NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 A 4.1223 8.3645 123.5821 52.2413 20.3447 177.3530 *2 T 3.9794 8.1369 110.4514 60.3894 70.4209 173.4809 *3 F 4.4936 8.4858 122.2866 57.1250 40.9380 174.9734 *4 E 4.2236 8.4392 119.4900 56.3827 31.5014 176.3239 *5 I 4.0436 8.0192 119.5050 60.3686 37.5155 176.4720 *6 V 3.9936 8.0492 120.3876 61.2703 33.4362 175.7094 *7 N 4.6136 8.4192 119.7325 52.7716 39.4273 175.0765 *8 R 4.2136 8.2492 119.4258 56.8310 31.4753 176.4663 *9 C 4.5836 8.4492 117.4731 55.5148 41.9602 174.4435 *10 S 4.3436 8.3292 118.8883 58.7373 63.8562 173.8690 *11 Y 4.4236 8.1392 121.5993 57.5197 38.5932 175.6964 *12 T 4.2236 8.1692 114.8575 61.2869 70.5521 174.7720 *13 V 3.9936 8.0492 121.4418 61.0025 33.6311 175.9994 *14 W 4.5108 8.1676 120.5878 55.9639 30.1079 174.9736 *15 A 4.1597 8.1576 121.4450 51.9403 19.5929 176.6736 *16 A 4.0943 8.1576 120.4357 51.9403 20.2277 176.7757 *17 A 4.1172 8.2592 123.1204 52.7324 20.2277 177.7456 *18 S 4.2783 8.3292 116.6376 58.4485 64.3447 174.5122 *19 K 4.2213 8.2559 122.2813 54.3189 33.4310 175.8616 *20 G 3.7995 8.3492 110.7519 46.0978 0.0000 174.2930 *21 D 4.3991 8.2576 118.6708 52.9523 41.8091 175.1400 *22 A 4.1597 8.1576 122.1644 51.9403 20.1555 176.6736 *23 A 4.1172 8.2592 123.1204 52.5898 20.2277 177.5529 *24 L 4.1483 8.1792 120.3049 54.7799 42.9660 177.0951 *25 D 4.4908 8.2576 117.6488 52.9523 41.7289 175.1736 *26 A 4.2102 8.2059 122.5433 51.9449 20.1555 177.0616 *27 G 3.7618 8.2959 106.9689 45.3270 0.0000 174.2637 *28 G 3.7078 8.3492 111.5373 46.0593 0.0000 174.7429 *29 R 4.1219 8.2492 120.8738 56.7284 31.4012 175.9450 *30 Q 4.2136 8.3392 119.1682 55.3936 30.0926 175.6508 *31 L 4.2136 8.1792 120.8462 54.7518 42.9307 177.0094 *32 N 4.6136 8.4192 118.5685 52.8268 39.5235 175.0435 *33 S 4.3713 8.2759 115.1462 57.8426 64.3632 173.8616 *34 G 3.7995 8.3492 112.1831 46.0366 0.0000 174.4087 *35 E 4.1319 8.4392 118.5544 56.4398 31.7212 176.4099 *36 S 4.3436 8.3292 118.0546 58.3175 64.3344 174.2994 *37 W 4.5336 8.2692 123.7763 56.9540 30.0084 175.8964 *38 T 4.2236 8.1692 113.4658 61.2752 69.8843 174.4239 *39 I 4.0436 8.0192 122.0830 60.3694 37.4766 175.8094 *40 N 4.6136 8.4192 120.2689 52.7813 39.4152 175.2720 *41 V 3.9936 8.0492 118.2612 61.2372 33.6988 175.8087 *42 E 4.2236 8.4392 118.6964 55.8584 31.5448 174.5159 *43 P 4.3213 0.0000 0.0000 61.7956 32.8071 176.5616 *44 G 3.7995 8.3492 110.1464 46.3124 0.0000 174.6964 *45 T 4.1319 8.1692 114.7191 61.2876 70.4635 174.0758 *46 N 4.6413 8.3659 119.0172 52.0393 39.6100 174.4616 *47 G 3.8272 8.2959 107.7834 45.3270 0.0000 174.1616 *48 G 3.7078 8.3492 111.5373 45.9329 0.0000 174.6766 *49 K 4.1019 8.3092 123.9413 55.0492 33.7069 176.2904 *50 I 4.0436 8.0192 119.5651 60.1016 37.3716 176.0994 *51 W 4.5108 8.1676 121.1241 55.9639 30.0958 174.9736 *52 A 4.1825 8.2592 124.1297 52.6772 19.5929 177.6765 *53 R 4.1483 8.2492 118.6113 56.9414 31.4568 176.1985 *54 T 4.2236 8.1692 112.9677 61.3157 70.4426 174.0930 *55 D 4.5136 8.3592 123.0880 53.8320 41.8155 176.4663 *56 C 4.5836 8.4492 118.6907 55.6220 41.9644 173.8690 *57 Y 4.4236 8.1392 120.9417 57.2359 38.4362 175.5724 *58 F 4.4936 8.3192 120.9470 57.1862 40.0894 175.1930 *59 D 4.5136 8.3592 122.2911 53.7277 41.5893 175.6930 *60 D 4.5136 8.3592 120.8217 53.7444 41.7925 176.1435 *61 S 4.3713 8.2759 116.0604 57.8426 64.2725 173.8616 *62 G 3.7995 8.3492 112.1831 46.1145 0.0000 174.7435 *63 S 4.2796 8.2759 116.5943 57.8426 64.2891 173.8281 *64 G 3.7995 8.3492 112.1831 46.0573 0.0000 174.6239 *65 I 3.9519 8.0192 120.3505 60.5017 37.4702 176.5327 *66 C 4.5836 8.4492 119.9028 55.3332 41.7925 174.4101 *67 K 4.1936 8.3092 123.9295 55.3044 33.2740 176.3964 *68 T 4.2513 8.1159 111.6279 60.5449 70.3649 173.9616 *69 G 3.7995 8.3492 113.2698 46.0978 0.0000 174.2930 *70 D 4.4219 8.3592 121.3555 53.8320 41.8091 176.4327 *71 C 4.6113 8.3959 116.3848 54.7273 41.9644 173.8616 *72 G 3.8272 8.2959 109.2196 45.3270 0.0000 174.1616 *73 G 3.7078 8.3492 111.5373 45.9719 0.0000 174.5173 *74 L 4.1219 8.1792 122.5674 54.6540 42.9104 177.2173 *75 L 4.2136 8.1792 121.5453 54.7415 42.8302 177.4765 *76 R 4.2136 8.2492 119.8517 56.8310 31.3211 176.4663 *77 C 4.5836 8.4492 117.4731 55.3332 41.9602 174.4101 *78 K 4.1936 8.3092 123.9295 55.0512 33.2740 176.4765 *79 R 4.2136 8.2492 120.0884 56.6576 31.3026 175.9724 *80 F 4.5213 8.2659 116.7513 56.4154 39.9799 175.0616 *81 G 3.7995 8.3492 112.4729 46.0593 0.0000 174.7765 *82 R 4.1219 8.2492 120.8738 56.1620 31.4012 174.1824 *83 P 4.2936 0.0000 0.0000 62.0017 32.7409 175.2159 *84 P 4.2936 0.0000 0.0000 62.7811 32.6553 177.0964 *85 T 4.2236 8.1692 113.3282 61.5303 70.3570 174.4964 *86 T 4.2236 8.1692 116.4517 61.1898 70.4698 174.3508 *87 L 4.1908 8.0776 121.6152 54.0045 42.9168 176.4736 *88 A 4.1825 8.2592 124.3609 52.6545 20.0919 177.3087 *89 E 4.1583 8.4392 116.2918 56.3540 31.7768 176.3745 *90 F 4.4936 8.3192 119.9631 57.2029 40.0460 175.6435 *91 S 4.3436 8.3292 119.8357 58.4875 64.0693 174.2508 *92 L 4.2136 8.1792 123.2132 54.7518 42.6345 177.0094 *93 N 4.6136 8.4192 118.5685 52.8117 39.5235 174.8786 *94 Q 4.2136 8.3392 119.4716 55.6434 30.1874 175.2690 *95 Y 4.4513 8.0859 116.9265 56.5343 38.8894 175.1616 *96 G 3.7995 8.3492 111.6757 45.9329 0.0000 174.7101 *97 K 4.1019 8.3092 123.9413 55.0897 33.7069 175.9595 *98 D 4.5136 8.3592 120.5701 53.8517 41.7105 175.5690 *99 Y 4.4236 8.1392 120.4197 57.2646 38.8525 175.6239 *100 I 4.0436 8.0192 120.4889 60.3974 37.5589 175.7930 *101 D 4.5136 8.3592 122.0338 53.6872 41.6206 176.0239 *102 I 4.0436 8.0192 119.8166 60.4141 37.4536 176.2435 *103 S 4.3436 8.3292 119.5784 58.5853 64.1006 174.0094 *104 N 4.6136 8.4192 120.2363 52.7696 39.3278 174.9239 *105 I 4.0436 8.0192 118.9024 60.2325 37.5443 176.2101 *106 K 4.2213 8.2559 122.3138 54.3189 33.5184 175.8616 *107 G 3.7995 8.3492 110.7519 46.0286 0.0000 174.5724 *108 F 4.4019 8.3192 120.8086 57.1581 40.0007 175.1758 *109 N 4.6136 8.4192 120.5262 52.7813 39.3839 175.2720 *110 V 3.9936 8.0492 118.2612 60.7337 33.6988 174.2159 *111 P 4.2936 0.0000 0.0000 62.7340 32.5854 176.8705 *112 M 4.3536 8.2992 119.2033 55.0056 33.2644 175.7094 *113 N 4.6136 8.4192 118.6721 52.7409 39.7600 174.8724 *114 F 4.4936 8.3192 119.3605 57.2029 40.0748 175.6435 *115 S 4.3436 8.3292 119.8357 58.0486 64.0693 172.5159 *116 P 4.2936 0.0000 0.0000 62.7811 32.4859 177.0964 *117 T 4.2236 8.1692 113.3282 61.5303 70.3570 174.4964 *118 T 4.2236 8.1692 116.4517 61.2772 70.4698 174.5765 *119 R 4.2413 8.1959 120.3005 55.9559 31.4076 175.5616 *120 G 3.7995 8.3492 109.7858 46.2021 0.0000 175.0662 *121 C 4.4919 8.4492 119.2245 55.4596 41.9810 174.4429 *122 R 4.2413 8.1959 118.5562 55.9559 30.9683 175.5616 *123 G 3.7995 8.3492 109.7858 46.0690 0.0000 174.9720 *124 V 3.9019 8.0492 119.7093 61.2599 33.6247 176.1429 *125 R 4.2136 8.2492 121.0158 56.8310 31.2248 176.4663 *126 C 4.5608 8.3476 114.7884 54.7227 41.9602 173.4736 *127 A 4.1597 8.1576 122.6865 51.9403 19.7392 176.6736 *128 A 4.1172 8.2592 123.1204 52.7157 20.2277 177.2951 *129 D 4.4483 8.3592 119.0930 53.6872 41.8647 176.1260 *130 I 4.0436 8.0192 119.8166 60.3686 37.4536 176.4720 *131 V 4.0213 7.9959 118.0817 60.5276 33.4362 175.5616 *132 G 3.7995 8.3492 111.6793 46.0994 0.0000 174.5786 *133 Q 4.1219 8.3392 120.9197 55.6238 30.1134 176.1327 *134 C 4.5836 8.4492 117.5033 54.9333 42.0013 172.5159 *135 P 4.2708 0.0000 0.0000 61.7911 32.3289 176.1736 *136 A 4.1825 8.2592 123.9921 52.5508 20.0656 177.6101 *137 K 4.1283 8.3092 121.6788 54.9638 33.7625 176.3529 *138 L 4.2136 8.1792 121.7820 54.6150 42.8118 177.4101 *139 K 4.1708 8.2076 120.2346 54.3143 33.6267 175.4736 *140 A 4.1825 8.2592 124.5975 52.1509 20.0735 175.7159 *141 P 4.2560 0.0000 0.0000 61.7956 32.8174 176.6637 *142 G 3.8272 8.2959 107.8405 45.3270 0.0000 174.1616 *143 G 3.7355 8.2959 109.2314 45.3270 0.0000 174.1281 *144 G 3.7078 8.3492 111.5373 46.2021 0.0000 175.0327 *145 C 4.4919 8.4492 119.2245 55.4700 41.9810 173.9758 *146 N 4.6136 8.4192 119.5787 52.8101 39.1707 174.5930 *147 D 4.4908 8.2576 117.2228 52.9523 41.8832 175.1736 *148 A 4.1825 8.2592 124.8491 52.8200 20.1555 177.9663 *149 C 4.5183 8.4492 116.9620 55.7127 42.0366 174.4985 *150 T 4.2236 8.1692 114.7073 61.2869 70.0306 174.7720 *151 V 3.9936 8.0492 121.4418 61.2292 33.6311 175.9724 *152 F 4.4936 8.3192 120.9506 57.1878 39.8243 175.4786 *153 Q 4.2136 8.3392 121.8553 55.7341 29.8936 175.7964 *154 T 4.2236 8.1692 112.9979 61.3324 70.4838 174.5435 *155 S 4.3436 8.3292 120.6326 58.5522 64.2955 174.1087 *156 E 4.2236 8.4392 119.2002 56.5471 31.4453 175.8690 *157 Y 4.4236 8.1392 120.1080 57.4094 38.9144 176.0662 *158 C 4.5836 8.4492 119.3629 55.6024 42.0696 174.7663 *159 C 4.5836 8.4492 119.2127 55.7127 41.5481 174.3964 *160 T 4.2236 8.1692 114.7073 61.5303 70.0306 174.4964 *161 T 4.2513 8.1159 114.1458 60.5449 70.4698 173.9616 *162 G 3.7995 8.3492 113.2698 45.9329 0.0000 174.7101 *163 K 4.1019 8.3092 123.9413 55.1940 33.7069 176.7327 *164 C 4.6113 8.3959 116.1332 54.7273 41.8824 173.8616 *165 G 3.7995 8.3492 111.5255 45.5330 0.0000 172.8159 *166 P 4.2019 0.0000 0.0000 62.7811 32.7618 177.0628 *167 T 4.2236 8.1692 113.3282 61.2545 70.3570 174.2087 *168 E 4.2236 8.4392 120.2869 56.5471 31.7276 175.8690 *169 Y 4.4236 8.1392 120.1080 57.3218 38.9144 175.7435 *170 S 4.3436 8.3292 119.0385 58.5749 64.3778 174.4765 *171 R 4.2136 8.2492 121.5196 56.6576 31.1253 175.9724 *172 F 4.4936 8.3192 119.0571 57.1170 39.9799 175.4724 *173 F 4.4936 8.3192 121.7442 57.0213 39.7809 175.6101 *174 K 4.1936 8.3092 124.8769 55.0512 33.4871 176.4765 *175 R 4.2136 8.2492 120.0884 56.6009 31.3026 175.9508 *176 L 4.2136 8.1792 120.8159 54.8842 42.8896 177.7663 *177 C 4.5836 8.4492 118.2024 54.9333 41.9008 172.5159 *178 P 4.2936 0.0000 0.0000 62.5665 32.3289 176.6930 *179 D 4.4908 8.2576 117.2799 52.9523 41.7026 175.1736 *180 A 4.1825 8.2592 124.8491 52.6465 20.1555 177.4724 *181 F 4.4283 8.3192 118.5460 57.2029 40.0563 175.7456 *182 S 4.3436 8.3292 119.8357 58.7373 64.0693 173.8690 *183 Y 4.4236 8.1392 121.5993 57.2763 38.5932 175.9720 *184 V 3.9936 8.0492 119.8476 61.1725 33.7134 175.9508 *185 L 4.2136 8.1792 122.7094 54.7799 42.7340 176.9930 *186 D 4.5136 8.3592 120.3334 53.5628 41.7289 176.1101 *187 K 4.1936 8.3092 123.4075 54.5250 33.6903 174.5159 *188 P 4.2936 0.0000 0.0000 62.7811 32.6631 177.0964 *189 T 4.2236 8.1692 113.3282 61.5303 70.3570 174.4964 *190 T 4.2236 8.1692 116.4517 61.2869 70.4698 174.7720 *191 V 3.9936 8.0492 121.4418 61.5131 33.6311 176.0964 *192 T 4.2236 8.1692 114.8611 61.4200 70.2871 174.8663 *193 C 4.5836 8.4492 120.9570 54.9333 41.9874 172.5159 *194 P 4.3213 0.0000 0.0000 61.7956 32.3289 176.5616 *195 G 3.7995 8.3492 110.1464 46.1145 0.0000 174.7435 *196 S 4.2519 8.3292 118.9001 58.6301 64.2891 174.4099 *197 S 4.3436 8.3292 119.5459 58.5853 64.0132 174.0094 *198 N 4.6136 8.4192 120.2363 52.9340 39.3278 174.4690 *199 Y 4.4236 8.1392 119.5055 57.2666 38.9431 175.7765 *200 R 4.2136 8.2492 121.0122 56.6979 31.4899 176.3721 *201 V 3.9936 8.0492 117.9578 61.5131 33.6039 176.0964 *202 T 4.2236 8.1692 114.8611 61.2465 70.2871 174.3724 *203 F 4.4936 8.3192 122.5411 57.2905 40.0071 175.9663 *204 C 4.5836 8.4492 120.1601 54.9333 41.7612 172.5159 *205 P 4.2936 0.0000 0.0000 62.7811 32.3289 177.0964 *206 T 4.2008 8.0676 110.6435 60.5403 70.3570 173.5736 *207 A 4.1825 8.2592 127.1155 52.5182 18.8971 176.6053 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 A 8.36 4.12 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 *2 T 8.14 3.98 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 1.21 0.00 0.00 *3 F 8.49 4.49 0.00 2.04 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 0.00 0.00 0.00 0.00 *4 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *5 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *6 V 8.05 3.99 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 *7 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *8 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 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 1.45 1.69 0.00 *9 C 8.45 4.58 0.00 2.69 2.93 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 *10 S 8.33 4.34 0.00 3.59 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 *11 Y 8.14 4.42 0.00 2.07 2.14 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 *12 T 8.17 4.22 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 1.21 0.00 0.00 *13 V 8.05 3.99 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 *14 W 8.17 4.51 0.00 2.26 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 0.00 0.00 0.00 0.00 *15 A 8.16 4.16 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 *16 A 8.16 4.09 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 *17 A 8.26 4.12 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 *18 S 8.33 4.28 0.00 3.61 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 *19 K 8.26 4.22 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *20 G 8.35 3.80 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 0.00 0.00 0.00 *21 D 8.26 4.40 0.00 2.46 2.49 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 0.00 *22 A 8.16 4.16 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 *23 A 8.26 4.12 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 *24 L 8.18 4.15 0.00 1.42 1.50 0.92 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 *25 D 8.26 4.49 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.21 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 *27 G 8.30 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 0.00 0.00 0.00 *28 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 *29 R 8.25 4.12 0.00 1.59 1.76 0.00 3.23 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 1.45 1.69 0.00 *30 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 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0.00 0.00 0.00 0.00 *105 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *106 K 8.26 4.22 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *107 G 8.35 3.80 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 0.00 0.00 0.00 *108 F 8.32 4.40 0.00 2.06 2.11 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 *109 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.67 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 *110 V 8.05 3.99 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 *111 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *112 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *113 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.43 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 *114 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 0.00 *115 S 8.33 4.34 0.00 3.59 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 *116 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *117 T 8.17 4.22 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 1.21 0.00 0.00 *118 T 8.17 4.22 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 1.21 0.00 0.00 *119 R 8.20 4.24 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *120 G 8.35 3.80 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 0.00 0.00 0.00 *121 C 8.45 4.49 0.00 2.71 2.91 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 *122 R 8.20 4.24 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *123 G 8.35 3.80 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 0.00 0.00 0.00 *124 V 8.05 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 *125 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 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 1.45 1.69 0.00 *126 C 8.35 4.56 0.00 2.69 2.93 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 *127 A 8.16 4.16 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 *128 A 8.26 4.12 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 *129 D 8.36 4.45 0.00 2.46 2.49 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 0.00 *130 I 8.02 4.04 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 1.27 0.97 0.91 0.00 0.00 *131 V 8.00 4.02 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 0.84 0.00 0.00 0.93 0.00 0.00 *132 G 8.35 3.80 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 0.00 0.00 0.00 *133 Q 8.34 4.12 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *134 C 8.45 4.58 0.00 2.69 2.93 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 *135 P 0.00 4.27 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *136 A 8.26 4.18 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 *137 K 8.31 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *138 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 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 *139 K 8.21 4.17 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *140 A 8.26 4.18 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 *141 P 0.00 4.26 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *142 G 8.30 3.83 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 0.00 0.00 0.00 *143 G 8.30 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 *144 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 *145 C 8.45 4.49 0.00 2.71 2.91 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 *146 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *147 D 8.26 4.49 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *148 A 8.26 4.18 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 *149 C 8.45 4.52 0.00 2.71 2.91 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 *150 T 8.17 4.22 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 1.21 0.00 0.00 *151 V 8.05 3.99 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 *152 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 0.00 *153 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *154 T 8.17 4.22 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 1.21 0.00 0.00 *155 S 8.33 4.34 0.00 3.59 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 *156 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *157 Y 8.14 4.42 0.00 2.07 2.14 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 *158 C 8.45 4.58 0.00 2.69 2.93 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 *159 C 8.45 4.58 0.00 2.69 2.93 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 *160 T 8.17 4.22 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 1.21 0.00 0.00 *161 T 8.12 4.25 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 1.21 0.00 0.00 *162 G 8.35 3.80 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 0.00 0.00 0.00 *163 K 8.31 4.10 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *164 C 8.40 4.61 0.00 2.69 2.93 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 *165 G 8.35 3.80 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 0.00 0.00 0.00 *166 P 0.00 4.20 0.00 1.85 1.87 0.00 3.65 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 1.84 2.08 0.00 *167 T 8.17 4.22 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 1.21 0.00 0.00 *168 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *169 Y 8.14 4.42 0.00 2.07 2.14 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 *170 S 8.33 4.34 0.00 3.59 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 *171 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 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 1.45 1.69 0.00 *172 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 0.00 *173 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 0.00 *174 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *175 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 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 1.45 1.69 0.00 *176 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *177 C 8.45 4.58 0.00 2.69 2.93 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 *178 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *179 D 8.26 4.49 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *180 A 8.26 4.18 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 *181 F 8.32 4.43 0.00 2.06 2.11 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 *182 S 8.33 4.34 0.00 3.59 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 *183 Y 8.14 4.42 0.00 2.07 2.14 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 *184 V 8.05 3.99 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 *185 L 8.18 4.21 0.00 1.40 1.51 0.92 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 *186 D 8.36 4.51 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *187 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *188 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *189 T 8.17 4.22 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 1.21 0.00 0.00 *190 T 8.17 4.22 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 1.21 0.00 0.00 *191 V 8.05 3.99 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 *192 T 8.17 4.22 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 1.21 0.00 0.00 *193 C 8.45 4.58 0.00 2.69 2.93 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 *194 P 0.00 4.32 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 *195 G 8.35 3.80 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 0.00 0.00 0.00 *196 S 8.33 4.25 0.00 3.61 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 *197 S 8.33 4.34 0.00 3.59 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 *198 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.55 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 *199 Y 8.14 4.42 0.00 2.07 2.14 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 *200 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 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 1.45 1.69 0.00 *201 V 8.05 3.99 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 *202 T 8.17 4.22 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 1.21 0.00 0.00 *203 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 0.00 *204 C 8.45 4.58 0.00 2.69 2.93 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 *205 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 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 1.84 2.08 0.00 *206 T 8.07 4.20 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 1.21 0.00 0.00 *207 A 8.26 4.18 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 * Residues marked with a * may have inaccurate shift predictions.