NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2055 8.2644 123.5916 51.5236 20.0576 175.7650 3 S 4.1437 8.5300 115.9353 57.2996 62.9470 167.7853 4 V 5.1493 8.0695 126.0990 59.8949 35.1064 174.3952 5 R 4.7811 9.4678 118.1396 54.6619 33.1645 173.7149 6 I 5.0593 8.3055 121.1911 59.9427 39.3678 174.9721 7 R 4.7599 8.7357 121.3999 54.7681 33.3662 173.9713 8 E 4.6823 8.7695 119.3093 56.3363 30.0900 177.0278 9 A 4.5520 9.5078 126.6234 51.9232 19.4015 177.1409 10 K 4.6358 9.6350 120.2464 54.0789 35.1155 177.1508 11 E 2.0000 8.0305 121.5438 59.2378 29.0003 179.4778 12 G 3.6839 7.6495 103.1490 46.5489 0.0000 174.2373 13 D 4.6287 8.6955 121.4530 55.4839 41.0712 177.9389 14 C 4.2369 7.8798 118.1588 62.6294 28.0530 176.2052 15 G 3.5749 7.9718 106.8820 48.0529 0.0000 175.4641 16 D 4.4630 8.0559 121.2787 56.8139 40.8903 178.8294 17 I 3.8175 8.0603 120.8658 64.3618 37.0572 178.2656 18 L 3.9372 8.1600 121.3689 57.8764 41.8472 178.8143 19 R 3.9080 8.1709 118.7980 59.4892 30.0561 178.4938 20 L 4.3219 8.2003 118.6530 57.9847 41.6829 179.4925 21 I 3.7406 8.0188 119.6986 64.6144 37.0034 178.7495 22 R 3.9467 8.3800 119.1575 59.2240 29.6314 178.9669 23 E 3.9886 8.0928 117.7144 59.3022 29.6472 178.8218 24 L 3.8720 7.7037 120.0885 58.0424 42.0587 178.6128 25 A 3.9779 7.9776 120.5571 55.4913 18.1872 179.2594 26 E 3.9120 8.4839 117.6094 59.2160 29.4148 178.9088 27 F 4.2309 8.3076 121.1012 61.1150 39.5584 175.5357 28 E 4.0540 8.2328 116.6597 55.5582 29.3360 176.1017 29 K 3.8716 7.4347 117.2418 57.9169 30.2277 175.6496 30 L 4.7707 8.0907 115.3576 54.6151 42.8814 179.1069 31 S 4.1026 8.4680 116.6548 62.1873 62.6569 176.7363 32 D 4.1094 8.1519 117.3294 56.8017 40.6470 177.5108 33 Q 4.1766 8.0383 116.7267 55.9912 29.1436 176.0126 34 V 3.9108 8.3746 120.0722 62.2085 30.6863 175.3503 35 K 4.4596 8.2760 125.9158 56.0617 33.9911 176.9666 36 I 3.8248 7.5856 118.4508 60.8938 38.6727 174.9709 37 S 4.7872 8.0505 117.3229 55.6965 66.7812 174.5509 38 E 3.9208 8.5801 126.1678 59.4966 29.4263 179.0214 39 E 3.9997 8.1791 117.9798 59.2326 29.4591 179.0760 40 A 3.9867 7.8200 120.4004 55.1464 18.3536 179.3476 41 L 3.9346 7.9579 116.5702 58.0986 41.9646 179.9216 42 R 4.4119 8.2082 117.6267 59.3118 30.1743 179.0091 43 A 4.0624 8.4273 120.8057 55.3370 18.5353 179.1227 44 D 4.8605 9.0360 117.0235 56.1032 40.6474 178.4498 45 G 3.4268 7.8145 104.5798 45.8710 0.0000 173.3259 46 F 4.8820 8.2819 118.2204 56.9432 40.7900 175.0911 47 G 4.2201 7.6090 111.0948 45.4159 0.0000 172.0645 48 D 3.5922 8.4511 113.8979 56.6795 40.8000 177.7408 49 N 4.7246 8.5827 130.4132 50.4605 40.0312 172.1820 50 P 4.3318 0.0000 0.0000 63.1928 31.4885 177.1498 51 F 4.1523 9.4966 120.0936 59.8170 39.2138 174.6436 52 Y 5.2336 7.0936 116.4280 56.2432 41.1394 173.6508 53 H 4.5816 9.5792 116.5716 53.9285 33.0648 172.5619 54 C 5.4162 8.4502 120.3945 57.8703 35.1867 172.2571 55 L 5.3098 9.4098 126.3553 53.2945 43.9335 175.8348 56 V 5.0071 9.1013 116.2715 59.5337 35.4618 174.5393 57 A 4.9814 8.8277 126.5572 50.7557 20.3478 175.7150 58 E 4.9181 9.3162 123.9903 54.9053 32.4880 176.6832 59 I 4.4961 8.4220 127.7323 63.8378 37.6693 176.2641 *70 C 4.0956 7.8812 124.9697 58.9904 31.6499 172.6152 71 V 4.3681 8.2930 127.6580 62.4282 31.8415 175.7172 72 V 4.2329 8.0415 119.4770 61.0421 33.4057 175.2248 73 G 4.1464 7.6682 106.6254 46.0470 0.0000 171.6709 74 Y 5.5537 8.1356 117.6678 55.7400 42.2269 173.9772 75 G 4.7114 9.8794 106.9291 44.7301 0.0000 171.6049 76 I 5.4321 8.9191 124.9322 59.7671 40.7854 174.3556 77 Y 5.0550 8.5943 125.0726 56.5571 42.1687 172.7657 78 Y 4.8094 7.4056 115.8036 57.4931 41.7638 172.4886 79 F 5.3890 9.4440 117.9381 56.1457 41.6487 175.1094 80 I 4.7620 8.5603 113.8392 60.1561 41.1472 174.2004 81 Y 4.8316 8.1896 119.4460 56.7196 39.0335 176.3022 82 S 4.9747 8.2715 132.1000 57.8387 62.0236 176.3882 83 T 4.6834 8.4238 115.9089 63.1181 71.7027 174.2814 84 W 4.6584 8.4341 132.4241 59.6995 31.1399 176.8097 85 K 4.5837 7.9188 112.6709 55.4877 33.7554 177.9681 86 G 3.7785 8.1897 106.4265 44.6229 0.0000 173.6630 87 R 3.7735 7.7147 119.0494 56.7885 30.9146 176.4595 88 T 4.5442 8.1408 115.0760 62.7341 73.2326 172.4280 89 I 3.8230 8.0047 125.2065 60.1355 39.7097 173.8424 90 Y 4.6741 8.3261 128.9316 55.5449 41.9848 173.5800 91 L 4.1720 7.5259 129.2681 54.4674 42.3347 175.6661 92 E 4.7384 8.5558 126.8010 57.3033 31.5630 175.2266 93 D 4.7114 7.7727 115.2286 53.8211 44.6030 174.7951 94 I 5.2495 8.5177 124.0965 60.2206 41.4619 173.7538 95 Y 4.8360 8.3248 126.5651 54.8913 42.4618 172.8309 96 V 4.2652 7.1544 124.6414 60.9845 31.6610 174.6591 *98 P 4.3321 0.0000 0.0000 62.2915 32.5996 177.8618 99 E 3.9779 8.1811 115.2728 58.3600 29.6577 176.8833 100 Y 4.5589 7.6629 115.1309 57.3777 39.0634 175.6758 101 R 4.1321 7.6707 119.5487 57.3487 30.5268 177.3701 102 G 3.9342 8.8157 108.3905 45.8740 0.0000 174.0393 103 Q 4.2315 7.5553 116.6335 55.4023 29.4330 176.7083 104 G 3.9521 8.1702 106.5183 46.3360 0.0000 175.6293 105 I 3.7665 7.8084 122.0588 64.2475 37.2140 178.4555 106 G 3.6677 8.0228 106.0448 47.8873 0.0000 175.7422 107 S 4.1901 7.9899 116.9471 61.4369 62.4287 176.7933 108 K 4.0239 8.4553 121.6345 59.2672 31.8149 179.5933 109 I 3.7762 8.1363 120.7112 64.4537 37.0556 178.4915 110 I 3.7410 7.6999 120.5118 64.1950 36.9216 178.1772 111 K 3.7506 7.7188 120.2952 59.5534 31.8718 178.6930 112 K 4.2372 7.6937 120.0019 58.9681 32.2216 178.9760 113 V 3.1684 7.6110 117.9001 65.7800 31.3464 177.9126 114 A 4.2830 8.2408 120.6489 55.2410 17.9193 179.5006 115 E 3.9501 8.1950 117.1664 59.2004 29.4367 179.7712 116 V 3.5941 7.8465 118.3714 65.8627 31.6111 177.5967 117 A 4.0957 7.6548 119.9492 55.5688 18.2130 179.5788 118 L 4.0815 7.8948 117.0523 58.0780 41.4947 179.3940 119 D 4.4152 8.3210 117.0501 56.6544 41.2106 177.6120 120 K 4.3332 7.8768 117.4161 56.6088 32.4160 177.5142 121 G 3.9636 8.0265 107.4872 45.3076 0.0000 172.3558 122 C 4.7970 8.3980 119.7788 57.2925 33.3559 173.7315 123 S 4.6583 8.7369 119.5851 58.0057 63.5207 173.1173 124 Q 4.5200 7.8368 121.2091 54.7505 30.2322 174.1167 125 F 5.0117 8.7519 126.3099 56.2659 42.0163 173.8576 126 R 4.8245 7.9106 125.5820 54.5944 34.0044 173.5856 127 L 3.7135 7.4344 120.9988 55.5014 42.6561 172.8003 128 A 4.8653 8.5551 120.7396 50.2738 21.8902 175.4858 129 V 4.4577 8.0967 119.3947 60.6479 34.6709 175.4465 130 L 4.1497 7.8788 125.7339 53.9925 42.2407 177.8204 131 D 4.3643 8.6676 122.4377 56.0938 39.3417 178.0471 132 W 4.2038 7.7118 116.0414 58.7882 28.5173 175.2013 133 N 3.8317 5.9840 117.1788 54.0358 37.7780 173.7617 134 Q 4.4567 8.6827 125.5537 55.9718 30.3015 175.4576 135 R 4.2675 7.7311 114.6403 58.7544 31.8855 178.3333 136 A 3.4055 7.5018 117.4918 53.4198 18.1864 178.6920 *138 D 4.5833 7.9695 118.5079 55.1578 43.1907 177.6496 139 L 4.0566 7.8121 120.8397 58.3217 42.1935 178.2899 140 Y 4.4303 8.1174 116.8892 61.0950 37.7110 179.0622 141 K 4.8382 8.3097 120.1856 58.8981 32.1197 178.5636 142 A 4.2139 7.6445 117.9189 53.6076 18.3223 178.2987 143 L 4.4596 8.0886 116.0247 54.1168 42.9003 176.1461 144 G 3.4847 7.3832 105.5365 45.0295 0.0000 173.8307 145 A 4.4003 8.1372 124.6149 51.4294 19.8952 176.5635 146 Q 4.6651 8.1708 117.6479 54.4472 32.3564 174.7527 147 D 4.5090 8.8421 122.5798 55.0541 41.7276 175.9174 148 L 4.7680 8.5436 123.2862 56.0584 43.5968 178.9473 149 T 4.5944 8.1713 113.7356 65.4027 68.8098 175.5841 150 E 4.0555 8.9295 121.2895 57.7004 29.6983 175.6540 151 A 4.5150 7.2371 119.9697 53.3038 21.2705 177.6244 152 E 4.0283 8.2322 119.9697 57.1050 30.2644 178.7687 153 G 3.9180 7.8118 105.2383 44.8756 0.0000 173.6207 154 W 4.4757 7.9648 121.0648 57.1905 29.3978 174.7880 155 H 5.1846 9.1749 120.4318 53.8070 30.6489 173.8594 156 F 4.5519 9.1192 126.3451 58.0266 38.5395 174.0851 157 F 4.7756 8.9750 126.9894 55.9824 40.5122 175.3857 158 C 4.9617 8.4786 123.7505 57.8164 34.0107 173.4742 159 F 4.5752 9.1991 126.3008 56.3377 38.2535 176.0883 160 Q 4.5642 8.2588 126.3922 54.4543 31.9319 175.9638 161 G 3.8372 8.7303 106.2772 48.6995 0.0000 175.1222 162 E 3.9289 8.2010 121.1399 58.9850 29.7308 178.6290 163 A 4.0770 7.9985 120.2269 55.8522 18.5237 178.8112 164 T 3.8658 8.4470 114.3884 66.9885 68.5991 176.4339 165 R 3.9410 8.2227 118.8008 59.6555 30.3584 179.0708 166 K 4.0612 7.9258 118.8469 59.6020 31.9516 178.8810 167 L 4.0789 7.9684 118.2192 57.5351 41.6755 178.7253 168 A 4.2046 7.8889 118.6527 53.0816 18.4019 177.3189 169 G 4.0558 8.2736 104.8273 45.3873 0.0000 174.2395 170 K 4.1299 7.2598 121.4578 56.8577 32.0016 176.0858 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 A 8.26 4.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.14 0.00 4.02 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 4 V 8.07 5.15 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 0.85 0.00 0.00 0.93 0.00 0.00 5 R 9.47 4.78 0.00 1.82 2.01 0.00 2.75 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 6 I 8.31 5.06 1.89 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 1.41 0.92 0.96 0.00 0.00 7 R 8.74 4.76 0.00 1.89 2.02 0.00 2.81 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 8 E 8.77 4.68 0.00 1.96 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 0.00 2.44 2.42 0.00 9 A 9.51 4.55 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 10 K 9.63 4.64 0.00 1.69 1.62 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.36 7.81 11 E 8.03 2.00 0.00 1.38 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 12 G 7.65 3.68 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 13 D 8.70 4.63 0.00 2.74 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 14 C 7.88 4.24 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.97 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 16 D 8.06 4.46 0.00 2.89 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 17 I 8.06 3.82 2.00 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 1.47 0.98 0.58 0.00 0.00 18 L 8.16 3.94 0.00 1.81 1.66 0.89 0.85 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 19 R 8.17 3.91 0.00 2.01 2.18 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 20 L 8.20 4.32 0.00 2.34 2.14 1.18 1.00 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 21 I 8.02 3.74 2.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.88 0.00 0.00 22 R 8.38 3.95 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 23 E 8.09 3.99 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 24 L 7.70 3.87 0.00 0.52 1.44 1.04 0.89 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 25 A 7.98 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.48 3.91 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 27 F 8.31 4.23 0.00 3.06 3.36 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 28 E 8.23 4.05 0.00 1.99 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 2.42 2.67 0.00 29 K 7.43 3.87 0.00 1.77 1.82 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.43 7.81 30 L 8.09 4.77 0.00 1.63 1.59 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.47 4.10 0.00 3.87 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 32 D 8.15 4.11 0.00 2.65 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 33 Q 8.04 4.18 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 34 V 8.37 3.91 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 35 K 8.28 4.46 0.00 1.73 1.78 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.32 7.81 36 I 7.59 3.82 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.86 0.00 0.00 37 S 8.05 4.79 0.00 3.85 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 38 E 8.58 3.92 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 39 E 8.18 4.00 0.00 2.02 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 2.40 2.33 0.00 40 A 7.82 3.99 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 41 L 7.96 3.93 0.00 1.86 1.91 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.21 4.41 0.00 2.11 2.29 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 43 A 8.43 4.06 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 44 D 9.04 4.86 0.00 2.91 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 45 G 7.81 3.43 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 0.00 0.00 0.00 46 F 8.28 4.88 0.00 3.28 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 47 G 7.61 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 0.00 0.00 0.00 0.00 48 D 8.45 3.59 0.00 2.66 2.45 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 49 N 8.58 4.72 0.00 2.48 2.58 0.00 0.00 6.82 8.02 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 50 P 0.00 4.33 0.00 1.85 1.71 0.00 3.62 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 1.76 1.73 0.00 51 F 9.50 4.15 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.09 5.23 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 9.58 4.58 0.00 1.47 2.73 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.45 5.42 0.00 3.27 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 55 L 9.41 5.31 0.00 1.76 1.67 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.14 5.55 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.88 4.71 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 76 I 8.92 5.43 1.92 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.91 0.00 0.00 77 Y 8.59 5.06 0.00 2.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.41 4.81 0.00 3.11 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 79 F 9.44 5.39 0.00 2.96 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 80 I 8.56 4.76 1.90 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 1.37 0.97 0.96 0.00 0.00 81 Y 8.19 4.83 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 82 S 8.27 4.97 0.00 3.95 3.43 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 83 T 8.42 4.68 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 84 W 8.43 4.66 0.00 3.37 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 85 K 7.92 4.58 0.00 1.65 1.67 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.33 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.97 1.14 7.81 86 G 8.19 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 87 R 7.71 3.77 0.00 1.51 1.79 0.00 3.18 0.00 0.00 3.71 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.75 0.00 88 T 8.14 4.54 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 1.16 0.00 0.00 89 I 8.00 3.82 1.21 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.40 0.28 0.00 0.00 90 Y 8.33 4.67 0.00 2.85 2.45 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 91 L 7.53 4.17 0.00 1.40 1.26 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.56 4.74 0.00 2.04 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 0.00 2.48 2.43 0.00 93 D 7.77 4.71 0.00 2.93 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.52 5.25 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.93 0.00 0.00 95 Y 8.32 4.84 0.00 2.81 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 96 V 7.15 4.27 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.79 0.00 0.00 *98 P 0.00 4.33 0.00 2.13 1.93 0.00 3.62 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 1.85 1.86 0.00 99 E 8.18 3.98 0.00 1.77 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 100 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.09 4.46 0.00 1.76 1.69 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.38 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 0.00 145 A 8.14 4.40 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 0.00 146 Q 8.17 4.67 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 147 D 8.84 4.51 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 148 L 8.54 4.77 0.00 1.94 2.02 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.17 4.59 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 1.32 0.00 0.00 150 E 8.93 4.06 0.00 1.96 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 2.35 2.42 0.00 151 A 7.24 4.51 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 0.00 152 E 8.23 4.03 0.00 2.37 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 2.51 2.50 0.00 153 G 7.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 W 7.96 4.48 0.00 3.71 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 0.00 155 H 9.17 5.18 0.00 3.46 3.55 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 9.12 4.55 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.98 4.78 0.00 3.19 3.21 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 0.00 158 C 8.48 4.96 0.00 3.14 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 9.20 4.58 0.00 3.00 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 0.00 160 Q 8.26 4.56 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 161 G 8.73 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 0.00 0.00 0.00 162 E 8.20 3.93 0.00 2.06 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 2.40 2.40 0.00 163 A 8.00 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 8.45 3.87 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 1.24 0.00 0.00 165 R 8.22 3.94 0.00 1.90 2.02 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 166 K 7.93 4.06 0.00 1.91 1.99 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 167 L 7.97 4.08 0.00 1.88 1.74 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.89 4.20 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 0.00 169 G 8.27 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.26 4.13 0.00 1.97 1.79 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.