NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 E 4.3280 8.4444 116.7558 55.8879 31.5331 173.9036 38 V 4.1890 8.1508 115.9621 62.3280 33.0265 173.9166 39 I 4.2525 8.1745 125.3150 58.5748 37.4490 172.2517 40 K 4.4850 8.3946 125.6572 54.2079 33.0200 176.3616 41 A 3.8974 8.3465 129.3816 50.6515 19.0572 175.1234 42 P 4.2823 0.0000 0.0000 62.3669 31.9254 176.3163 43 E 4.3339 8.3587 119.8920 55.7829 29.8473 176.8700 44 F 4.0735 9.6469 127.7279 57.9987 40.1069 174.7954 45 D 4.5102 8.2603 127.5057 52.7852 41.2556 176.7462 46 A 4.1986 8.3812 130.3309 55.0832 18.5337 178.3913 47 D 4.2050 8.0519 116.3826 57.2035 41.3570 178.2445 48 S 3.6977 8.2686 113.6193 61.1362 62.4149 175.9465 49 A 4.0673 7.6093 123.4414 55.2884 18.0639 178.7614 50 Y 3.9093 8.2716 118.2659 61.1843 38.7458 178.6301 51 Q 4.0188 8.1471 118.7464 59.1934 28.6248 178.4054 52 Y 4.5239 7.6563 117.7746 61.0397 37.8218 178.6664 53 I 3.7533 7.9153 120.9557 64.4160 37.2599 178.1998 54 Q 3.8165 8.0847 120.5806 59.1678 28.6199 178.4955 55 V 3.3338 7.8572 118.6693 65.7763 31.6494 177.8490 56 Q 4.3575 7.8963 117.8902 58.9867 28.6589 178.3913 57 A 4.0756 8.1475 121.7943 55.2118 18.1635 179.1387 58 D 4.3686 7.8015 115.9132 56.4992 40.9350 178.1404 59 F 4.4524 7.6986 117.4379 58.0355 39.2601 175.7843 60 G 3.9585 7.9974 105.0412 43.6155 0.0000 171.1940 61 P 4.3056 0.0000 0.0000 63.0899 32.1140 178.3098 62 R 4.3877 8.4433 125.0359 55.0488 28.9713 176.1429 63 V 4.2198 7.4322 119.4152 61.5430 32.8406 173.1944 64 P 3.6604 0.0000 0.0000 64.2647 31.6026 175.3762 65 N 4.2543 8.6544 117.2425 54.6890 36.0592 174.4954 66 T 4.7331 7.2464 108.1497 59.4645 72.9192 174.1347 67 Q 3.9690 8.5632 121.7449 59.2452 29.0214 178.1290 68 A 4.0695 8.0759 121.3542 55.6174 18.4222 178.9359 69 H 4.2398 8.1299 116.6031 59.1486 29.9708 177.4476 70 K 4.0510 8.2040 121.4746 59.5791 32.0880 178.6143 71 E 3.8141 8.1516 118.7662 59.5643 29.3910 178.8681 72 C 3.0607 7.5706 118.7748 62.0656 31.4518 175.6712 73 G 2.8949 7.9793 107.2384 47.6324 0.0000 175.4333 74 E 3.8595 7.9072 120.6678 59.1607 29.4495 178.6449 75 Y 4.0973 7.9570 119.5846 60.8164 38.8569 178.3922 76 L 3.5322 7.8239 119.4660 57.4711 41.6944 179.2233 77 A 3.9171 7.9016 120.9705 55.1082 18.3095 179.8284 78 G 3.4433 8.0323 104.2914 48.0614 0.0000 175.9196 79 Q 3.3130 7.6438 120.5625 58.3773 28.5955 178.8456 80 L 4.0073 7.8529 122.4061 58.1762 41.5467 180.1995 81 E 3.8189 8.0024 118.3107 61.0329 29.5286 181.5359 82 K 4.0426 8.0227 119.9581 59.0630 32.0804 177.5644 83 F 5.6247 7.3085 117.5066 56.8324 39.4575 176.9464 84 G 3.9653 8.2019 106.0794 45.4365 0.0000 174.4779 85 A 3.3018 7.4801 121.2740 50.9296 19.4424 177.7427 86 K 3.9662 8.7509 122.7106 56.0153 33.1036 176.1807 87 V 4.2265 8.1943 128.4818 62.6298 32.6640 174.6302 *88 Y 4.5861 9.3532 128.0063 56.8503 40.6853 174.7325 89 N 4.8751 8.8206 123.9002 51.4884 39.4966 171.3566 90 Q 4.5762 8.9680 127.0730 53.5017 29.5435 172.8757 91 Y 4.9353 8.3363 120.8788 57.3320 39.2803 174.4544 92 A 4.5174 8.6323 123.4794 50.8746 23.3445 175.2295 93 D 4.9497 8.6547 121.2515 53.5123 41.6249 175.8158 94 L 4.6302 8.4214 124.7363 52.8278 44.0962 176.0259 95 I 4.4883 8.2999 125.0218 60.4426 38.0818 176.1241 96 A 4.3680 8.8602 131.5449 50.8233 19.6216 177.3895 97 Y 4.1202 8.7217 117.1851 59.8201 37.7342 177.1239 98 D 4.3333 6.9611 116.9194 52.6104 39.6024 177.0784 99 G 3.8675 7.8689 108.4656 45.3466 0.0000 174.2105 100 T 3.8819 7.7308 117.7336 63.5997 69.5270 173.7861 101 I 4.3458 8.2196 127.7516 60.3172 37.8261 175.3765 102 L 4.1060 8.6611 129.3993 53.9812 42.6083 177.3728 103 K 4.8599 8.9695 125.6545 55.8697 30.5055 176.5603 104 S 4.6408 8.8591 119.2417 57.7911 64.5100 173.1129 105 R 4.3303 9.5940 125.7941 55.0532 31.8020 173.8098 106 N 5.0349 9.0202 124.6490 53.0060 40.3593 174.2982 107 I 4.6773 8.8008 123.7877 59.4805 40.3137 174.5895 108 I 4.5414 8.8631 127.8764 59.1286 40.9576 174.6766 109 G 4.0567 9.1290 113.7407 44.2943 0.0000 171.4253 110 A 5.3055 8.6194 128.2766 50.3378 21.3157 174.9428 111 Y 4.5772 9.1965 121.6783 57.2007 41.5658 176.3560 112 K 4.0756 8.6366 122.1580 55.2595 28.6646 172.9035 113 P 4.4803 0.0000 0.0000 65.4650 32.1713 179.0628 114 E 4.0623 8.1849 114.0174 58.5505 29.8303 182.8463 115 S 4.2794 7.9030 116.8139 58.4201 62.5991 174.9176 116 K 4.0512 8.6094 129.7765 57.0445 32.0691 173.5351 117 K 4.3453 7.7018 117.2145 56.5436 32.7413 176.7773 118 R 5.1858 8.3831 122.9883 54.6163 35.3499 174.0051 119 I 4.5766 8.3767 121.5055 59.3895 40.3482 174.4586 120 L 4.9225 8.5857 128.9353 54.0048 43.8721 175.0752 121 L 5.4358 9.1470 125.9915 53.1292 45.1413 175.3675 122 C 5.4641 9.3605 117.1427 56.9755 33.7866 172.3802 123 A 5.0222 8.1914 118.2543 51.6141 22.0324 174.8943 124 H 5.6658 8.8213 115.5118 54.4308 30.6062 175.4853 125 W 4.8481 8.9310 116.8209 56.5670 29.5739 175.6789 126 D 4.5547 7.8111 120.0343 53.2365 40.1487 175.4259 127 S 4.9728 8.5168 115.0502 56.4860 66.0450 174.3890 128 R 4.2479 8.5095 121.9168 55.4111 30.5324 175.8784 129 P 4.1990 0.0000 0.0000 63.0517 30.9760 178.0985 *150 G 3.9006 8.0148 106.8050 44.8009 0.0000 175.4896 151 A 4.5031 8.3150 123.2943 53.8162 18.3252 179.7609 152 S 4.1635 8.0716 112.0850 61.6160 63.1994 176.8044 153 G 3.6003 8.0266 109.3115 47.2575 0.0000 175.6151 154 V 3.5767 7.6763 120.7182 65.5594 31.6298 178.2329 155 G 3.8138 8.7014 105.7859 47.9856 0.0000 175.7481 156 V 4.0542 8.0012 120.8112 65.9216 31.5143 178.1799 157 L 4.1635 8.1978 118.7717 57.6646 41.4255 179.4900 158 L 4.1386 8.3801 119.2621 57.8582 41.6859 179.1514 159 E 4.0476 8.4228 118.9219 59.3321 29.4361 178.8961 160 I 3.8420 8.2559 119.8741 64.1421 37.0552 178.1147 161 A 3.8259 8.3413 122.0859 55.2749 18.3992 179.5854 162 R 3.0441 7.6444 117.0254 59.5006 29.9188 178.7780 163 Q 3.9564 7.8273 117.3729 58.7616 28.4472 178.6091 164 I 3.7546 7.5509 120.4821 64.2102 37.3259 177.7081 165 Q 4.1715 8.0661 120.5793 59.3065 28.6360 178.8417 166 K 4.2051 7.5287 117.5388 57.9373 32.2156 177.2119 167 E 4.4718 8.2411 120.9598 54.6789 31.5572 174.3486 168 Q 4.1146 8.5974 126.3834 54.5938 29.5592 174.6394 169 P 4.2457 0.0000 0.0000 61.7142 32.5458 176.4374 170 A 4.0361 8.3487 120.6564 55.3975 18.3079 178.2913 171 L 4.3062 7.5092 113.6294 54.1333 43.0179 177.1815 172 G 3.8627 8.8037 108.5737 46.4183 0.0000 172.6799 173 I 5.1755 8.2530 122.3928 59.2810 40.7245 174.1953 174 D 5.3783 8.8271 125.7700 52.6070 43.8397 175.0228 175 I 4.6255 8.8020 124.9498 59.5794 39.5139 174.7870 176 V 4.0496 8.1399 127.6052 60.7410 34.1955 174.1219 177 F 5.2979 8.6143 127.5651 56.1027 40.5864 175.1751 178 F 5.2180 9.1678 124.2842 57.3439 40.3403 175.2608 179 D 4.5270 9.7582 123.2143 52.2445 44.1947 175.5555 180 S 3.9021 7.9784 113.0959 59.5503 60.4684 174.2641 181 E 4.3209 8.7209 121.7144 57.4276 30.2114 176.0191 182 D 5.6481 8.3006 117.4414 54.4530 41.7548 175.1134 183 Y 4.4467 8.3027 117.0459 57.2960 40.4857 175.6280 *195 Q 4.5568 7.8605 116.3547 56.9882 30.4798 176.5419 196 D 4.5604 8.4062 116.3442 56.1237 40.8948 176.8596 197 T 4.2059 7.6501 108.7544 61.6444 69.4101 174.9768 198 W 4.6100 7.8917 122.1820 56.2568 30.9450 174.8760 199 C 4.1589 8.8854 114.4248 61.1106 25.8090 176.0106 200 L 4.0874 8.1921 121.0805 57.6161 41.4820 179.4116 201 G 3.9445 8.2545 107.0298 47.3132 0.0000 175.8641 202 S 3.8192 7.7610 116.4050 60.8509 63.1583 176.2527 203 Q 3.9099 7.9195 121.6748 58.8210 28.4044 178.3018 204 Y 3.9084 8.1493 120.2958 60.4059 38.6287 177.8500 205 W 4.1660 8.9448 129.2898 60.5236 30.6725 177.7375 206 A 3.6846 8.9217 122.4452 55.6541 17.9466 179.8620 207 R 4.2205 7.5190 118.0014 60.4280 30.2996 179.3330 208 T 4.4280 7.1318 111.1322 58.1271 67.9382 171.6135 209 P 3.6033 0.0000 0.0000 61.9382 32.1113 177.2458 210 H 4.5156 8.7315 114.3365 57.7558 28.7569 175.9868 211 V 4.5075 6.8135 110.0859 59.0965 34.9428 174.9688 212 Q 4.0463 8.6247 124.3107 57.7605 29.1791 176.6084 213 N 4.3160 8.8499 117.0608 52.9104 35.1082 172.4083 214 Y 4.1155 7.2916 118.1239 59.2790 39.1258 175.4076 215 N 4.7791 7.4166 123.0505 51.9738 42.3579 172.9262 216 A 4.5751 7.9350 123.8543 50.1274 22.5413 176.3338 217 R 4.0456 8.8952 122.2474 59.3193 30.3592 175.9106 218 Y 4.9507 7.0125 113.1403 56.4525 41.2943 172.8613 219 G 4.6859 9.4809 106.1504 44.4914 0.0000 171.9619 220 I 5.1734 9.0393 122.3352 59.2539 40.5828 174.1888 221 L 5.1353 9.4303 129.9966 53.5154 44.0947 174.8497 222 L 5.0828 9.0047 126.8139 52.4870 43.4049 176.5620 223 D 4.7028 8.5243 126.0845 53.1174 40.7197 176.4241 *225 V 4.1262 7.7210 107.2078 61.1467 33.9826 178.0162 226 G 4.1046 8.2826 106.9870 45.8768 0.0000 174.0714 227 G 4.1423 8.0917 108.7944 45.5547 0.0000 173.2074 228 K 4.2487 8.5358 125.2685 57.1821 32.8058 176.2460 229 D 4.2912 9.1199 126.1425 54.9473 38.6362 173.9250 230 A 4.0719 7.7388 120.2239 52.4922 19.1845 177.5993 231 T 4.3023 8.6009 109.9995 59.9387 72.0956 173.1021 232 F 5.3842 8.7744 126.9487 56.4564 39.9635 175.4432 233 Y 5.1995 8.9007 121.4781 55.9092 40.1369 175.2012 234 Y 4.0236 8.6560 118.9229 58.1549 38.7396 175.8665 235 E 4.4576 8.9225 126.4362 55.5296 30.9178 177.1464 236 G 3.8081 9.0494 114.2859 48.4269 0.0000 175.3432 237 Y 4.0303 8.3525 121.8957 60.3033 38.9769 177.8470 238 S 4.1900 9.2946 116.2115 61.7677 62.7794 176.4406 239 A 4.0946 8.1310 121.7698 53.5040 18.2314 178.5286 240 R 4.3189 7.1853 111.4163 56.2265 30.8350 177.2195 241 T 4.3349 7.4952 108.3255 61.5519 70.7014 174.5051 242 A 4.9625 8.2548 125.7187 50.6215 19.5483 178.2282 243 R 3.5129 8.0686 122.2787 60.2217 31.0500 178.6617 244 S 4.1451 8.2391 111.9465 61.7158 62.2041 176.9359 245 E 3.5956 7.5605 119.1198 57.4770 28.5264 179.5870 *247 K 4.3161 8.0829 123.1704 54.5229 34.3813 181.2621 248 K 4.0162 8.0748 119.3815 59.6935 32.0646 179.0636 249 I 3.7673 7.8043 119.8262 64.3775 37.2037 178.5941 250 W 4.0895 8.7788 119.3727 59.3043 28.9484 178.2823 251 K 3.9550 8.5685 120.0745 59.5729 31.6979 178.7608 252 K 4.1846 8.4098 120.8803 58.7862 32.0227 178.4739 253 A 3.9835 7.6418 122.4155 54.8546 18.2147 179.3568 254 H 4.0345 8.1709 114.2789 59.1808 28.9284 177.8643 255 E 3.9987 8.2538 120.2786 59.2920 29.0742 178.8560 256 L 4.2590 7.7944 116.7309 55.1923 41.9666 177.8175 257 G 3.7665 7.7929 107.2999 45.5664 0.0000 173.2381 258 Y 5.0834 8.0659 116.7682 57.7027 38.1540 178.1353 259 G 3.3077 8.2369 114.8943 48.9044 0.0000 177.1393 260 K 3.7070 8.1441 120.5366 57.5359 31.9583 181.3236 261 Y 4.3509 8.1816 115.7746 58.7842 38.2914 174.7731 262 F 4.5901 7.5188 118.9621 55.5398 38.0914 173.6168 263 V 3.6567 8.1943 124.5682 61.7280 32.1435 176.1599 264 K 3.6028 8.2261 131.0714 54.8530 29.5978 176.1169 265 E 4.7964 6.8629 120.2778 54.3630 35.0223 175.5413 266 D 4.8891 9.0368 123.0394 54.0003 41.1686 175.9142 267 G 3.5497 9.3663 112.6904 46.2544 0.0000 174.6554 268 G 4.0092 7.1930 113.7223 44.6142 0.0000 170.9931 269 E 5.1740 8.5090 120.5459 54.3780 31.1848 174.9178 270 T 4.6177 8.8476 120.4837 59.7333 70.2849 173.5359 271 V 3.6666 8.2438 127.8983 61.5568 32.1756 174.7338 272 D 4.6006 8.0821 122.3480 51.9991 44.3316 175.2191 273 D 4.6134 9.1092 122.0546 56.9691 40.5333 178.7271 274 H 4.4067 8.5199 115.2723 58.5911 28.1938 177.5741 275 I 2.7031 6.9294 121.8482 64.0749 36.9653 177.7413 276 Y 4.1611 7.4951 116.7632 61.2115 37.8076 178.0184 277 V 4.0323 7.9352 119.3613 66.5517 31.7443 177.6704 278 N 5.0692 8.4172 117.6301 55.5721 38.4741 176.0922 279 K 4.3077 8.6416 121.7742 59.2227 33.1381 179.2225 280 L 4.1862 8.0410 121.1211 58.4659 41.1345 179.4758 281 A 4.5939 7.7443 118.8272 51.2538 20.6969 176.3354 282 R 4.4107 7.7049 111.1070 56.3755 28.6130 176.7681 283 I 4.5477 7.3095 117.8145 59.1347 40.0122 173.9094 284 P 4.7220 0.0000 0.0000 63.5488 32.2298 174.8395 285 C 5.3199 8.6636 122.1212 57.9302 34.8017 172.7833 286 V 4.3121 9.0748 126.8773 61.7037 32.9330 173.8767 287 D 5.0778 9.3619 128.9165 53.4121 42.1809 175.7842 288 I 4.6419 9.0993 128.6541 60.1159 38.2191 174.6155 289 I 5.8819 8.3298 126.5803 58.0596 41.0401 174.1680 290 N 4.7060 9.3642 128.3227 54.1946 39.5876 173.1184 291 Y 4.8248 8.8741 129.3363 56.3373 41.2378 175.4585 292 D 4.2187 8.2471 129.8069 54.8028 40.6682 173.0018 *313 N 4.8949 8.8090 119.6147 52.9990 40.5010 174.9994 314 I 4.3873 7.8426 119.6902 61.2838 37.9818 174.9506 315 D 4.9166 9.5308 126.7430 51.9893 43.8049 176.7942 316 R 4.0802 8.9329 124.8925 59.4745 30.1642 178.7951 317 N 4.3895 8.3601 116.2974 56.5428 38.5033 177.6441 318 T 3.2087 8.0105 116.6274 66.3654 68.6937 176.5405 319 L 3.9239 7.8080 120.8703 57.7001 41.5910 179.6001 320 K 3.9121 8.1324 119.1984 59.3509 32.0346 178.6997 321 A 2.5800 7.3192 120.9473 54.4074 18.1325 179.8873 322 V 3.5654 7.3463 116.7335 65.9835 31.4336 178.5216 323 G 2.1085 7.2983 104.2696 47.3487 0.0000 175.1202 324 Q 4.0574 7.4356 121.4067 58.9132 28.9423 178.0438 325 T 3.9879 7.3385 116.9829 66.4106 68.3148 177.7100 326 V 3.6088 7.4440 117.2084 63.7609 31.1609 177.2016 *328 D 4.5536 8.0532 118.5958 53.9276 42.8944 177.9972 329 V 3.7962 8.1724 118.7377 66.1156 31.5636 178.2583 330 I 3.8327 8.2027 113.2018 64.1844 37.2943 177.5736 331 Y 4.0361 8.1627 116.7460 60.1610 37.8739 177.0214 332 N 4.6509 7.8901 116.1291 53.5914 39.1260 175.1409 333 E 4.2041 7.6785 123.4434 56.6119 30.2264 177.6778 334 K 4.2285 8.4906 123.8220 54.7318 32.8650 173.1750 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 37 E 8.44 4.33 0.00 2.01 1.84 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 2.13 1.88 0.00 38 V 8.15 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 0.98 0.00 0.00 0.94 0.00 0.00 39 I 8.17 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.91 0.00 0.00 40 K 8.39 4.49 0.00 1.94 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 0.99 7.81 41 A 8.35 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.28 0.00 1.87 1.89 0.00 2.53 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.09 0.00 43 E 8.36 4.33 0.00 1.94 1.91 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 2.29 2.23 0.00 44 F 9.65 4.07 0.00 2.90 3.02 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 45 D 8.26 4.51 0.00 2.58 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 46 A 8.38 4.20 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.05 4.20 0.00 2.72 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 48 S 8.27 3.70 0.00 3.80 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 49 A 7.61 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.27 3.91 0.00 3.14 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 51 Q 8.15 4.02 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 52 Y 7.66 4.52 0.00 3.25 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 53 I 7.92 3.75 1.83 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 1.60 0.79 0.80 0.00 0.00 54 Q 8.08 3.82 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 55 V 7.86 3.33 1.94 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 -0.08 0.00 0.00 0.93 0.00 0.00 56 Q 7.90 4.36 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 57 A 8.15 4.08 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 58 D 7.80 4.37 0.00 2.44 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 0.00 0.00 0.00 0.00 59 F 7.70 4.45 0.00 3.23 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 60 G 8.00 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 0.00 0.00 0.00 61 P 0.00 4.31 0.00 2.10 2.06 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 2.06 2.15 0.00 62 R 8.44 4.39 0.00 2.01 1.94 0.00 3.47 0.00 0.00 3.67 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 63 V 7.43 4.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 64 P 0.00 3.66 0.00 1.87 1.70 0.00 4.08 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 65 N 8.65 4.25 0.00 2.84 2.90 0.00 0.00 6.78 7.54 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 66 T 7.25 4.73 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 67 Q 8.56 3.97 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.00 0.00 68 A 8.08 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.13 4.24 0.00 3.18 3.51 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.20 4.05 0.00 1.97 1.96 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.57 7.81 71 E 8.15 3.81 0.00 1.82 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 2.37 2.39 0.00 72 C 7.57 3.06 0.00 2.50 2.92 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 73 G 7.98 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 0.00 0.00 0.00 74 E 7.91 3.86 0.00 2.18 1.99 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 2.33 2.47 0.00 75 Y 7.96 4.10 0.00 3.18 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 76 L 7.82 3.53 0.00 1.40 1.49 0.17 0.34 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 77 A 7.90 3.92 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 78 G 8.03 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.64 3.31 0.00 1.59 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 80 L 7.85 4.01 0.00 1.66 1.57 0.48 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.00 3.82 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 82 K 8.02 4.04 0.00 1.51 1.50 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.44 7.81 83 F 7.31 5.62 0.00 3.09 2.92 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 84 G 8.20 3.97 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 93 D 8.65 4.95 0.00 2.55 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 94 L 8.42 4.63 0.00 1.48 1.49 0.90 0.30 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 95 I 8.30 4.49 1.83 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 1.24 0.30 0.85 0.00 0.00 96 A 8.86 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.72 4.12 0.00 3.04 3.01 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 98 D 6.96 4.33 0.00 2.47 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 99 G 7.87 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 0.00 0.00 0.00 100 T 7.73 3.88 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 1.06 0.00 0.00 101 I 8.22 4.35 1.81 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 1.29 0.42 0.85 0.00 0.00 102 L 8.66 4.11 0.00 1.43 1.34 0.48 -0.44 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 0.00 103 K 8.97 4.86 0.00 1.69 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.51 7.81 104 S 8.86 4.64 0.00 3.96 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 0.00 105 R 9.59 4.33 0.00 1.73 2.03 0.00 3.22 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 0.00 106 N 9.02 5.03 0.00 2.93 2.85 0.00 0.00 6.59 7.68 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 0.00 107 I 8.80 4.68 1.81 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 0.72 0.00 0.00 108 I 8.86 4.54 1.58 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 0.89 0.47 0.42 0.00 0.00 109 G 9.13 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 0.00 0.00 0.00 110 A 8.62 5.31 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 0.00 111 Y 9.20 4.58 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.64 4.08 0.00 1.78 1.75 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.01 7.81 113 P 0.00 4.48 0.00 2.04 2.16 0.00 3.65 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 2.04 0.00 114 E 8.18 4.06 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 115 S 7.90 4.28 0.00 3.86 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 0.00 116 K 8.61 4.05 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.03 7.81 117 K 7.70 4.35 0.00 1.73 1.76 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.40 7.81 118 R 8.38 5.19 0.00 1.64 1.85 0.00 3.15 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 119 I 8.38 4.58 1.70 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.75 0.56 0.00 0.00 120 L 8.59 4.92 0.00 2.00 1.64 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.15 5.44 0.00 1.59 1.52 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 122 C 9.36 5.46 0.00 2.57 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 0.00 123 A 8.19 5.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.82 5.67 0.00 3.53 3.87 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.93 4.85 0.00 3.21 2.97 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 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3.58 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 0.27 0.00 0.00 0.74 0.00 0.00 155 G 8.70 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 0.00 156 V 8.00 4.05 2.31 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 1.09 0.00 0.00 1.07 0.00 0.00 157 L 8.20 4.16 0.00 2.23 1.91 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.38 4.14 0.00 1.80 1.34 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.42 4.05 0.00 2.16 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 1.47 1.64 0.00 160 I 8.26 3.84 2.12 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 1.68 1.02 0.97 0.00 0.00 161 A 8.34 3.83 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 7.64 3.04 0.00 0.67 1.68 0.00 3.00 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.00 163 Q 7.83 3.96 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 164 I 7.55 3.75 1.19 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.49 0.09 0.00 0.00 165 Q 8.07 4.17 0.00 2.31 2.25 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 2.42 2.53 0.00 166 K 7.53 4.21 0.00 2.16 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.32 7.81 167 E 8.24 4.47 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 168 Q 8.60 4.11 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 169 P 0.00 4.25 0.00 1.71 0.55 0.00 3.48 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 0.00 170 A 8.35 4.04 1.28 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 0.00 179 D 9.76 4.53 0.00 3.15 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 0.00 180 S 7.98 3.90 0.00 4.01 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 0.00 181 E 8.72 4.32 0.00 2.03 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 2.40 2.62 0.00 182 D 8.30 5.65 0.00 2.69 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 0.00 183 Y 8.30 4.45 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *195 Q 7.86 4.56 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 196 D 8.41 4.56 0.00 2.74 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 0.00 197 T 7.65 4.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 198 W 7.89 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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 0.00 0.00 0.00 0.00 207 R 7.52 4.22 0.00 1.96 1.88 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 208 T 7.13 4.43 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 1.01 0.00 0.00 209 P 0.00 3.60 0.00 2.10 1.06 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.28 0.00 210 H 8.73 4.52 0.00 3.34 3.62 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 V 6.81 4.51 2.10 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 0.89 0.00 0.00 1.03 0.00 0.00 212 Q 8.62 4.05 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.51 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 213 N 8.85 4.32 0.00 2.92 2.81 0.00 0.00 6.67 7.55 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 0.00 214 Y 7.29 4.12 0.00 3.02 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 N 7.42 4.78 0.00 2.51 2.42 0.00 0.00 6.83 7.96 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 0.00 216 A 7.93 4.58 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 0.00 217 R 8.90 4.05 0.00 1.70 1.94 0.00 3.50 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.69 0.00 218 Y 7.01 4.95 0.00 3.26 3.05 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 0.00 219 G 9.48 4.69 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 0.00 0.00 0.00 220 I 9.04 5.17 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 1.04 0.00 0.00 221 L 9.43 5.14 0.00 1.88 1.76 1.18 0.69 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 0.00 222 L 9.00 5.08 0.00 1.54 1.56 0.92 0.93 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 0.00 223 D 8.52 4.70 0.00 2.77 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 *225 V 7.72 4.13 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 0.53 0.00 0.00 0.91 0.00 0.00 226 G 8.28 4.10 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 0.00 0.00 0.00 227 G 8.09 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 0.00 228 K 8.54 4.25 0.00 1.85 1.77 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 229 D 9.12 4.29 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 A 7.74 4.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 T 8.60 4.30 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 1.23 0.00 0.00 232 F 8.77 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0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 241 T 7.50 4.33 4.08 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 0.42 0.00 0.00 242 A 8.25 4.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 R 8.07 3.51 0.00 1.66 1.79 0.00 3.17 0.00 0.00 3.02 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 244 S 8.24 4.15 0.00 3.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 E 7.56 3.60 0.00 1.99 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 1.90 1.81 0.00 *247 K 8.08 4.32 0.00 1.71 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 248 K 8.07 4.02 0.00 1.95 2.00 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.48 7.81 249 I 7.80 3.77 2.34 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.58 0.94 0.00 0.00 250 W 8.78 4.09 0.00 3.58 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 K 8.57 3.96 0.00 2.06 2.11 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 252 K 8.41 4.18 0.00 1.92 1.87 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.33 7.81 253 A 7.64 3.98 0.74 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 0.00 0.00 254 H 8.17 4.03 0.00 3.39 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 E 8.25 4.00 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 256 L 7.79 4.26 0.00 1.60 1.37 1.07 0.86 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 7.79 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 0.00 0.00 0.00 258 Y 8.07 5.08 0.00 3.20 3.14 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 0.00 259 G 8.24 3.31 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 0.00 260 K 8.14 3.71 0.00 1.79 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.05 7.81 261 Y 8.18 4.35 0.00 3.34 2.88 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 0.00 262 F 7.52 4.59 0.00 2.91 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 0.00 0.00 0.00 0.00 263 V 8.19 3.66 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 0.00 0.00 0.40 0.00 0.00 0.64 0.00 0.00 264 K 8.23 3.60 0.00 1.61 1.68 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.62 1.50 7.81 265 E 6.86 4.80 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 2.30 2.24 0.00 266 D 9.04 4.89 0.00 2.61 2.64 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 0.00 267 G 9.37 3.55 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 0.00 268 G 7.19 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 0.00 269 E 8.51 5.17 0.00 1.94 1.86 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 2.24 2.50 0.00 270 T 8.85 4.62 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 1.34 0.00 0.00 271 V 8.24 3.67 2.06 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 0.50 0.00 0.00 1.00 0.00 0.00 272 D 8.08 4.60 0.00 2.72 2.70 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 0.00 273 D 9.11 4.61 0.00 2.92 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 0.00 274 H 8.52 4.41 0.00 3.64 3.66 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 I 6.93 2.70 1.10 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.24 -0.05 0.00 0.00 276 Y 7.50 4.16 0.00 3.03 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 0.00 277 V 7.94 4.03 2.34 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 1.36 0.00 0.00 1.35 0.00 0.00 278 N 8.42 5.07 0.00 3.17 3.22 0.00 0.00 6.69 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 K 8.64 4.31 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.59 7.81 280 L 8.04 4.19 0.00 1.74 1.59 0.92 0.68 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 0.00 281 A 7.74 4.59 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 0.00 282 R 7.70 4.41 0.00 2.05 2.22 0.00 2.75 0.00 0.00 3.88 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 283 I 7.31 4.55 2.12 0.00 0.00 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 1.58 1.59 1.10 0.00 0.00 284 P 0.00 4.72 0.00 2.18 2.35 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 285 C 8.66 5.32 0.00 3.30 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 0.00 286 V 9.07 4.31 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 1.06 0.00 0.00 0.97 0.00 0.00 287 D 9.36 5.08 0.00 2.11 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.10 4.64 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.90 0.16 0.00 0.00 289 I 8.33 5.88 2.17 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 1.36 0.75 1.11 0.00 0.00 290 N 9.36 4.71 0.00 2.89 2.81 0.00 0.00 6.83 7.54 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 0.00 291 Y 8.87 4.82 0.00 2.98 2.88 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 0.00 292 D 8.25 4.22 0.00 2.50 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *313 N 8.81 4.89 0.00 2.43 2.89 0.00 0.00 6.77 7.74 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 0.00 314 I 7.84 4.39 1.85 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 1.21 1.10 0.90 0.00 0.00 315 D 9.53 4.92 0.00 2.69 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 0.00 316 R 8.93 4.08 0.00 1.88 1.98 0.00 3.00 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 317 N 8.36 4.39 0.00 3.09 3.03 0.00 0.00 6.98 7.02 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 0.00 318 T 8.01 3.21 4.39 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 1.35 0.00 0.00 319 L 7.81 3.92 0.00 2.00 1.94 1.16 0.91 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 0.00 320 K 8.13 3.91 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.45 7.81 321 A 7.32 2.58 0.59 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 0.00 322 V 7.35 3.57 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 0.75 0.00 0.00 0.56 0.00 0.00 323 G 7.30 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 0.00 0.00 0.00 0.00 0.00 0.00 324 Q 7.44 4.06 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 325 T 7.34 3.99 4.07 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 0.66 0.00 0.00 326 V 7.44 3.61 2.01 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 1.16 0.00 0.00 0.93 0.00 0.00 *328 D 8.05 4.55 0.00 2.83 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 0.00 329 V 8.17 3.80 2.33 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 1.21 0.00 0.00 1.01 0.00 0.00 330 I 8.20 3.83 1.81 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 1.82 0.41 0.98 0.00 0.00 331 Y 8.16 4.04 0.00 2.91 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 0.00 332 N 7.89 4.65 0.00 3.00 2.92 0.00 0.00 7.01 7.85 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 0.00 333 E 7.68 4.20 0.00 2.06 1.91 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 2.62 2.44 0.00 334 K 8.49 4.23 0.00 1.72 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.