NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1734 8.2644 123.5882 52.5645 20.6328 177.5435 *2 T 4.3135 7.7799 108.1232 61.3825 68.8431 173.1777 3 S 4.8087 7.6403 113.7562 55.5438 67.5261 174.5177 4 L 4.1400 8.4710 122.1569 57.9609 41.3910 179.3842 5 E 3.9706 8.1915 118.8379 59.3060 29.6657 178.5868 6 E 4.0060 8.2430 118.6347 59.4343 29.4496 179.3678 7 I 3.7491 7.8968 119.7930 64.7188 36.9702 178.5427 8 T 3.9248 8.1325 115.6526 66.6941 68.3734 176.4450 9 K 4.0973 8.0046 118.8941 59.3438 32.1312 178.9598 10 A 4.2149 7.7900 119.9727 55.0475 18.5494 180.7776 11 I 2.6977 7.1770 115.9536 61.5493 36.8889 177.8633 *13 A 4.3286 7.9780 123.5898 51.7222 20.4948 177.6550 14 D 4.5954 7.8875 116.8710 54.0003 41.9498 177.4246 15 S 4.1957 8.8461 120.8999 60.9482 63.2972 175.9667 16 Q 4.0571 8.4161 121.9808 58.5413 28.9021 176.7409 17 N 5.1083 8.4832 113.9522 52.5752 39.5284 176.2555 18 K 3.9254 8.0295 121.4672 60.2531 31.8440 179.1514 19 V 3.7332 7.4968 120.0858 65.1147 31.3994 177.9433 20 F 4.0299 7.6376 116.9144 60.9405 38.9187 177.6641 21 T 4.0332 8.3930 115.9898 66.4677 67.8032 175.9648 22 E 4.3081 8.4852 117.9715 57.5647 29.5223 177.9418 23 K 4.4554 7.1192 118.2392 55.5670 32.6257 175.3732 24 N 4.1336 8.0489 115.7006 54.9798 37.6025 174.4454 25 I 4.4591 7.9969 117.7890 59.4851 38.6912 175.9486 26 E 4.5722 8.5392 125.2812 54.1370 30.7731 174.6943 27 P 3.1729 0.0000 0.0000 62.5354 31.8674 175.3226 28 L 4.4896 8.1277 124.2433 53.3588 43.0382 175.3793 29 F 5.0916 7.8584 119.7908 55.4571 41.0253 173.5561 30 A 4.5970 9.4268 122.9793 49.6450 20.8438 176.7263 31 A 4.7669 8.0328 126.9576 50.7682 19.3406 174.4437 32 P 4.4104 0.0000 0.0000 62.0150 32.4441 178.5347 33 K 4.0062 8.6318 121.2020 59.5902 32.6588 177.7509 34 T 4.1378 7.8342 107.7537 62.1683 69.2049 174.6194 35 A 4.2505 8.0859 126.8511 52.8653 19.0190 177.4103 36 R 5.1005 8.8414 120.2429 55.2275 33.3968 175.8744 37 I 4.8872 7.3510 119.5539 59.2698 40.8373 173.7193 38 N 5.2741 9.0554 126.2941 52.1214 41.0256 173.3604 39 I 4.7991 9.0366 128.0697 59.9831 39.3696 174.9185 40 V 4.2620 9.2048 129.0563 61.5737 32.5594 174.0179 41 G 4.4496 8.5235 122.0514 45.1696 0.0000 171.1255 42 Q 4.1321 8.3371 119.6778 55.8459 29.9009 176.0391 43 A 4.7676 7.1783 118.8070 51.1836 22.1038 174.2357 44 P 4.5268 0.0000 0.0000 62.6846 32.3773 177.0177 45 G 4.1899 8.0384 106.4790 43.6937 0.0000 174.0238 46 I 3.1869 7.0813 118.1522 63.6697 37.7281 178.6212 47 K 3.8607 7.6381 118.8343 59.2647 32.0553 179.0672 48 A 3.8605 7.6905 120.6067 54.9729 18.0997 178.9529 49 Q 3.7864 7.9357 117.6451 59.4910 29.0441 178.2810 50 E 4.0985 7.6931 119.0073 58.8901 29.9179 178.3282 51 S 4.1686 8.1326 113.1315 58.8342 63.3177 174.5181 52 R 3.7016 7.7995 119.7763 56.8001 27.9000 175.7706 53 L 4.7148 7.3149 115.9225 53.1901 45.3346 176.0753 54 Y 4.4463 8.4761 119.7291 57.7537 39.6023 175.7901 55 W 3.8514 8.2993 119.9561 57.9931 27.2124 174.9571 56 N 4.9645 7.7602 117.5170 50.4947 36.9253 172.2023 57 D 4.6005 7.2610 119.5023 51.4799 42.7851 177.0963 58 K 3.9341 8.5980 117.7840 59.6546 31.7740 179.4786 59 S 4.3620 8.2162 115.1295 61.8220 62.7679 176.9718 60 G 4.2096 8.9655 109.9362 47.3482 0.0000 175.3871 61 D 4.3111 8.2986 121.4255 57.3690 40.7705 179.1869 62 R 3.6639 7.8777 118.4409 58.9123 29.7439 178.8999 63 L 3.1616 7.1643 119.1807 57.8402 42.2458 178.9111 64 R 3.6896 7.6907 118.2988 58.9024 29.6900 178.5043 65 E 3.9393 7.7220 118.0907 59.0974 29.6555 179.6270 66 W 4.4928 7.9046 114.5318 57.4985 29.1886 176.6567 *68 G 3.8804 7.8887 106.0393 45.4457 0.0000 173.5420 69 V 4.4923 7.5464 112.0728 58.6981 34.7365 176.3026 70 D 4.7479 8.3430 123.2249 52.4237 42.0212 176.9311 71 Y 4.0518 8.5400 119.5139 61.0158 38.6431 177.2343 72 D 4.5059 8.4853 118.2790 58.0574 41.2948 178.4010 73 T 3.9369 8.6548 116.3026 66.4558 68.1952 176.5139 74 F 3.4696 8.0132 121.6805 61.3177 39.2005 176.3639 75 Y 4.0809 7.6833 115.6180 59.3792 38.1722 176.4849 76 H 5.0414 8.2918 114.7114 55.1891 30.8691 175.8559 77 S 3.7715 8.0228 114.6844 59.4170 62.8738 175.7526 78 G 3.7722 7.4994 105.3417 45.2927 0.0000 173.1539 79 Y 4.6210 7.7915 116.7586 58.4018 39.1851 174.8657 80 F 5.1845 8.0941 118.2405 55.5342 41.0722 174.9493 81 A 4.8702 9.0938 125.8754 50.5833 21.8496 176.2770 82 V 4.7381 8.9735 119.6351 61.6457 34.5402 174.1849 83 I 4.7082 8.5769 129.5014 58.5414 37.8759 174.3346 84 P 4.8295 0.0000 0.0000 62.4812 30.1298 180.0077 *86 D 3.6153 8.8960 114.9443 53.9085 41.8768 174.5288 87 F 5.1599 7.0843 122.5853 57.9272 39.5117 174.7677 88 Y 4.7407 7.3646 117.9008 55.5339 40.8363 174.7389 89 Y 4.9182 8.3974 122.9869 57.1024 38.9544 174.7404 90 P 4.1679 0.0000 0.0000 62.6553 32.0495 176.0504 91 G 3.3138 5.4349 105.2595 43.8278 0.0000 172.8877 92 K 4.3917 8.3293 120.6669 55.4404 31.5075 176.6172 93 G 4.1186 9.0217 116.7842 43.3407 0.0000 173.8465 94 K 4.1298 8.6859 117.8545 59.0779 32.5396 177.7645 95 S 4.7306 7.5238 109.7703 59.2926 65.6599 174.0569 96 G 3.8856 7.1352 112.9917 44.8516 0.0000 173.3945 97 D 5.1251 8.7146 124.9510 53.5473 41.5284 175.5225 98 L 4.3207 8.8135 122.7853 54.1701 42.5195 175.1566 99 P 4.4266 0.0000 0.0000 61.2844 32.4659 174.4152 100 P 4.1092 0.0000 0.0000 62.6681 31.6157 176.4775 101 R 3.9959 8.7868 120.7800 55.8133 30.5692 176.6534 102 K 4.0092 8.4212 122.3003 57.9759 31.1547 177.5804 103 G 3.9691 8.9025 111.1553 46.6587 0.0000 175.3268 104 F 3.9518 8.0814 121.7674 61.2915 39.4345 176.8271 105 A 3.5800 7.8290 119.8986 55.2220 17.5590 179.3230 106 Q 4.2113 7.2385 116.6671 58.2996 28.4481 179.5798 107 K 3.3036 7.1409 118.6868 58.2976 31.7372 178.5521 108 W 4.9416 7.1943 116.2853 56.8756 31.0604 177.6258 109 H 4.3911 8.2469 116.7105 58.9818 28.1486 177.3499 110 Q 4.0994 8.2168 120.7868 58.9556 28.7318 176.4505 111 P 4.3231 0.0000 0.0000 65.4573 31.5648 178.5101 112 I 3.9011 7.5869 117.8117 64.5001 37.0594 178.4257 113 L 4.0370 8.4202 120.1527 57.8871 41.2244 179.0604 114 D 4.5666 8.4618 117.7550 55.9874 40.6888 176.9431 115 L 4.7084 7.7584 118.5445 54.3251 42.2321 177.1425 116 L 4.7761 7.8218 120.9167 52.2775 41.4635 175.3115 117 P 4.4750 0.0000 0.0000 64.4576 32.4520 177.7759 118 D 4.7082 7.8848 118.2441 53.9204 41.1504 175.8211 119 I 4.0732 7.2588 120.5147 61.8692 37.2006 175.7104 120 Q 4.5403 8.8459 124.2773 56.1724 30.8972 175.9034 121 L 4.5923 7.6043 120.3285 53.7842 46.0655 174.3622 122 T 5.0048 8.9135 122.8302 61.9138 71.4543 173.0219 123 I 4.7461 9.0009 128.6449 60.2861 39.0247 174.9884 124 L 4.9185 9.2071 128.5186 53.4299 42.9663 175.7470 125 I 4.5479 9.0590 126.8494 62.1421 38.1876 176.8949 126 G 4.0461 8.8261 113.4752 44.9244 0.0000 173.3816 127 N 4.2129 8.6383 115.0538 56.5364 38.3229 177.3237 128 Y 4.0491 7.7621 117.2559 60.9773 38.0483 178.4782 129 A 4.2220 8.1634 121.1168 55.3203 18.5570 179.5431 130 Q 3.8965 8.0432 116.2185 59.2359 28.8616 179.1673 131 K 3.8813 8.3422 119.7782 59.6541 31.8652 178.6565 132 Y 3.8874 7.8928 119.5476 60.9529 38.6346 177.3950 133 Y 3.7007 8.0918 116.9884 60.2752 38.1778 176.8933 134 L 4.1661 7.9992 117.7818 53.9856 42.3785 176.0637 135 H 3.8807 7.1984 114.9703 57.0914 26.5547 174.5284 136 Q 4.6896 7.8374 116.3178 53.6090 31.5307 176.9521 137 K 4.2222 8.3215 120.8499 56.2338 32.7410 178.3782 138 S 4.2257 8.4731 115.5274 60.8647 63.1249 175.4684 139 S 4.3116 7.9101 114.1182 59.3177 63.3894 174.6114 140 V 3.7347 7.4526 122.0936 62.7613 32.0606 175.7210 141 K 4.3762 8.4844 126.0991 55.1575 33.8381 177.3753 142 L 3.9296 8.6324 125.9600 58.9700 41.9582 179.4374 143 T 4.2599 8.0144 114.8011 66.8015 68.5869 176.2192 144 D 4.4037 8.2293 120.3862 57.6898 40.6771 178.8719 145 T 4.0053 7.7080 115.0151 66.7579 68.8796 176.7009 146 V 4.0436 8.1914 119.9876 66.0363 31.4016 177.9301 147 A 3.7593 8.4274 120.0268 53.9025 18.9228 177.4820 148 H 4.8160 7.8744 113.4528 54.4712 29.0971 175.9228 149 Y 4.4169 8.0138 119.7275 61.1782 38.1050 179.0295 150 K 3.6686 6.8285 119.1662 58.5369 32.3160 178.6857 151 K 3.5424 7.4361 119.5516 58.7317 32.1341 176.7203 152 Y 4.7756 7.5630 114.3900 57.7822 38.9873 175.7906 153 L 4.6013 7.3771 120.4611 53.7543 42.2567 175.5088 154 P 4.5063 0.0000 0.0000 64.9592 32.0829 177.3070 155 D 4.3429 8.0971 119.5140 56.7134 41.7630 175.8756 156 Y 5.4161 8.1471 114.0462 56.0965 41.9548 175.6013 157 F 4.9588 9.4751 124.8555 55.7930 42.1984 171.8879 158 P 5.2043 0.0000 0.0000 62.7647 32.3291 175.5405 159 L 5.1840 9.1524 122.0457 53.1397 46.4122 176.2414 160 V 4.1454 7.8757 113.6091 60.3854 32.9949 176.0459 161 H 4.4636 8.5472 119.6852 55.4871 29.1248 174.4197 162 P 4.4531 0.0000 0.0000 62.8091 31.3993 176.7337 163 S 4.5163 7.9327 112.7553 58.2879 64.5541 173.1612 164 P 4.2993 0.0000 0.0000 65.7607 30.8448 179.0126 165 R 4.0289 7.9925 116.1616 58.9391 30.0147 177.1909 166 N 4.7672 8.0608 114.7433 53.9317 38.4837 176.8354 167 Q 4.2218 7.9714 120.7492 59.1500 29.1039 178.3782 168 I 3.9747 7.8083 120.3847 63.8150 37.0628 178.7680 169 W 3.9627 7.7937 126.6049 57.9060 30.0500 177.6185 *171 S 4.3456 8.1010 114.4647 58.0362 64.0387 175.2792 172 R 4.0280 7.5654 116.8841 57.6231 30.8339 176.2759 173 H 4.3769 7.1558 115.1013 52.5096 29.0460 172.5566 174 P 4.1913 0.0000 0.0000 64.9390 31.6235 178.4198 175 W 4.3187 7.8972 116.4820 59.2157 27.7603 177.8406 176 F 4.1583 7.4196 121.9767 61.5126 38.6688 177.0432 177 E 3.5603 7.9799 116.1429 58.8026 29.3976 178.5873 178 A 4.2420 7.8390 120.2296 53.7985 18.7839 177.8635 179 Q 4.4005 8.1840 114.1602 57.3856 31.7416 178.1751 180 V 3.3366 7.8248 116.4288 65.9283 31.7111 177.9848 181 V 3.0590 7.1662 118.0986 65.4435 31.3427 176.1399 182 P 4.2046 0.0000 0.0000 65.5763 31.1393 178.0907 183 D 4.3968 7.8855 116.9016 56.9402 41.1113 177.7401 184 L 3.6657 7.9306 121.0648 58.1868 41.9019 179.1384 185 K 3.8847 7.9735 118.0530 59.3389 32.1189 179.1340 186 K 3.9196 7.9242 119.3872 59.6556 32.1305 178.9325 187 I 3.9291 7.9551 119.9798 64.4986 36.9870 178.5054 188 I 3.6855 7.9431 120.7834 64.4143 36.9338 178.2462 189 Q 3.9690 8.2797 120.4308 59.2673 28.6210 178.4121 190 Q 3.9798 7.7730 117.8524 58.9204 29.1699 178.5436 191 I 3.7449 7.6873 120.7529 64.5353 36.9604 178.6598 192 I 3.2675 7.7038 119.5080 63.9401 36.9764 177.7850 193 Q 4.2562 7.8120 116.8228 55.7729 29.0929 176.4251 194 S 4.1791 6.6863 114.5478 58.5107 63.8834 174.2918 195 S 4.4833 8.5997 114.5416 58.5869 62.6339 168.9676 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 0 A 8.26 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 T 7.78 4.31 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 3 S 7.64 4.81 0.00 4.05 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 4 L 8.47 4.14 0.00 1.78 1.93 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.19 3.97 0.00 2.01 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 2.39 2.35 0.00 6 E 8.24 4.01 0.00 2.28 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 2.36 2.38 0.00 7 I 7.90 3.75 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.89 0.91 0.00 0.00 8 T 8.13 3.92 4.41 0.00 0.00 0.00 0.00 0.00 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 9 K 8.00 4.10 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.66 7.81 10 A 7.79 4.21 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 11 I 7.18 2.70 1.76 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 -0.30 -0.08 0.97 0.00 0.00 *13 A 7.98 4.33 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 14 D 7.89 4.60 0.00 3.13 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 15 S 8.85 4.20 0.00 4.07 4.15 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 16 Q 8.42 4.06 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.16 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 17 N 8.48 5.11 0.00 2.81 2.57 0.00 0.00 6.62 7.53 0.00 0.00 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 K 8.03 3.93 0.00 1.99 2.17 0.00 1.31 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 19 V 7.50 3.73 1.56 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 0.94 0.00 0.00 0.77 0.00 0.00 20 F 7.64 4.03 0.00 3.09 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.39 4.03 4.30 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 1.27 0.00 0.00 22 E 8.49 4.31 0.00 2.20 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 2.57 2.32 0.00 23 K 7.12 4.46 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 24 N 8.05 4.13 0.00 2.85 2.88 0.00 0.00 6.92 7.75 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 25 I 8.00 4.46 2.37 0.00 0.00 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 1.43 1.08 1.21 0.00 0.00 26 E 8.54 4.57 0.00 1.89 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 2.29 2.30 0.00 27 P 0.00 3.17 0.00 2.41 2.01 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 28 L 8.13 4.49 0.00 1.38 1.55 0.66 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.86 5.09 0.00 2.45 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.43 4.60 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.03 4.77 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.41 0.00 2.21 2.18 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 33 K 8.63 4.01 0.00 1.90 2.01 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.44 7.81 34 T 7.83 4.14 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 35 A 8.09 4.25 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 36 R 8.84 5.10 0.00 1.41 1.73 0.00 2.27 0.00 0.00 3.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 37 I 7.35 4.89 1.40 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.45 1.01 0.00 0.00 38 N 9.06 5.27 0.00 2.84 2.67 0.00 0.00 6.69 7.47 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 39 I 9.04 4.80 2.07 0.00 0.00 1.00 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 1.07 1.02 0.00 0.00 40 V 9.20 4.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 49 Q 7.94 3.79 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 50 E 7.69 4.10 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 51 S 8.13 4.17 0.00 3.96 3.95 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 52 R 7.80 3.70 0.00 1.86 1.89 0.00 3.27 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 53 L 7.31 4.71 0.00 1.42 1.51 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.48 4.45 0.00 3.25 2.61 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 55 W 8.30 3.85 0.00 3.61 3.04 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 56 N 7.76 4.96 0.00 2.70 2.77 0.00 0.00 6.97 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.26 4.60 0.00 2.90 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0.00 3.47 3.63 0.00 5.64 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 0.00 110 Q 8.22 4.10 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 111 P 0.00 4.32 0.00 2.19 2.20 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 112 I 7.59 3.90 2.02 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.85 0.00 0.00 113 L 8.42 4.04 0.00 1.88 1.81 1.14 1.02 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 0.00 114 D 8.46 4.57 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.76 4.71 0.00 1.79 1.70 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.82 4.78 0.00 1.80 1.57 0.97 0.99 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 0.00 117 P 0.00 4.48 0.00 2.18 2.19 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 2.00 2.00 0.00 118 D 7.88 4.71 0.00 2.89 2.68 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 0.00 119 I 7.26 4.07 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.86 0.00 0.00 120 Q 8.85 4.54 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 121 L 7.60 4.59 0.00 1.72 1.42 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.91 5.00 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 1.24 0.00 0.00 123 I 9.00 4.75 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 1.03 0.00 0.00 124 L 9.21 4.92 0.00 1.68 1.71 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 I 9.06 4.55 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.80 0.00 0.00 126 G 8.83 4.05 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 0.00 0.00 0.00 127 N 8.64 4.21 0.00 2.39 2.55 0.00 0.00 6.82 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.76 4.05 0.00 3.06 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 0.00 129 A 8.16 4.22 1.57 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 0.00 0.00 130 Q 8.04 3.90 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 131 K 8.34 3.88 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.76 7.81 132 Y 7.89 3.89 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.09 3.70 0.00 3.06 2.39 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 0.00 134 L 8.00 4.17 0.00 1.54 1.48 0.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.20 3.88 0.00 3.22 3.28 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.84 4.69 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 137 K 8.32 4.22 0.00 1.82 1.73 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 138 S 8.47 4.23 0.00 3.94 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 0.00 139 S 7.91 4.31 0.00 4.01 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 0.00 140 V 7.45 3.73 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 0.83 0.00 0.00 1.00 0.00 0.00 141 K 8.48 4.38 0.00 2.05 1.78 0.00 2.02 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 142 L 8.63 3.93 0.00 1.94 1.66 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.01 4.26 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 144 D 8.23 4.40 0.00 2.93 2.78 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 0.00 145 T 7.71 4.01 4.54 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 0.00 0.00 1.18 0.00 0.00 146 V 8.19 4.04 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 1.08 0.00 0.00 147 A 8.43 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 7.87 4.82 0.00 3.17 3.37 0.00 5.48 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.01 4.42 0.00 2.91 3.47 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 0.00 150 K 6.83 3.67 0.00 1.40 1.61 0.00 1.35 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 0.21 7.81 151 K 7.44 3.54 0.00 1.26 0.92 0.00 1.33 0.00 0.00 1.23 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.79 1.09 7.81 152 Y 7.56 4.78 0.00 3.36 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 0.00 153 L 7.38 4.60 0.00 1.72 1.61 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.51 0.00 2.16 2.17 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 155 D 8.10 4.34 0.00 2.34 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 0.00 0.00 0.00 156 Y 8.15 5.42 0.00 3.03 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 0.00 157 F 9.48 4.96 0.00 3.22 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 0.00 158 P 0.00 5.20 0.00 2.25 2.05 0.00 3.93 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 159 L 9.15 5.18 0.00 1.73 1.80 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.88 4.15 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 -0.54 0.00 0.00 0.02 0.00 0.00 161 H 8.55 4.46 0.00 3.17 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.45 0.00 1.71 0.51 0.00 3.98 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 2.04 1.40 0.00 163 S 7.93 4.52 0.00 4.04 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 0.00 164 P 0.00 4.30 0.00 2.20 2.16 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 165 R 7.99 4.03 0.00 1.82 1.99 0.00 3.25 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 166 N 8.06 4.77 0.00 3.03 2.89 0.00 0.00 6.85 7.78 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 0.00 167 Q 7.97 4.22 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 168 I 7.81 3.97 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 0.95 0.00 0.00 169 W 7.79 3.96 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *171 S 8.10 4.35 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 7.57 4.03 0.00 1.45 1.70 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 173 H 7.16 4.38 0.00 1.40 1.31 0.00 5.82 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 0.00 174 P 0.00 4.19 0.00 2.24 2.25 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 175 W 7.90 4.32 0.00 3.62 3.39 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 0.00 176 F 7.42 4.16 0.00 2.43 2.85 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 0.00 177 E 7.98 3.56 0.00 1.93 1.93 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 2.27 2.43 0.00 178 A 7.84 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.18 4.40 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 180 V 7.82 3.34 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 0.86 0.00 0.00 1.45 0.00 0.00 181 V 7.17 3.06 1.52 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 0.75 0.00 0.00 -0.65 0.00 0.00 182 P 0.00 4.20 0.00 2.18 2.06 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 183 D 7.89 4.40 0.00 3.06 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 0.00 184 L 7.93 3.67 0.00 0.99 1.54 0.06 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 185 K 7.97 3.88 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.64 7.81 186 K 7.92 3.92 0.00 1.89 2.05 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 187 I 7.96 3.93 1.99 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.64 0.99 0.00 0.00 188 I 7.94 3.69 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 1.02 0.00 0.00 189 Q 8.28 3.97 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 190 Q 7.77 3.98 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 191 I 7.69 3.74 1.89 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 1.66 1.18 0.70 0.00 0.00 192 I 7.70 3.27 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.27 0.95 0.00 0.00 193 Q 7.81 4.26 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 194 S 6.69 4.18 0.00 3.95 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 0.00 195 S 8.60 4.48 0.00 3.85 4.20 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 * Residues marked with a * may have inaccurate shift predictions.