NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 T 4.2395 8.0333 110.9442 60.1077 71.0052 174.3722 64 Q 3.6884 8.4056 120.2399 55.8532 26.9661 170.4317 65 L 5.1990 8.2339 121.6746 53.4175 45.7739 174.6268 66 I 4.9361 8.9199 126.7720 59.4561 40.0711 174.3816 67 A 4.8333 8.6057 129.5646 51.0301 20.5241 175.9878 68 V 4.7135 8.7941 122.6631 61.1253 34.2024 174.1742 69 L 5.1846 9.0533 129.3862 53.3185 43.4635 175.9375 70 I 5.0187 8.4378 116.6008 59.4784 41.4516 176.1669 71 D 4.3681 8.7190 120.7990 55.5299 42.1840 176.6042 72 D 4.3685 7.6840 117.1210 52.5026 43.9461 175.4824 73 Y 4.6233 8.2818 124.3251 60.9947 38.1038 177.6081 74 S 4.2886 9.1622 115.3418 60.0117 63.3996 173.6158 75 N 4.9181 8.2302 119.9139 51.0454 38.6387 172.6207 76 P 3.9910 0.0000 0.0000 62.5654 31.0358 178.7274 77 W 4.2285 8.3383 119.0531 59.7727 28.0921 177.1903 78 F 3.3083 6.8818 112.6350 57.7175 38.2073 177.2541 79 I 3.3274 6.4182 123.4538 64.5741 36.9059 177.5480 80 D 4.4919 7.7431 117.9631 55.0963 39.4555 177.9998 81 L 4.1187 7.4721 122.3739 58.4114 42.2497 178.5738 82 I 3.7406 8.0351 120.1609 64.2194 36.9037 178.1857 83 Q 3.9888 8.0981 120.6578 59.1143 28.7638 178.3665 84 S 4.1196 8.1469 114.1236 61.3927 62.4379 175.8920 85 L 3.9766 8.1885 122.0295 58.0107 41.3029 179.5704 86 S 4.1070 8.5309 113.2129 61.6219 62.1634 175.9376 87 D 4.3689 8.2589 120.4830 56.9122 40.5208 178.4706 88 V 3.9549 7.3982 117.5681 65.2480 32.2118 177.6428 89 L 4.3396 8.2529 119.2141 57.7512 41.6166 179.3030 90 T 4.5255 8.1858 111.4220 64.0254 68.3499 174.7252 91 P 4.2696 0.0000 0.0000 64.7697 31.4716 177.7551 92 K 4.2902 7.7489 115.2124 56.7099 32.2787 177.7078 93 G 3.8580 8.1725 108.4589 44.9144 0.0000 173.5279 94 Y 4.7271 7.5435 117.1722 57.6390 39.8069 174.5692 95 R 5.0022 9.0983 119.9968 54.4830 34.1647 174.5530 96 L 5.4854 8.6063 121.4824 53.0701 44.6721 176.0057 97 S 4.7576 8.7432 115.8671 56.6773 66.6363 172.8193 98 V 4.8952 8.4697 121.5980 61.4454 33.6207 174.7333 99 I 4.7201 8.6574 127.2702 59.7154 40.6798 174.7751 100 D 5.8500 8.7755 127.1399 51.2699 41.5567 176.0846 101 S 4.6399 8.3167 110.8394 58.3489 63.6692 175.1554 102 L 4.5788 8.0160 120.1937 55.2002 42.6843 177.1138 103 T 4.6141 8.2211 105.8220 61.5418 70.4117 176.2782 104 S 4.4147 8.9867 118.3781 61.0512 63.0853 173.9849 105 Q 4.5799 7.4922 116.6740 54.4799 31.4629 175.4563 106 A 4.0142 8.6742 122.1972 54.8048 19.2816 178.3854 107 G 4.1520 7.7192 108.1758 45.6306 0.0000 174.0833 108 T 4.6333 8.3720 107.8638 61.7463 70.0691 174.3595 109 D 5.0009 7.6924 116.8214 52.1607 39.4305 174.4371 110 P 4.6412 0.0000 0.0000 65.8590 31.7861 178.5282 111 I 3.7114 7.7139 118.1564 64.6396 36.8878 178.4356 112 T 3.8877 7.8337 116.2366 66.5612 67.9930 177.0142 113 S 4.1117 7.8860 115.7177 61.4471 63.0276 175.9789 114 A 4.1463 8.0497 122.6249 55.3180 18.2347 179.5005 115 L 4.1341 8.0164 116.5815 57.2624 42.0079 180.3276 116 S 4.3554 7.5764 116.3977 57.5393 63.5007 174.9332 *118 R 4.1558 7.8168 116.6805 56.6645 31.1534 174.4535 119 P 4.6201 0.0000 0.0000 62.7258 32.6859 176.9135 120 D 4.5669 9.2358 120.9948 57.3711 41.6030 176.3603 121 G 4.6016 7.6877 103.4194 46.2079 0.0000 171.9605 122 I 5.2002 8.5192 119.7204 59.4801 41.8616 174.7143 123 I 4.6244 8.9293 127.4625 59.7387 39.6141 174.7840 124 I 4.6350 8.1341 128.2585 59.3851 38.4170 176.1349 125 A 5.0460 8.9360 133.0682 52.2905 18.9582 175.4676 126 Q 4.9726 7.7618 120.5606 56.0921 31.9482 175.0697 127 D 4.2440 8.6795 119.5029 56.0128 39.8507 172.5027 128 I 4.2413 8.0279 116.6417 62.6747 39.7637 175.9197 129 P 4.3481 0.0000 0.0000 62.0972 31.4452 174.5128 130 D 4.3527 8.6019 120.1599 54.7908 40.9311 176.1861 131 F 4.1369 8.6091 120.1728 58.6654 38.2733 173.8258 132 T 3.4308 9.5468 123.3358 63.7668 65.0958 170.3236 133 V 5.5290 8.6257 125.8903 58.7645 33.5309 172.2719 134 P 4.8634 0.0000 0.0000 62.8430 32.2015 175.5254 135 D 4.6332 8.8539 121.0222 52.7827 45.4150 176.0590 136 S 4.1203 8.9104 117.1271 60.4302 63.5972 174.8195 137 L 4.4523 7.5357 121.0671 56.0357 49.3845 174.6319 138 P 4.2423 0.0000 0.0000 65.9863 31.4781 177.5267 *154 D 4.7706 7.9170 115.7375 53.6592 43.1847 174.5350 155 S 5.1863 8.1462 111.7327 56.5505 66.2272 173.2564 156 V 4.6515 8.2616 121.0440 61.3468 33.9213 174.3315 157 A 4.1900 8.6223 127.6715 50.7957 22.9806 175.0796 158 N 5.2097 9.1498 117.2610 52.4344 39.3473 175.6847 159 D 4.6864 9.0391 119.2843 53.6124 41.0306 176.3269 160 D 4.5566 8.7385 128.1841 57.0839 41.0019 178.3362 161 F 3.9884 8.4073 120.9109 61.2669 39.4533 177.0301 162 R 4.1686 9.0557 118.8893 59.2894 29.9047 178.6188 163 G 4.2507 8.8275 106.8399 47.5103 0.0000 175.5750 164 A 4.0257 8.4082 123.7564 54.4607 18.3190 179.4028 165 E 3.7063 8.0600 117.9887 59.4163 29.7057 179.0403 166 I 3.6111 7.9597 119.8781 64.2774 37.0350 178.2363 167 A 3.7554 7.6602 121.3906 55.4160 18.1182 179.8844 168 T 3.7958 7.5858 114.1480 66.7077 68.5380 177.1627 169 K 3.8491 8.3504 120.8458 59.5000 32.1436 178.7533 170 H 4.1000 8.3269 118.5825 59.4348 29.9175 177.3102 171 L 3.9865 7.6759 120.5104 57.7314 41.3179 179.6451 172 I 3.8812 7.8037 119.7143 64.6583 36.8937 178.3329 173 D 4.3764 8.4371 118.3683 56.9488 40.8585 178.0551 174 L 4.2646 7.6923 117.8157 55.2693 41.5371 178.2233 175 G 3.9408 8.1653 108.1536 45.2487 0.0000 173.5227 176 H 4.5049 7.8294 117.0045 55.5926 29.5030 174.9164 177 T 4.3530 8.5656 112.6727 63.2596 70.5942 174.4684 178 H 4.7473 7.8775 121.5712 54.0946 27.5840 173.0308 179 I 5.1627 8.1056 122.3714 59.2619 40.0708 174.1649 180 A 5.3493 9.0072 127.5096 50.3847 22.7831 174.2669 181 H 4.8495 8.9396 119.4914 54.1098 32.9901 172.7057 182 L 4.7848 7.9255 126.0075 53.3834 42.7202 176.3255 183 R 4.5870 8.8491 121.5412 54.9650 31.4188 176.0831 184 V 4.5178 7.9151 111.4348 59.3258 36.0045 176.4164 185 G 3.9276 8.8126 111.4213 45.1566 0.0000 174.6942 186 S 4.5696 7.6397 116.4172 56.8812 65.7387 175.1217 187 G 4.1496 8.6919 108.9964 47.4443 0.0000 175.6887 188 A 4.1428 7.9751 122.9541 54.7992 18.4618 179.7924 189 G 3.5300 7.8815 105.6731 47.1926 0.0000 175.7160 190 L 4.0796 8.3296 123.1000 58.0687 42.1099 179.3343 191 R 4.0467 8.0614 118.0504 59.4474 29.9953 179.3290 192 R 3.9878 8.3272 118.0730 58.9307 29.9948 178.9973 193 F 4.1512 8.4688 120.6825 61.3800 39.5014 177.0353 194 E 3.6863 8.4841 118.3806 59.4381 29.2124 179.4031 195 S 3.2598 8.1165 113.1698 60.7475 62.0450 175.7721 196 F 4.1057 7.9383 122.4695 61.4596 39.2092 176.6800 197 E 3.6079 7.6399 116.1767 59.2085 29.5303 178.8837 198 A 4.1628 7.8338 120.6958 55.3172 18.4919 179.9111 199 T 3.8649 7.9239 112.7949 64.3193 68.5092 176.8300 *201 R 4.2743 8.0521 122.2270 56.2528 32.0891 177.9555 202 A 4.0130 7.9851 119.7649 54.9636 18.4265 177.7120 203 H 4.5064 8.0952 110.7237 55.6177 28.7841 176.1654 204 G 3.9146 8.0971 107.5453 45.4413 0.0000 173.5556 205 L 4.6569 7.3888 118.1126 52.3797 44.0512 175.5448 206 E 4.1833 8.5026 123.1127 54.7761 30.1592 174.7141 207 P 4.4873 0.0000 0.0000 62.4057 32.6043 175.1651 208 L 4.9298 8.5532 121.4917 53.8502 45.2243 175.3395 209 S 5.6012 9.0230 120.5866 56.0296 67.4914 173.1992 210 N 4.8439 8.6406 119.9214 52.2404 39.0046 174.4063 211 D 4.6431 8.4222 115.6954 52.8032 39.9321 175.6929 212 Y 4.0245 7.9502 121.4059 58.7361 38.5285 175.6336 213 L 4.4088 7.8860 125.6870 54.2684 43.0999 176.9251 214 G 3.7034 5.3800 109.7808 43.3165 0.0000 171.9649 215 P 4.5412 0.0000 0.0000 61.9973 32.0026 176.0221 216 A 4.2943 8.3064 122.2810 51.9235 18.0832 178.0092 217 V 4.5888 7.9095 114.5850 59.2195 36.7580 176.2016 218 E 4.1609 8.7048 123.6349 59.2200 29.5961 178.7642 219 H 4.1852 8.2643 117.4814 59.3339 29.9582 176.9408 220 A 3.9187 7.9863 122.2044 54.8920 18.2224 179.6259 221 G 3.5026 7.7253 103.9026 47.9085 0.0000 175.3182 222 Y 4.2686 7.8922 122.0122 60.9298 38.9377 178.1622 223 T 3.5799 7.8925 110.6715 64.6436 68.7597 176.3313 224 E 3.8669 8.4246 121.9097 59.3982 29.2536 179.4292 225 T 3.8276 7.7096 115.7871 66.4723 68.3754 176.9019 226 L 3.8380 7.7143 120.7520 57.5173 41.5523 179.5350 227 A 3.9112 7.8424 120.7956 54.8828 18.2860 179.3242 228 L 3.9050 8.0938 119.2287 58.5287 42.2523 179.3412 229 L 4.0120 8.1375 118.5660 57.0855 41.2370 179.4303 230 K 4.0472 7.4451 119.6084 59.4564 32.2579 178.4554 231 E 4.1736 8.1449 117.8338 58.2147 30.9464 177.0278 232 H 5.1673 8.6265 115.3339 51.8864 29.1505 172.1547 233 P 4.6104 0.0000 0.0000 63.8804 31.8236 178.3787 234 E 4.0460 8.0538 117.2361 58.1670 30.0624 176.9913 235 V 3.9372 7.6237 120.7556 63.5819 31.9657 175.3228 236 T 4.7578 8.8734 115.2451 61.5253 70.9127 173.3660 237 A 5.1355 7.7759 123.3513 50.7640 23.0984 174.9405 238 I 4.9220 9.0745 121.8334 59.4619 41.2564 174.3803 239 F 5.3119 9.2208 130.1838 56.7649 40.4239 174.2970 240 S 4.3565 9.0278 122.8325 57.3079 62.9877 174.7963 241 S 3.8071 8.0904 122.3651 61.2683 62.8034 173.4443 242 N 5.1615 7.6595 114.8840 50.5226 40.4783 175.1079 243 D 4.3673 9.0566 118.8174 57.6589 40.2464 179.0761 244 I 3.7051 7.7972 118.5316 64.4274 37.9817 177.9318 245 T 3.8777 8.2756 116.5519 66.4151 68.2556 176.6527 246 A 4.0397 7.9912 122.7794 55.0845 18.3971 179.6911 247 I 3.8337 8.0699 118.7909 64.4379 37.0978 178.8864 248 G 3.6137 7.9488 105.9143 47.0621 0.0000 175.4376 249 A 4.1509 7.8590 124.7738 54.3932 18.4091 179.7617 250 L 4.0723 8.5707 118.0429 57.8096 41.5527 180.0298 251 G 3.6180 8.1256 105.5344 47.5860 0.0000 175.6831 252 A 4.1309 8.4281 123.0411 54.9454 18.3243 179.5211 253 A 3.9370 8.2402 119.4017 55.3025 18.4508 179.8197 254 R 3.8221 8.0390 117.1740 59.6409 29.9648 178.3744 255 E 4.0279 8.3638 118.1450 59.0622 29.7671 178.0145 256 L 4.3390 8.0673 116.6061 54.5633 41.9408 177.6070 257 G 3.8640 7.6911 106.9716 45.9252 0.0000 173.2463 258 L 4.3933 7.9543 120.2137 53.1131 42.4492 177.1550 259 R 4.0807 9.2010 124.1571 55.9277 30.6754 175.7889 260 V 4.7457 8.2696 121.7568 60.7148 33.7799 173.2792 261 P 5.5247 0.0000 0.0000 61.9820 32.0073 176.9840 262 E 3.9113 8.3114 119.4624 59.4286 29.5162 177.4997 263 D 4.7804 8.3682 116.7779 54.7732 42.7502 176.5790 264 L 4.9877 7.4347 118.3380 53.4582 45.8152 175.4482 265 S 5.2888 8.9530 122.0669 57.3360 65.1331 173.3036 266 I 5.1665 8.7309 124.1688 59.6739 40.8150 174.5810 267 I 4.6879 8.9948 126.5356 59.4854 41.4236 174.5616 268 G 4.4669 8.8379 117.7739 45.9107 0.0000 171.0359 269 Y 5.1503 8.7020 120.6355 57.2383 42.1167 175.5082 270 D 4.7492 10.4670 129.4999 53.3822 40.1864 175.7989 271 N 4.1195 7.9416 116.8243 54.6331 37.7296 173.5539 272 T 4.1910 8.5373 108.9390 60.7256 70.1485 173.9443 273 P 4.2593 0.0000 0.0000 65.6240 31.2817 178.9496 274 L 3.9631 7.4521 117.4940 57.8463 41.5630 179.4469 275 A 4.0751 7.8187 120.0598 55.0337 18.0650 179.3112 276 Q 4.1331 7.6398 115.3575 57.1917 29.3726 176.9418 277 T 4.1054 7.0391 110.5602 61.1179 69.5651 175.5754 278 R 3.9326 8.4621 123.3086 59.3524 30.5860 177.7465 279 L 4.1047 8.0215 118.7301 58.1383 42.3910 177.8723 280 I 3.8333 7.7749 117.5199 63.5184 38.1756 176.0848 281 N 4.1204 8.2792 117.7614 54.1854 37.5146 172.9664 282 L 4.7021 7.7926 119.8347 54.4420 43.7177 177.2578 283 T 4.2829 8.9729 124.1433 64.1226 69.6853 173.5121 284 T 5.0223 8.6209 119.1501 61.2949 72.0636 171.8861 285 I 4.3627 7.9779 125.4522 59.8096 38.8689 174.9412 286 D 4.7212 9.3380 128.9289 53.9036 41.8523 175.9062 287 D 4.7302 8.9024 125.1057 52.6172 39.9089 175.5106 288 N 4.2509 8.8171 117.6635 54.7531 38.1291 176.2964 289 S 4.4476 8.3171 112.8952 61.2193 63.2329 175.2115 290 I 3.9219 7.8527 123.6235 64.2517 36.9091 178.3383 291 G 3.8877 8.1759 107.5540 47.1247 0.0000 175.8299 292 V 3.8040 8.4512 121.1629 65.8880 31.6154 178.4379 293 G 3.6419 8.3652 105.5414 47.7903 0.0000 175.0415 294 Y 4.0155 8.0973 121.8119 60.8483 38.8846 177.9860 295 N 4.3302 8.7413 117.3867 56.0426 38.5393 177.3631 296 A 3.9261 8.3741 122.4204 55.0206 18.3778 179.5547 297 A 3.8270 7.8882 119.2294 55.2526 18.4828 179.8658 298 L 3.7684 7.6779 117.5104 57.7146 41.4199 179.5088 299 L 3.9004 7.9168 119.6414 58.0643 42.1037 178.4890 300 L 4.0169 7.8155 119.3149 58.0042 42.0798 178.3083 301 L 4.1122 7.9189 119.9416 57.8127 42.0180 179.4633 302 S 4.2897 7.6494 112.0667 58.7937 63.1030 175.2096 *304 L 4.1944 7.9251 123.2851 55.5205 43.8938 176.8577 *312 E 4.4313 7.7731 117.3831 55.9558 30.9863 173.1857 313 I 4.5418 7.6397 113.1350 61.1069 37.4216 177.1763 *315 H 4.7812 8.7850 115.4043 55.1222 31.0447 171.5645 316 T 5.0434 7.9713 114.6632 61.8064 70.5931 173.5284 317 L 4.7077 8.9096 127.2598 53.3461 44.2207 176.2451 318 Q 4.4965 8.5721 121.0312 54.8824 29.5602 174.4138 319 P 5.0035 0.0000 0.0000 62.4731 33.3761 174.7926 320 S 4.6266 8.3432 112.6399 57.0135 66.5727 173.2085 321 L 4.3588 8.3431 123.6204 54.7571 43.0918 175.9346 322 I 4.3988 8.5147 126.7319 59.5539 39.7851 174.3500 323 E 4.6165 8.7144 127.4825 54.6436 30.0658 175.9879 324 R 4.6077 8.9920 125.0474 56.7338 30.6145 176.6949 325 G 4.0852 9.1457 116.5765 46.6217 0.0000 173.2694 326 T 4.4494 7.8691 108.2256 61.1988 69.4735 173.6678 327 C 5.1414 7.6527 118.4848 58.4958 31.7565 172.7376 328 A 4.6155 8.1358 123.0742 50.3423 21.9885 174.8638 329 P 4.5487 0.0000 0.0000 62.6092 32.1794 176.6516 330 R 4.0293 8.4395 120.0783 57.4282 31.4258 173.8140 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 63 T 8.03 4.24 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 64 Q 8.41 3.69 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 65 L 8.23 5.20 0.00 1.90 1.54 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.92 4.94 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.04 0.87 0.00 0.00 67 A 8.61 4.83 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 68 V 8.79 4.71 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 1.03 0.00 0.00 0.93 0.00 0.00 69 L 9.05 5.18 0.00 1.64 1.69 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.44 5.02 1.45 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.54 0.50 0.00 0.00 71 D 8.72 4.37 0.00 2.71 2.72 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 72 D 7.68 4.37 0.00 2.60 2.52 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 0.00 0.00 0.00 0.00 73 Y 8.28 4.62 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 74 S 9.16 4.29 0.00 4.22 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 75 N 8.23 4.92 0.00 2.93 2.97 0.00 0.00 6.78 7.21 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 76 P 0.00 3.99 0.00 2.10 2.15 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 77 W 8.34 4.23 0.00 3.70 3.52 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 0.00 0.00 0.00 0.00 78 F 6.88 3.31 0.00 2.64 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 79 I 6.42 3.33 1.55 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.76 0.00 0.00 80 D 7.74 4.49 0.00 2.92 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 81 L 7.47 4.12 0.00 1.60 1.69 1.03 1.02 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 82 I 8.04 3.74 1.94 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 1.45 0.69 0.96 0.00 0.00 83 Q 8.10 3.99 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 84 S 8.15 4.12 0.00 4.12 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 85 L 8.19 3.98 0.00 1.93 1.72 0.93 1.05 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 86 S 8.53 4.11 0.00 3.92 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0.00 0.00 0.00 0.00 103 T 8.22 4.61 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 1.28 0.00 0.00 104 S 8.99 4.41 0.00 4.03 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 0.00 105 Q 7.49 4.58 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 106 A 8.67 4.01 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 0.00 107 G 7.72 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 0.00 0.00 0.00 108 T 8.37 4.63 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 1.20 0.00 0.00 109 D 7.69 5.00 0.00 2.79 2.81 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 0.00 110 P 0.00 4.64 0.00 2.25 2.12 0.00 3.87 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 2.09 2.02 0.00 111 I 7.71 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.03 0.00 0.00 236 T 8.87 4.76 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 237 A 7.78 5.14 0.99 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 0.00 238 I 9.07 4.92 1.87 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 1.10 0.79 0.89 0.00 0.00 239 F 9.22 5.31 0.00 3.02 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 0.00 240 S 9.03 4.36 0.00 3.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 S 8.09 3.81 0.00 3.81 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 0.00 242 N 7.66 5.16 0.00 3.04 2.76 0.00 0.00 6.88 7.95 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 0.00 243 D 9.06 4.37 0.00 2.86 2.80 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 0.00 252 A 8.43 4.13 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 0.00 253 A 8.24 3.94 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 0.00 0.00 254 R 8.04 3.82 0.00 1.93 2.14 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 255 E 8.36 4.03 0.00 2.17 2.27 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 2.46 2.44 0.00 256 L 8.07 4.34 0.00 1.84 1.69 0.89 0.76 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 0.00 257 G 7.69 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 0.00 258 L 7.95 4.39 0.00 1.75 1.63 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 259 R 9.20 4.08 0.00 1.95 2.03 0.00 3.07 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 260 V 8.27 4.75 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 0.93 0.00 0.00 1.04 0.00 0.00 261 P 0.00 5.52 0.00 2.29 2.34 0.00 3.95 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 262 E 8.31 3.91 0.00 1.97 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 2.33 2.42 0.00 263 D 8.37 4.78 0.00 2.81 2.71 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 0.00 264 L 7.43 4.99 0.00 1.78 1.45 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 265 S 8.95 5.29 0.00 3.65 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 0.00 266 I 8.73 5.17 1.89 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 1.12 0.61 0.94 0.00 0.00 267 I 8.99 4.69 1.93 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 1.24 1.86 1.08 0.00 0.00 268 G 8.84 4.47 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 0.00 0.00 0.00 269 Y 8.70 5.15 0.00 3.33 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 0.00 270 D 10.47 4.75 0.00 2.87 3.17 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 0.00 271 N 7.94 4.12 0.00 2.74 2.85 0.00 0.00 7.24 8.02 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 0.00 272 T 8.54 4.19 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 0.00 273 P 0.00 4.26 0.00 2.13 2.10 0.00 3.53 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 2.00 2.11 0.00 274 L 7.45 3.96 0.00 1.80 1.72 0.94 0.98 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 0.00 275 A 7.82 4.08 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 0.00 276 Q 7.64 4.13 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 277 T 7.04 4.11 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 1.27 0.00 0.00 278 R 8.46 3.93 0.00 1.77 2.00 0.00 3.29 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 279 L 8.02 4.10 0.00 1.62 1.68 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 280 I 7.77 3.83 2.06 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 1.18 0.67 0.92 0.00 0.00 281 N 8.28 4.12 0.00 3.05 2.74 0.00 0.00 6.88 6.29 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 0.00 282 L 7.79 4.70 0.00 1.71 1.56 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 283 T 8.97 4.28 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 1.27 0.00 0.00 284 T 8.62 5.02 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 1.28 0.00 0.00 285 I 7.98 4.36 0.56 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 1.04 0.43 0.16 0.00 0.00 286 D 9.34 4.72 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 0.00 287 D 8.90 4.73 0.00 3.12 3.09 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 0.00 288 N 8.82 4.25 0.00 3.07 2.98 0.00 0.00 6.96 8.41 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 0.00 289 S 8.32 4.45 0.00 4.20 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 0.00 290 I 7.85 3.92 1.90 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 1.59 0.65 0.92 0.00 0.00 291 G 8.18 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 0.00 292 V 8.45 3.80 2.47 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 1.36 0.00 0.00 1.25 0.00 0.00 293 G 8.37 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 294 Y 8.10 4.02 0.00 3.23 3.19 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 0.00 295 N 8.74 4.33 0.00 3.01 2.86 0.00 0.00 7.02 8.76 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 0.00 296 A 8.37 3.93 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 0.00 297 A 7.89 3.83 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 0.00 298 L 7.68 3.77 0.00 1.72 1.61 0.74 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 299 L 7.92 3.90 0.00 1.60 1.81 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 300 L 7.82 4.02 0.00 1.66 1.71 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 301 L 7.92 4.11 0.00 1.77 1.77 1.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 302 S 7.65 4.29 0.00 4.07 4.02 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 0.00 0.00 0.00 *304 L 7.93 4.19 0.00 1.67 1.90 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *312 E 7.77 4.43 0.00 1.96 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 2.23 2.33 0.00 313 I 7.64 4.54 1.93 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 1.47 0.94 0.95 0.00 0.00 *315 H 8.79 4.78 0.00 3.11 3.60 0.00 5.57 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 316 T 7.97 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 1.26 0.00 0.00 317 L 8.91 4.71 0.00 1.69 1.65 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 318 Q 8.57 4.50 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 319 P 0.00 5.00 0.00 2.01 2.17 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.34 0.00 320 S 8.34 4.63 0.00 3.88 3.93 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 0.00 321 L 8.34 4.36 0.00 1.54 1.51 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 322 I 8.51 4.40 1.95 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 1.19 0.51 0.89 0.00 0.00 323 E 8.71 4.62 0.00 1.83 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 2.17 2.25 0.00 324 R 8.99 4.61 0.00 1.77 1.60 0.00 3.38 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 325 G 9.15 4.09 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 0.00 326 T 7.87 4.45 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 1.29 0.00 0.00 327 C 7.65 5.14 0.00 2.99 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 0.00 328 A 8.14 4.62 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 0.00 329 P 0.00 4.55 0.00 2.17 2.05 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 330 R 8.44 4.03 0.00 1.70 1.62 0.00 3.33 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 * Residues marked with a * may have inaccurate shift predictions.