NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4567 0.0000 0.0000 62.5892 32.8533 175.3221 2 S 4.3984 8.8266 113.6715 56.3726 64.5286 170.3699 3 V 3.4529 9.0968 121.4268 66.4483 32.3597 178.9529 4 Y 3.9324 7.9587 115.7689 61.2067 37.7036 178.1442 5 D 4.5498 8.0269 117.4535 56.2586 40.8830 178.4132 6 A 4.1050 7.8272 121.3031 54.2353 18.6475 178.2377 7 A 3.7906 8.0693 119.2035 53.8565 17.5795 179.8386 8 A 4.3101 8.4762 123.0953 50.4192 18.1895 179.6875 9 Q 4.1558 8.0834 117.4201 58.4450 29.2280 178.1299 10 L 4.2466 7.2927 120.5066 53.4295 40.2161 176.4221 11 T 4.0726 7.4067 113.0637 61.0483 71.2765 174.9468 12 A 3.9535 8.4931 122.5280 55.6341 18.2338 179.6733 13 D 4.2562 7.9527 116.6948 57.4016 40.9230 178.9485 14 V 3.5059 7.6929 118.7715 65.9656 31.4457 178.2705 15 K 3.8569 8.3143 118.5960 59.1257 31.7434 179.2331 16 K 3.9425 8.1952 120.0212 59.7195 32.1310 178.6611 17 D 4.5686 8.2232 119.1300 57.2276 40.5884 178.7205 18 L 3.7567 8.1368 119.8696 57.8728 41.6125 179.8536 19 R 4.0399 8.3124 118.2641 59.3774 28.9324 178.9255 20 D 4.4690 8.5797 119.2935 57.4432 40.7929 179.0484 21 S 2.9697 8.1544 114.8606 60.6778 62.9726 176.3314 22 W 4.2787 8.7706 132.2578 60.0362 30.2015 177.8483 23 K 3.8281 8.0604 118.0321 59.2464 31.7609 178.8340 24 V 3.8029 7.1007 118.1888 65.5047 31.6998 178.1835 25 I 3.4363 7.7050 119.8821 64.2198 36.9873 178.2683 26 G 2.2477 6.7270 107.0042 45.9749 0.0000 174.3037 27 S 4.1774 7.1581 113.9542 59.4162 63.7594 174.3284 28 D 4.6500 7.3387 121.0724 51.5253 41.0180 175.5466 29 K 3.8129 7.9911 123.1632 58.5367 32.5244 178.3395 30 K 3.9939 7.9838 119.5517 59.4646 32.2906 178.9409 31 G 3.5337 8.3571 105.8593 48.0610 0.0000 175.4086 32 N 4.5003 8.4633 119.7263 55.2303 38.5584 178.0393 33 G 3.4926 8.2453 107.7522 47.8030 0.0000 176.0570 34 V 3.6034 7.8946 120.8593 65.4299 31.4273 177.9269 35 A 3.9321 8.0490 120.6526 54.8834 18.1217 179.2428 36 L 3.7394 8.0463 119.0506 58.6392 42.1517 179.2409 37 M 3.5243 7.8349 118.4214 58.5489 31.8552 178.8960 38 T 3.9452 8.1508 116.2603 66.9217 68.5639 176.8981 39 T 3.8059 8.0259 117.8555 66.3010 68.3989 176.2814 40 L 3.7540 7.7159 122.4604 58.4623 41.7845 179.1934 41 F 4.5443 7.5404 115.2351 59.8966 38.8796 177.3928 42 A 4.1873 7.8235 120.3906 54.6369 18.3559 178.5191 43 D 4.7149 8.0149 115.1964 54.4667 43.1716 176.6454 44 N 5.3763 8.1385 115.5766 50.0770 39.2174 175.4271 45 Q 4.2111 7.9803 119.1909 58.6444 29.2044 178.2268 46 E 4.1363 8.2996 118.1837 58.5448 29.5935 178.0620 47 T 4.4179 8.2821 110.4062 62.8251 69.3782 176.6795 48 I 3.6418 7.8499 124.0567 64.5181 36.8461 178.2521 49 G 3.5840 8.0343 105.9617 47.9751 0.0000 175.0354 50 Y 4.3705 7.5879 117.5008 60.0546 37.8758 176.9349 51 F 4.8011 8.1441 118.3707 56.8936 39.5609 177.8597 52 K 3.9042 7.8060 123.7890 59.7710 32.3689 178.9876 53 R 3.9248 8.0950 118.8632 59.1828 29.9467 176.9512 54 L 4.2725 8.1639 115.9419 55.1474 42.7863 178.6113 55 G 3.8313 7.8284 106.2350 45.7348 0.0000 175.4030 56 D 4.5074 8.4317 125.6894 53.1312 40.3665 176.8729 57 V 3.9861 8.0405 119.2306 61.9919 31.6208 177.3041 58 S 4.4750 8.3470 114.4730 58.9711 63.5151 174.7864 59 Q 4.2773 8.1369 120.0109 55.4452 29.7018 176.9023 60 G 3.7656 7.8025 107.7924 46.7728 0.0000 176.8446 61 M 4.0055 8.8375 120.9214 57.9431 32.0148 176.5445 62 A 4.4345 7.8448 120.2618 51.9442 18.8260 177.2172 63 N 4.8028 7.8632 116.9302 52.4278 41.1366 174.3408 64 D 4.3723 8.6262 129.0930 57.3205 40.9846 178.8518 65 K 4.0309 8.1283 118.6164 59.2093 32.0452 178.9965 66 L 4.0118 8.6109 121.0322 58.0966 41.9455 179.0028 67 R 3.9973 8.3861 119.0342 59.4382 30.0853 178.7418 68 G 3.6250 8.4556 105.8567 47.9592 0.0000 175.0586 69 H 4.1920 8.5342 120.8422 59.2715 30.0522 177.6206 70 S 4.0867 8.4358 117.0799 61.5797 62.5961 176.6583 71 I 3.7723 8.0621 122.7588 64.9024 36.9960 178.6999 72 T 4.1118 7.9961 116.4463 66.4484 68.2850 176.4348 73 L 3.8676 8.2100 122.6901 58.5744 41.9984 179.0889 74 M 4.2295 7.9239 117.9070 58.3635 31.8569 178.1886 75 Y 4.0049 7.8974 116.3581 60.2126 37.9927 177.8415 76 A 3.4440 7.6314 122.0244 54.8554 18.2161 179.6388 77 L 3.4877 7.3202 117.2990 57.6174 41.5014 179.3369 78 Q 3.6979 7.9029 119.6186 59.1203 28.7220 177.9885 79 N 4.2730 7.7728 116.5225 56.8412 39.4358 176.2995 80 F 4.5902 7.7055 118.9712 60.9009 38.9225 177.7531 81 I 3.5693 7.7788 119.4259 64.5175 36.6628 178.1889 82 D 4.5267 8.2312 118.1879 56.3693 40.9778 177.6559 83 Q 4.4336 7.7359 117.2505 55.8963 28.8181 177.2635 84 L 3.9604 7.5112 121.2397 57.6733 41.7394 177.7330 85 D 4.5340 7.9186 115.6524 54.9761 41.3954 176.0021 86 N 4.8663 8.0659 118.5220 49.9359 39.2735 172.2348 87 P 4.1344 0.0000 0.0000 65.3908 31.4961 177.5777 88 D 4.9393 8.2307 118.4525 57.0888 40.8376 178.4822 89 D 4.3728 8.2713 118.8689 57.0115 40.8249 178.4763 90 L 3.9147 8.1169 121.1965 58.2196 42.0062 179.2542 91 V 3.3667 7.8414 118.6884 66.0250 31.4258 177.7900 92 C 4.1554 7.9003 113.7848 61.2351 29.5078 176.2673 93 V 3.7300 7.8601 114.9532 63.8835 31.2463 178.5099 94 V 3.7303 8.2357 118.5695 66.2516 31.3329 177.9582 95 E 3.9857 8.4969 118.5588 59.0670 29.1016 179.2179 96 K 3.7933 7.8244 119.1466 59.7504 31.7968 179.0228 97 F 4.6446 8.4668 118.9273 59.7123 38.7914 177.5829 98 A 3.9573 8.6283 121.2434 55.1814 18.1555 179.7410 99 V 3.5753 7.8821 116.6692 66.2946 31.2303 177.8228 100 N 4.3218 8.0691 116.0760 56.4675 38.3415 176.6462 101 H 4.4095 7.8664 116.0962 57.9238 29.3286 177.5461 102 I 3.7224 8.2700 122.2970 64.5677 36.7973 178.2602 103 T 4.0044 7.8213 107.6538 63.4447 68.8253 175.0999 104 R 4.3909 7.6408 119.8900 55.4920 30.3892 175.7218 105 K 3.7755 7.8658 115.7866 57.5473 29.7570 175.9184 106 I 4.1741 7.5315 120.7765 60.0427 37.3360 177.0593 107 S 4.4620 8.7236 120.8726 57.4273 65.2979 174.7413 108 A 3.9927 8.5346 123.3081 55.4488 17.8113 179.7774 109 A 4.0175 7.9430 117.5839 55.3324 18.8559 179.2727 110 E 4.1395 8.2868 117.1077 59.5120 29.5659 179.1824 111 F 4.1622 8.7544 121.2533 61.2907 39.4473 177.1662 112 G 3.8332 8.2821 104.4301 46.6727 0.0000 175.4442 113 K 4.0544 8.0663 120.9515 59.1619 31.9198 178.5795 114 I 3.7450 7.6461 118.6383 63.2532 37.6250 177.4232 115 N 4.4250 8.2439 117.8979 56.2184 38.3035 177.3607 116 G 3.5652 7.7296 105.8515 47.4636 0.0000 173.8308 117 P 4.1972 0.0000 0.0000 65.1237 31.2853 178.7160 118 I 3.5006 7.9037 118.6458 64.1840 37.0191 178.2459 119 K 3.9307 8.2150 120.5720 59.5875 31.9617 178.9925 120 K 3.9821 7.9782 118.5959 59.3738 30.7838 179.6041 121 V 3.5250 8.0261 118.8984 65.7950 31.4401 177.9391 122 L 4.0929 8.2607 118.9749 58.0022 41.5064 179.5469 123 A 4.2065 8.2356 120.5390 54.8282 18.0383 179.6282 124 S 4.1749 7.8924 112.0804 60.3970 62.8988 175.2879 125 K 4.4075 6.9544 120.8259 55.8421 32.3765 175.6206 126 N 4.0848 8.0283 114.0176 54.2308 36.2606 174.3416 127 F 4.3581 8.0692 118.0805 56.4831 39.5653 175.7743 128 G 4.2567 8.5814 120.2946 45.1202 0.0000 173.3643 129 D 4.4543 8.8890 118.0126 57.3386 40.8452 178.2565 130 K 3.8414 8.1741 119.7387 59.8342 32.0880 178.3156 131 Y 4.1229 8.0868 116.2006 60.9375 37.8880 177.7689 132 A 4.1873 8.3335 121.8315 55.4274 18.6139 179.4628 133 N 4.3069 8.6763 115.0485 56.2855 38.5305 177.4931 134 A 3.9331 8.1289 122.1685 55.0978 18.4534 179.7777 135 W 3.9084 8.5819 117.3088 59.7645 29.0862 178.6280 136 A 4.5282 8.4329 122.3408 54.5685 17.5276 179.8567 137 K 3.9264 7.6858 116.1974 59.3815 32.4094 179.0564 138 L 3.9173 7.6751 120.3929 58.0410 41.9560 178.9250 139 V 3.7633 8.3035 118.4648 66.2961 31.4179 177.8571 140 A 4.5769 8.1200 121.3427 54.1584 17.9042 179.8037 141 V 3.4176 7.2702 116.6199 66.0808 31.8271 178.0603 142 V 3.4765 7.4845 117.4976 66.0011 31.5206 177.8148 143 Q 3.8825 8.2136 117.7098 58.8464 28.2861 178.6904 144 A 4.0273 7.9040 120.6531 54.2950 18.4475 178.4647 145 A 4.3161 7.6807 117.0947 52.3196 19.3044 177.2395 146 L 4.2083 7.6057 122.7785 54.6239 42.0357 176.2992 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 P 0.00 4.46 0.00 2.17 2.15 0.00 3.46 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 2 S 8.83 4.40 0.00 4.11 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 3 V 9.10 3.45 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 0.93 0.00 0.00 0.90 0.00 0.00 4 Y 7.96 3.93 0.00 3.06 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 5 D 8.03 4.55 0.00 2.87 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 6 A 7.83 4.10 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 7 A 8.07 3.79 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 8 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 9 Q 8.08 4.16 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.48 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 10 L 7.29 4.25 0.00 1.63 1.53 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.41 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 12 A 8.49 3.95 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 13 D 7.95 4.26 0.00 2.66 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 14 V 7.69 3.51 2.20 0.00 0.00 0.00 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 0.86 0.00 0.00 15 K 8.31 3.86 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.57 7.81 16 K 8.20 3.94 0.00 1.94 1.99 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 D 8.22 4.57 0.00 2.78 2.53 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 18 L 8.14 3.76 0.00 1.60 1.24 0.54 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.31 4.04 0.00 1.94 2.05 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 20 D 8.58 4.47 0.00 2.95 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 21 S 8.15 2.97 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.77 4.28 0.00 3.79 3.26 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 0.00 23 K 8.06 3.83 0.00 2.00 1.88 0.00 1.80 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 1.53 1.73 7.81 24 V 7.10 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 1.12 0.00 0.00 1.10 0.00 0.00 25 I 7.70 3.44 1.58 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.66 0.00 0.00 26 G 6.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.16 4.18 0.00 3.91 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 28 D 7.34 4.65 0.00 2.56 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 29 K 7.99 3.81 0.00 1.74 1.71 0.00 1.16 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.37 7.81 30 K 7.98 3.99 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.36 3.53 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 0.00 32 N 8.46 4.50 0.00 2.70 2.73 0.00 0.00 6.98 8.07 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 33 G 8.25 3.49 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 0.00 34 V 7.89 3.60 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 1.07 0.00 0.00 0.96 0.00 0.00 35 A 8.05 3.93 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 36 L 8.05 3.74 0.00 1.77 1.73 0.74 1.11 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 37 M 7.83 3.52 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 38 T 8.15 3.95 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 39 T 8.03 3.81 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 1.19 0.00 0.00 40 L 7.72 3.75 0.00 1.39 1.12 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.54 4.54 0.00 3.02 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 42 A 7.82 4.19 1.35 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 0.00 0.00 0.00 43 D 8.01 4.71 0.00 2.73 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 44 N 8.14 5.38 0.00 2.98 2.89 0.00 0.00 7.18 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.98 4.21 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.78 0.00 46 E 8.30 4.14 0.00 2.15 2.23 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 2.42 2.35 0.00 47 T 8.28 4.42 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 1.43 0.00 0.00 48 I 7.85 3.64 1.87 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 1.02 0.67 0.70 0.00 0.00 49 G 8.03 3.58 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 0.00 0.00 0.00 50 Y 7.59 4.37 0.00 2.93 2.55 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 51 F 8.14 4.80 0.00 3.12 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 52 K 7.81 3.90 0.00 1.93 2.08 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.40 7.81 53 R 8.09 3.92 0.00 1.81 2.06 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 L 8.16 4.27 0.00 1.81 1.76 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.83 3.83 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 0.00 0.00 0.00 56 D 8.43 4.51 0.00 2.66 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 57 V 8.04 3.99 1.83 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 0.60 0.00 0.00 0.07 0.00 0.00 58 S 8.35 4.47 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 59 Q 8.14 4.28 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 60 G 7.80 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 0.00 0.00 0.00 61 M 8.84 4.01 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 62 A 7.84 4.43 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 63 N 7.86 4.80 0.00 2.72 2.82 0.00 0.00 7.24 8.15 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 64 D 8.63 4.37 0.00 2.75 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 65 K 8.13 4.03 0.00 2.13 1.91 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.61 4.01 0.00 1.79 1.87 1.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.39 4.00 0.00 2.06 2.06 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 68 G 8.46 3.63 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 0.00 0.00 0.00 69 H 8.53 4.19 0.00 3.38 3.65 0.00 5.79 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 70 S 8.44 4.09 0.00 4.06 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 71 I 8.06 3.77 1.96 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 1.58 1.51 1.16 0.00 0.00 72 T 8.00 4.11 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 73 L 8.21 3.87 0.00 1.64 1.78 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.92 4.23 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.90 0.00 75 Y 7.90 4.00 0.00 3.15 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 76 A 7.63 3.44 0.16 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 77 L 7.32 3.49 0.00 1.32 0.93 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.90 3.70 0.00 2.43 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 79 N 7.77 4.27 0.00 2.91 2.89 0.00 0.00 7.30 6.34 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 80 F 7.71 4.59 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.78 3.57 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.91 0.00 0.00 82 D 8.23 4.53 0.00 2.82 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 83 Q 7.74 4.43 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 84 L 7.51 3.96 0.00 1.53 1.67 0.81 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.92 4.53 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 86 N 8.07 4.87 0.00 2.69 2.66 0.00 0.00 7.07 7.15 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 87 P 0.00 4.13 0.00 2.37 2.12 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 88 D 8.23 4.94 0.00 2.94 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 89 D 8.27 4.37 0.00 2.87 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 90 L 8.12 3.91 0.00 1.85 1.53 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.84 3.37 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 -0.01 0.00 0.00 92 C 7.90 4.16 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.86 3.73 2.37 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 0.95 0.00 0.00 1.35 0.00 0.00 94 V 8.24 3.73 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 0.78 0.00 0.00 0.40 0.00 0.00 95 E 8.50 3.99 0.00 2.15 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 2.36 2.42 0.00 96 K 7.82 3.79 0.00 1.77 1.70 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.39 7.81 97 F 8.47 4.64 0.00 3.42 3.24 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 98 A 8.63 3.96 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 99 V 7.88 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 100 N 8.07 4.32 0.00 3.10 2.87 0.00 0.00 6.98 9.02 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 0.00 101 H 7.87 4.41 0.00 3.37 3.42 0.00 5.82 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 0.00 102 I 8.27 3.72 1.86 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 1.55 0.68 0.90 0.00 0.00 103 T 7.82 4.00 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 1.26 0.00 0.00 104 R 7.64 4.39 0.00 1.76 1.79 0.00 3.33 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 105 K 7.87 3.78 0.00 1.89 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 106 I 7.53 4.17 2.00 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 1.28 0.71 1.03 0.00 0.00 107 S 8.72 4.46 0.00 4.08 4.04 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 0.00 108 A 8.53 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.94 4.02 1.35 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 0.00 0.00 0.00 110 E 8.29 4.14 0.00 2.29 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 0.00 2.47 2.41 0.00 111 F 8.75 4.16 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 3.83 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 0.00 0.00 0.00 113 K 8.07 4.05 0.00 1.96 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.72 7.81 114 I 7.65 3.74 1.58 0.00 0.00 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 1.29 1.30 0.71 0.00 0.00 115 N 8.24 4.43 0.00 2.92 2.88 0.00 0.00 6.71 7.73 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 0.00 116 G 7.73 3.57 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 0.00 0.00 0.00 117 P 0.00 4.20 0.00 2.03 2.12 0.00 3.67 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 1.98 2.09 0.00 118 I 7.90 3.50 1.93 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 1.16 0.60 0.69 0.00 0.00 119 K 8.21 3.93 0.00 1.95 1.99 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 7.98 3.98 0.00 1.97 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 121 V 8.03 3.53 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 0.90 0.00 0.00 0.88 0.00 0.00 122 L 8.26 4.09 0.00 1.95 2.02 1.01 0.45 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 0.00 123 A 8.24 4.21 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 0.00 124 S 7.89 4.17 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 6.95 4.41 0.00 2.08 1.86 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.53 7.81 126 N 8.03 4.08 0.00 2.61 2.75 0.00 0.00 6.85 7.05 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 0.00 127 F 8.07 4.36 0.00 3.09 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 0.00 128 G 8.58 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 0.00 0.00 0.00 0.00 129 D 8.89 4.45 0.00 2.75 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 0.00 130 K 8.17 3.84 0.00 1.75 1.58 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.58 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.19 1.40 7.81 131 Y 8.09 4.12 0.00 3.43 3.22 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 0.00 132 A 8.33 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.68 4.31 0.00 2.91 2.89 0.00 0.00 6.92 8.53 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 0.00 134 A 8.13 3.93 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 0.00 135 W 8.58 3.91 0.00 3.58 3.35 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 0.00 136 A 8.43 4.53 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 0.00 137 K 7.69 3.93 0.00 1.89 1.82 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 138 L 7.68 3.92 0.00 1.41 1.64 0.63 0.94 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 0.00 139 V 8.30 3.76 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 1.16 0.00 0.00 140 A 8.12 4.58 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.27 3.42 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 0.60 0.00 0.00 0.81 0.00 0.00 142 V 7.48 3.48 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.73 0.00 0.00 143 Q 8.21 3.88 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 144 A 7.90 4.03 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 0.00 145 A 7.68 4.32 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 0.00 146 L 7.61 4.21 0.00 1.68 1.50 0.57 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00