NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4820 8.3144 120.0117 56.9653 33.5970 174.4709 3 E 4.1382 7.1880 119.7675 58.0387 30.7740 174.6039 4 K 4.7111 8.1595 121.0055 56.6587 34.3710 175.6672 5 L 4.2278 8.1489 120.9357 54.3498 46.2032 173.2991 6 V 4.5414 7.7592 124.5188 60.8450 34.5202 173.9653 7 A 5.0607 8.1913 127.4407 50.1224 21.9025 175.4683 8 I 4.4782 8.7359 122.8472 59.8147 39.8801 175.2963 9 V 4.4184 9.8330 120.6311 58.5934 35.1257 175.1315 10 G 4.6797 8.3007 110.7975 43.2093 0.0000 170.6500 11 P 4.5816 0.0000 0.0000 62.1345 31.3290 176.1359 12 T 4.0047 8.3193 107.9836 62.6970 69.2858 174.6726 13 A 3.7989 8.6327 123.9263 53.2639 16.0004 179.0196 14 V 4.0125 7.2023 111.7414 62.6126 32.3079 177.2712 15 G 4.3557 8.5603 109.0984 45.6051 0.0000 175.5760 16 K 3.9158 8.5920 120.2722 59.7517 31.9218 178.9466 17 T 3.8634 7.9010 114.9916 66.5644 68.2386 176.1696 18 K 3.8217 8.0086 119.5852 59.9321 32.3223 178.2469 19 T 4.1693 8.1436 108.8419 64.8899 68.7811 175.8137 20 S 4.2154 8.3604 116.1478 61.1833 62.5405 178.7404 21 V 3.6061 7.8577 115.1661 61.2802 31.2756 178.4241 *23 L 4.1347 8.0141 120.1297 54.7974 44.0015 179.2755 24 A 3.5025 7.5123 121.2503 55.0121 18.3109 179.9035 25 K 4.0236 7.6800 113.7820 59.0955 32.1927 178.6054 26 R 4.2602 7.6564 116.1834 57.2627 30.5025 176.7095 27 L 4.6916 7.7355 117.4419 54.4786 43.3096 176.3089 28 N 4.0587 8.2962 113.3257 54.8327 36.8891 171.8954 29 G 4.7924 8.1146 105.0803 44.4959 0.0000 171.1961 30 E 4.8994 8.7133 118.6902 54.3038 33.2307 175.4463 31 V 4.6677 8.2727 123.1844 61.6442 33.6582 174.5644 32 I 4.7851 8.8555 128.9931 59.3649 39.2588 175.0390 33 S 4.6809 8.6954 123.4736 58.5120 62.2356 174.1010 34 G 4.0321 9.1145 112.2835 45.5415 0.0000 172.6811 35 D 4.4652 7.8963 120.4407 53.3170 40.3596 176.8776 36 S 4.2644 8.1725 128.8436 58.0926 62.9151 176.5392 *38 Q 4.2912 8.0902 120.0706 57.0459 30.9815 178.4841 39 V 3.3356 7.4387 111.6689 64.0967 31.6187 175.2234 40 Y 4.5544 7.4153 118.0473 57.2943 36.6536 175.3571 41 R 4.7224 7.5913 121.2912 56.7908 30.3322 176.7326 42 G 3.6556 8.3972 104.6726 46.5861 0.0000 174.0620 *44 D 4.7154 7.8767 119.0246 54.2288 43.5158 178.9049 45 I 3.7316 8.1871 119.5793 64.3088 37.3004 178.7219 46 G 3.3067 8.8297 107.4466 47.3200 0.0000 174.2993 47 T 4.2329 8.0161 107.4599 60.8060 69.7019 174.1887 48 A 3.6551 7.5736 123.9361 52.4418 16.4858 177.6990 49 K 4.6214 7.8369 120.2440 57.2565 32.7191 176.2012 50 I 3.8351 8.5142 126.6202 61.3745 38.0395 175.3524 51 T 4.3794 9.0497 117.7992 60.0634 70.2562 175.6933 52 A 4.1127 8.3959 125.0089 55.1964 18.6464 178.7349 53 E 4.0042 7.5282 118.0773 59.2828 30.2505 179.7357 54 E 4.2196 7.7773 118.5770 55.8386 29.3443 176.7202 *56 D 4.6839 6.9857 121.3746 55.6442 41.9440 175.7671 57 G 3.9322 8.6333 106.2534 44.7303 0.0000 172.6841 58 V 3.7744 7.5291 120.7622 61.3601 32.1003 173.7998 59 P 4.5200 0.0000 0.0000 63.2573 32.3604 174.9617 60 H 5.5142 8.7647 119.0697 54.4292 32.2030 172.3679 61 H 4.8740 8.7525 116.9755 54.1643 33.1679 173.4093 62 L 3.7476 8.6763 115.9808 56.1501 38.6748 174.7019 63 I 4.5110 7.4335 117.8515 60.6747 40.6259 175.5763 64 D 4.5432 8.5900 125.3210 56.0701 38.3823 174.5831 65 I 4.4464 7.6105 108.7202 60.5056 39.3126 175.8186 66 K 4.7617 7.2805 119.6217 54.9941 36.3066 175.1014 67 D 4.9140 9.2320 121.7072 53.0588 41.5313 176.2064 68 P 3.8947 0.0000 0.0000 65.5079 31.0943 177.5780 69 S 4.1960 7.9394 111.9751 59.7641 63.5190 173.8445 70 E 4.5173 8.0797 121.0972 55.1921 30.8795 174.7991 71 S 5.2202 8.3624 112.6325 56.0181 65.7419 174.1102 72 F 4.9266 8.6246 122.5240 55.4356 39.5523 174.7412 73 S 4.4489 9.8024 123.3182 57.1792 65.2627 175.4605 74 V 2.6490 8.1424 121.5741 64.1855 30.8111 178.3891 75 A 3.8699 7.6592 121.3763 55.1925 18.5182 178.9587 76 D 4.1522 7.7120 117.4395 57.3214 40.6996 178.9894 77 F 4.1174 7.2492 120.8633 61.3233 39.5586 176.8797 78 Q 3.5505 7.8050 119.0981 59.3470 28.5742 178.1818 79 D 4.3676 8.1378 118.8388 56.4787 40.9241 177.7233 80 L 4.4002 7.2019 117.2761 55.8748 42.6403 178.7388 81 A 3.7279 8.1439 121.2971 55.2688 18.0780 179.6779 82 T 3.7818 7.4701 113.7853 66.5573 68.6225 175.1792 83 P 4.2591 0.0000 0.0000 65.4740 31.3225 178.7275 84 L 3.9938 7.6807 118.1852 57.5731 41.3560 179.4760 85 I 3.6463 7.6794 119.8848 64.7464 36.8326 178.6629 86 T 4.0650 7.4662 115.2848 66.6871 68.4436 176.4447 87 E 4.1253 8.3172 120.5553 59.3787 29.3043 179.4292 88 I 3.6988 8.2099 120.3209 64.8062 37.1728 178.2337 89 H 4.4449 8.0641 116.6497 58.8146 28.2121 177.7063 90 E 4.0351 7.7289 119.9515 59.4014 29.3402 179.1932 91 R 4.1438 7.6806 117.0967 57.3304 30.2888 177.6483 92 G 4.0578 7.8582 105.5762 44.8991 0.0000 173.8882 93 R 4.6370 7.5581 118.0200 55.8053 31.7785 175.4958 94 L 4.6076 8.6872 123.4007 52.8252 43.5255 173.9172 95 P 4.7040 0.0000 0.0000 62.9165 33.0444 175.3130 96 F 4.8103 9.1352 121.5602 55.5252 41.9327 174.2685 97 L 4.7456 8.8804 128.3009 54.5286 43.0421 175.6362 98 V 4.3437 8.9622 128.2256 62.2228 33.1258 176.5852 99 G 3.9477 9.2247 119.5727 44.8566 0.0000 172.6264 100 G 3.7125 8.7310 104.8837 44.6703 0.0000 173.6980 101 T 4.1821 7.6734 109.4830 60.6948 71.2306 175.7748 102 G 2.0000 7.5793 107.6462 46.8529 0.0000 175.6415 103 L 3.9982 7.2497 122.0813 58.3164 42.2240 178.0607 104 Y 4.0819 7.9709 116.2045 61.4709 37.8288 179.5323 105 V 3.7588 7.7661 112.5402 64.6008 31.3102 178.4874 106 N 4.2801 8.1786 115.5317 56.0483 38.3247 177.3339 107 A 2.9426 7.7291 122.3243 54.1236 18.3281 179.8236 108 V 3.5898 7.4782 117.1872 65.8189 31.7206 178.1643 109 I 4.0000 7.6594 110.2911 62.8964 37.4556 175.9505 110 H 4.9493 7.3658 115.4904 54.6105 30.4250 173.5639 111 Q 3.4217 7.9364 117.3263 56.4942 26.4963 174.1401 112 F 4.6473 8.0826 115.3760 58.3807 40.0926 176.5008 113 N 4.7415 8.3343 122.6061 52.2745 37.3278 174.0539 114 L 4.4015 7.9435 121.6322 54.0998 42.8771 177.2355 115 G 3.9984 8.2278 106.7365 45.8704 0.0000 172.9519 *185 E 4.2510 7.6304 119.8563 56.1642 31.6372 175.5538 186 T 4.2569 7.4433 110.5515 59.9780 70.2232 172.8078 187 P 4.3986 0.0000 0.0000 63.0286 31.7020 175.9924 188 S 4.5683 8.5015 114.9713 57.5117 62.9181 172.5690 189 P 4.3262 0.0000 0.0000 64.4494 31.3167 175.3685 190 Y 4.5630 7.8548 116.9741 56.8742 40.6190 175.9042 191 N 4.7820 9.2888 120.8619 52.3568 38.0505 172.8418 192 L 5.5086 7.9723 124.1223 53.0894 43.6684 174.8098 193 V 4.5418 7.8980 123.2282 60.7917 36.0002 173.6525 *195 I 4.0043 8.1204 114.7664 60.5991 39.1265 174.6562 196 G 3.2992 8.6399 112.0770 43.9764 0.0000 171.8771 197 L 5.4415 8.5850 124.1325 53.4366 43.5434 175.7216 198 T 4.8277 8.6619 116.1923 59.7254 72.7123 172.4456 *200 E 4.2646 8.4894 119.3303 57.4931 30.7111 177.2658 201 R 3.2903 8.0195 124.1546 59.0769 30.8989 177.3286 202 D 4.2378 7.9558 118.3998 57.5125 40.9088 178.6493 203 V 3.6406 7.7761 117.9067 66.1146 31.3941 177.7861 204 L 3.9763 7.8780 119.7813 58.4594 41.9216 178.6418 205 Y 4.4539 7.8568 116.7084 61.2143 37.8221 177.9388 206 D 4.3978 8.7201 119.4462 57.5540 41.2593 178.6199 207 R 4.0176 8.3123 118.6143 59.1312 30.0266 179.1270 208 I 3.7756 7.9599 119.8181 64.3146 37.2158 178.2188 209 N 4.2773 8.5621 117.7191 56.4359 38.5311 177.4322 210 R 4.0616 8.0918 120.0384 59.2767 29.8636 178.2467 211 R 3.8551 8.0241 118.1770 59.6743 30.1280 178.2792 212 V 3.6821 7.4975 116.3122 66.0350 31.7532 177.2641 213 D 4.5434 7.8828 118.1674 57.3000 40.6255 179.9594 214 Q 4.7917 7.8015 119.0742 55.4667 28.4496 178.7072 *216 V 3.9382 7.8584 121.8471 62.8232 33.2850 176.8663 217 E 4.1721 8.2025 116.9048 58.0494 29.8889 177.8541 218 E 3.9883 8.0939 119.8385 56.6261 30.1806 176.6556 219 G 4.1897 8.0823 106.7218 45.7328 0.0000 175.1655 220 L 3.8913 8.5304 123.1979 58.1258 41.7213 178.6813 221 I 3.6706 7.8518 112.1859 64.6601 37.0449 177.2877 222 D 4.3302 8.0921 119.8029 56.3479 41.0789 177.6086 223 E 3.9630 8.3061 119.8854 59.0888 29.6664 178.6046 224 A 4.2574 8.3221 120.8005 55.1531 18.6026 179.1077 225 K 3.6936 8.2073 118.0588 59.8467 32.2234 178.7166 226 K 3.9262 8.3018 118.4804 59.7964 31.9786 179.3740 227 L 4.0951 8.1034 118.9101 57.7282 41.3214 179.0841 228 Y 3.8644 8.5676 120.0958 60.7995 38.5227 177.6335 229 D 4.3173 8.5691 118.8653 57.0961 40.9867 178.6675 230 R 4.0938 7.8625 117.9422 57.5452 29.9728 177.7431 231 G 3.7943 7.5578 106.4669 45.1567 0.0000 173.2524 232 I 3.9930 7.2957 120.8600 60.7461 36.8318 175.4008 233 R 4.3882 8.4899 120.1664 56.1500 31.5334 173.3333 234 D 4.4559 8.7987 115.1097 54.7069 38.2661 174.0393 235 C 4.7191 7.8196 111.5954 56.9071 33.0502 174.7337 236 Q 3.8367 8.8897 122.5724 59.4541 28.5747 179.4954 237 S 3.5938 7.9860 112.4413 60.6650 62.5088 175.8084 238 V 3.3360 7.5488 119.6272 64.7674 31.3172 176.7578 239 Q 4.0428 7.7145 115.8305 56.3917 28.8685 175.9935 240 A 4.0350 7.6444 122.2101 52.5164 18.8156 179.2629 241 I 4.1685 8.0264 121.2912 60.2866 37.2174 176.9669 242 G 4.0768 9.2360 107.2520 45.1673 0.0000 173.9511 243 Y 4.4818 7.8989 116.4894 58.4138 40.2526 177.8089 244 K 3.8534 8.1695 118.9614 60.0825 32.3254 179.0698 245 E 3.8468 8.1321 114.6155 57.4525 28.9581 177.9565 *247 Y 4.5001 7.8552 119.2981 58.0936 40.1135 176.9540 248 D 4.3674 8.1969 118.6748 56.7839 41.1481 177.6936 249 Y 4.2258 7.6975 119.1637 60.5643 38.7463 177.1879 250 L 3.2772 7.6117 117.8656 57.7681 41.6910 178.9344 251 D 4.5173 7.7972 117.7180 55.5628 40.7301 177.2873 252 G 3.8032 7.9168 106.9140 45.9890 0.0000 174.0816 253 N 4.6842 7.8289 118.5137 53.8041 39.6520 175.7444 254 V 4.5915 7.2985 108.9021 58.7296 36.0638 175.2364 255 T 4.4579 8.6349 112.2413 60.8727 70.8901 175.4634 256 L 3.2032 8.5083 123.3839 58.3505 41.8463 179.0872 257 E 3.8693 8.0374 116.7216 59.5264 29.3813 178.7297 258 E 3.9097 7.9624 118.9072 58.9045 29.4537 179.0982 259 A 3.9493 8.1308 120.8465 55.2554 18.5577 179.3929 260 I 3.5432 7.7774 118.3278 64.6993 37.2361 178.0912 261 D 4.2659 8.2898 118.6341 57.8472 41.0830 178.4785 262 T 4.0331 8.1190 116.2695 66.3683 68.4316 176.4391 263 L 3.9349 8.2338 122.9967 58.0293 42.0403 179.1897 264 K 3.9934 8.0310 118.5577 59.2557 31.9608 179.4152 265 R 3.7787 8.3555 119.5433 59.4959 30.0792 178.3501 266 N 4.4691 8.5872 116.3664 55.7926 38.3810 177.7301 267 S 4.2127 7.7864 116.6518 61.5698 63.0692 176.7430 268 R 3.8346 8.0980 120.8825 59.2038 29.5969 179.4150 269 R 3.9760 7.9604 118.0415 59.0805 29.9627 178.4418 270 Y 4.0751 8.0145 118.7146 60.6683 38.8166 177.4542 271 A 3.9865 8.3224 122.0492 55.3309 18.4315 179.2146 272 K 3.8668 7.9652 117.1926 60.0540 32.2835 178.7873 273 R 3.9550 8.1306 118.0721 59.7110 30.0262 179.1458 274 Q 3.8640 8.0853 117.7238 58.7387 28.8169 178.3533 275 L 4.2323 8.3668 121.7968 58.5357 41.8524 179.1944 276 T 3.9966 7.9741 115.0643 65.8463 68.8466 176.4895 277 W 4.0678 8.1999 130.3957 60.7382 30.0901 178.2253 278 F 4.9051 8.7874 117.5178 60.6193 38.1862 177.9683 279 R 4.3109 8.0666 116.9459 58.7559 29.7586 178.4034 280 N 4.5003 7.7239 116.1283 55.2372 39.1971 175.1740 281 K 3.8638 6.8557 122.1041 56.1069 32.8786 177.4624 282 A 4.3127 8.4799 130.8599 53.7139 18.8614 177.0900 283 N 4.1411 8.8804 114.1989 54.2496 36.3886 174.1188 284 V 4.0967 7.2674 115.8396 61.0828 32.8854 175.0409 285 T 3.9991 8.1166 124.8571 62.9925 69.5251 173.7484 286 W 5.0351 8.2802 125.8064 54.9807 31.5927 175.5583 287 F 4.9265 9.1893 122.0782 55.8268 42.3384 174.1193 288 D 5.7934 8.7729 122.5521 51.3512 42.3390 176.2104 *290 T 3.9575 8.2499 112.1594 62.6329 67.0201 172.7985 291 D 4.4631 8.5577 131.7417 55.4439 38.5371 174.0235 292 V 4.3714 7.6058 115.4704 59.5631 34.5326 174.7540 293 D 4.6913 8.3417 120.3921 53.2482 41.2192 177.0885 294 F 4.0447 9.1820 126.6465 60.4038 39.0913 176.9811 295 D 4.6355 9.1163 119.1990 55.7135 40.8038 177.2027 296 K 4.3674 8.2386 117.5374 58.0554 33.6964 177.9226 297 K 3.9350 7.8334 117.8942 59.5312 31.9451 179.2751 298 I 3.6682 7.2904 116.8918 61.5452 38.4690 177.0476 *300 E 4.1972 8.1297 119.1485 55.8749 31.4568 177.8074 301 I 3.2484 7.6555 119.2801 64.4962 36.9727 177.4587 302 H 4.0774 8.6387 119.3456 59.6441 29.5488 176.2699 303 N 4.1755 8.1409 117.7053 56.7358 38.7525 176.1018 304 F 4.1434 8.1760 121.8255 61.5114 39.3991 177.1051 305 I 3.3785 8.4202 119.1232 64.2450 36.7629 177.9927 306 A 4.0659 8.2976 121.9987 55.3120 18.2055 179.8064 307 G 3.5071 8.3210 104.2370 47.9172 0.0000 175.6256 308 K 3.7166 7.8859 123.2796 58.8452 31.8276 178.7148 309 L 3.9105 7.6288 118.2192 57.9726 41.6512 179.1360 310 E 4.1173 7.8976 118.6163 58.9435 29.1287 179.2368 311 E 3.9803 7.8445 116.8953 59.6362 29.8647 179.0521 312 K 3.9979 7.5440 118.8411 57.8608 33.4236 177.9315 313 S 4.4851 7.2511 114.2316 56.7031 61.6801 174.3083 314 K 4.1334 7.7507 125.4848 57.8198 32.6229 177.8023 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 8.31 4.48 0.00 2.03 2.09 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.32 7.81 3 E 7.19 4.14 0.00 2.12 1.69 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 2.25 2.46 0.00 4 K 8.16 4.71 0.00 1.76 1.72 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.42 7.81 5 L 8.15 4.23 0.00 1.56 1.30 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.76 4.54 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 0.00 0.00 0.79 0.00 0.00 0.49 0.00 0.00 7 A 8.19 5.06 1.10 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 8 I 8.74 4.48 1.90 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.92 0.00 0.00 9 V 9.83 4.42 0.67 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 0.20 0.00 0.00 0.21 0.00 0.00 10 G 8.30 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.58 0.00 2.29 2.36 0.00 4.15 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 12 T 8.32 4.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 13 A 8.63 3.80 1.44 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 14 V 7.20 4.01 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 0.88 0.00 0.00 1.05 0.00 0.00 15 G 8.56 4.36 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 0.00 16 K 8.59 3.92 0.00 1.85 1.92 0.00 1.68 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.58 7.81 17 T 7.90 3.86 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 1.21 0.00 0.00 18 K 8.01 3.82 0.00 1.58 1.76 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.21 1.26 7.81 19 T 8.14 4.17 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 1.49 0.00 0.00 20 S 8.36 4.22 0.00 4.14 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 21 V 7.86 3.61 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 0.79 0.00 0.00 0.96 0.00 0.00 *23 L 8.01 4.13 0.00 1.74 1.85 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.51 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.68 4.02 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 26 R 7.66 4.26 0.00 1.76 1.64 0.00 3.10 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 27 L 7.74 4.69 0.00 1.85 1.74 1.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.30 4.06 0.00 2.85 2.76 0.00 0.00 6.71 7.90 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 29 G 8.11 4.79 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 0.00 0.00 0.00 30 E 8.71 4.90 0.00 1.89 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 2.24 2.24 0.00 31 V 8.27 4.67 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 0.88 0.00 0.00 0.73 0.00 0.00 32 I 8.86 4.79 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.97 0.00 0.00 33 S 8.70 4.68 0.00 3.90 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 34 G 9.11 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 35 D 7.90 4.47 0.00 2.57 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 36 S 8.17 4.26 0.00 4.36 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 0.00 *38 Q 8.09 4.29 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.95 0.00 0.00 0.00 0.00 0.00 2.73 2.35 0.00 39 V 7.44 3.34 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 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0.00 0.00 0.00 0.00 1.41 1.26 7.81 67 D 9.23 4.91 0.00 2.75 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 68 P 0.00 3.89 0.00 2.00 2.06 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 69 S 7.94 4.20 0.00 3.99 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 70 E 8.08 4.52 0.00 2.17 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 0.00 2.37 2.47 0.00 71 S 8.36 5.22 0.00 4.06 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 72 F 8.62 4.93 0.00 2.79 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 73 S 9.80 4.45 0.00 3.98 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 74 V 8.14 2.65 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 0.82 0.00 0.00 0.80 0.00 0.00 75 A 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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 0.87 0.00 0.00 0.78 0.00 0.00 109 I 7.66 4.00 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.29 0.89 0.00 0.00 110 H 7.37 4.95 0.00 3.29 3.50 0.00 5.82 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.94 3.42 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 112 F 8.08 4.65 0.00 3.00 2.95 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 0.00 113 N 8.33 4.74 0.00 2.70 2.73 0.00 0.00 7.07 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 0.00 114 L 7.94 4.40 0.00 1.70 1.60 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.23 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 0.00 0.00 0.00 *185 E 7.63 4.25 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.82 0.00 0.00 *195 I 8.12 4.00 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 1.17 0.00 0.00 196 G 8.64 3.30 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 0.00 197 L 8.59 5.44 0.00 1.61 1.71 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 198 T 8.66 4.83 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 1.10 0.00 0.00 *200 E 8.49 4.26 0.00 2.05 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 2.25 2.27 0.00 201 R 8.02 3.29 0.00 1.70 1.67 0.00 3.16 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.35 0.00 202 D 7.96 4.24 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 V 7.78 3.64 2.16 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 1.05 0.00 0.00 0.93 0.00 0.00 204 L 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0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.32 0.79 0.00 0.00 222 D 8.09 4.33 0.00 2.78 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 0.00 223 E 8.31 3.96 0.00 2.17 2.26 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 2.52 2.44 0.00 224 A 8.32 4.26 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 0.00 225 K 8.21 3.69 0.00 1.94 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.49 7.81 226 K 8.30 3.93 0.00 2.10 1.89 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.65 7.81 227 L 8.10 4.10 0.00 2.08 1.83 0.78 0.72 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 0.00 228 Y 8.57 3.86 0.00 2.58 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 D 8.57 4.32 0.00 2.66 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 0.00 230 R 7.86 4.09 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 231 G 7.56 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 0.00 0.00 0.00 232 I 7.30 3.99 2.08 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 1.34 0.83 0.82 0.00 0.00 233 R 8.49 4.39 0.00 1.94 2.03 0.00 3.20 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 234 D 8.80 4.46 0.00 2.84 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 0.00 235 C 7.82 4.72 0.00 2.99 2.94 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 0.00 236 Q 8.89 3.84 0.00 2.33 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 237 S 7.99 3.59 0.00 2.83 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 0.00 238 V 7.55 3.34 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 -0.29 0.00 0.00 0.76 0.00 0.00 239 Q 7.71 4.04 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 240 A 7.64 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 I 8.03 4.17 1.61 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 1.20 0.74 0.48 0.00 0.00 242 G 9.24 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 0.00 0.00 0.00 0.00 243 Y 7.90 4.48 0.00 3.05 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 0.00 244 K 8.17 3.85 0.00 1.92 2.17 0.00 1.50 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.47 7.81 245 E 8.13 3.85 0.00 2.08 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 2.45 2.39 0.00 *247 Y 7.86 4.50 0.00 3.15 3.18 0.00 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0.00 0.00 0.00 0.00 0.00 264 K 8.03 3.99 0.00 1.95 1.97 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.62 7.81 265 R 8.36 3.78 0.00 1.78 2.03 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 266 N 8.59 4.47 0.00 2.75 2.82 0.00 0.00 7.07 6.67 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 0.00 267 S 7.79 4.21 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 R 8.10 3.83 0.00 1.49 0.95 0.00 2.31 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.70 0.00 269 R 7.96 3.98 0.00 1.91 2.00 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 270 Y 8.01 4.08 0.00 3.06 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 0.00 271 A 8.32 3.99 1.53 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 0.00 0.00 272 K 7.97 3.87 0.00 2.03 2.15 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.57 7.81 273 R 8.13 3.96 0.00 1.93 1.95 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 274 Q 8.09 3.86 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 1.55 1.94 0.00 275 L 8.37 4.23 0.00 1.97 1.76 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 276 T 7.97 4.00 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 1.20 0.00 0.00 277 W 8.20 4.07 0.00 3.48 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 0.00 278 F 8.79 4.91 0.00 3.70 3.42 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 0.00 279 R 8.07 4.31 0.00 1.92 1.87 0.00 2.94 0.00 0.00 2.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.49 0.00 280 N 7.72 4.50 0.00 2.59 2.90 0.00 0.00 7.13 6.06 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 0.00 281 K 6.86 3.86 0.00 1.70 1.91 0.00 2.07 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.58 1.43 7.81 282 A 8.48 4.31 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 0.00 283 N 8.88 4.14 0.00 2.90 2.92 0.00 0.00 6.46 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 0.00 284 V 7.27 4.10 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 -0.20 0.00 0.00 1.05 0.00 0.00 285 T 8.12 4.00 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 0.28 0.00 0.00 286 W 8.28 5.04 0.00 2.96 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 0.00 287 F 9.19 4.93 0.00 2.98 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 0.00 288 D 8.77 5.79 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 *290 T 8.25 3.96 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 1.19 0.00 0.00 291 D 8.56 4.46 0.00 2.86 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 0.00 292 V 7.61 4.37 2.05 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 0.53 0.00 0.00 0.88 0.00 0.00 293 D 8.34 4.69 0.00 2.77 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 0.00 294 F 9.18 4.04 0.00 3.14 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 0.00 295 D 9.12 4.64 0.00 3.07 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 0.00 296 K 8.24 4.37 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.49 7.81 297 K 7.83 3.94 0.00 1.44 1.59 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.25 7.81 298 I 7.29 3.67 1.98 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 1.42 1.23 0.94 0.00 0.00 *300 E 8.13 4.20 0.00 2.02 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 0.00 2.33 2.38 0.00 301 I 7.66 3.25 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.05 0.70 0.00 0.00 302 H 8.64 4.08 0.00 3.21 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 303 N 8.14 4.18 0.00 2.84 2.98 0.00 0.00 6.66 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 0.00 304 F 8.18 4.14 0.00 3.26 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 0.00 305 I 8.42 3.38 2.05 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 1.56 0.77 0.85 0.00 0.00 306 A 8.30 4.07 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 0.00 307 G 8.32 3.51 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 0.00 308 K 7.89 3.72 0.00 1.10 1.32 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.52 7.81 309 L 7.63 3.91 0.00 1.82 1.67 0.84 0.76 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 0.00 310 E 7.90 4.12 0.00 1.95 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 2.31 2.29 0.00 311 E 7.84 3.98 0.00 2.13 2.05 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 2.46 2.37 0.00 312 K 7.54 4.00 0.00 1.72 1.97 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 313 S 7.25 4.49 0.00 4.00 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 0.00 314 K 7.75 4.13 0.00 1.88 1.82 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.