NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 161 S 4.4379 8.3349 115.4128 57.7194 65.0798 174.4229 162 L 4.2732 7.6275 122.7457 53.1488 40.1832 172.2960 163 M 4.5531 7.9763 119.8570 53.4157 34.7092 175.4375 164 V 3.9168 8.1283 124.3612 61.5253 33.1101 173.3716 165 P 4.6777 0.0000 0.0000 63.0549 31.6646 175.8224 166 V 4.4943 9.4316 125.1140 60.8333 35.3516 173.6165 167 E 5.0162 8.7006 125.9062 54.5226 31.9557 174.7668 168 I 4.6187 8.2970 127.3671 59.8603 39.5966 175.0275 169 R 5.3146 8.7835 123.5017 54.2962 34.3021 174.3472 170 W 4.8076 9.3789 131.1590 55.2929 34.1498 175.6926 171 Q 4.9551 7.1746 122.1023 55.3547 28.8704 174.8623 172 Q 4.3824 6.1600 115.5466 56.4109 29.4159 175.9168 173 G 4.0299 8.4625 103.3331 45.2229 0.0000 173.0324 174 G 4.4566 8.5457 104.7469 45.1593 0.0000 173.8092 175 S 4.7727 8.9634 113.3231 58.5252 65.4889 174.9299 176 K 4.4606 8.7308 120.3055 54.3608 34.8451 175.7911 177 V 4.6026 7.7614 124.2305 61.1718 34.9499 173.7184 178 Y 5.3859 8.8771 123.1196 56.5583 42.8390 174.4628 179 V 4.9370 9.0344 114.9330 60.1743 35.4361 174.8687 180 T 4.5222 7.7102 111.6150 60.4781 72.6616 173.8365 181 G 2.0000 6.9299 108.7982 44.6992 0.0000 172.7474 182 S 3.8444 6.8348 113.4341 61.4818 62.5420 176.4234 183 F 4.4727 7.1489 111.8039 58.0170 37.7780 175.2422 184 T 4.4522 7.4782 116.5101 62.4564 70.4186 174.9171 185 K 3.8555 8.2358 119.4984 56.4085 30.0148 175.9017 186 W 3.5120 7.7613 115.7584 57.5376 26.7469 175.2181 187 R 4.6048 8.6506 112.4936 51.7774 28.3669 172.6119 188 K 4.3617 7.3477 122.8389 56.3185 34.3281 173.6972 189 M 4.8763 7.9088 126.3803 54.0832 34.5953 175.2231 190 I 4.6395 8.5154 121.0978 59.3899 40.3765 175.7861 191 G 3.8070 9.0428 114.2991 46.1595 0.0000 172.4330 192 L 4.9616 8.1572 122.4426 52.8574 43.5700 176.5547 193 I 4.2710 8.5438 124.8312 59.9179 38.7475 173.8719 194 P 4.0177 0.0000 0.0000 62.4334 32.1273 176.5289 195 D 4.4302 8.9804 123.8701 55.0317 39.7387 177.3609 196 S 3.9860 7.9134 118.9977 60.5942 64.4155 174.1965 197 D 4.1819 8.0347 118.2268 54.3297 40.0482 176.2205 198 N 3.9679 5.7700 111.1898 54.0975 40.1736 172.6596 199 N 4.6550 8.6509 123.5588 53.4271 40.5543 174.7875 200 G 4.1394 9.0800 112.6839 44.9931 0.0000 172.5385 201 S 5.3190 7.6457 115.0777 56.7565 66.7217 172.9710 202 F 5.4218 9.8569 121.6456 56.4852 43.7200 173.0079 203 H 5.6352 9.3138 114.9453 56.3695 32.5481 172.8064 204 V 4.4476 8.0121 114.1185 60.9063 34.0248 171.7452 205 K 4.9090 8.7826 123.6460 55.0652 33.2992 175.6875 206 L 4.6902 8.7928 124.4661 52.8683 46.0206 175.9629 207 R 4.9451 7.9461 119.3477 53.2630 29.4683 175.4206 208 L 4.0849 7.6317 123.1221 54.1586 43.5638 176.1957 209 L 4.4367 8.2335 122.0679 53.2606 43.0906 174.5681 210 P 4.3348 0.0000 0.0000 63.6884 32.0887 175.0941 211 G 3.7218 8.1421 105.7649 44.5096 0.0000 171.9209 212 T 5.0412 8.2520 116.0696 62.6042 70.2732 174.3591 213 H 5.0846 9.0477 122.3073 54.1842 32.3360 173.0498 214 R 5.1677 8.8799 122.4178 55.3031 32.6349 175.3077 215 F 4.6830 8.8171 116.0664 56.6933 42.0433 172.5390 216 R 5.0476 9.0602 117.2456 55.3011 35.1653 174.2741 217 F 5.3316 9.4239 118.9280 55.9691 42.7436 175.2422 218 I 4.7722 8.9721 122.3153 59.9062 39.4633 175.0686 219 V 4.1683 8.4384 128.8961 60.7369 33.0605 175.6767 220 D 4.5463 9.7445 131.6419 55.6406 38.6965 175.2430 221 N 4.4167 8.1401 111.7379 53.5584 37.3073 174.6458 222 E 4.6724 7.8038 118.4671 54.4207 31.5511 174.9160 223 L 4.8452 8.2611 122.3392 54.6609 42.6660 176.4299 224 R 4.9030 9.3571 121.4924 54.6611 35.3148 174.0918 225 V 4.9225 8.4271 120.1981 60.9025 33.9653 175.3188 226 S 4.1157 10.0139 123.6146 58.9729 62.6282 173.8727 227 D 4.4160 8.1585 126.1163 55.5239 40.9773 176.7928 228 F 5.1186 7.1960 117.7544 56.8791 39.5348 175.3085 229 L 4.8859 7.5385 118.0481 52.0492 45.8864 174.5822 230 P 4.4100 0.0000 0.0000 63.1966 32.0396 175.6015 231 T 5.0409 8.3243 113.3597 60.2879 71.8356 172.7240 232 A 4.7886 8.4232 122.5759 51.5874 23.1462 175.6827 233 T 4.9225 8.4793 109.6650 60.7855 71.0262 173.8805 234 D 4.7793 8.2888 122.7668 53.0547 43.3224 176.9941 235 Q 3.8719 8.7356 116.9287 59.5475 28.6694 177.4631 236 M 4.0092 8.0831 117.3705 58.6453 32.3019 175.3387 237 G 3.3273 7.0616 105.7458 44.8927 0.0000 172.9851 238 N 4.5146 8.0603 119.6837 52.5748 39.3781 174.2738 239 F 4.8218 8.8526 127.5799 58.7100 40.3998 174.5466 240 V 4.3877 8.3439 118.0665 60.6465 36.7654 172.9203 241 N 5.3159 8.8292 118.1873 52.1976 41.3814 173.8523 242 Y 5.2981 7.7944 118.3083 56.1439 41.8754 174.0652 243 I 4.6105 8.8801 112.4907 59.5890 41.4612 173.2552 244 E 4.9747 9.0234 126.7354 55.2763 30.7276 174.9537 245 V 4.3669 9.1954 127.7236 61.7101 33.6913 175.1532 246 R 4.3477 8.2189 126.7297 55.8409 32.9463 175.2048 247 Q 3.8350 9.1065 119.6153 59.1355 28.0162 177.6963 *306 T 4.1205 8.3560 115.8706 64.5696 70.4148 174.0168 307 T 4.4118 8.4984 120.0241 63.3284 69.1812 173.7201 308 D 4.7406 7.7717 122.3535 52.3750 41.4038 176.3879 309 I 3.8692 8.3059 126.5012 60.1689 37.7731 174.5054 310 P 4.2774 0.0000 0.0000 62.7941 31.5820 177.1035 311 A 4.5412 8.7504 124.0588 54.4992 18.3603 179.3475 312 V 3.5115 7.6258 113.8271 64.7632 31.4997 176.1238 313 F 4.9453 8.0217 116.0613 57.8105 39.8694 174.8754 314 T 4.4099 7.6923 108.8414 62.8874 71.1175 173.2655 315 D 4.6006 7.8451 122.9031 52.4675 41.7721 175.3939 316 P 4.3221 0.0000 0.0000 66.0854 30.6842 178.5684 317 S 4.0939 8.0307 114.4932 61.5427 62.6462 176.4330 318 V 3.4812 7.4476 118.6773 65.1447 31.5404 177.5728 319 M 4.3882 7.8181 118.2384 58.5842 31.7684 178.1077 320 E 4.1551 8.6069 118.5419 58.9856 29.6617 179.2868 321 R 4.2800 7.7566 117.9420 58.5636 30.1868 178.0106 322 Y 4.0288 8.2214 119.8208 61.0413 38.8822 177.5879 323 Y 3.9223 8.6165 117.0747 60.9161 37.6968 178.3120 324 Y 4.1365 7.5380 119.1734 60.9912 39.1191 177.6145 325 T 3.6777 7.5650 108.4862 63.8818 69.3155 176.3443 326 L 3.8306 7.5807 123.7758 57.9654 41.8982 178.2122 327 D 4.8063 7.7687 116.1931 54.6750 40.5875 177.2062 328 R 4.1646 7.3920 120.6503 55.9901 31.6463 174.1503 *340 P 4.2206 0.0000 0.0000 61.4507 32.2085 174.0971 341 P 4.5289 0.0000 0.0000 62.2815 32.0965 175.8704 342 Q 4.0349 8.2638 118.0278 55.2662 29.1163 176.2207 343 L 4.0452 8.3732 124.0791 54.1979 41.6733 174.6270 344 P 4.3238 0.0000 0.0000 62.5211 31.9215 176.3428 345 P 4.0807 0.0000 0.0000 65.8120 31.5413 176.7668 346 Q 3.9717 7.3677 116.1283 55.9626 29.1657 174.4870 *375 H 4.1930 8.1712 118.2769 56.3787 30.5051 172.6844 376 V 4.3544 7.7769 117.1498 61.6348 31.8162 176.2556 377 V 4.5255 7.5795 113.6930 60.9007 32.3011 175.1959 378 L 4.6854 7.5072 117.1904 53.4725 45.5150 175.0088 379 N 5.2413 8.2181 119.7529 54.3636 41.4268 174.7690 380 H 4.8530 8.3798 116.8669 54.6315 30.0670 173.4450 381 L 4.7778 8.4904 124.2432 54.1792 44.4847 177.0695 382 V 4.5292 8.9554 126.4733 61.2861 34.0594 174.4734 383 T 5.0715 8.5345 117.0591 60.0096 71.9893 172.4297 384 S 4.8047 8.0015 115.5981 56.3895 66.7136 174.0696 385 S 4.0612 8.5520 115.3991 58.0014 62.9400 173.6474 386 I 3.7025 8.3381 126.0851 61.7103 36.5391 176.2442 387 K 4.1234 8.7271 125.0869 59.1904 32.6552 176.8127 388 H 5.0908 7.7225 115.3110 54.1200 31.9054 173.4031 389 N 4.5294 8.9719 118.7679 56.5498 39.4061 175.3273 390 T 5.0872 8.1470 107.8213 60.5758 71.6176 173.2721 391 L 4.6699 9.4050 126.3919 53.5805 44.5319 174.5348 392 C 4.6545 8.5312 126.1149 57.5637 33.3827 172.5632 393 V 4.9128 8.3116 125.4966 60.2360 34.7645 174.3851 394 A 4.9476 8.5612 121.7095 51.5124 23.1988 175.2090 395 S 4.8630 8.9893 113.6909 56.6608 66.6404 172.9168 396 I 4.7170 8.3786 126.7428 60.5516 38.3930 174.9265 397 V 4.7031 9.0777 127.3018 61.0405 34.9740 173.8508 398 R 4.9085 8.5965 124.8925 54.7447 32.1476 174.9249 399 Y 4.5897 9.0232 127.0669 56.2710 41.5843 176.7732 400 K 3.5975 8.0928 130.5227 57.9271 30.4022 176.9538 401 Q 4.4457 9.0423 124.6837 56.2011 29.2680 174.6823 402 K 4.5277 7.8239 118.0093 54.6304 35.0518 174.2464 403 Y 5.2622 8.3085 117.7238 56.3451 40.4296 175.4179 404 V 4.4241 9.0702 123.4998 61.4411 34.7492 174.4579 405 T 4.7456 8.6303 124.7841 62.4772 69.0706 174.0753 406 Q 4.3736 8.8825 127.2181 55.1182 30.2785 175.2550 407 I 4.7334 8.4104 124.7486 59.3977 39.8337 174.5181 408 L 4.6181 9.3369 130.9690 53.7042 43.8323 174.4451 409 Y 5.0364 8.7370 124.1836 56.8435 39.4916 175.2522 410 T 4.8480 9.0307 121.3743 60.7378 72.7632 171.6127 411 P 4.7826 0.0000 0.0000 62.4161 32.1374 176.3044 412 I 3.9524 8.7049 125.1592 61.7573 36.7497 175.8627 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 161 S 8.33 4.44 0.00 3.99 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 0.00 162 L 7.63 4.27 0.00 1.73 1.66 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 163 M 7.98 4.55 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 164 V 8.13 3.92 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 0.93 0.00 0.00 1.01 0.00 0.00 165 P 0.00 4.68 0.00 1.95 1.96 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 166 V 9.43 4.49 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 0.95 0.00 0.00 0.90 0.00 0.00 167 E 8.70 5.02 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 2.21 2.42 0.00 168 I 8.30 4.62 1.76 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.72 0.79 0.00 0.00 169 R 8.78 5.31 0.00 1.74 1.96 0.00 3.42 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 170 W 9.38 4.81 0.00 2.76 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 0.00 171 Q 7.17 4.96 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.29 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 172 Q 6.16 4.38 0.00 0.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 173 G 8.46 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 0.00 0.00 0.00 174 G 8.55 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.96 4.77 0.00 3.96 3.94 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 0.00 176 K 8.73 4.46 0.00 1.70 1.61 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.51 7.81 177 V 7.76 4.60 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 0.53 0.00 0.00 -0.58 0.00 0.00 178 Y 8.88 5.39 0.00 2.91 2.67 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 0.00 179 V 9.03 4.94 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 0.25 0.00 0.00 0.98 0.00 0.00 180 T 7.71 4.52 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 1.20 0.00 0.00 181 G 6.93 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 0.00 0.00 0.00 0.00 0.00 0.00 182 S 6.83 3.84 0.00 4.03 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 0.00 183 F 7.15 4.47 0.00 3.02 3.18 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 0.00 184 T 7.48 4.45 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 1.28 0.00 0.00 185 K 8.24 3.86 0.00 1.94 1.99 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 186 W 7.76 3.51 0.00 3.42 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 0.00 187 R 8.65 4.60 0.00 1.91 1.94 0.00 3.14 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 188 K 7.35 4.36 0.00 1.82 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.17 7.81 189 M 7.91 4.88 0.00 1.90 1.56 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 190 I 8.52 4.64 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.92 0.00 0.00 191 G 9.04 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 0.00 192 L 8.16 4.96 0.00 1.52 1.78 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.54 4.27 1.73 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 1.21 0.68 0.87 0.00 0.00 194 P 0.00 4.02 0.00 1.76 1.53 0.00 3.63 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 1.96 1.99 0.00 195 D 8.98 4.43 0.00 2.71 2.58 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 0.00 0.00 0.00 0.00 196 S 7.91 3.99 0.00 3.82 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 0.00 197 D 8.03 4.18 0.00 2.63 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 0.00 0.00 0.00 0.00 198 N 5.77 3.97 0.00 2.78 2.71 0.00 0.00 7.17 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 0.00 199 N 8.65 4.65 0.00 2.65 2.65 0.00 0.00 7.44 7.98 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 0.00 200 G 9.08 4.14 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 0.00 0.00 0.00 201 S 7.65 5.32 0.00 3.74 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 0.00 202 F 9.86 5.42 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 203 H 9.31 5.64 0.00 3.19 3.44 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 V 8.01 4.45 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 0.62 0.00 0.00 0.90 0.00 0.00 205 K 8.78 4.91 0.00 1.64 1.76 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.49 7.81 206 L 8.79 4.69 0.00 1.23 1.21 0.44 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 207 R 7.95 4.95 0.00 1.59 1.79 0.00 3.29 0.00 0.00 3.86 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 208 L 7.63 4.08 0.00 1.41 1.20 0.54 -0.31 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 0.00 209 L 8.23 4.44 0.00 1.65 1.65 0.93 0.97 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 0.00 210 P 0.00 4.33 0.00 2.24 2.07 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 211 G 8.14 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 5.04 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 1.30 0.00 0.00 213 H 9.05 5.08 0.00 3.35 3.58 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 R 8.88 5.17 0.00 2.05 2.10 0.00 3.27 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 215 F 8.82 4.68 0.00 2.92 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 0.00 216 R 9.06 5.05 0.00 2.05 2.07 0.00 3.19 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 217 F 9.42 5.33 0.00 2.65 2.58 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 0.00 0.00 0.00 0.00 218 I 8.97 4.77 1.98 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 1.12 0.96 0.93 0.00 0.00 219 V 8.44 4.17 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 0.74 0.00 0.00 -0.43 0.00 0.00 220 D 9.74 4.55 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 N 8.14 4.42 0.00 2.89 2.99 0.00 0.00 7.12 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 0.00 222 E 7.80 4.67 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.86 1.96 0.00 231 T 8.32 5.04 3.56 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 0.00 0.00 0.00 1.06 0.00 0.00 232 A 8.42 4.79 1.17 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 0.00 0.00 233 T 8.48 4.92 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 1.37 0.00 0.00 234 D 8.29 4.78 0.00 2.84 2.56 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 0.00 0.00 0.00 0.00 235 Q 8.74 3.87 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 236 M 8.08 4.01 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 237 G 7.06 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 0.00 0.00 0.00 238 N 8.06 4.51 0.00 2.55 2.65 0.00 0.00 6.70 8.13 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 *306 T 8.36 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 307 T 8.50 4.41 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 1.22 0.00 0.00 308 D 7.77 4.74 0.00 2.67 2.63 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 0.00 309 I 8.31 3.87 1.92 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 1.49 0.49 1.01 0.00 0.00 310 P 0.00 4.28 0.00 2.22 2.26 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.20 0.00 311 A 8.75 4.54 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 0.00 312 V 7.63 3.51 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 0.39 0.00 0.00 0.77 0.00 0.00 313 F 8.02 4.95 0.00 3.17 2.93 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 0.00 386 I 8.34 3.70 1.87 0.00 0.00 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 1.41 0.40 1.02 0.00 0.00 387 K 8.73 4.12 0.00 1.89 1.98 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.48 7.81 388 H 7.72 5.09 0.00 3.21 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 389 N 8.97 4.53 0.00 2.83 2.85 0.00 0.00 6.50 7.22 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 0.00 390 T 8.15 5.09 4.35 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 1.25 0.00 0.00 391 L 9.41 4.67 0.00 1.68 1.65 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 392 C 8.53 4.65 0.00 2.80 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 0.00 393 V 8.31 4.91 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 0.70 0.00 0.00 0.95 0.00 0.00 394 A 8.56 4.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 395 S 8.99 4.86 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 396 I 8.38 4.72 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.97 0.00 0.00 397 V 9.08 4.70 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 1.04 0.00 0.00 1.03 0.00 0.00 398 R 8.60 4.91 0.00 1.94 1.82 0.00 3.20 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.12 0.00 399 Y 9.02 4.59 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 0.00 400 K 8.09 3.60 0.00 1.57 0.86 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.00 0.63 7.81 401 Q 9.04 4.45 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 402 K 7.82 4.53 0.00 1.83 1.67 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.43 7.81 403 Y 8.31 5.26 0.00 2.85 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 0.00 404 V 9.07 4.42 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 1.03 0.00 0.00 0.97 0.00 0.00 405 T 8.63 4.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 406 Q 8.88 4.37 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 407 I 8.41 4.73 1.92 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 1.19 0.61 0.75 0.00 0.00 408 L 9.34 4.62 0.00 1.69 1.50 0.96 0.74 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 0.00 409 Y 8.74 5.04 0.00 2.82 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 0.00 410 T 9.03 4.85 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 411 P 0.00 4.78 0.00 2.09 2.09 0.00 3.82 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 2.00 2.01 0.00 412 I 8.70 3.95 1.96 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 1.10 0.64 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.