NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8575 8.4545 109.7364 46.1244 0.0000 173.3210 3 N 4.1002 8.6720 121.9434 52.0690 41.1355 167.2067 4 K 3.7646 9.0852 122.0809 56.2115 28.8727 172.1211 5 I 3.9092 8.0598 124.8730 59.5987 36.3390 174.9770 *6 H 4.2922 8.7189 118.5040 55.6314 27.9503 175.7775 7 P 4.4894 0.0000 0.0000 67.5687 30.6082 174.7892 8 I 4.1350 7.9499 118.8710 64.3371 34.9281 181.4997 9 G 3.7119 8.2460 109.1314 48.5982 0.0000 175.4781 *10 F 4.3555 8.1472 123.4161 60.9963 38.2618 181.2482 11 R 4.8379 8.9171 120.4548 59.1042 30.1844 183.3496 12 L 4.5195 6.9507 123.4739 59.7855 40.7548 184.5648 13 G 3.9660 8.1780 106.2019 49.3412 0.0000 173.9600 14 I 4.5207 7.5377 124.5545 61.6149 36.7343 179.7270 15 T 3.9123 7.3586 110.1893 62.2168 67.7049 171.4323 16 R 5.0759 7.7336 134.7910 56.8632 33.8257 175.9821 17 D 5.1050 8.1442 123.1239 50.7486 43.8171 173.4727 *18 W 4.4112 8.4131 118.7887 57.6371 28.9651 173.7191 19 E 4.2174 9.0407 124.5939 58.8340 30.2448 173.6553 20 S 5.1661 7.8260 115.6615 56.9210 63.9480 177.9310 21 R 4.5322 8.0898 127.8564 55.8404 30.9629 175.1233 *22 W 4.2685 8.0729 127.9620 56.8550 31.9701 169.9783 *23 Y 4.7114 9.4241 116.7880 55.2181 40.4638 178.1411 24 A 4.6704 8.4706 121.6872 53.9168 19.6615 178.7577 25 G 3.6659 8.8833 110.6614 48.2872 0.0000 171.7027 26 K 4.0824 8.1519 123.2870 54.4300 30.2599 175.2833 27 K 4.7259 8.0657 120.2714 54.8693 33.8422 179.3081 28 Q 4.3894 7.7935 120.0633 58.8205 29.6007 181.6740 *29 Y 3.7608 6.8412 118.4181 60.8204 37.5206 180.5056 30 R 4.4312 8.2573 122.7427 62.6825 29.8685 181.1945 *31 H 4.3936 8.2556 121.5389 60.1785 27.8774 179.6684 32 L 4.2468 8.3713 126.8460 59.8330 41.0850 181.2247 33 L 4.3564 9.3711 125.8846 60.2280 40.6816 181.9458 34 L 4.2158 8.4279 125.8361 60.3226 40.6481 181.7976 35 E 4.2385 8.3335 121.6740 61.8678 29.5073 181.5630 36 D 4.6330 8.6667 124.4158 59.2698 39.7324 181.2591 37 Q 4.3289 7.7600 123.3502 60.7674 28.1612 181.7323 38 R 4.3353 8.0565 123.1875 62.7903 29.6103 181.9413 39 I 3.9050 7.7644 123.2213 65.7555 35.2204 180.6979 40 R 4.4159 8.4415 121.9794 61.3505 29.1097 181.4404 41 G 3.8119 8.2559 106.7507 48.7978 0.0000 176.6737 42 L 4.0927 8.5338 128.2460 59.7046 41.1734 181.6562 43 L 4.2789 8.0984 125.6527 59.9231 40.4927 181.6031 44 E 4.3157 7.9134 120.0667 61.6106 29.9101 182.4568 45 K 4.5019 7.9213 125.0008 59.3805 31.5639 179.5765 46 E 4.7724 8.0819 118.1397 60.6547 31.7636 184.6117 47 L 4.8158 8.2945 125.6818 56.8699 40.7022 182.0429 *48 Y 4.2178 9.4415 124.0657 60.7011 37.5075 180.8583 49 S 4.1768 8.0556 116.2778 59.8650 62.8974 177.3139 50 A 4.3284 8.2884 122.1001 55.6149 20.1952 177.5857 51 G 4.2287 7.6147 107.1717 46.6162 0.0000 175.1771 52 L 4.3340 7.8713 117.6431 54.7452 41.8425 178.1723 53 A 4.7097 9.2533 128.4750 53.1128 20.9881 177.5577 54 R 4.5475 7.6251 114.8298 56.8495 34.0112 177.1064 55 V 4.2929 8.3680 121.3906 60.2831 33.4743 176.2215 56 D 5.3313 8.4538 130.0247 53.6001 41.1627 175.1066 57 I 4.4156 8.3670 123.5238 59.5278 39.0549 173.7516 58 E 5.0911 8.7701 128.3046 54.3504 32.5517 172.9398 59 R 5.2500 8.2797 118.3928 55.6796 33.9152 176.3654 60 A 4.3137 8.2048 120.9924 51.1865 19.1112 173.5856 61 A 3.4841 8.5487 132.7436 54.5052 16.0444 178.7536 62 D 4.4949 8.9543 120.6301 55.2882 37.3746 172.4231 63 N 4.9466 7.7321 118.9414 52.4523 38.7140 178.6064 64 V 4.1560 7.8527 122.5186 59.9143 32.8020 175.4936 65 A 4.2252 8.1878 121.5060 53.5784 20.5996 176.0047 66 V 3.3644 7.8486 124.7361 61.5385 29.6929 174.1383 67 T 4.9130 8.2715 121.8742 58.7525 69.5278 170.5024 68 V 3.7686 8.7309 129.0544 62.0381 33.3831 175.0692 *69 H 5.0143 8.9439 126.8313 53.6879 29.5446 172.4162 70 V 5.5676 8.5013 122.2094 57.8612 35.8867 172.8367 71 A 4.1734 8.8444 122.3049 54.4335 20.0359 179.1760 72 K 4.4769 7.5522 119.7954 52.5071 31.5406 177.6042 73 P 4.3982 0.0000 0.0000 67.3197 30.8657 179.3291 74 G 4.0005 8.2433 105.0347 48.9670 0.0000 176.7446 75 V 3.8136 8.0715 123.7444 66.2082 31.6882 182.2546 76 V 4.0683 7.6724 120.7627 67.4372 31.9007 180.9579 77 I 3.8827 8.3641 122.1005 60.7251 35.0163 179.1211 78 G 3.7756 8.4392 110.9322 44.4622 0.0000 173.7749 79 R 3.8557 8.6379 117.3385 57.1726 28.4643 173.9900 80 G 4.0181 9.1637 112.6918 44.5375 0.0000 172.7180 81 G 4.1690 7.9525 111.0440 46.8596 0.0000 176.0570 82 E 4.3321 8.4921 122.5767 60.6673 30.3312 180.4806 83 R 4.3996 8.0330 122.0192 61.4815 29.3255 181.7325 84 I 4.3960 7.6050 119.5959 63.7352 35.4698 182.6451 85 R 4.4880 7.8887 125.1348 62.1276 29.4882 184.5834 86 V 3.9070 7.6934 122.3635 66.2974 31.7822 180.8227 87 L 4.3539 7.9705 125.8211 60.1315 40.6462 181.8658 88 R 4.2189 7.3795 122.8287 61.8655 29.5644 180.7415 89 E 4.5224 8.2932 120.2110 61.3463 29.4312 182.1786 90 E 4.3244 9.5638 121.9148 61.5586 29.6473 182.1950 91 L 4.4767 8.6944 122.4426 59.3027 40.7992 182.5860 92 A 4.9952 7.8628 124.1865 55.4403 18.2957 180.3502 93 K 3.9265 7.3047 122.7522 59.2439 31.8992 179.4126 94 L 4.7146 8.0866 119.5646 56.7520 43.1355 183.1868 95 T 4.6465 8.0722 112.4407 58.7021 71.1002 176.2648 96 G 3.9858 8.8112 117.0910 45.4366 0.0000 175.7510 97 K 3.8059 8.1371 124.0688 56.2808 31.6913 180.4480 98 N 4.1740 7.7706 117.3486 53.2512 34.3042 179.0851 99 V 4.5730 7.7165 119.3965 58.1702 36.1259 175.1993 100 A 4.7221 7.6536 123.0526 53.9834 21.4571 177.1399 101 L 4.4297 8.3109 116.7095 55.5260 44.6121 171.0509 102 N 5.0278 9.2581 126.8563 51.1787 41.1828 171.9459 103 V 4.9506 8.1165 118.5586 61.3552 34.7247 175.3350 104 Q 4.5314 8.6669 130.5226 53.7020 29.5023 173.2741 105 E 4.2680 9.0563 125.1921 56.6934 30.8963 173.8789 106 V 4.1445 8.1711 122.0795 61.0352 32.7526 178.5210 107 Q 4.0111 8.9732 127.9301 55.6375 26.5067 170.4061 108 N 4.1722 8.6710 125.4820 51.3939 34.2119 172.5786 109 P 4.3956 0.0000 0.0000 64.7620 31.1899 178.3917 110 N 4.8633 8.2164 112.3694 54.5907 36.9635 181.3508 111 L 4.7111 8.0003 117.4235 54.6359 43.4905 181.6641 112 S 4.6969 8.2267 120.2221 59.6050 63.6844 178.5492 113 A 4.1494 8.7052 132.0086 54.9775 18.1641 177.6044 114 P 4.2416 0.0000 0.0000 68.1616 30.6661 181.2909 115 L 4.2938 7.8245 123.3154 60.1257 41.3789 182.3205 116 V 3.9907 8.3894 120.7377 65.4994 31.2200 179.7003 117 A 4.4464 8.3088 121.7178 55.9082 18.7483 179.8927 118 Q 3.7666 8.3539 120.9183 61.4283 28.0995 181.9523 119 R 4.1624 8.5914 124.4612 62.3959 29.3433 181.9933 120 V 3.8097 7.6050 117.8837 66.6359 31.5203 179.8907 121 A 4.0574 8.8437 122.2737 56.3480 18.3546 179.8246 122 E 3.8537 9.3365 116.4279 61.9493 30.0029 182.5285 123 Q 4.2059 8.3268 122.4820 60.8964 28.3480 182.6243 124 I 3.9963 7.9540 124.7942 65.7840 35.2854 180.6519 125 E 4.3705 8.2668 121.1654 60.8028 29.4988 180.6406 126 R 4.6199 7.8022 120.3082 58.1781 30.8625 182.2263 127 R 4.0316 7.8743 118.6608 59.0009 26.7160 180.2670 *128 F 4.7844 7.4701 116.6557 53.9200 41.6824 177.3268 129 A 4.0277 8.8010 127.7642 52.7868 19.0206 179.7052 130 V 3.6325 8.5830 127.7908 66.9737 32.0144 175.7881 131 R 4.2517 8.3034 123.7863 62.4572 28.6069 180.4475 132 R 4.3288 8.1960 119.1933 60.4142 29.5362 182.1471 133 A 4.4026 8.1472 122.9756 56.3845 18.7596 179.5825 134 I 3.7990 8.3770 121.0414 64.4265 35.3162 180.3053 135 K 4.2059 8.0756 126.5465 61.1572 31.9895 181.4073 136 Q 4.1922 9.2691 121.4423 59.9980 28.1544 180.9913 137 A 4.1870 9.2302 125.8619 56.0750 18.3932 180.4212 138 V 3.5836 8.0197 119.2789 67.2168 31.4585 181.1245 139 Q 4.2874 8.1757 123.1589 60.9360 27.6841 181.5186 140 R 4.2140 7.7996 123.7963 62.4003 29.6025 181.1501 141 V 4.1678 7.9858 121.8054 66.8789 31.4531 180.8197 142 M 4.2310 8.2743 122.9457 60.4729 31.3409 180.8095 143 E 4.5908 9.5417 118.4008 58.8797 31.0678 179.1413 144 S 5.0173 8.6241 114.6384 58.1112 63.8318 179.5934 145 G 3.8899 7.6920 111.9645 43.2944 0.0000 170.6335 146 A 3.5131 8.5233 132.9226 52.6709 18.2761 177.5675 147 K 4.4723 8.1501 121.8911 54.4906 33.3889 176.1339 148 G 4.8537 7.6297 104.9485 47.1287 0.0000 172.5006 149 A 5.2434 8.3304 126.6105 51.0322 23.8579 175.9227 150 K 4.5294 8.3062 119.8419 55.4427 36.6768 175.3361 151 V 4.9337 8.4820 127.7967 59.2374 34.5741 172.4177 152 I 4.9100 9.3014 126.8847 58.6101 39.5294 173.5146 153 V 4.8421 8.3683 127.1798 58.8373 35.1293 174.3622 154 S 4.8099 8.9043 119.9484 57.8624 62.8137 171.0954 155 G 4.6011 8.6551 109.4017 47.0475 0.0000 173.6110 156 R 3.8687 8.8250 116.2327 57.3489 26.4327 172.4694 157 I 3.8369 6.9244 115.8345 64.3732 34.6048 179.3539 158 G 3.9141 8.6579 114.6631 44.1476 0.0000 172.5829 159 G 3.7914 8.9168 107.3361 45.6544 0.0000 174.2098 160 A 4.0991 8.0003 123.6460 52.7248 18.7691 179.3438 161 E 4.1181 8.8085 118.2017 58.2525 30.3163 178.4860 162 Q 4.4711 7.7756 115.1205 53.4939 29.5393 180.4691 163 A 4.2349 8.6160 128.5069 52.0492 17.6138 177.4566 164 R 4.5732 8.2476 124.3504 56.9285 32.0952 173.4865 165 T 5.6057 8.1848 109.5594 62.5755 72.3853 169.6161 166 E 4.7360 9.1548 126.7811 54.9613 33.2347 172.6599 *167 W 4.3705 8.8734 123.1977 55.4534 29.6851 174.9126 168 A 3.7855 9.5079 128.0294 51.9676 18.6225 178.0356 169 A 4.5866 7.6886 126.7359 52.7028 21.5806 176.1927 170 Q 4.6181 7.7177 120.2274 53.1497 32.3227 173.8480 171 G 4.1638 8.4214 106.4100 47.3198 0.0000 173.3814 172 R 4.4799 8.0638 119.1765 55.6395 30.6861 173.0187 173 V 4.5114 8.0777 121.1875 58.9526 32.6621 171.3338 174 P 4.7268 0.0000 0.0000 60.3355 29.8252 175.7778 175 L 4.2346 8.3133 127.1878 56.4566 41.3526 177.4467 *176 H 4.4633 8.1297 114.6192 57.5908 28.7037 181.6628 177 T 4.2135 7.6233 112.2630 60.8378 67.3598 181.2153 178 L 4.7657 8.2332 135.0000 53.0467 39.5239 175.2272 179 R 4.7023 7.9263 119.1275 57.6630 37.4496 178.2868 180 A 3.9759 8.2256 123.4942 55.2281 19.0163 176.7396 181 N 4.0936 8.2915 114.3645 53.0914 33.7581 174.2807 182 I 4.7939 7.5017 122.3737 59.2377 38.0978 177.6073 183 D 4.7180 9.3078 131.7749 53.5631 40.9780 172.4576 *184 Y 5.1779 8.0219 121.6906 55.2976 41.4512 173.5896 185 G 4.1286 8.1107 104.3159 47.0875 0.0000 173.3253 *186 F 5.4740 8.8345 122.3719 55.1758 41.4706 173.5623 187 A 4.7769 9.6019 129.6377 49.7859 21.1837 176.4276 188 L 4.6793 8.5413 124.0191 54.0917 43.1289 174.0371 189 A 4.5688 9.0575 123.7328 51.0111 20.5624 176.6661 190 R 4.4360 8.6259 122.8872 58.7252 30.7796 174.9856 191 T 4.3273 8.2475 111.2151 61.2780 72.7319 176.5398 192 T 3.9852 8.8469 116.2851 64.7153 68.4201 176.2573 *193 Y 4.5310 9.2983 115.1352 56.5541 37.9271 181.1669 194 G 3.8107 6.6930 109.1691 46.3276 0.0000 172.2390 195 V 4.8675 8.0500 121.8823 60.1680 34.1588 171.8468 196 L 4.7802 8.9881 127.7311 52.1451 44.3406 173.1414 197 G 4.3389 8.7852 113.1695 44.7267 0.0000 173.4585 198 V 4.9815 9.4351 125.6005 59.9095 35.3033 174.3333 199 K 5.1766 9.3761 129.6796 52.3674 34.6842 171.6344 200 A 5.0885 9.0504 127.9654 50.3359 22.3709 175.1685 *201 Y 4.9064 9.0068 125.0876 56.3236 41.0127 172.6980 202 I 4.8010 8.9704 123.4486 59.4732 40.4091 174.7376 *203 F 4.9828 9.5972 130.4719 55.2844 40.2106 172.4004 204 L 4.7090 8.0618 126.2024 51.8336 43.4272 174.3383 205 G 3.8569 9.3326 117.6348 46.1307 0.0000 174.4230 206 E 4.5954 9.0525 119.3217 56.9941 32.5681 176.5171 207 V 3.9045 8.5466 117.9645 61.4349 31.6499 178.5667 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 G 8.45 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 3 N 8.67 4.10 0.00 2.77 2.57 0.00 0.00 6.86 6.56 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 4 K 9.09 3.76 0.00 1.95 1.80 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.99 7.81 5 I 8.06 3.91 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 1.10 0.91 0.00 0.00 *6 H 8.72 4.29 0.00 2.83 3.00 0.00 7.16 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.49 0.00 2.16 2.00 0.00 3.72 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 1.94 1.66 0.00 8 I 7.95 4.13 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 1.57 0.54 0.91 0.00 0.00 9 G 8.25 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 *10 F 8.15 4.36 0.00 2.42 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 0.00 0.00 0.00 0.00 11 R 8.92 4.84 0.00 1.63 1.89 0.00 3.26 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 12 L 6.95 4.52 0.00 1.75 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.18 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 0.00 0.00 0.00 14 I 7.54 4.52 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 1.16 0.82 0.91 0.00 0.00 15 T 7.36 3.91 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 16 R 7.73 5.08 0.00 1.80 1.90 0.00 3.17 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 17 D 8.14 5.11 0.00 2.64 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 *18 W 8.41 4.41 0.00 2.42 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 0.00 0.00 0.00 19 E 9.04 4.22 0.00 1.65 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 2.32 1.90 0.00 20 S 7.83 5.17 0.00 3.37 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 21 R 8.09 4.53 0.00 1.49 1.85 0.00 3.27 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 *22 W 8.07 4.27 0.00 2.22 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 0.00 0.00 0.00 *23 Y 9.42 4.71 0.00 2.29 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 24 A 8.47 4.67 1.09 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 0.00 0.00 25 G 8.88 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 26 K 8.15 4.08 0.00 1.97 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.99 7.81 27 K 8.07 4.73 0.00 1.72 1.64 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 0.95 7.81 28 Q 7.79 4.39 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.43 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 *29 Y 6.84 3.76 0.00 2.33 2.15 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 30 R 8.26 4.43 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 *31 H 8.26 4.39 0.00 2.91 3.10 0.00 7.16 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 32 L 8.37 4.25 0.00 1.70 1.61 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.37 4.36 0.00 1.65 1.74 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.40 0.00 1.99 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.61 0.00 110 N 8.22 4.86 0.00 2.74 2.73 0.00 0.00 6.32 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 0.00 111 L 8.00 4.71 0.00 1.63 1.48 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.23 4.70 0.00 3.70 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.71 4.15 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 0.00 114 P 0.00 4.24 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.69 0.00 115 L 7.82 4.29 0.00 1.65 1.69 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.39 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 0.73 0.00 0.00 0.93 0.00 0.00 117 A 8.31 4.45 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 0.00 118 Q 8.35 3.77 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 119 R 8.59 4.16 0.00 1.77 1.95 0.00 3.26 0.00 0.00 3.20 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 120 V 7.60 3.81 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 0.73 0.00 0.00 0.93 0.00 0.00 121 A 8.84 4.06 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 0.00 122 E 9.34 3.85 0.00 1.94 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 2.26 2.25 0.00 123 Q 8.33 4.21 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 124 I 7.95 4.00 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 1.38 0.53 0.91 0.00 0.00 125 E 8.27 4.37 0.00 2.06 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 2.19 0.00 126 R 7.80 4.62 0.00 1.92 1.82 0.00 3.39 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 127 R 7.87 4.03 0.00 1.96 1.83 0.00 3.18 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 *128 F 7.47 4.78 0.00 2.25 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 0.00 0.00 0.00 129 A 8.80 4.03 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 0.00 130 V 8.58 3.63 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 0.80 0.00 0.00 0.93 0.00 0.00 131 R 8.30 4.25 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 132 R 8.20 4.33 0.00 1.81 1.88 0.00 3.25 0.00 0.00 3.34 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 133 A 8.15 4.40 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 0.00 134 I 8.38 3.80 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 1.38 0.70 0.91 0.00 0.00 135 K 8.08 4.21 0.00 1.74 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.37 7.81 136 Q 9.27 4.19 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 137 A 9.23 4.19 1.34 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 0.00 0.00 138 V 8.02 3.58 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 0.76 0.00 0.00 0.93 0.00 0.00 139 Q 8.18 4.29 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 140 R 7.80 4.21 0.00 1.92 1.89 0.00 3.26 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 141 V 7.99 4.17 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 0.93 0.00 0.00 142 M 8.27 4.23 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 143 E 9.54 4.59 0.00 2.07 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 2.25 2.19 0.00 144 S 8.62 5.02 0.00 3.53 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 0.00 145 G 7.69 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 0.00 0.00 0.00 146 A 8.52 3.51 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 0.00 147 K 8.15 4.47 0.00 1.49 1.79 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.25 7.81 148 G 7.63 4.85 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 0.00 149 A 8.33 5.24 1.20 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 0.00 0.00 0.00 0.00 0.00 150 K 8.31 4.53 0.00 1.35 1.63 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.18 1.17 7.81 151 V 8.48 4.93 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 0.00 152 I 9.30 4.91 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 1.09 0.68 0.91 0.00 0.00 153 V 8.37 4.84 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 0.66 0.00 0.00 0.93 0.00 0.00 154 S 8.90 4.81 0.00 3.39 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 0.00 155 G 8.66 4.60 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 0.00 156 R 8.83 3.87 0.00 1.93 2.03 0.00 3.27 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 157 I 6.92 3.84 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 1.23 1.10 0.91 0.00 0.00 158 G 8.66 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 0.00 0.00 0.00 159 G 8.92 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.00 4.10 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 0.00 161 E 8.81 4.12 0.00 2.00 1.88 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 2.23 1.87 0.00 162 Q 7.78 4.47 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 163 A 8.62 4.23 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 0.00 164 R 8.25 4.57 0.00 1.74 1.86 0.00 3.24 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 165 T 8.18 5.61 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 0.00 166 E 9.15 4.74 0.00 1.65 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 2.14 2.09 0.00 *167 W 8.87 4.37 0.00 2.25 1.74 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 0.00 168 A 9.51 3.79 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 0.00 169 A 7.69 4.59 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 0.00 170 Q 7.72 4.62 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 171 G 8.42 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 0.00 0.00 0.00 172 R 8.06 4.48 0.00 1.77 1.80 0.00 3.23 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 173 V 8.08 4.51 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 0.88 0.00 0.00 0.93 0.00 0.00 174 P 0.00 4.73 0.00 1.98 1.99 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 175 L 8.31 4.23 0.00 1.66 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *176 H 8.13 4.46 0.00 2.92 3.00 0.00 7.17 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.62 4.21 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 0.00 178 L 8.23 4.77 0.00 1.66 1.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.93 4.70 0.00 1.77 1.78 0.00 3.27 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 1.42 1.15 0.00 180 A 8.23 3.98 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 0.00 181 N 8.29 4.09 0.00 2.85 2.89 0.00 0.00 6.84 7.59 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 0.00 182 I 7.50 4.79 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 1.20 1.19 0.91 0.00 0.00 183 D 9.31 4.72 0.00 2.33 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.02 5.18 0.00 2.04 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 0.00 0.00 0.00 185 G 8.11 4.13 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 0.00 0.00 0.00 *186 F 8.83 5.47 0.00 2.02 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 0.00 0.00 0.00 187 A 9.60 4.78 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 0.00 188 L 8.54 4.68 0.00 1.44 1.45 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 189 A 9.06 4.57 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 0.00 190 R 8.63 4.44 0.00 1.61 1.73 0.00 3.31 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 191 T 8.25 4.33 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 0.00 192 T 8.85 3.99 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 Y 9.30 4.53 0.00 2.30 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 0.00 0.00 0.00 0.00 194 G 6.69 3.81 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 0.00 195 V 8.05 4.87 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 0.75 0.00 0.00 0.93 0.00 0.00 196 L 8.99 4.78 0.00 1.25 1.52 0.92 0.57 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 0.00 197 G 8.79 4.34 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 0.00 0.00 0.00 198 V 9.44 4.98 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 0.93 0.00 0.00 199 K 9.38 5.18 0.00 1.35 1.67 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.23 7.81 200 A 9.05 5.09 1.20 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 0.00 0.00 0.00 0.00 0.00 *201 Y 9.01 4.91 0.00 1.98 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 0.00 202 I 8.97 4.80 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 1.09 0.65 0.91 0.00 0.00 *203 F 9.60 4.98 0.00 1.89 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 0.00 0.00 0.00 0.00 204 L 8.06 4.71 0.00 1.51 1.45 0.92 0.89 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 0.00 205 G 9.33 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 0.00 206 E 9.05 4.60 0.00 1.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 207 V 8.55 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 0.86 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.