NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1684 8.1733 121.9882 56.3764 33.7269 174.1663 3 V 4.5869 8.5026 121.7845 58.5947 35.0502 170.0417 4 V 4.8983 9.0566 123.2297 61.5480 35.1209 173.0397 5 Y 5.2454 9.3341 130.4607 55.8785 40.5271 175.4950 6 D 4.6888 8.9374 125.2186 53.4548 39.7075 176.0926 7 D 4.4206 6.1976 120.3769 51.5635 41.5185 176.0008 8 V 3.2830 7.9298 126.6426 63.9968 31.4777 178.6000 9 R 3.8279 7.6999 118.8769 58.9540 30.0219 178.5982 10 V 3.5226 7.1209 117.7833 66.1983 31.6577 177.9863 11 L 4.0659 7.9065 119.2436 57.7394 41.9454 178.6958 12 K 3.9079 8.2959 120.3647 59.5263 31.8246 178.5899 13 D 4.3113 8.5046 119.6211 57.3623 40.6742 178.6857 14 I 3.6682 7.6466 120.1192 64.6036 37.1434 178.6214 15 I 3.7819 7.7192 119.9792 64.1712 36.6497 178.3385 16 Q 3.9015 7.8307 119.8316 59.0655 29.0655 178.1462 17 A 4.2841 7.5092 121.6089 54.5778 18.5105 178.9706 18 L 3.8524 7.9209 118.7579 58.6782 41.8810 179.0960 19 A 4.5427 8.1865 119.8256 53.7054 18.3973 178.8107 20 R 4.2443 7.9734 115.5272 57.1798 30.7032 178.4396 21 L 4.4212 7.6679 119.1767 55.8612 42.1829 176.6977 22 V 4.5655 7.1175 115.2931 59.6794 34.8247 175.3040 23 D 4.5120 8.7037 120.8375 56.9542 41.0261 176.3304 24 E 5.0291 7.7441 115.1517 54.5887 33.7221 174.7044 25 A 4.5947 7.6474 122.6731 50.4130 23.8295 175.1120 26 V 4.4894 7.8060 117.0477 60.0870 34.5677 175.0974 27 L 4.7558 9.2744 127.0213 53.3100 42.3135 176.2169 28 K 4.5582 9.5156 126.1285 56.1837 33.0472 176.9927 29 F 4.8398 10.1109 127.5550 56.7908 38.6374 175.8734 30 K 4.7345 8.7633 124.1430 54.6506 34.2479 177.8463 31 Q 4.1743 9.0100 120.2022 59.0891 28.7290 177.7262 32 D 4.8421 7.9714 113.3121 52.8089 41.4950 175.2158 33 S 4.9534 7.9523 113.2638 57.4034 66.6431 172.7822 34 V 4.7150 9.0950 126.5762 61.5996 33.1075 174.3403 35 E 5.2394 9.3226 127.2595 54.5830 33.2820 175.2319 36 L 4.8035 8.8843 125.2031 53.3507 44.9700 174.4006 37 V 4.9044 8.3887 126.2056 61.0231 33.5460 174.7234 38 A 4.7049 8.8188 128.6853 50.6188 22.6689 175.2690 39 L 4.8927 8.5744 122.3426 53.9798 43.4204 176.9129 40 D 4.8924 8.1451 121.3190 52.2935 41.6558 177.0965 41 R 3.8171 8.2127 117.4336 59.1248 28.9525 177.8173 42 A 4.6242 8.6048 118.0782 51.2406 19.3297 176.0003 43 H 4.2886 7.4753 112.4857 57.8968 27.0311 175.4161 44 I 4.4250 7.3012 117.8013 61.2559 38.3516 175.4738 45 S 5.3901 8.6817 116.7685 57.9790 67.0360 173.0220 46 L 4.9246 7.9611 121.3575 53.6221 45.7397 174.0391 47 I 5.0553 9.0527 126.8224 59.4541 40.6309 174.1409 48 S 5.0996 9.3458 126.0777 57.0046 65.5328 172.9485 49 V 4.6732 8.9942 126.1094 61.1682 33.7267 174.2856 50 N 5.3604 9.1393 125.7027 52.2050 42.3877 172.9095 51 L 4.9295 9.1491 127.3026 52.0321 44.2536 174.5883 52 P 4.8694 0.0000 0.0000 62.2877 32.2244 177.8246 53 R 3.4202 8.1624 118.5467 57.9735 29.7068 178.8525 54 E 4.1451 7.3333 119.8119 56.0453 28.5574 176.7316 *56 F 4.6851 7.9245 116.0491 57.2317 40.3885 175.4677 57 K 4.2871 9.6309 125.4797 59.3791 32.3152 177.0737 58 E 4.7514 8.3693 118.7943 54.8372 32.5851 174.6594 59 Y 4.7027 8.4289 123.7139 55.8427 38.9941 173.5809 60 D 4.6803 8.4632 124.6368 51.7363 39.9570 173.5680 61 V 4.1179 7.6262 118.1362 60.8033 33.6644 174.3266 62 N 4.6341 8.8366 124.3969 54.8222 39.4867 174.8549 63 D 4.9457 7.6110 115.9334 51.7480 43.3949 175.2483 64 E 4.3266 8.7828 125.1216 57.1360 30.2159 175.6456 65 F 4.7065 9.6976 129.0089 56.5551 42.2425 174.4567 66 K 4.5773 7.8818 126.4029 55.1137 31.3079 174.8656 67 F 5.2597 9.6865 125.9146 57.8427 39.2822 173.2392 68 G 4.5090 9.7281 113.0890 44.4859 0.0000 170.1489 69 F 5.2228 7.9260 117.4964 55.0552 42.2194 173.2333 70 N 4.8320 8.9642 119.1534 53.2049 39.1042 175.5285 71 T 4.2853 8.9183 118.4422 65.4083 68.3927 176.0313 72 Q 3.9913 8.0664 120.7641 58.8894 29.5756 177.1821 73 Y 4.2818 8.0274 120.1194 60.3867 39.1606 178.8595 74 L 3.9133 7.9397 120.6812 55.0754 40.7297 178.6856 *76 K 4.1679 8.1511 118.8366 55.6137 33.9440 177.7698 77 I 3.4658 6.8088 110.4778 62.1771 37.8759 177.4904 78 L 4.1146 7.4669 120.9797 57.0920 41.4649 178.4452 79 K 4.2280 7.2057 116.0689 57.8561 32.0262 178.5697 80 V 3.5854 7.7508 112.3520 63.1967 31.7815 175.6600 81 A 4.5551 7.6093 122.7196 50.3523 19.1176 176.2326 82 K 4.1767 8.4786 122.0677 59.1981 33.7615 177.5788 83 R 4.2533 7.5554 117.2558 55.1061 31.5692 176.8363 84 K 4.1488 8.1489 119.4085 55.6861 30.3833 175.4402 85 E 4.6429 7.8425 123.0056 54.3924 33.0793 174.0751 86 A 4.7454 8.1210 122.5558 50.5533 21.3103 176.1260 87 I 4.6521 8.4687 122.4454 59.8872 40.4322 174.4753 88 E 4.9516 9.2996 128.6169 54.8090 32.5789 174.2263 89 I 4.6807 8.9084 129.6548 59.6576 38.9014 174.9668 90 A 4.7193 8.7220 128.9700 50.2164 22.6986 174.6614 91 S 4.3806 7.8895 112.4409 57.9477 64.8744 173.4196 92 E 4.3441 8.9792 126.8082 57.9984 30.9971 176.2623 93 S 4.4779 7.6805 113.5318 57.0660 64.0407 173.0647 94 P 4.8847 0.0000 0.0000 64.2774 31.3326 176.2188 95 D 4.8330 8.0678 118.1897 53.4537 40.5141 175.4324 96 S 5.1450 8.1324 114.4769 56.6762 65.4449 172.9757 97 V 4.3965 9.5216 127.3053 61.0884 34.3303 173.9762 98 I 4.8270 9.0884 129.8223 59.8513 39.2121 174.4568 99 I 4.9215 9.5836 129.7084 59.5637 39.5984 174.4815 100 N 5.5555 9.7375 125.5129 51.7331 41.0394 174.2447 101 I 4.7115 9.0370 126.6078 59.6006 36.8846 173.6006 102 I 4.0100 8.6450 120.0882 60.6740 38.6445 175.5304 103 G 4.6947 8.1210 115.6995 46.2094 0.0000 174.0603 104 S 4.2057 9.0637 114.8534 60.6705 62.5522 174.8527 105 T 4.4094 7.6418 114.4114 59.7735 69.6064 171.8589 106 N 4.8234 8.5559 127.5129 52.5425 39.1319 173.8351 107 R 4.1366 8.3084 125.5260 55.4013 31.4346 175.2413 108 E 4.9767 8.4337 124.9423 54.2738 31.9776 174.8225 109 F 4.7595 9.8666 125.8659 55.8793 42.3431 173.6735 110 N 5.0470 9.1216 123.6472 52.1332 39.0978 172.9547 111 V 4.4206 9.2912 126.7876 60.8761 33.7614 174.6838 112 R 4.4904 8.6213 128.7197 56.2297 30.5497 175.3849 113 N 4.8666 9.2745 126.7237 53.8050 39.9303 174.0515 114 L 4.7555 8.9099 125.6249 53.2348 44.7332 175.6725 115 E 4.4200 8.6531 121.6152 54.9585 30.0221 175.6416 116 V 4.2147 7.9301 123.9122 60.4611 33.3455 175.2693 117 S 4.1457 8.5781 123.3382 59.0557 62.7363 174.7960 118 E 4.3168 8.4368 127.1871 54.8667 27.8425 175.6894 119 Q 4.1702 7.9175 119.8646 55.2206 29.8519 177.0811 120 E 4.0854 8.6832 120.6777 56.8301 30.1263 177.5177 121 I 4.3621 7.4829 116.5173 58.8327 36.8309 174.4978 122 P 4.0779 0.0000 0.0000 65.2030 32.1769 176.0320 123 E 4.6233 7.6668 116.1222 55.4373 33.2945 175.3052 124 I 4.0911 8.2985 116.3774 61.0482 38.4320 175.9810 125 N 4.5449 7.8124 120.0910 53.0088 37.2595 172.7567 126 L 4.5065 7.6257 122.7045 52.0417 45.1322 176.6942 127 Q 3.8999 8.4069 122.7284 55.7812 29.0041 175.4788 128 F 4.7336 8.3717 122.2173 56.2216 40.3298 175.6236 129 D 4.9382 8.7751 125.4477 56.4882 41.9754 176.2119 130 I 4.8479 7.7383 120.1523 59.5349 40.6512 174.7541 131 S 5.0075 9.6288 123.2224 55.4801 63.8153 171.3676 132 A 4.6403 9.1884 129.8007 51.8560 20.4518 176.3839 133 T 4.9398 9.4821 122.5395 62.3979 68.5209 174.2052 134 I 5.0346 8.0866 119.8512 58.2584 41.1200 175.6822 135 S 4.2299 7.9202 116.2324 58.3905 63.5839 175.8683 136 S 4.2430 9.2442 120.1086 61.7488 62.5419 176.7545 137 D 4.5058 8.1752 121.3684 57.3944 40.6478 178.8804 138 G 3.9013 7.9184 105.8706 47.9461 0.0000 175.4194 139 F 4.1731 8.2438 123.4180 60.6927 39.3491 176.8735 140 K 3.8244 8.3947 119.3210 59.7365 31.8993 178.5920 141 S 4.0885 8.5778 115.2953 61.7085 62.8580 176.5143 142 A 4.0023 8.5169 123.5139 55.3387 18.1175 179.8350 143 I 3.4715 7.6541 118.1955 64.7470 37.0299 179.0401 144 S 4.3234 7.9590 114.3669 61.1565 62.2738 176.6076 145 E 4.0670 8.4242 122.0554 59.4937 29.2218 179.3726 146 V 3.6237 7.6743 118.1345 66.1511 31.2161 178.2482 147 S 4.4562 9.0052 116.8143 60.8954 62.3793 175.9030 148 T 4.3222 7.2966 108.6296 62.6222 68.5415 175.3489 149 V 4.3817 7.5908 113.4294 61.7042 33.9155 175.2957 150 T 4.6785 7.5650 112.4913 60.8265 70.6900 172.6913 151 D 4.8781 8.6144 123.0686 53.3601 40.9062 175.3453 152 N 4.7475 8.1755 117.5953 51.8131 39.8935 173.0582 153 V 3.7983 8.7411 122.4212 62.1864 32.4067 174.6926 154 V 4.1924 8.4610 129.3555 62.5313 32.6643 174.6893 155 V 4.6086 9.0157 129.4209 61.2804 33.2725 174.0606 156 E 5.3434 10.0486 129.8127 54.4290 33.1327 174.5937 157 G 4.6720 9.2195 112.7541 45.0415 0.0000 171.1746 158 H 5.0874 8.9896 119.8948 53.3445 33.2752 174.2381 159 E 3.0380 8.4472 116.4460 58.3139 29.8624 177.3066 160 D 4.8402 7.7029 118.0425 53.2780 42.4779 175.9736 161 R 5.1235 7.9006 114.7285 54.1363 32.6078 174.9979 162 I 4.9669 8.9285 122.9024 59.6417 40.1109 174.3938 163 L 5.2337 9.6900 128.1061 53.2429 44.2349 175.7994 164 I 4.7737 8.6197 126.8859 59.7421 38.5994 175.2505 165 K 5.0924 9.1718 126.0572 55.0444 36.4628 174.8896 166 A 4.9584 8.7523 123.0660 49.8822 21.3760 177.2799 167 E 4.6132 8.4385 120.7709 55.9662 31.7055 176.7710 168 G 4.2370 7.6215 116.1428 45.5248 0.0000 175.5082 169 E 3.9934 8.9883 123.7687 58.8036 29.7376 176.5483 170 S 4.5067 7.8265 113.4629 57.4274 63.9563 173.2700 171 E 4.7383 8.6215 124.7929 54.3426 30.3376 175.5461 172 V 4.3778 8.2216 124.5855 61.4445 34.6704 174.7074 173 E 4.6311 8.4682 126.7368 55.5625 31.6655 173.9121 174 V 4.1192 8.7193 128.6138 61.2253 33.3975 173.9307 175 E 4.9621 8.4202 128.6584 54.3780 31.8279 174.8414 176 F 4.8389 9.4179 126.1652 56.2174 40.9586 174.7163 177 S 5.1845 8.4553 119.6356 56.4977 65.4338 176.0105 178 K 4.0159 8.6338 121.2675 59.6768 31.9324 179.6302 179 D 4.2064 7.9699 116.6629 55.8540 38.4713 177.1251 180 T 3.9658 7.9958 113.3587 62.4085 67.6898 175.3887 181 G 4.0150 7.7174 108.1889 46.7682 0.0000 174.8336 182 G 3.8789 7.7511 109.6776 47.2846 0.0000 174.4695 183 L 4.3861 7.5756 123.5223 54.1995 41.4115 175.3861 184 Q 4.2379 8.2664 129.6977 56.6250 28.8069 174.2131 185 D 4.9246 7.7158 116.1719 52.3625 43.8994 174.4455 186 L 5.2635 8.4335 126.7870 53.2527 45.1654 174.7065 187 E 4.8173 8.9563 126.9622 54.3675 32.4344 174.2811 188 F 5.6040 8.7817 127.8623 56.8560 42.3640 174.0353 189 S 4.4139 8.3731 116.7424 58.0097 65.5792 173.6880 190 K 4.2176 6.5358 117.9650 54.6627 34.6317 174.2657 191 E 4.6613 8.6792 125.3498 56.8192 30.2551 176.4726 192 S 4.8692 8.7678 118.8827 56.8019 67.2713 173.2024 193 K 4.8020 10.2689 125.8710 54.5107 33.2238 174.3597 194 N 5.1806 9.1199 124.1377 51.2402 43.2248 172.6225 195 S 5.1929 8.1382 116.9979 56.7480 66.3842 172.3468 196 Y 5.0606 8.7058 118.7807 55.8132 42.7273 174.9508 197 S 4.5537 8.9629 116.3558 58.5746 62.9373 175.0383 198 A 4.1782 8.6324 130.8044 55.0185 17.9461 179.0554 199 E 3.9392 8.1859 116.0247 59.7174 29.5940 178.7889 200 Y 4.4587 7.7946 117.8181 60.0300 38.2969 177.5456 201 L 4.3853 8.1615 119.9453 57.8477 41.4248 178.7198 202 D 4.3315 8.3738 118.0185 57.5129 40.6509 178.2052 203 D 4.2206 7.9481 119.6474 56.9194 40.8627 178.1307 204 V 3.8224 7.7740 117.0080 63.3802 31.6047 177.3481 205 L 4.0769 7.3425 118.9140 58.7673 40.9753 179.3407 206 S 4.0647 8.0273 112.9992 61.0310 62.7190 176.1857 207 L 3.7582 8.2090 123.0797 56.8532 40.9820 178.3799 208 T 4.4479 7.5763 107.6942 62.5013 68.5900 174.6944 209 K 4.5129 7.1529 119.0258 56.4982 32.4043 176.8118 210 L 4.4947 7.5204 120.7166 55.2982 42.9385 176.6499 211 S 4.7959 7.5769 110.4505 56.5088 66.1848 173.5823 212 D 4.4709 8.7895 120.6442 56.7133 41.6284 175.9906 213 Y 5.3010 8.0643 114.0784 55.8500 41.8475 175.6299 214 V 4.1085 8.9285 121.8085 59.7427 34.4102 175.2757 215 K 4.2988 8.8624 128.4454 55.2390 31.2068 173.3718 216 I 4.1533 8.3976 123.8298 60.3658 39.2670 174.3741 217 S 5.6461 9.4367 125.8457 55.9570 66.8155 173.4995 218 F 5.3994 7.2864 117.2921 58.0985 41.1901 172.1064 219 G 4.5854 8.3335 105.1343 46.4169 0.0000 172.7595 220 N 4.7555 9.0838 118.0769 54.2701 38.7727 175.3789 221 Q 3.5513 8.9150 119.9790 56.3575 26.7764 173.2341 222 K 4.7412 7.4870 116.0924 53.7826 34.8831 174.3925 223 P 4.8979 0.0000 0.0000 62.4376 33.0738 175.2026 224 L 4.4915 8.4845 125.1413 54.7147 43.4982 175.2552 225 Q 4.9529 10.0456 127.4911 54.3303 31.9587 173.8159 226 L 4.5091 9.1603 127.7006 53.2087 43.6306 175.2241 227 F 4.8357 8.2086 127.0283 56.4793 41.5068 174.4162 228 F 4.9186 8.7843 126.3565 55.7907 39.5647 174.4546 229 N 4.6154 8.4539 121.7535 52.7695 40.0977 173.8794 *231 E 4.0850 8.5838 122.1294 57.3069 30.7242 175.6147 232 G 3.9929 8.2719 109.2174 44.9862 0.0000 174.0452 233 G 3.9518 8.2066 106.3398 44.9645 0.0000 173.6682 234 G 3.6659 8.1101 108.0983 45.9288 0.0000 173.8342 235 K 4.2912 9.2821 126.4065 54.6677 34.5369 175.0305 236 V 4.7415 7.8852 126.0477 61.2591 33.7339 174.6213 237 T 5.2315 9.0593 124.3298 61.9543 72.4779 172.3778 238 Y 5.4170 9.1972 125.1345 55.8980 42.6087 173.8183 239 L 4.9156 8.9799 128.2370 53.2799 44.7192 174.2231 240 L 4.7514 8.5653 129.1985 52.9432 44.1093 175.5869 241 A 4.7143 8.7161 128.5639 50.7475 19.5149 175.4915 242 P 4.3034 0.0000 0.0000 62.2999 32.4109 176.7175 243 K 4.1179 8.0586 122.0272 56.8141 32.0848 176.6975 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.17 4.17 0.00 1.68 1.62 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.34 7.81 3 V 8.50 4.59 1.67 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 -0.53 0.00 0.00 0.77 0.00 0.00 4 V 9.06 4.90 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 1.04 0.00 0.00 1.00 0.00 0.00 5 Y 9.33 5.25 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.94 4.69 0.00 2.78 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 7 D 6.20 4.42 0.00 2.36 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 0.00 0.00 0.00 8 V 7.93 3.28 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 0.90 0.00 0.00 0.89 0.00 0.00 9 R 7.70 3.83 0.00 1.93 1.95 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 10 V 7.12 3.52 2.29 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 1.11 0.00 0.00 1.00 0.00 0.00 11 L 7.91 4.07 0.00 1.89 1.80 1.17 0.30 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 12 K 8.30 3.91 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 13 D 8.50 4.31 0.00 2.75 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 14 I 7.65 3.67 2.00 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 1.47 0.85 0.92 0.00 0.00 15 I 7.72 3.78 1.82 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 1.63 0.80 0.91 0.00 0.00 16 Q 7.83 3.90 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 17 A 7.51 4.28 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 L 7.92 3.85 0.00 1.97 1.93 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.19 4.54 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.97 4.24 0.00 1.89 1.96 0.00 3.13 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 21 L 7.67 4.42 0.00 1.89 1.80 1.21 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.12 4.57 2.24 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 0.79 0.00 0.00 1.03 0.00 0.00 23 D 8.70 4.51 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.74 5.03 0.00 1.67 1.59 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 2.13 2.23 0.00 25 A 7.65 4.59 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.81 4.49 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 0.79 0.00 0.00 0.97 0.00 0.00 27 L 9.27 4.76 0.00 1.99 1.51 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.52 4.56 0.00 1.78 1.81 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.43 7.81 29 F 10.11 4.84 0.00 3.32 2.96 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 30 K 8.76 4.73 0.00 2.00 1.81 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 31 Q 9.01 4.17 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 32 D 7.97 4.84 0.00 2.65 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 33 S 7.95 4.95 0.00 3.84 3.70 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 34 V 9.10 4.71 2.17 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 0.41 0.00 0.00 1.13 0.00 0.00 35 E 9.32 5.24 0.00 1.88 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 2.33 2.23 0.00 36 L 8.88 4.80 0.00 1.71 1.52 1.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.39 4.90 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 0.87 0.00 0.00 0.95 0.00 0.00 38 A 8.82 4.70 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 39 L 8.57 4.89 0.00 1.58 1.64 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.15 4.89 0.00 3.16 2.99 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 41 R 8.21 3.82 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 42 A 8.60 4.62 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 43 H 7.48 4.29 0.00 3.24 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.30 4.42 1.34 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.79 0.00 0.00 45 S 8.68 5.39 0.00 3.54 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 46 L 7.96 4.92 0.00 1.73 1.47 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 I 9.05 5.06 2.05 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 1.29 1.61 1.05 0.00 0.00 48 S 9.35 5.10 0.00 3.80 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 49 V 8.99 4.67 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 0.94 0.00 0.00 0.95 0.00 0.00 50 N 9.14 5.36 0.00 2.85 2.67 0.00 0.00 6.69 6.21 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 51 L 9.15 4.93 0.00 1.76 1.57 0.98 0.77 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 52 P 0.00 4.87 0.00 2.05 2.00 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 53 R 8.16 3.42 0.00 0.97 0.74 0.00 2.89 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 54 E 7.33 4.15 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 *56 F 7.92 4.69 0.00 3.24 3.53 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 0.00 0.00 0.00 0.00 57 K 9.63 4.29 0.00 1.82 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.51 7.81 58 E 8.37 4.75 0.00 1.93 1.82 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 2.32 2.30 0.00 59 Y 8.43 4.70 0.00 2.91 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 60 D 8.46 4.68 0.00 2.64 2.55 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 0.00 0.00 0.00 0.00 61 V 7.63 4.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 80 V 7.75 3.59 2.17 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 0.81 0.00 0.00 1.15 0.00 0.00 81 A 7.61 4.56 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 82 K 8.48 4.18 0.00 1.85 1.92 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.38 7.81 83 R 7.56 4.25 0.00 1.78 1.92 0.00 3.23 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 84 K 8.15 4.15 0.00 1.66 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.53 7.81 85 E 7.84 4.64 0.00 1.93 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 2.30 2.27 0.00 86 A 8.12 4.75 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 87 I 8.47 4.65 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 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4.21 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.64 4.41 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 1.20 0.00 0.00 106 N 8.56 4.82 0.00 2.75 2.72 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.31 4.14 0.00 1.91 1.68 0.00 3.17 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 108 E 8.43 4.98 0.00 1.86 1.68 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 2.15 2.38 0.00 109 F 9.87 4.76 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.12 5.05 0.00 2.74 2.79 0.00 0.00 7.09 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 0.00 111 V 9.29 4.42 2.36 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 1.13 0.00 0.00 1.25 0.00 0.00 112 R 8.62 4.49 0.00 1.89 1.87 0.00 3.38 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 113 N 9.27 4.87 0.00 3.00 2.84 0.00 0.00 7.18 7.60 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 0.00 114 L 8.91 4.76 0.00 1.50 1.52 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.65 4.42 0.00 1.93 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 2.21 2.25 0.00 116 V 7.93 4.21 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 0.73 0.00 0.00 0.77 0.00 0.00 117 S 8.58 4.15 0.00 3.88 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 0.00 118 E 8.44 4.32 0.00 1.94 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 2.27 2.40 0.00 119 Q 7.92 4.17 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 120 E 8.68 4.09 0.00 1.95 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 0.00 2.31 2.36 0.00 121 I 7.48 4.36 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.92 0.00 0.00 122 P 0.00 4.08 0.00 2.07 2.05 0.00 3.68 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 2.01 2.15 0.00 123 E 7.67 4.62 0.00 1.88 1.78 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 2.20 2.28 0.00 124 I 8.30 4.09 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.95 0.00 0.00 125 N 7.81 4.54 0.00 2.67 2.94 0.00 0.00 6.82 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 0.00 126 L 7.63 4.51 0.00 1.15 0.75 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.41 3.90 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 128 F 8.37 4.73 0.00 2.97 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 0.00 129 D 8.78 4.94 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.85 0.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.82 0.00 0.00 131 S 9.63 5.01 0.00 3.64 3.87 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 0.00 132 A 9.19 4.64 1.27 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 0.00 0.00 133 T 9.48 4.94 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 1.15 0.00 0.00 134 I 8.09 5.03 1.30 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.68 0.00 0.00 135 S 7.92 4.23 0.00 3.77 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 0.00 136 S 9.24 4.24 0.00 3.90 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 0.00 137 D 8.18 4.51 0.00 2.69 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 0.00 138 G 7.92 3.90 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 0.00 0.00 0.00 139 F 8.24 4.17 0.00 3.04 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 0.00 140 K 8.39 3.82 0.00 2.08 2.05 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 141 S 8.58 4.09 0.00 4.12 4.11 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 0.00 142 A 8.52 4.00 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.65 3.47 1.58 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.04 0.82 0.00 0.00 144 S 7.96 4.32 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 0.00 145 E 8.42 4.07 0.00 2.16 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 2.31 2.43 0.00 146 V 7.67 3.62 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 1.03 0.00 0.00 0.95 0.00 0.00 147 S 9.01 4.46 0.00 3.84 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 0.00 148 T 7.30 4.32 4.23 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 1.26 0.00 0.00 149 V 7.59 4.38 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 0.69 0.00 0.00 0.97 0.00 0.00 150 T 7.57 4.68 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 1.32 0.00 0.00 151 D 8.61 4.88 0.00 2.81 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 0.00 152 N 8.18 4.75 0.00 2.60 2.76 0.00 0.00 6.81 7.63 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 0.00 153 V 8.74 3.80 2.28 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 1.01 0.00 0.00 0.96 0.00 0.00 154 V 8.46 4.19 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 0.92 0.00 0.00 0.97 0.00 0.00 155 V 9.02 4.61 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 0.39 0.00 0.00 1.01 0.00 0.00 156 E 10.05 5.34 0.00 2.03 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 0.00 2.30 2.32 0.00 157 G 9.22 4.67 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 0.00 158 H 8.99 5.09 0.00 3.13 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.45 3.04 0.00 1.95 1.89 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 2.18 2.22 0.00 160 D 7.70 4.84 0.00 2.64 2.84 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 0.00 161 R 7.90 5.12 0.00 1.91 2.05 0.00 2.88 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 162 I 8.93 4.97 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 1.21 0.00 0.00 163 L 9.69 5.23 0.00 1.62 1.64 1.06 -0.26 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 0.00 164 I 8.62 4.77 2.02 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 1.43 0.91 0.92 0.00 0.00 165 K 9.17 5.09 0.00 2.01 1.86 0.00 1.33 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.39 7.81 166 A 8.75 4.96 1.27 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 0.00 0.00 167 E 8.44 4.61 0.00 1.91 1.89 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 2.20 2.27 0.00 168 G 7.62 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 0.00 0.00 0.00 0.00 169 E 8.99 3.99 0.00 1.94 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 2.29 2.33 0.00 170 S 7.83 4.51 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.62 4.74 0.00 1.84 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 2.24 2.13 0.00 172 V 8.22 4.38 2.07 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 1.04 0.00 0.00 0.92 0.00 0.00 173 E 8.47 4.63 0.00 1.96 1.78 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 2.18 2.32 0.00 174 V 8.72 4.12 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 0.46 0.00 0.00 0.88 0.00 0.00 175 E 8.42 4.96 0.00 1.91 1.68 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 2.16 2.30 0.00 176 F 9.42 4.84 0.00 3.09 3.06 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 0.00 177 S 8.46 5.18 0.00 3.85 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 0.00 178 K 8.63 4.02 0.00 1.85 1.86 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.37 7.81 179 D 7.97 4.21 0.00 2.79 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 0.00 180 T 8.00 3.97 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 1.34 0.00 0.00 181 G 7.72 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 7.75 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 0.00 183 L 7.58 4.39 0.00 1.81 1.83 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 8.27 4.24 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.38 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 185 D 7.72 4.92 0.00 2.64 2.41 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 0.00 186 L 8.43 5.26 0.00 1.62 1.46 0.95 0.87 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 0.00 187 E 8.96 4.82 0.00 2.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 188 F 8.78 5.60 0.00 2.86 2.86 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 0.00 189 S 8.37 4.41 0.00 3.71 3.87 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 0.00 190 K 6.54 4.22 0.00 1.48 1.47 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.33 7.81 191 E 8.68 4.66 0.00 1.99 1.97 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 2.58 2.68 0.00 192 S 8.77 4.87 0.00 3.96 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 0.00 193 K 10.27 4.80 0.00 1.73 1.72 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.53 7.81 194 N 9.12 5.18 0.00 2.99 2.41 0.00 0.00 6.62 7.38 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 0.00 195 S 8.14 5.19 0.00 3.82 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 0.00 196 Y 8.71 5.06 0.00 2.99 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 0.00 197 S 8.96 4.55 0.00 4.09 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 0.00 198 A 8.63 4.18 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 0.00 199 E 8.19 3.94 0.00 2.13 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 0.00 2.26 2.04 0.00 200 Y 7.79 4.46 0.00 3.29 3.25 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 0.00 201 L 8.16 4.39 0.00 1.99 1.83 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 202 D 8.37 4.33 0.00 2.97 2.82 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 0.00 203 D 7.95 4.22 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 204 V 7.77 3.82 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 -0.22 0.00 0.00 205 L 7.34 4.08 0.00 1.54 1.75 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 206 S 8.03 4.06 0.00 3.96 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 0.00 207 L 8.21 3.76 0.00 0.85 0.44 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 208 T 7.58 4.45 4.57 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 1.68 0.00 0.00 209 K 7.15 4.51 0.00 1.88 1.87 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.34 7.81 210 L 7.52 4.49 0.00 1.56 1.65 0.70 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 211 S 7.58 4.80 0.00 4.03 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 0.00 212 D 8.79 4.47 0.00 2.73 2.40 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 0.00 213 Y 8.06 5.30 0.00 2.78 2.79 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 0.00 214 V 8.93 4.11 1.59 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 0.38 0.00 0.00 -0.36 0.00 0.00 215 K 8.86 4.30 0.00 1.79 1.69 0.00 1.47 0.00 0.00 1.20 0.00 0.00 2.61 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.24 7.81 216 I 8.40 4.15 1.50 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.90 0.00 0.00 217 S 9.44 5.65 0.00 2.81 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 F 7.29 5.40 0.00 3.37 3.15 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 0.00 219 G 8.33 4.59 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 0.00 0.00 0.00 220 N 9.08 4.76 0.00 2.76 2.81 0.00 0.00 6.89 7.69 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 0.00 221 Q 8.91 3.55 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 222 K 7.49 4.74 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.53 7.81 223 P 0.00 4.90 0.00 2.15 2.08 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 224 L 8.48 4.49 0.00 0.27 0.44 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 225 Q 10.05 4.95 0.00 2.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 226 L 9.16 4.51 0.00 1.72 1.14 1.29 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 227 F 8.21 4.84 0.00 2.94 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 0.00 228 F 8.78 4.92 0.00 2.95 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 0.00 229 N 8.45 4.62 0.00 3.00 2.83 0.00 0.00 7.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *231 E 8.58 4.09 0.00 2.05 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 2.25 2.36 0.00 232 G 8.27 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 0.00 233 G 8.21 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 0.00 0.00 0.00 234 G 8.11 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 0.00 235 K 9.28 4.29 0.00 1.65 1.62 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.59 7.81 236 V 7.89 4.74 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 0.92 0.00 0.00 0.87 0.00 0.00 237 T 9.06 5.23 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 1.48 0.00 0.00 238 Y 9.20 5.42 0.00 3.04 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 0.00 239 L 8.98 4.92 0.00 1.60 1.39 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 240 L 8.57 4.75 0.00 1.15 1.14 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 241 A 8.72 4.71 1.25 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 0.00 0.00 0.00 242 P 0.00 4.30 0.00 1.90 1.95 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.39 0.00 243 K 8.06 4.12 0.00 1.73 1.65 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.