NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2805 7.8833 121.4444 61.1091 38.6243 174.3305 2 I 4.2873 7.9029 126.9690 60.2114 38.6680 174.5161 3 G 3.7148 9.0367 113.1574 45.8353 0.0000 172.6670 4 G 3.7094 8.1706 108.1975 45.7306 0.0000 171.7584 5 E 4.5206 8.1159 117.6477 54.6566 33.5165 175.3079 6 F 4.8279 8.3642 119.1331 58.3058 39.9149 174.6009 7 T 4.7885 8.6220 115.7395 61.2994 70.9733 172.2943 8 T 4.7228 7.8900 110.7684 58.7675 72.0913 174.6813 9 I 3.6433 8.7372 122.4120 63.9813 37.5689 177.8542 10 E 3.9888 8.0850 117.2798 59.0848 29.4152 178.1661 11 N 4.5905 7.8238 116.1776 54.3590 40.4647 175.6292 12 Q 3.4238 7.5164 119.2780 53.3892 29.8635 173.5347 13 P 4.4666 0.0000 0.0000 63.5182 32.2858 178.4420 14 W 5.4236 6.3150 115.3110 56.0076 28.8911 175.2357 15 F 4.8718 7.7038 122.8700 58.1838 39.7240 174.1373 16 A 4.8942 8.3335 128.1406 50.0586 21.7084 174.9946 17 A 4.8702 9.0383 124.8735 50.8001 20.9279 175.9052 18 I 4.9701 8.4059 124.1637 60.4661 39.3276 175.0543 19 Y 5.2108 9.7533 124.4396 56.1378 42.0900 174.5413 20 R 4.9212 8.9471 120.8965 54.5032 33.3403 174.1749 21 R 4.9044 8.5497 123.2237 55.6449 30.7989 175.5172 22 H 4.9474 8.7503 119.5415 53.5665 31.7493 174.8888 23 R 3.7846 8.5147 119.7401 56.8847 30.2210 178.1511 *25 G 4.4801 8.1084 109.8138 45.6399 0.0000 174.0843 *27 G 4.1566 8.2092 105.0348 45.5699 0.0000 173.5548 28 S 4.5802 7.9559 115.8703 58.1389 64.7149 173.2209 29 V 5.0575 8.3670 121.4412 61.4593 33.9394 174.5554 30 T 4.9995 8.8300 116.5576 59.8501 72.5266 172.4295 31 Y 3.9625 8.8834 123.9965 58.0428 39.2258 173.9449 32 V 3.9427 7.8730 124.5544 64.6069 33.5479 175.2163 *34 C 4.4427 7.2993 115.1340 56.8358 41.9121 171.9917 *36 G 4.1503 8.2572 106.3999 47.0066 0.0000 171.2433 37 G 4.3321 7.5950 105.0525 46.1583 0.0000 172.4528 38 S 5.4284 8.7312 115.0979 56.4355 67.1308 173.7343 39 L 4.4538 9.0353 127.2270 55.1066 42.1939 177.2603 *41 M 4.5825 8.7653 126.4230 55.1981 34.0568 175.6371 *43 S 4.5052 7.6187 110.8157 57.1787 64.4860 171.6954 44 P 4.1793 0.0000 0.0000 66.3517 31.2330 178.7245 *46 C 4.4305 8.0384 112.6373 56.3904 42.6468 173.6265 *48 W 5.1928 7.8367 118.3552 56.5784 29.9460 174.6758 49 V 4.6410 8.8480 124.6137 61.0850 33.8718 173.9138 50 I 4.9505 8.7162 127.6135 59.6989 40.4880 174.1129 51 S 4.8845 9.1802 123.7262 57.5979 66.2908 171.4333 52 A 5.0574 8.5514 120.0701 50.5382 20.9981 177.8092 53 T 3.9477 8.6682 120.2025 66.8394 68.6790 176.1363 54 H 4.0120 8.3201 116.1806 58.2313 28.4708 175.9694 55 C 4.1476 7.4055 116.8805 58.4739 41.0289 174.1705 56 F 4.8310 7.6465 115.5916 55.9464 40.8115 176.7678 57 I 3.6171 8.0076 120.0683 64.0632 37.5667 176.1046 58 D 4.4785 7.9972 117.3804 55.6362 41.8081 176.1938 59 Y 4.7615 8.0424 117.0760 55.8570 38.3658 173.3220 60 P 5.0041 0.0000 0.0000 63.0083 32.3392 177.4722 61 K 4.4949 8.1106 120.1668 55.4810 32.3100 177.5388 62 K 4.1097 8.8788 124.7005 60.0197 32.0901 178.3128 63 E 3.9938 7.7950 118.6515 58.8782 29.6772 178.3279 *65 D 4.6527 7.8864 116.9686 54.1535 43.0137 174.5533 *67 Y 4.9852 7.4212 115.5257 57.8612 39.9684 174.0862 68 I 4.7333 9.0239 122.9823 59.5327 40.8704 174.5290 69 V 4.9895 8.7520 126.6131 61.3929 34.1552 173.7274 70 Y 5.4405 9.3325 125.1863 56.4087 41.0018 174.7538 71 L 5.0382 8.9646 122.0455 53.5109 45.8685 176.9433 72 G 3.8122 8.9574 107.9763 46.5728 0.0000 173.0676 73 R 4.6420 8.2603 119.0527 54.4533 31.8608 175.6044 74 S 4.6619 8.7798 120.2482 59.3722 64.8590 174.1864 *76 R 5.3190 7.7132 117.9516 56.4104 31.0888 175.9420 *78 L 3.7525 8.3746 121.9655 53.9626 44.0688 176.6298 79 N 5.0591 8.1571 115.0700 51.0514 39.3057 174.6957 80 S 4.4654 7.3627 110.0618 57.3749 66.0470 175.1584 81 N 4.9113 8.4030 121.5759 51.5560 37.2621 174.4035 82 T 3.9712 8.1985 120.1731 62.8243 69.3401 174.2317 83 Q 4.1318 8.5820 123.7366 58.1460 28.6421 177.2884 84 G 3.9687 8.9734 110.4346 44.8734 0.0000 173.0137 85 E 4.5772 7.9963 118.2493 56.7367 31.4268 175.8177 86 M 4.8490 9.0492 118.9681 53.5806 36.4938 174.2205 87 K 4.6801 8.2288 123.4423 54.7522 34.7339 174.8767 88 F 4.9114 8.9261 123.4776 56.1794 44.2604 173.1468 89 E 4.8882 8.9982 119.3481 54.7959 33.1396 175.3121 90 V 4.3172 8.1127 120.7119 61.6679 31.6566 175.1242 91 E 4.1307 8.8923 130.7623 58.8095 30.4790 176.6301 92 N 4.7656 7.7367 117.7829 52.2154 42.6015 172.7406 93 L 4.8578 8.6225 128.6020 53.5452 43.8896 175.2202 94 I 4.5162 9.1523 128.6334 59.6971 39.1968 174.8250 95 L 5.0772 8.4668 126.9593 52.7773 44.2805 176.1252 96 H 4.3576 8.4501 122.5806 55.8036 30.1273 176.4819 97 K 4.2996 8.8730 125.9255 59.0230 32.5415 176.9804 98 D 4.9975 8.1002 118.8235 54.0947 41.6290 175.3043 99 Y 4.9446 8.0176 119.9296 57.7948 39.5835 175.0200 100 S 4.2113 6.6754 115.5792 57.4425 66.1010 173.9215 101 A 4.5592 8.0283 121.9905 50.6113 21.4411 175.8671 102 D 4.6671 8.5528 124.1920 53.2652 43.3600 176.2427 103 T 3.9315 8.3367 115.2326 66.6075 68.7441 174.5651 104 L 4.2298 7.4082 117.0261 55.9024 44.0766 176.7888 105 A 2.0000 6.7162 121.2065 51.2198 18.9263 175.7609 106 H 4.8709 7.5204 118.9637 54.0154 31.6142 173.4088 107 H 4.8701 8.5869 120.6985 55.2028 31.1840 174.1171 108 N 3.8978 8.7521 119.0089 54.5119 36.2336 175.6490 109 D 4.8472 7.7870 116.3546 52.8671 40.1127 174.3120 110 I 4.8046 6.9164 119.4524 59.2048 41.6451 173.9976 111 A 5.1572 9.2072 129.2205 50.5227 23.3170 174.6802 112 L 5.2962 9.2105 119.4009 52.9058 45.5842 175.7996 113 L 4.9538 9.0655 123.5293 52.6077 44.4549 175.6609 114 K 3.6293 8.7965 127.7784 55.7065 32.8266 176.1013 115 I 4.7721 7.7476 121.3839 59.7930 40.2481 175.0969 116 R 4.9464 8.4408 121.9133 55.4867 34.0488 175.1136 117 S 4.5221 9.3223 121.8707 57.3651 64.1058 175.2035 118 K 3.9272 8.2957 119.1138 59.1495 31.7048 178.1452 119 E 4.1326 8.0532 116.0725 56.7054 29.8031 177.1175 120 G 3.9135 8.4007 107.6335 45.3205 0.0000 173.5054 121 R 4.5909 7.7619 118.1240 54.5239 32.2733 175.6134 122 C 4.7998 8.2910 117.0384 55.7728 42.6182 173.1221 123 A 4.5319 8.1961 121.4248 52.7703 18.7288 177.7487 124 Q 4.4766 8.6889 122.5298 53.5866 29.9703 173.5539 125 P 4.5916 0.0000 0.0000 63.3318 32.1358 176.3994 126 S 4.5404 8.9540 115.2681 57.7028 65.3626 174.4011 127 R 3.9234 8.7443 119.3289 59.1402 29.9060 177.8020 128 T 4.4863 7.6950 104.7266 61.0394 69.6392 173.8906 129 I 4.7897 7.6326 123.6350 60.1284 40.2454 174.0600 130 Q 5.0705 8.8684 123.7402 54.5932 33.6327 174.7246 131 T 4.8300 8.5917 112.2044 61.5881 70.4693 173.3224 132 I 4.5094 8.2432 124.2165 59.6822 40.5682 175.5221 133 C 4.4351 8.4806 127.5928 58.3054 29.1019 170.8745 134 L 4.4641 8.3355 121.6512 53.2910 42.2263 175.0802 135 P 4.5751 0.0000 0.0000 62.0519 32.5747 175.5710 136 S 4.6120 8.0289 113.0102 56.7594 64.5803 173.9964 137 M 3.7169 8.2294 121.4112 56.9648 32.3364 176.1084 138 Y 3.8092 7.8720 119.1157 58.5507 35.9881 171.8302 139 N 4.9512 7.6919 112.8068 53.0826 40.4686 172.4671 140 D 4.8884 7.6030 120.2736 51.6166 43.5266 175.2035 141 P 4.3871 0.0000 0.0000 62.3910 32.2447 176.7124 142 Q 4.1924 8.2447 118.6826 55.2635 29.4412 175.6359 143 F 4.3916 8.2325 114.3188 58.5447 38.2153 175.3911 144 G 4.0670 8.9966 111.7820 45.5568 0.0000 174.3089 145 T 3.9833 7.5898 116.7851 63.8641 69.4920 173.7709 146 S 4.9726 8.5204 121.8078 58.1819 64.1351 174.2263 147 C 5.2333 9.4934 120.8640 55.1569 45.4918 172.7730 148 E 5.3424 8.8607 118.8599 54.7462 32.4661 174.8115 149 I 5.3499 8.2756 113.2414 58.6896 41.4610 174.1817 150 T 4.8262 8.2784 118.3901 61.9002 72.7360 173.2462 151 G 3.7138 7.6197 111.0910 46.3090 0.0000 173.2879 152 F 4.6829 8.6046 116.5047 56.8659 38.9360 176.5502 153 G 3.6145 8.1917 111.4448 44.7104 0.0000 173.9874 154 K 4.2848 8.3212 118.8809 56.8011 32.6376 177.5904 155 E 4.7940 8.6405 119.5061 57.0635 30.5586 176.3823 156 Q 4.7670 7.7228 116.4854 54.0053 32.8875 175.8912 157 S 4.2157 8.8535 117.6345 61.7017 63.0060 175.4358 158 T 4.3780 7.7829 107.4577 61.7009 69.0825 174.5605 159 D 4.7241 7.9920 122.7042 54.6154 41.4351 175.5990 160 Y 4.6482 8.3070 117.7151 56.7154 39.8259 175.6407 161 L 4.3669 7.0061 119.1723 53.0076 44.1801 175.0795 162 Y 4.9677 7.8076 117.6559 55.8858 39.6012 173.9727 163 P 4.4974 0.0000 0.0000 62.7664 32.1877 176.2250 164 E 4.1197 8.7534 120.9733 58.4436 30.2733 176.2865 165 Q 4.6131 7.9580 119.7601 54.2371 31.0011 174.7046 *167 L 3.4341 8.2601 126.3914 54.8264 43.8446 175.2504 168 K 5.1959 7.9704 122.0443 55.0118 36.8998 174.8540 169 M 5.1002 8.5628 117.6399 54.8545 35.2809 173.4276 170 T 4.6508 8.3576 113.1646 61.4544 71.8605 171.8327 171 V 4.9028 8.2065 122.2603 61.1682 34.2542 174.7489 172 V 4.6225 8.7794 119.1319 59.7392 36.7764 174.1328 173 K 5.0615 8.7169 121.2505 54.3754 34.9336 176.2725 174 L 4.6290 8.8197 124.3506 55.0696 42.8709 176.0704 175 I 4.8972 8.5044 123.7320 59.1147 39.9470 176.0691 176 S 4.3651 8.4567 120.5784 58.2937 63.9179 174.8116 177 H 4.2081 8.8082 120.2761 59.3008 29.3760 177.1126 178 R 3.7727 7.9129 119.0793 59.5415 30.2098 177.6250 179 E 3.7878 7.9435 118.8679 59.3482 29.6600 177.9665 180 C 4.4194 8.2044 118.2302 59.1290 38.3073 174.4418 181 Q 5.0209 7.7711 119.5509 54.7006 28.7086 175.8181 182 Q 4.2925 7.2638 120.6510 54.8597 29.5241 175.4395 183 P 4.2712 0.0000 0.0000 66.4960 31.0913 177.4136 184 H 4.5340 8.2002 113.3497 57.1404 30.6495 174.9770 185 Y 4.6446 8.0295 115.6306 57.9009 36.0542 175.7930 186 Y 4.9845 7.1295 129.0288 57.5314 40.2167 176.6356 187 G 4.0867 8.2410 109.6410 47.3097 0.0000 175.5051 188 S 4.7116 8.7294 119.3900 59.2455 63.0662 174.9837 189 E 4.1508 8.2134 121.9536 58.5503 29.4438 177.7248 190 V 4.4291 7.8918 118.0859 60.6098 33.0199 175.3597 191 T 4.7202 8.2592 113.0958 59.6108 71.2251 175.0632 192 T 3.7803 8.2308 110.7901 64.0135 68.8457 175.1552 193 K 4.2872 7.8772 121.4427 56.8479 32.1485 175.7380 194 M 5.2276 7.9821 118.2598 53.3632 35.8181 174.6523 195 L 4.8524 9.1309 123.0669 53.6502 45.3774 174.8358 196 C 5.4734 8.8255 122.5814 56.2834 43.3782 172.3273 197 A 5.2202 8.7492 121.0429 51.4259 22.8478 175.2683 198 A 4.7468 8.5428 121.5614 51.5660 23.9292 174.7704 199 D 4.6604 8.1622 118.4481 52.7428 42.0141 175.6270 200 P 3.6199 0.0000 0.0000 65.0188 31.4631 177.1004 201 Q 4.2056 7.8831 114.4306 54.8913 29.0425 175.2809 202 W 3.8240 7.1904 116.8796 57.8841 27.1409 175.1735 203 K 4.4995 8.7379 117.4337 56.8999 32.8820 176.5906 204 T 4.8764 7.3635 111.9112 60.6519 70.8150 171.7956 205 D 4.5715 8.2369 124.8316 53.9597 45.8072 175.0367 206 S 4.9982 8.8285 115.7850 58.2528 64.7326 173.3514 207 C 4.7773 9.1647 119.3550 55.0064 46.3261 172.4122 208 Q 4.2061 8.6280 121.9346 58.1391 28.7690 176.9096 209 G 3.9674 9.2123 111.7850 45.2489 0.0000 173.9673 210 D 4.6815 8.2584 117.9044 54.7759 41.4618 176.7619 211 S 4.2884 7.9201 115.3466 60.1952 63.3379 174.7296 212 G 4.0841 8.5021 111.0619 46.5655 0.0000 174.0482 213 G 4.3598 7.6414 107.3719 45.2340 0.0000 171.1171 214 P 4.9501 0.0000 0.0000 62.2987 33.4849 175.0860 215 L 4.8388 8.9170 125.2295 53.6676 43.9444 174.7885 216 V 4.7556 8.6578 127.6215 61.3088 33.7352 173.7440 217 C 5.2945 8.6560 124.8727 55.0783 43.7192 172.9263 218 S 4.9838 8.5371 117.6123 57.1654 63.1952 173.0924 219 L 4.5856 8.4454 128.9125 54.3373 44.4168 176.1402 220 Q 3.5306 9.8317 124.6338 57.0041 26.1472 174.8983 221 G 3.9493 8.5899 106.4819 44.9458 0.0000 173.8824 222 R 4.6190 7.4901 120.3427 54.4853 32.4633 175.0600 223 M 4.5873 8.5168 125.9058 55.7701 32.8250 175.8157 224 T 4.6307 8.5524 118.7651 61.7344 73.6794 173.3723 225 L 4.2066 8.5718 127.5548 55.0032 40.4094 176.3167 226 T 4.1705 8.4037 123.1909 65.6763 70.0886 174.3891 227 G 4.6781 8.2898 106.3719 45.8118 0.0000 171.6695 228 I 5.1881 8.2811 119.8121 58.8498 40.6443 175.5905 229 V 3.4976 8.9421 127.6796 64.0842 31.8653 174.5034 230 S 4.6224 8.4107 120.7032 58.8141 64.0569 173.3211 231 W 5.0756 7.5888 114.5590 55.3379 31.7830 172.7814 232 G 4.2748 8.3547 105.1565 46.0339 0.0000 173.0718 233 R 4.3428 9.2207 123.7253 55.7981 30.5053 177.9667 234 G 3.9713 8.7820 116.0499 44.9043 0.0000 172.1871 235 C 4.7777 8.1831 114.8349 56.0396 43.3578 174.1395 236 A 3.7988 9.1105 129.5152 53.1476 16.3838 176.4767 237 L 4.4983 7.5140 121.5068 53.4365 44.0473 175.2755 238 K 2.0000 8.0882 126.1994 57.5447 32.5286 175.7886 239 D 3.3700 6.0500 122.6111 54.3207 38.1358 173.4016 240 K 3.9838 6.3439 118.8258 53.4492 32.6152 174.2309 241 P 4.8605 0.0000 0.0000 61.8027 32.8749 175.9476 242 G 3.9105 9.1904 108.5051 46.2287 0.0000 172.9666 243 V 4.8457 8.1697 121.5493 60.8172 34.5686 174.0229 244 Y 5.1526 8.7794 123.9249 56.0705 42.3123 175.0433 245 T 4.2628 8.7456 120.3057 63.9273 69.9766 174.0239 246 R 4.2720 8.8069 127.2086 55.0314 29.7492 176.5779 247 V 3.8162 8.2409 126.4690 66.2444 31.3248 177.5974 248 S 4.0818 8.1696 112.2631 61.8876 62.6250 175.6431 249 H 4.1047 8.1267 120.9738 58.4060 29.6671 176.1780 250 F 4.8191 8.0485 118.2375 57.4320 38.8792 177.4585 251 L 4.0288 7.8609 121.7073 57.5940 41.4440 177.4250 252 P 4.2543 0.0000 0.0000 65.4396 31.3474 178.4806 253 W 4.1857 8.3143 126.6413 60.4355 30.7875 178.0225 254 I 3.5450 8.3811 120.1241 64.3537 36.3523 178.4506 255 R 3.7648 7.8432 118.4469 59.3095 29.9618 178.1842 256 S 4.0644 7.6941 112.1507 61.2200 62.5074 175.0759 257 H 4.1878 7.4373 116.2955 56.3225 28.7705 175.9632 258 T 3.2510 6.9765 116.3325 61.3999 68.8443 174.0748 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 1 I 7.88 4.28 1.76 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 1.43 1.04 0.83 0.00 0.00 2 I 7.90 4.29 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 0.93 0.00 0.00 3 G 9.04 3.71 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 0.00 0.00 0.00 4 G 8.17 3.71 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 0.00 0.00 0.00 5 E 8.12 4.52 0.00 1.97 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 2.10 2.24 0.00 6 F 8.36 4.83 0.00 2.96 2.93 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 7 T 8.62 4.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 8 T 7.89 4.72 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 1.25 0.00 0.00 9 I 8.74 3.64 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 0.96 0.00 0.00 10 E 8.09 3.99 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 2.25 2.37 0.00 11 N 7.82 4.59 0.00 2.78 2.84 0.00 0.00 6.76 7.70 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 12 Q 7.52 3.42 0.00 1.76 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 13 P 0.00 4.47 0.00 2.17 2.16 0.00 2.32 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 14 W 6.32 5.42 0.00 3.63 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 15 F 7.70 4.87 0.00 3.03 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 16 A 8.33 4.89 1.15 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 17 A 9.04 4.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.41 4.97 1.97 0.00 0.00 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 1.29 0.63 1.16 0.00 0.00 19 Y 9.75 5.21 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.95 4.92 0.00 1.61 1.53 0.00 2.61 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.14 0.00 21 R 8.55 4.90 0.00 1.82 1.88 0.00 3.20 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 22 H 8.75 4.95 0.00 3.08 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.51 3.78 0.00 1.89 1.88 0.00 3.17 0.00 0.00 3.37 7.33 0.00 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0.00 3.11 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 49 V 8.85 4.64 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 1.03 0.00 0.00 0.87 0.00 0.00 50 I 8.72 4.95 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.59 1.03 0.00 0.00 51 S 9.18 4.88 0.00 3.98 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 52 A 8.55 5.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.67 3.95 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 0.60 0.00 0.00 54 H 8.32 4.01 0.00 3.35 3.72 0.00 5.56 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 55 C 7.41 4.15 0.00 1.42 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 0.00 0.00 0.00 0.00 56 F 7.65 4.83 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 -0.36 0.00 0.00 111 A 9.21 5.16 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 0.00 112 L 9.21 5.30 0.00 1.59 1.69 0.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 113 L 9.07 4.95 0.00 1.49 1.40 0.58 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.80 3.63 0.00 0.79 1.07 0.00 0.96 0.00 0.00 1.30 0.00 0.00 2.57 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.76 0.21 7.81 115 I 7.75 4.77 1.43 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.34 0.70 0.00 0.00 116 R 8.44 4.95 0.00 1.83 1.74 0.00 3.06 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 117 S 9.32 4.52 0.00 3.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.30 3.93 0.00 1.69 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.38 7.81 119 E 8.05 4.13 0.00 1.90 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 2.26 2.33 0.00 120 G 8.40 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 0.00 0.00 0.00 121 R 7.76 4.59 0.00 1.95 1.88 0.00 3.13 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 122 C 8.29 4.80 0.00 2.84 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 0.00 123 A 8.20 4.53 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.69 4.48 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 125 P 0.00 4.59 0.00 2.12 2.04 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 2.08 2.14 0.00 126 S 8.95 4.54 0.00 3.93 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 0.00 127 R 8.74 3.92 0.00 1.81 2.02 0.00 3.19 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 128 T 7.69 4.49 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 129 I 7.63 4.79 1.95 0.00 0.00 1.00 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 0.72 1.02 0.00 0.00 130 Q 8.87 5.07 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 131 T 8.59 4.83 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 0.00 132 I 8.24 4.51 1.41 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.92 0.00 0.00 133 C 8.48 4.44 0.00 2.56 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.34 4.46 0.00 1.61 1.61 0.90 1.05 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 0.00 135 P 0.00 4.58 0.00 2.15 2.03 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 136 S 8.03 4.61 0.00 3.95 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 0.00 137 M 8.23 3.72 0.00 1.10 1.75 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 138 Y 7.87 3.81 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.69 4.95 0.00 2.65 2.67 0.00 0.00 7.20 8.47 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 0.00 140 D 7.60 4.89 0.00 2.72 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 0.00 141 P 0.00 4.39 0.00 2.00 1.94 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 142 Q 8.24 4.19 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 143 F 8.23 4.39 0.00 3.11 3.13 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 0.00 0.00 0.00 0.00 144 G 9.00 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 0.00 0.00 0.00 0.00 145 T 7.59 3.98 4.19 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 1.16 0.00 0.00 146 S 8.52 4.97 0.00 3.71 3.74 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 0.00 147 C 9.49 5.23 0.00 2.64 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 0.00 148 E 8.86 5.34 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 2.23 2.30 0.00 149 I 8.28 5.35 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.64 0.98 0.00 0.00 150 T 8.28 4.83 3.78 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 0.81 0.00 0.00 151 G 7.62 3.71 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 0.00 0.00 0.00 152 F 8.60 4.68 0.00 2.34 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 0.00 0.00 0.00 0.00 153 G 8.19 3.61 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 0.00 0.00 0.00 154 K 8.32 4.28 0.00 1.90 2.04 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.74 1.95 7.81 155 E 8.64 4.79 0.00 2.23 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 2.35 2.35 0.00 156 Q 7.72 4.77 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 157 S 8.85 4.22 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 7.78 4.38 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 1.24 0.00 0.00 159 D 7.99 4.72 0.00 2.85 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 0.00 160 Y 8.31 4.65 0.00 3.02 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 0.00 161 L 7.01 4.37 0.00 1.31 1.38 0.65 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.81 4.97 0.00 2.99 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 0.00 163 P 0.00 4.50 0.00 2.58 2.44 0.00 4.13 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 164 E 8.75 4.12 0.00 1.97 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 2.25 2.34 0.00 165 Q 7.96 4.61 0.00 1.89 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.33 0.00 0.00 0.00 0.00 0.00 2.05 2.72 0.00 *167 L 8.26 3.43 0.00 1.48 1.30 -0.71 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 168 K 7.97 5.20 0.00 1.52 1.41 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.48 7.81 169 M 8.56 5.10 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 170 T 8.36 4.65 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 171 V 8.21 4.90 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 0.91 0.00 0.00 0.91 0.00 0.00 172 V 8.78 4.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 173 K 8.72 5.06 0.00 1.59 1.65 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.32 7.81 174 L 8.82 4.63 0.00 1.61 1.61 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.50 4.90 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.94 0.00 0.00 176 S 8.46 4.37 0.00 3.88 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.81 4.21 0.00 3.22 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.91 3.77 0.00 1.75 1.83 0.00 3.32 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 179 E 7.94 3.79 0.00 1.81 1.81 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 1.55 1.81 0.00 180 C 8.20 4.42 0.00 3.24 3.16 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 0.00 181 Q 7.77 5.02 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.07 0.00 182 Q 7.26 4.29 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 183 P 0.00 4.27 0.00 2.08 2.18 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 184 H 8.20 4.53 0.00 3.25 3.34 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.03 4.64 0.00 2.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 7.13 4.98 0.00 3.31 3.13 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 0.00 0.00 0.00 0.00 187 G 8.24 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 0.00 188 S 8.73 4.71 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.21 4.15 0.00 2.36 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 2.30 0.00 190 V 7.89 4.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 191 T 8.26 4.72 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 1.31 0.00 0.00 192 T 8.23 3.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 193 K 7.88 4.29 0.00 1.79 1.87 0.00 1.33 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.74 1.14 7.81 194 M 7.98 5.23 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 195 L 9.13 4.85 0.00 1.71 1.57 0.90 1.03 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 0.00 196 C 8.83 5.47 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 197 A 8.75 5.22 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 0.00 198 A 8.54 4.75 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 0.00 199 D 8.16 4.66 0.00 2.81 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 3.62 0.00 1.91 1.91 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 201 Q 7.88 4.21 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 202 W 7.19 3.82 0.00 3.36 3.12 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 0.00 0.00 0.00 0.00 203 K 8.74 4.50 0.00 1.71 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.50 7.81 204 T 7.36 4.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 205 D 8.24 4.57 0.00 2.89 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 0.00 206 S 8.83 5.00 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 C 9.16 4.78 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 Q 8.63 4.21 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.11 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 209 G 9.21 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 0.00 0.00 0.00 210 D 8.26 4.68 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 S 7.92 4.29 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 G 8.50 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 0.00 213 G 7.64 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 0.00 214 P 0.00 4.95 0.00 2.32 2.44 0.00 4.07 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 215 L 8.92 4.84 0.00 1.57 1.62 0.46 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 216 V 8.66 4.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.67 0.00 0.00 217 C 8.66 5.29 0.00 2.84 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 0.00 218 S 8.54 4.98 0.00 3.85 3.74 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 0.00 219 L 8.45 4.59 0.00 1.65 1.40 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 220 Q 9.83 3.53 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 221 G 8.59 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 R 7.49 4.62 0.00 1.90 1.87 0.00 3.06 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 223 M 8.52 4.59 0.00 1.68 1.73 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 224 T 8.55 4.63 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 1.21 0.00 0.00 225 L 8.57 4.21 0.00 1.53 1.57 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 226 T 8.40 4.17 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 227 G 8.29 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 0.00 228 I 8.28 5.19 1.93 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 1.30 1.32 1.02 0.00 0.00 229 V 8.94 3.50 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 0.78 0.00 0.00 1.16 0.00 0.00 230 S 8.41 4.62 0.00 4.04 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 0.00 231 W 7.59 5.08 0.00 3.22 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 G 8.35 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 0.00 0.00 0.00 0.00 233 R 9.22 4.34 0.00 2.10 2.17 0.00 3.53 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 234 G 8.78 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 0.00 0.00 0.00 235 C 8.18 4.78 0.00 2.96 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 0.00 236 A 9.11 3.80 1.48 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 0.00 0.00 237 L 7.51 4.50 0.00 1.64 1.38 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 238 K 8.09 2.00 0.00 1.22 1.26 0.00 1.83 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.84 0.73 7.81 239 D 6.05 3.37 0.00 2.25 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 0.00 240 K 6.34 3.98 0.00 1.62 1.80 0.00 1.64 0.00 0.00 1.16 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.37 7.81 241 P 0.00 4.86 0.00 2.17 2.31 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 242 G 9.19 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 0.00 0.00 0.00 243 V 8.17 4.85 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 0.43 0.00 0.00 -0.44 0.00 0.00 244 Y 8.78 5.15 0.00 2.94 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 0.00 245 T 8.75 4.26 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 1.16 0.00 0.00 246 R 8.81 4.27 0.00 1.91 2.09 0.00 3.32 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 247 V 8.24 3.82 2.25 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 1.14 0.00 0.00 1.04 0.00 0.00 248 S 8.17 4.08 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 H 8.13 4.10 0.00 2.97 3.02 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 F 8.05 4.82 0.00 3.38 3.13 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 0.00 0.00 0.00 0.00 251 L 7.86 4.03 0.00 1.62 1.69 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 252 P 0.00 4.25 0.00 2.21 2.12 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 253 W 8.31 4.19 0.00 3.56 3.54 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 0.00 0.00 0.00 0.00 254 I 8.38 3.54 1.93 0.00 0.00 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 1.69 1.35 0.82 0.00 0.00 255 R 7.84 3.76 0.00 1.75 1.98 0.00 3.22 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 256 S 7.69 4.06 0.00 3.81 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 0.00 257 H 7.44 4.19 0.00 2.25 2.69 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 T 6.98 3.25 3.37 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 -0.10 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.