.57 1.50 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.91 5.05 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.25 4.25 1.47 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 0.00 0.00 20 V 8.53 4.08 2.65 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 0.96 0.00 0.00 0.97 0.00 0.00 21 R 9.45 4.13 0.00 2.09 2.05 0.00 3.40 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 22 G 9.37 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.12 4.71 0.00 3.88 3.97 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 24 P 0.00 4.60 0.00 2.08 2.21 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 25 A 8.61 4.27 0.60 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 26 I 8.46 4.20 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.98 0.00 0.00 27 N 8.47 4.16 0.00 2.90 2.95 0.00 0.00 6.91 8.01 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 28 V 7.94 3.76 1.92 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 0.72 0.00 0.00 0.58 0.00 0.00 29 A 8.63 4.62 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.50 4.71 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 0.94 0.00 0.00 0.86 0.00 0.00 31 H 9.42 5.02 0.00 3.03 2.70 0.00 5.66 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 32 V 8.24 4.66 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 1.06 0.00 0.00 0.92 0.00 0.00 33 F 9.52 6.30 0.00 3.09 3.24 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 0.00 34 R 8.88 5.09 0.00 1.23 1.72 0.00 3.07 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 35 K 8.05 4.38 0.00 1.00 1.26 0.00 1.02 0.00 0.00 1.30 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.87 0.37 7.81 36 A 7.81 4.48 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 37 A 8.61 3.90 1.24 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 0.00 0.00 0.00 38 D 7.78 4.41 0.00 2.74 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 39 D 7.96 4.47 0.00 2.64 2.95 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 0.00 0.00 0.00 40 T 7.32 4.65 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 1.20 0.00 0.00 41 W 8.59 5.20 0.00 3.01 3.26 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 42 E 9.63 4.46 0.00 2.05 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 2.38 2.48 0.00 43 P 0.00 4.56 0.00 2.07 2.20 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 44 F 9.18 4.55 0.00 3.19 3.31 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 45 A 7.72 4.66 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 46 S 7.68 4.67 0.00 3.65 3.59 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 0.00 0.00 0.00 0.00 47 G 7.87 3.99 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 0.00 48 K 8.36 5.13 0.00 1.57 1.64 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 49 T 8.99 4.15 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 50 S 8.50 4.89 0.00 3.94 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 51 E 9.03 4.17 0.00 1.94 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 2.30 2.32 0.00 52 S 7.75 4.54 0.00 4.02 3.91 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 0.00 0.00 0.00 53 G 8.73 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 54 E 7.73 4.90 0.00 1.99 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 2.32 2.29 0.00 55 L 8.65 4.94 0.00 1.63 1.46 0.88 1.36 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 56 H 8.61 4.66 0.00 3.05 3.20 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.68 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 58 L 8.09 3.98 0.00 1.71 1.67 0.94 0.80 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 59 T 7.07 4.16 4.18 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 0.94 0.00 0.00 60 T 7.80 4.73 4.28 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 1.21 0.00 0.00 61 E 9.12 4.08 0.00 2.05 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 2.41 2.41 0.00 62 E 8.33 4.18 0.00 1.98 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 2.34 2.37 0.00 63 E 7.64 4.21 0.00 2.31 2.16 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 2.39 2.31 0.00 64 F 8.09 5.07 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 65 V 7.53 4.03 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 0.91 0.00 0.00 1.02 0.00 0.00 66 E 7.91 4.42 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 67 G 7.81 3.84 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 0.00 0.00 0.00 68 I 7.09 4.27 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.93 0.00 0.00 69 Y 8.60 5.27 0.00 1.80 2.31 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 70 K 9.13 4.86 0.00 0.83 1.17 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.06 7.81 71 V 9.12 4.47 2.22 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 0.89 0.00 0.00 1.14 0.00 0.00 72 E 9.17 4.98 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 2.09 1.98 0.00 73 I 8.67 4.52 1.74 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 1.04 0.50 0.77 0.00 0.00 74 D 8.97 4.70 0.00 2.63 2.60 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 75 T 8.33 4.05 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 1.08 0.00 0.00 76 K 8.09 3.99 0.00 2.09 1.89 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.69 7.81 77 S 8.32 4.11 0.00 3.93 3.91 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 0.00 0.00 0.00 78 Y 8.05 3.97 0.00 2.78 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 79 W 8.09 4.54 0.00 3.46 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 80 K 8.72 4.63 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.39 7.81 81 A 7.77 4.23 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 82 L 8.06 4.63 0.00 1.86 1.70 0.66 0.58 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 83 G 7.83 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 0.00 0.00 0.00 0.00 84 I 7.66 3.87 1.95 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 1.36 1.40 0.87 0.00 0.00 85 S 8.45 4.53 0.00 3.86 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 86 P 0.00 4.32 0.00 2.28 2.08 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 87 F 8.00 3.90 0.00 1.64 2.64 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 0.00 0.00 0.00 88 H 7.84 4.67 0.00 3.24 3.22 0.00 5.97 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 89 E 8.80 3.94 0.00 1.61 1.75 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 2.16 2.12 0.00 90 H 7.40 4.56 0.00 3.22 3.23 0.00 5.14 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.19 4.01 0.74 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 92 E 8.49 4.84 0.00 1.93 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 2.10 2.14 0.00 93 V 8.61 4.20 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 1.02 0.00 0.00 1.01 0.00 0.00 94 V 8.62 5.20 2.21 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 1.18 0.00 0.00 0.94 0.00 0.00 95 F 9.00 5.17 0.00 3.13 3.09 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 96 T 8.76 4.58 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 1.22 0.00 0.00 97 A 8.70 4.71 0.81 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 0.00 0.00 98 N 9.24 4.45 0.00 2.83 3.05 0.00 0.00 6.94 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.27 4.84 0.00 2.78 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 0.00 100 S 7.77 4.59 0.00 3.96 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 0.00 101 G 7.90 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 0.00 102 P 0.00 4.59 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 103 R 7.72 4.38 0.00 1.71 1.33 0.00 3.36 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.53 0.00 104 R 8.86 4.78 0.00 1.68 1.84 0.00 3.20 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 105 Y 9.07 4.88 0.00 2.92 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 0.00 106 T 8.45 5.59 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 0.00 107 I 8.23 4.34 1.84 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.90 0.00 0.00 108 A 9.60 5.83 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 0.00 109 A 8.40 5.21 1.21 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 0.00 0.00 0.00 110 L 9.12 4.94 0.00 1.79 1.58 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.56 5.40 0.00 1.85 1.86 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.47 4.93 0.00 3.96 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 0.00 113 P 0.00 3.45 0.00 2.14 1.80 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.00 114 Y 7.46 4.60 0.00 2.81 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 0.00 115 S 8.04 4.71 0.00 3.85 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 0.00 116 Y 8.27 5.64 0.00 3.09 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 0.00 117 S 8.94 4.80 0.00 3.88 3.96 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 0.00 0.00 0.00 118 T 8.30 5.26 4.46 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 1.34 0.00 0.00 119 T 8.80 4.69 4.25 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 1.25 0.00 0.00 120 A 8.58 5.00 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 0.00 121 V 8.64 4.23 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 0.96 0.00 0.00 0.91 0.00 0.00 122 V 8.09 4.57 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 0.71 0.00 0.00 0.35 0.00 0.00 123 T 8.36 4.68 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 1.17 0.00 0.00 124 N 8.56 4.46 0.00 2.59 2.62 0.00 0.00 6.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.