NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.6114 8.4444 117.3786 53.9064 30.4750 172.4927 3 Y 4.5595 7.9607 118.5362 56.5836 38.7529 173.4619 4 Q 4.3651 7.8034 127.5279 52.9175 30.0057 173.2519 5 P 4.2951 0.0000 0.0000 61.4947 32.7626 177.4282 6 K 4.1819 8.2967 118.2723 56.3766 32.7207 178.2199 7 Q 3.7370 8.6745 121.9274 58.0397 29.3950 177.0122 8 D 4.7490 7.9130 116.4222 53.2087 39.8988 177.4683 9 L 3.9444 7.9525 124.1456 58.6628 42.1429 178.1454 10 L 4.6101 8.2773 116.3677 54.1934 41.8590 175.7735 11 Q 4.4518 7.6801 120.1162 57.2377 29.1368 176.3123 12 N 4.4046 8.9397 120.4772 53.7765 36.2905 173.5564 13 R 4.7110 7.9137 118.3877 54.8434 32.4710 175.4097 14 I 4.7788 8.9890 125.3246 60.0710 38.8859 174.7436 15 I 4.8735 8.5682 128.5222 59.2506 40.4120 174.4111 16 L 4.8714 8.8116 129.8282 53.7072 43.9950 175.1739 17 V 4.9576 8.8556 126.2694 61.3619 32.7826 174.6880 18 T 4.6381 8.9379 118.6056 60.8607 71.4626 174.6946 19 G 3.9275 8.6238 108.2465 46.8714 0.0000 175.1398 20 A 4.3050 8.1522 122.6418 53.1194 18.8665 180.0933 21 S 4.3247 7.8713 109.1895 59.2743 63.9041 172.8894 22 D 4.3956 8.0447 119.5286 53.8225 44.9029 176.4036 23 G 3.7779 8.2437 110.9718 46.2775 0.0000 176.0236 24 I 3.6281 8.4876 121.5699 64.1636 36.8221 177.9654 25 G 3.9897 7.9187 107.3967 47.1236 0.0000 175.4951 26 R 4.3059 7.8521 122.4492 58.7472 30.1231 178.2459 27 E 3.7934 7.9882 118.7141 59.0599 29.5945 178.5294 28 A 3.3795 8.1112 120.9968 54.8137 18.3785 179.4191 29 A 3.9654 8.0627 119.4067 55.3675 18.5255 179.8327 30 L 3.9586 7.9518 117.4601 58.2988 41.7854 180.0488 31 T 4.0178 8.2505 115.9985 66.9159 68.4377 176.4391 32 Y 4.5483 8.4224 118.8094 61.2297 37.8599 178.6825 33 A 4.3036 8.2422 121.6845 55.3556 18.3000 179.9469 34 R 4.0139 8.1045 115.4402 58.7472 30.1976 177.1942 35 Y 5.0249 7.5157 115.0469 57.0927 37.9936 177.1954 36 G 3.9902 8.3353 109.1063 44.9390 0.0000 173.9357 37 A 4.5469 7.8208 121.0551 52.0491 19.7299 177.9523 38 T 4.3536 8.9697 117.6283 62.5751 69.3401 174.2114 39 V 4.6594 8.3409 126.7431 61.6149 33.3595 174.9522 40 I 4.7445 8.5991 127.7643 59.5892 39.9962 174.2959 41 L 4.9731 8.9688 127.4669 53.2645 43.6487 175.5657 42 L 5.4346 8.0752 123.8465 52.3715 45.2739 176.0950 43 G 4.4495 8.2217 107.9446 46.6837 0.0000 173.3676 44 R 4.3436 8.9026 114.4729 56.2314 31.1884 176.0433 45 N 4.6147 7.7872 117.1160 51.7023 39.4884 174.2742 46 E 3.3856 8.6151 129.5723 59.3189 29.8426 178.4035 47 E 3.7946 8.0086 116.8543 59.3155 29.6060 179.1285 48 K 3.8877 8.2000 119.3993 59.0394 32.0454 179.3478 49 L 3.7366 7.5865 119.2387 57.7063 41.4774 179.5590 50 R 3.4903 7.4174 118.8651 59.0540 29.8865 178.5782 51 R 3.8117 7.6173 118.1290 59.4016 30.1442 178.7160 52 V 3.5355 7.6649 117.8410 65.9181 31.4256 177.8119 53 A 4.0761 8.1905 120.7508 55.2385 18.1725 179.4321 54 Q 3.9067 8.3014 118.1685 59.3933 28.9462 177.8442 55 H 4.0498 8.2460 119.4233 59.3166 29.9328 177.4008 56 I 3.7535 7.9494 121.3938 64.3347 36.8833 178.2825 57 A 4.3309 8.2214 123.2120 54.7596 17.9513 179.3974 58 D 4.2285 8.0987 116.6857 57.3238 40.9087 178.3509 59 E 4.1312 7.6762 117.9293 58.4085 29.0662 178.0547 60 Q 4.3540 8.6164 116.3639 55.1577 29.1264 176.2263 61 H 4.3726 8.1014 115.8669 56.2328 26.7387 174.6159 62 V 4.2987 7.2260 119.1205 61.1988 34.1578 173.8188 63 Q 4.4156 8.7434 129.0939 54.7800 29.0463 173.5916 64 P 4.6358 0.0000 0.0000 62.5439 32.6860 175.7440 65 Q 4.4052 8.4902 118.6573 55.1376 30.3475 174.7896 66 W 5.6243 7.6197 117.8942 54.8929 31.6640 174.4522 67 F 5.0482 9.4711 119.2597 56.1612 42.8934 173.7137 68 T 4.9956 8.8984 113.4057 60.7210 70.4892 174.2214 69 L 4.3623 8.9023 126.8629 54.4507 45.6809 174.0030 70 D 4.7109 8.8036 126.9968 52.7159 41.1165 176.7683 71 L 4.1528 8.4703 127.6422 57.1924 42.0540 178.6513 72 L 4.1442 8.5554 121.0537 57.4249 42.0490 177.4571 73 T 4.4423 7.8299 105.4232 61.2427 69.7375 174.2236 74 C 4.4708 7.8975 119.2555 58.3991 30.2373 173.9476 75 T 4.2345 9.1968 115.1414 60.3660 69.8083 175.3219 76 A 3.9610 8.7973 124.1693 55.6728 18.3548 179.7719 77 E 3.9538 8.1941 115.3595 59.2562 28.7304 178.3108 78 E 4.1437 8.0714 117.5774 58.4789 29.5332 178.6242 79 C 4.2989 7.7574 117.3936 62.2933 28.6755 176.0629 80 R 3.9510 7.8621 119.0323 59.1766 29.5985 179.0062 81 Q 3.9953 7.8980 117.9582 58.8464 28.6879 178.8094 82 V 3.4639 7.1986 116.0147 65.8328 31.4659 177.9608 83 A 3.8938 7.8087 120.1331 55.1732 18.2691 179.3741 84 D 4.2806 8.1677 117.4383 57.5401 40.4189 179.2229 85 R 4.0004 7.9586 118.6308 59.1892 29.9675 179.2328 86 I 3.6679 7.5590 119.3725 64.4456 36.9276 178.3861 87 A 4.2699 8.3964 121.5747 54.4845 18.1757 179.2435 88 A 4.0354 7.8090 118.4524 54.6816 18.4917 177.9466 89 H 4.5428 7.6003 112.0780 55.8865 30.3106 174.4104 90 Y 4.8258 8.2574 117.2715 55.4615 41.2508 174.3619 91 P 4.5346 0.0000 0.0000 63.8806 32.1442 175.3897 92 R 4.4601 7.1404 113.5895 55.9663 31.5639 173.3513 93 L 4.6437 8.0401 117.3880 53.1980 44.3748 177.3735 94 D 4.5631 9.2099 124.0172 55.8025 42.2975 176.5749 95 G 4.3359 7.5132 104.2398 44.8592 0.0000 172.4106 96 V 4.6914 8.5598 122.2216 60.8597 35.0418 173.8090 97 L 4.7879 8.9811 131.4904 53.9232 43.7450 175.1783 98 H 4.9620 9.2142 126.1924 55.1995 27.8502 174.9853 99 N 4.9040 8.6173 119.9042 53.3860 40.5681 175.2457 100 A 4.1101 8.0319 121.3388 52.8857 18.9169 176.7495 101 G 4.2397 8.1602 108.0421 44.6287 0.0000 172.2772 102 L 4.7548 9.0069 123.3015 52.7779 44.3500 176.5165 103 L 3.9189 8.7299 128.0033 56.4057 42.9376 177.9892 104 G 3.7848 7.8357 105.8039 45.4383 0.0000 171.4254 105 E 4.2795 8.5743 121.6294 54.7735 30.9330 176.2289 106 I 4.0295 7.9043 126.7673 59.9239 38.0908 175.3481 107 G 4.0531 8.0054 115.0868 44.5608 0.0000 172.2594 108 P 4.8672 0.0000 0.0000 62.0242 30.4498 179.7480 *110 S 4.3354 8.6172 109.4659 57.4345 64.4834 174.2550 111 E 4.4646 8.0183 118.0633 55.9063 30.6544 176.1550 112 Q 4.0620 8.2069 117.7361 56.3757 29.2083 176.7565 113 D 4.4361 9.5326 123.2734 53.7930 42.3075 175.3654 114 P 4.2796 0.0000 0.0000 65.5120 31.3658 178.5465 115 Q 4.0368 8.4987 118.7978 59.1801 28.9268 178.2031 116 I 3.7526 8.0374 120.4866 63.9051 36.9819 177.8164 117 W 4.1519 8.2955 128.4980 60.9006 30.6144 177.7819 118 Q 4.3273 8.2188 116.3697 59.0667 28.3452 178.2196 119 D 4.5859 8.3645 120.1976 57.1509 40.8125 179.4145 120 V 3.8601 7.7650 115.4335 63.6523 31.2355 177.2722 *122 Q 4.2220 7.9881 119.4428 55.7670 29.7223 177.4220 123 V 3.5740 8.0471 116.9455 66.3383 31.4017 177.8705 124 N 4.7134 8.1745 114.6958 55.5562 38.5543 175.5921 125 V 4.2191 7.5833 116.3383 64.3428 33.3430 177.0403 126 N 4.4443 8.0278 115.8872 56.6274 38.8463 177.1115 127 A 4.1899 8.4367 120.8090 55.2629 18.7423 179.5105 128 T 4.0311 7.5343 114.8190 66.5843 68.4021 177.0150 129 F 4.2440 8.3881 119.1766 59.0848 39.1839 176.2338 *131 L 4.1645 7.8509 120.7171 54.9799 43.9645 178.8104 132 T 3.8784 7.9801 115.1602 66.8048 68.1643 176.1194 133 Q 3.9212 7.8868 119.9847 59.3575 29.0450 178.1910 134 A 4.0643 7.8094 119.9642 54.4165 18.8195 178.4579 135 L 4.3320 7.5874 115.4315 55.1925 42.1254 178.7175 136 L 3.9028 7.6473 119.7666 57.2556 41.2879 177.3452 137 P 4.2394 0.0000 0.0000 65.6692 31.3085 178.5751 138 L 3.8830 7.8054 117.0746 57.8508 41.5911 179.3933 139 L 4.4437 7.8053 120.1615 57.1917 41.3369 179.1207 140 L 4.2172 7.9923 117.0325 56.2082 41.7415 178.5412 141 K 4.2011 7.2358 117.3756 56.7307 32.5928 177.1169 142 S 4.3787 7.0097 113.5123 57.6669 62.9973 173.8378 143 D 4.4585 8.5597 124.6015 57.4337 41.0563 177.2841 144 A 5.1603 6.9692 118.6212 51.6527 20.1411 176.4193 145 G 3.6688 8.0683 109.4438 45.5782 0.0000 170.3254 146 S 4.9870 8.7928 116.6661 56.0780 65.5463 172.2534 147 L 4.9424 8.7544 129.9639 53.2628 44.1705 175.0071 148 V 4.9277 8.5966 126.4630 61.2254 34.4189 174.5453 149 F 5.0675 9.2212 126.2778 56.3822 42.0876 174.6930 150 T 4.9484 8.2705 116.8216 62.2128 70.7538 172.8811 151 S 4.9292 8.6952 125.5007 58.2372 65.3665 172.4203 152 S 4.8241 8.2154 110.6733 57.3538 65.0855 176.7938 153 S 4.0320 8.4927 117.9148 61.4861 62.5287 176.4582 154 V 4.5151 6.9758 110.7286 61.6460 31.4770 176.9136 155 G 3.6744 8.3831 109.3175 45.7492 0.0000 175.5242 156 R 3.7803 7.5342 114.2704 55.7909 31.7626 175.6113 157 Q 4.4867 7.9447 119.4470 53.7368 31.0717 174.3355 158 G 4.0817 9.0150 114.8785 45.7728 0.0000 172.2117 159 R 4.6714 8.2609 119.7199 53.3845 33.9846 174.7966 160 A 4.1555 8.6737 123.4615 54.3694 18.7870 177.8920 161 N 5.1178 8.9974 116.6767 54.1020 36.4936 175.4127 162 W 4.5253 8.7327 117.6154 57.6269 31.4202 179.8158 163 G 3.5962 7.9390 104.0018 44.4865 0.0000 177.4483 164 A 2.5800 6.3596 128.7054 54.6042 18.5756 179.3826 165 Y 3.9461 7.9742 117.2410 60.8503 38.9989 177.9966 166 A 4.0961 8.5544 121.8010 55.6521 18.5587 179.6734 167 T 3.7873 7.8437 114.4222 66.8204 68.5116 177.0486 168 S 4.0938 8.2047 116.3829 61.1361 63.0315 176.6602 169 K 3.9131 7.8860 122.1940 58.8352 31.7935 179.2500 170 F 4.0080 8.7559 119.3793 59.9090 38.6658 177.3347 171 A 3.9946 7.8540 118.8853 55.5380 18.1964 179.3644 172 T 3.7686 7.5524 112.8800 66.9434 68.6358 176.2668 173 E 4.1345 7.8080 118.9728 58.6039 31.0768 179.1684 174 G 3.8236 7.6598 106.7409 45.1795 0.0000 173.4685 *177 Q 4.2559 7.7903 122.4744 56.3221 31.7265 178.2921 178 V 3.5304 7.9218 116.9018 66.0651 31.5320 178.0278 179 L 4.1747 7.9801 117.9060 57.8491 41.3321 179.1376 180 A 4.1072 8.0514 118.9965 55.3135 18.5058 178.7383 181 D 4.4059 8.1473 116.4196 57.6161 41.1301 178.2458 182 E 3.8551 8.1027 117.8462 58.8151 29.6254 178.0179 183 Y 4.5328 7.7704 114.3186 57.5532 38.0731 177.2334 184 Q 3.8574 7.3973 122.3113 59.3709 29.1788 178.0093 185 N 4.7600 8.0339 111.4403 53.0525 38.1361 175.0681 186 R 4.5672 7.7866 119.9321 54.5149 32.2976 177.0359 187 S 4.2947 8.5040 112.2152 60.7426 64.0483 173.6529 188 L 4.9324 7.3539 124.0459 53.7500 42.8638 175.9101 189 R 4.7872 8.8301 122.9151 54.6193 32.5617 175.2472 190 V 4.9540 8.8323 120.4612 61.6852 34.7066 173.9481 191 N 5.3553 9.2595 123.6910 52.5601 43.9788 172.7543 192 C 5.3334 8.7529 116.1670 58.2348 32.3517 173.2645 193 I 4.8916 8.6176 121.5849 59.6048 40.1855 174.1853 194 N 5.0115 9.2518 126.4394 51.4231 39.4124 173.7490 195 P 4.2530 0.0000 0.0000 63.5088 31.7896 178.1200 196 G 3.9730 8.2426 104.4519 44.2189 0.0000 173.2059 197 G 3.7978 8.5771 107.4782 46.3358 0.0000 173.2521 198 T 4.8071 8.2008 120.8378 61.3968 72.2474 174.9199 199 R 4.1848 8.4831 125.6573 56.5324 28.2712 175.5249 200 T 4.8011 7.7524 113.3630 59.2795 72.4662 175.4710 201 S 4.1507 8.2706 114.9747 58.3774 62.7175 176.4309 *203 R 4.2439 8.2099 122.2195 57.5323 31.7271 176.8949 204 A 4.0715 7.9680 120.5510 55.2822 18.6269 179.8096 205 S 4.0499 7.9984 111.3107 61.4803 63.1607 175.8025 206 A 3.6101 7.8119 122.1247 54.2412 18.5316 177.4601 207 F 4.9547 8.1760 115.6364 54.4976 39.0429 173.9047 208 P 4.5909 0.0000 0.0000 64.5412 31.5589 178.3784 209 T 4.2747 7.8188 107.1447 61.9436 69.5857 174.6820 210 E 3.9160 7.8874 124.0670 56.1496 30.3667 175.6297 211 D 4.6310 8.4881 125.0511 52.5750 41.3139 175.2302 212 P 4.3790 0.0000 0.0000 65.3672 31.5673 178.6607 213 Q 4.1373 8.2136 116.2464 57.8726 28.6026 177.2588 214 K 4.1899 7.9696 116.3089 57.3799 32.5207 176.7025 215 L 4.7324 7.4250 118.7682 52.8765 43.7558 176.7365 216 K 4.4588 8.4680 120.1672 56.7448 33.4771 176.7217 217 T 4.6109 8.6258 113.3576 59.9556 70.2213 173.1758 218 P 4.2387 0.0000 0.0000 65.6579 31.6247 178.8591 219 A 3.9722 8.0327 119.7025 55.2988 18.4250 178.3422 220 D 4.4899 7.8794 114.7575 56.8544 40.2716 177.2616 221 I 4.1601 7.2949 114.5452 58.7967 36.5671 173.9527 *223 P 4.6168 0.0000 0.0000 63.2732 33.7769 178.8895 224 L 3.9410 7.5393 119.7509 58.3070 41.6460 178.5360 225 Y 4.0030 8.2194 115.3804 61.0649 37.9342 178.2651 226 L 4.3635 8.0668 118.3136 57.5723 41.9668 178.6443 227 W 4.2712 8.3928 127.4255 60.2915 30.5670 178.1756 228 L 3.8639 7.1710 115.7444 54.1777 40.1699 176.9034 *230 G 3.7229 7.8971 107.3407 45.1823 0.0000 174.2518 231 D 4.4114 8.2746 117.5876 56.7196 40.9235 178.8346 232 D 4.4124 8.0135 118.2610 56.3921 40.6221 177.0041 233 S 3.9494 6.8351 111.5477 57.2781 62.9715 176.1077 234 R 3.8069 7.3870 118.9509 59.2817 29.0030 177.6237 235 R 4.2867 7.8050 114.8569 55.9592 30.4926 175.7096 236 K 4.6265 7.8943 119.0151 54.8671 33.4811 175.6528 237 T 4.7092 7.6139 116.4409 61.4485 70.9385 172.3009 238 G 3.4783 9.0589 112.4551 46.3086 0.0000 174.4336 *240 T 4.1720 7.4254 112.1572 63.4782 70.3700 175.2265 241 F 4.8527 9.0421 125.6842 55.8141 41.5902 174.5549 242 D 5.2218 8.7103 123.0876 53.3359 41.1264 176.7473 243 A 4.1143 9.1469 126.4424 53.8039 19.2238 177.8003 244 Q 4.5369 7.6029 113.7442 52.9777 29.3672 173.5339 245 P 4.1858 0.0000 0.0000 65.7293 31.5547 178.4083 246 G 3.8736 7.8910 104.2272 45.0057 0.0000 173.2439 247 R 3.9957 7.7809 121.3517 55.2353 30.5710 175.9891 248 K 4.0365 8.5211 126.7955 55.5573 32.5512 174.8069 249 P 4.2516 0.0000 0.0000 63.6295 32.0015 176.6207 250 G 3.8023 8.4346 106.2866 44.0554 0.0000 172.7571 251 I 3.0718 7.5235 118.0831 60.1767 38.4222 176.2657 252 A 4.0159 8.4817 130.8175 52.4000 18.8169 177.6871 253 Q 4.1471 8.5157 120.2327 56.1575 28.9280 175.9684 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 H 8.44 4.61 0.00 2.95 3.05 0.00 7.15 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 3 Y 7.96 4.56 0.00 2.79 2.90 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 0.00 4 Q 7.80 4.37 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 5 P 0.00 4.30 0.00 2.14 1.66 0.00 3.45 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 6 K 8.30 4.18 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.44 7.81 7 Q 8.67 3.74 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 8 D 7.91 4.75 0.00 2.93 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 9 L 7.95 3.94 0.00 1.93 1.97 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.28 4.61 0.00 1.95 1.61 0.84 0.96 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 11 Q 7.68 4.45 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.20 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 12 N 8.94 4.40 0.00 2.94 2.97 0.00 0.00 7.02 7.66 0.00 0.00 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 R 7.91 4.71 0.00 1.77 1.75 0.00 3.22 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 14 I 8.99 4.78 1.82 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 1.30 0.62 0.66 0.00 0.00 15 I 8.57 4.87 1.76 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 0.90 0.59 0.72 0.00 0.00 16 L 8.81 4.87 0.00 1.58 1.41 0.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.86 4.96 2.15 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 1.14 0.00 0.00 1.13 0.00 0.00 18 T 8.94 4.64 4.30 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 1.23 0.00 0.00 19 G 8.62 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 0.00 0.00 0.00 20 A 8.15 4.30 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 21 S 7.87 4.32 0.00 3.93 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 22 D 8.04 4.40 0.00 2.61 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 23 G 8.24 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 0.00 0.00 0.00 0.00 24 I 8.49 3.63 1.97 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 1.49 0.57 0.63 0.00 0.00 25 G 7.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.85 4.31 0.00 2.02 2.06 0.00 3.08 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 27 E 7.99 3.79 0.00 2.03 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 2.14 2.22 0.00 28 A 8.11 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.06 3.97 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 30 L 7.95 3.96 0.00 1.82 1.74 0.79 0.65 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 31 T 8.25 4.02 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 1.27 0.00 0.00 32 Y 8.42 4.55 0.00 2.98 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 33 A 8.24 4.30 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.10 4.01 0.00 2.09 1.94 0.00 3.22 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 35 Y 7.52 5.02 0.00 3.14 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 36 G 8.34 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.82 4.55 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 38 T 8.97 4.35 4.30 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 1.40 0.00 0.00 39 V 8.34 4.66 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 0.88 0.00 0.00 1.12 0.00 0.00 40 I 8.60 4.74 1.80 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.35 1.15 0.00 0.00 41 L 8.97 4.97 0.00 1.80 1.68 0.99 0.32 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 42 L 8.08 5.43 0.00 1.80 1.60 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.22 4.45 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 0.00 44 R 8.90 4.34 0.00 1.94 2.08 0.00 3.04 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 45 N 7.79 4.61 0.00 2.73 2.69 0.00 0.00 6.85 7.65 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 46 E 8.62 3.39 0.00 2.06 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 2.16 2.02 0.00 47 E 8.01 3.79 0.00 2.15 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 2.37 2.37 0.00 48 K 8.20 3.89 0.00 1.86 1.95 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.55 7.81 49 L 7.59 3.74 0.00 0.96 1.12 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.42 3.49 0.00 1.43 1.71 0.00 3.14 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 51 R 7.62 3.81 0.00 1.98 2.02 0.00 3.10 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 52 V 7.66 3.54 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 0.98 0.00 0.00 0.86 0.00 0.00 53 A 8.19 4.08 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.30 3.91 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 55 H 8.25 4.05 0.00 3.44 3.44 0.00 5.84 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 56 I 7.95 3.75 2.05 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 1.50 0.65 0.96 0.00 0.00 57 A 8.22 4.33 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 58 D 8.10 4.23 0.00 2.73 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 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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 68 T 8.90 5.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 69 L 8.90 4.36 0.00 1.68 1.62 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.80 4.71 0.00 2.78 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 71 L 8.47 4.15 0.00 1.71 1.76 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.56 4.14 0.00 1.60 1.88 1.00 1.26 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 73 T 7.83 4.44 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 74 C 7.90 4.47 0.00 3.15 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 75 T 9.20 4.23 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 1.23 0.00 0.00 76 A 8.80 3.96 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 77 E 8.19 3.95 0.00 2.09 1.96 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 2.38 2.46 0.00 78 E 8.07 4.14 0.00 2.29 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 2.35 2.36 0.00 79 C 7.76 4.30 0.00 2.88 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 80 R 7.86 3.95 0.00 1.94 1.96 0.00 3.26 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 Q 7.90 4.00 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 82 V 7.20 3.46 2.15 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 0.78 0.00 0.00 1.01 0.00 0.00 83 A 7.81 3.89 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 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0.00 0.00 0.00 2.07 1.96 0.00 *110 S 8.62 4.34 0.00 4.01 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 0.00 111 E 8.02 4.46 0.00 2.08 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 2.24 2.24 0.00 112 Q 8.21 4.06 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 113 D 9.53 4.44 0.00 2.83 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 0.00 114 P 0.00 4.28 0.00 2.19 2.03 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 115 Q 8.50 4.04 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 116 I 8.04 3.75 1.94 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 1.55 0.63 0.94 0.00 0.00 117 W 8.30 4.15 0.00 3.46 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 0.00 118 Q 8.22 4.33 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 119 D 8.36 4.59 0.00 2.88 2.74 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 0.00 120 V 7.76 3.86 2.04 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 0.99 0.00 0.00 0.98 0.00 0.00 *122 Q 7.99 4.22 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 123 V 8.05 3.57 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 1.02 0.00 0.00 1.03 0.00 0.00 124 N 8.17 4.71 0.00 2.79 2.83 0.00 0.00 6.89 7.24 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 0.00 125 V 7.58 4.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.88 0.00 0.00 126 N 8.03 4.44 0.00 3.01 2.97 0.00 0.00 6.86 7.35 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 0.00 127 A 8.44 4.19 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 0.00 128 T 7.53 4.03 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 129 F 8.39 4.24 0.00 3.10 3.33 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 *131 L 7.85 4.16 0.00 1.86 1.71 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.98 3.88 4.52 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 1.36 0.00 0.00 133 Q 7.89 3.92 0.00 1.64 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 134 A 7.81 4.06 1.28 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 0.00 0.00 135 L 7.59 4.33 0.00 1.66 1.61 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.65 3.90 0.00 1.70 1.71 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.24 0.00 2.13 2.10 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 138 L 7.81 3.88 0.00 1.78 1.67 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.81 4.44 0.00 1.73 1.57 0.77 0.13 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 0.00 140 L 7.99 4.22 0.00 1.73 1.74 1.04 1.10 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 0.00 141 K 7.24 4.20 0.00 1.91 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.68 1.58 7.81 142 S 7.01 4.38 0.00 3.98 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 0.00 143 D 8.56 4.46 0.00 2.68 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 0.00 144 A 6.97 5.16 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 0.00 145 G 8.07 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.79 4.99 0.00 3.72 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 0.00 147 L 8.75 4.94 0.00 1.63 1.54 0.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.60 4.93 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 0.80 0.00 0.00 0.87 0.00 0.00 149 F 9.22 5.07 0.00 3.04 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 0.00 0.00 0.00 0.00 150 T 8.27 4.95 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 1.40 0.00 0.00 151 S 8.70 4.93 0.00 3.84 3.60 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 0.00 152 S 8.22 4.82 0.00 3.92 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 0.00 153 S 8.49 4.03 0.00 3.96 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 0.00 154 V 6.98 4.52 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 0.26 0.00 0.00 0.98 0.00 0.00 155 G 8.38 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.53 3.78 0.00 1.69 1.78 0.00 2.90 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 157 Q 7.94 4.49 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 158 G 9.02 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 0.00 159 R 8.26 4.67 0.00 1.67 1.84 0.00 3.17 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 160 A 8.67 4.16 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 0.00 161 N 9.00 5.12 0.00 2.97 2.99 0.00 0.00 7.56 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 0.00 162 W 8.73 4.53 0.00 3.62 3.45 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 0.00 163 G 7.94 3.60 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 0.00 164 A 6.36 2.58 0.79 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 0.00 165 Y 7.97 3.95 0.00 3.29 3.25 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 0.00 166 A 8.55 4.10 1.57 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 0.00 167 T 7.84 3.79 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 168 S 8.20 4.09 0.00 3.90 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 7.89 3.91 0.00 1.65 1.72 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.40 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.93 1.04 7.81 170 F 8.76 4.01 0.00 3.21 3.11 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 0.00 171 A 7.85 3.99 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 0.00 172 T 7.55 3.77 4.34 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 1.23 0.00 0.00 173 E 7.81 4.13 0.00 1.93 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 2.22 2.36 0.00 174 G 7.66 3.82 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 0.00 0.00 0.00 *177 Q 7.79 4.26 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 178 V 7.92 3.53 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 1.04 0.00 0.00 0.96 0.00 0.00 179 L 7.98 4.17 0.00 1.89 1.94 1.20 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.05 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.15 4.41 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 0.00 182 E 8.10 3.86 0.00 1.97 1.55 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 2.25 2.50 0.00 183 Y 7.77 4.53 0.00 3.07 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 0.00 184 Q 7.40 3.86 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 185 N 8.03 4.76 0.00 2.75 2.82 0.00 0.00 6.84 7.66 0.00 0.00 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 R 7.79 4.57 0.00 2.20 2.02 0.00 3.06 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 187 S 8.50 4.29 0.00 4.02 4.13 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 0.00 188 L 7.35 4.93 0.00 1.66 1.42 0.79 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.83 4.79 0.00 2.02 1.98 0.00 2.92 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 190 V 8.83 4.95 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 1.24 0.00 0.00 0.99 0.00 0.00 191 N 9.26 5.36 0.00 2.80 2.92 0.00 0.00 6.38 7.69 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 0.00 192 C 8.75 5.33 0.00 2.85 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 0.00 193 I 8.62 4.89 1.71 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.76 0.75 0.00 0.00 194 N 9.25 5.01 0.00 2.77 2.87 0.00 0.00 6.87 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 0.00 195 P 0.00 4.25 0.00 2.20 2.30 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 196 G 8.24 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 0.00 197 G 8.58 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 0.00 0.00 0.00 198 T 8.20 4.81 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 1.28 0.00 0.00 199 R 8.48 4.18 0.00 1.89 1.88 0.00 3.21 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 200 T 7.75 4.80 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 1.22 0.00 0.00 201 S 8.27 4.15 0.00 4.01 4.12 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 R 8.21 4.24 0.00 2.05 2.26 0.00 3.59 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 204 A 7.97 4.07 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 0.00 205 S 8.00 4.05 0.00 3.79 3.82 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 0.00 206 A 7.81 3.61 0.79 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 0.00 207 F 8.18 4.95 0.00 3.10 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 0.00 208 P 0.00 4.59 0.00 2.18 2.18 0.00 3.38 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 209 T 7.82 4.27 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 210 E 7.89 3.92 0.00 2.01 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 2.31 2.16 0.00 211 D 8.49 4.63 0.00 2.71 2.54 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 0.00 212 P 0.00 4.38 0.00 2.22 2.10 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 213 Q 8.21 4.14 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 214 K 7.97 4.19 0.00 1.89 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 215 L 7.42 4.73 0.00 1.66 1.60 1.04 0.88 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 0.00 216 K 8.47 4.46 0.00 1.70 1.73 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.43 7.81 217 T 8.63 4.61 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 1.21 0.00 0.00 218 P 0.00 4.24 0.00 2.11 2.03 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 219 A 8.03 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 D 7.88 4.49 0.00 2.90 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 0.00 221 I 7.29 4.16 2.01 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 1.39 0.86 0.96 0.00 0.00 *223 P 0.00 4.62 0.00 2.31 2.34 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 224 L 7.54 3.94 0.00 1.91 1.71 0.72 0.94 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 0.00 225 Y 8.22 4.00 0.00 2.99 3.06 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 0.00 226 L 8.07 4.36 0.00 1.96 1.80 0.22 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 227 W 8.39 4.27 0.00 2.60 3.11 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 0.00 228 L 7.17 3.86 0.00 1.61 1.54 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *230 G 7.90 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 0.00 0.00 0.00 231 D 8.27 4.41 0.00 2.77 2.69 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 0.00 232 D 8.01 4.41 0.00 2.59 2.90 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 0.00 233 S 6.84 3.95 0.00 2.73 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 0.00 234 R 7.39 3.81 0.00 1.86 2.00 0.00 3.11 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 235 R 7.81 4.29 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 236 K 7.89 4.63 0.00 1.82 2.04 0.00 2.01 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.85 7.81 237 T 7.61 4.71 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 238 G 9.06 3.48 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 0.00 *240 T 7.43 4.17 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 1.20 0.00 0.00 241 F 9.04 4.85 0.00 2.94 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 0.00 242 D 8.71 5.22 0.00 2.57 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 0.00 243 A 9.15 4.11 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 0.00 244 Q 7.60 4.54 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 245 P 0.00 4.19 0.00 2.15 2.19 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 246 G 7.89 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 0.00 247 R 7.78 4.00 0.00 1.80 1.90 0.00 3.47 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 248 K 8.52 4.04 0.00 1.72 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.50 7.81 249 P 0.00 4.25 0.00 2.05 1.93 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 250 G 8.43 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 0.00 0.00 0.00 251 I 7.52 3.07 1.30 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 1.12 0.44 0.81 0.00 0.00 252 A 8.48 4.02 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 0.00 253 Q 8.52 4.15 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.