NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3156 8.3044 120.6020 55.0906 33.9743 174.7943 2 K 3.9382 8.4165 126.8964 54.4625 32.1498 174.1540 3 T 5.0124 9.2789 117.9074 58.5803 74.3766 172.4664 4 P 4.2525 0.0000 0.0000 65.4780 31.2434 179.2106 5 I 3.7232 7.5479 118.6751 64.4674 37.2104 178.3262 6 T 3.9322 7.8905 110.5520 64.5200 68.5430 176.2964 7 E 3.8742 8.2511 122.3018 58.8602 29.6899 178.5550 8 A 3.9468 7.7385 120.4435 55.2478 18.4007 179.7429 9 I 3.6506 7.8340 118.1348 64.3550 37.1356 178.4848 10 A 3.9475 8.3038 121.7301 54.9985 18.0327 179.5246 11 A 3.8834 7.9876 118.9623 55.3778 18.4426 179.7807 12 A 3.9332 7.7948 118.8181 55.3375 18.4242 179.3981 13 D 4.2032 8.5100 117.2916 57.5501 41.0637 178.5725 14 T 3.9550 7.9614 109.6639 64.2574 68.8954 175.6867 15 Q 4.3755 7.7284 118.4274 54.6887 29.1588 175.7037 16 G 3.9573 7.8430 108.2296 46.4180 0.0000 173.6029 17 R 4.7233 7.8764 114.1446 53.3059 32.4705 175.0468 18 F 4.2403 8.6358 116.9572 56.8580 39.6128 175.6307 19 L 4.1680 8.4805 122.7029 55.0056 42.1570 176.6786 20 S 4.8793 9.4049 116.4872 55.8132 66.0624 174.3099 21 N 4.3452 8.6225 116.8601 56.9887 37.9155 176.6171 22 T 3.8511 7.7103 117.1625 66.8035 68.6736 176.2283 23 E 4.2673 8.0882 119.7122 59.0896 29.6951 179.0578 24 L 4.0366 7.9531 119.1865 57.8130 41.6419 179.5350 25 Q 4.0209 8.2027 117.9632 58.6480 28.5991 178.6164 26 A 3.9363 7.3825 122.3744 55.1898 18.3629 179.8875 27 V 3.2333 7.5337 116.3205 65.9076 31.4494 177.7577 28 D 4.4615 8.1585 118.1151 57.1932 41.0688 178.3246 29 G 3.6403 8.1547 106.3247 47.8757 0.0000 175.6263 30 R 3.8953 7.7354 120.9403 59.2229 29.8689 178.6840 31 F 4.6667 7.9484 116.9333 60.5865 39.3255 177.5667 32 K 4.2106 8.4673 118.4375 59.3895 31.9162 179.3495 33 R 4.0891 8.2561 118.4184 58.6726 29.9901 178.0705 34 A 4.0915 7.9396 120.5449 55.1094 18.1820 179.6411 35 V 3.4986 7.4725 115.5373 66.3101 31.6781 178.2024 36 A 4.0278 7.9470 119.8641 55.1516 18.2306 179.5481 37 S 4.1231 8.1411 113.6873 62.2184 62.8901 176.9462 38 M 4.0820 8.5855 121.6836 58.2307 31.7275 178.4090 39 E 3.9100 8.1322 118.9672 59.1741 29.8141 178.8397 40 A 3.9591 8.0295 120.4405 55.0714 18.5033 179.3541 41 A 3.9745 8.2791 119.6073 55.5173 18.3820 180.1095 42 R 3.8723 8.3623 116.5629 59.2102 30.1322 179.2034 43 A 3.9850 7.8741 120.0121 55.3173 18.2435 179.7114 44 L 4.0066 7.8006 116.0433 58.1845 42.0500 179.7652 45 T 4.0572 7.9446 115.7135 66.7729 68.2355 176.6324 46 N 4.4519 8.3732 117.4434 55.5236 38.8691 176.2603 47 N 4.9186 7.9203 115.6340 52.8163 39.0950 176.3845 48 A 4.0417 7.7026 125.0373 55.5003 18.3481 180.3332 49 Q 3.9132 8.0789 117.5488 59.4467 29.1267 178.5484 50 S 4.1426 8.0400 114.7707 61.4234 63.0281 176.2562 51 L 4.1651 7.9490 122.3017 57.6118 41.3848 179.5873 52 I 3.7105 8.0397 119.8849 64.4236 37.0815 178.2306 53 D 4.3957 8.3921 120.0907 57.3625 40.6952 179.1770 54 G 3.4047 8.5718 107.5581 46.9855 0.0000 175.6244 55 A 3.2428 7.8838 123.1894 54.4741 18.3670 179.5310 56 A 3.4143 7.7168 119.2022 55.3504 18.4503 179.9736 57 Q 3.9136 7.5813 115.7446 58.8213 28.6833 178.7896 58 A 3.8820 7.4244 121.9752 54.9521 18.2415 179.9305 59 V 3.4967 7.2174 116.6435 66.4274 31.5066 177.9894 60 Y 4.2370 7.2576 116.3314 61.0381 37.3499 178.6420 61 Q 4.0093 7.9228 118.5282 58.5448 28.9903 178.0017 62 K 3.9603 7.7646 119.9046 57.6889 33.5912 176.9574 63 F 5.0056 7.9698 118.3218 54.2828 39.1124 173.6803 64 P 4.5409 0.0000 0.0000 64.6227 31.4379 176.8401 65 Y 4.3259 8.0843 115.2311 58.7087 37.9457 177.1726 66 T 3.8495 7.6681 112.1872 62.8173 69.1671 175.6611 67 T 4.1827 7.7327 111.4804 61.6073 69.9020 175.9440 68 T 4.3252 7.4501 109.8138 62.0165 70.8136 174.4941 69 M 4.0868 7.3972 121.7604 55.0309 32.3721 176.0611 70 Q 4.2176 8.4110 122.3983 55.2199 30.0194 174.3689 71 G 4.0587 8.8170 108.0321 43.6487 0.0000 174.3081 72 S 4.3490 8.4626 118.5980 59.7556 63.1749 174.6214 73 Q 4.3809 7.7836 118.0681 56.2768 28.5953 174.5526 74 Y 4.5662 7.5637 116.7789 56.7177 40.5577 175.1745 75 A 4.3127 8.2975 121.7754 52.5526 18.7524 179.0060 76 S 4.5933 8.2560 111.4474 59.8963 63.6733 173.9644 77 T 4.6671 7.4576 110.5056 58.7566 72.0094 173.1678 78 P 4.1237 0.0000 0.0000 65.9092 31.4406 178.4850 79 E 4.0605 8.2700 116.9327 59.4693 29.4474 179.5893 80 G 3.6902 8.2475 107.3869 47.2393 0.0000 175.9603 81 K 4.0343 7.9537 120.1634 59.0098 32.0926 179.2363 82 A 3.9920 8.0234 121.2482 54.9695 18.2359 179.8154 83 K 3.8505 8.1366 117.0730 59.5764 32.1050 179.0563 84 C 4.0572 8.2212 118.6579 62.5613 31.5014 175.4984 85 A 3.9378 7.8615 122.0531 54.9704 17.9278 179.4115 86 R 3.5880 7.9626 117.1515 59.6395 30.1355 178.3012 87 D 4.2651 8.0638 118.5774 57.6558 40.9472 179.0135 88 I 4.0639 8.0904 120.2654 64.4866 37.0035 178.7823 89 G 3.6894 8.3705 106.6451 47.8250 0.0000 175.4447 90 Y 4.3546 8.0857 119.0139 61.2519 37.9311 178.1135 91 Y 3.9536 8.3138 117.6058 61.0861 38.0502 178.5360 92 L 4.0443 8.2414 121.1626 58.1428 42.1825 178.9570 93 R 3.6033 8.2295 118.7670 59.6160 29.9972 178.3519 94 M 3.9865 8.0913 118.5947 58.4454 32.0087 178.7686 95 I 3.7491 7.8903 120.1374 64.6470 37.3188 178.6279 96 T 3.9353 7.8236 110.5913 64.9341 68.4841 176.3325 97 Y 4.3990 7.7787 119.6475 61.1498 37.8984 178.1496 98 C 4.1995 8.0590 119.0295 62.1354 27.8352 176.2045 99 L 3.9814 7.3392 119.4669 57.6999 41.2685 179.4302 100 V 3.7363 7.7156 117.0968 65.8575 31.6192 177.5670 101 A 4.2452 8.2458 119.1839 52.4221 18.4369 178.0678 102 G 3.8290 9.1008 105.0105 45.7888 0.0000 173.1845 103 G 4.0840 7.2127 107.2903 43.6394 0.0000 174.6815 104 T 4.0858 8.3623 108.7485 62.8415 68.8760 176.7403 105 G 3.8601 7.6672 109.2609 47.7345 0.0000 173.6112 106 P 3.7726 0.0000 0.0000 65.2209 31.4125 178.4811 107 M 4.0819 7.9383 116.2341 58.5778 32.1119 177.7459 108 D 4.3990 8.4235 119.5375 57.2372 40.7832 178.4198 109 E 3.8047 7.8239 118.4102 59.3433 29.8813 177.8141 110 Y 4.6050 7.4841 114.2144 58.9307 38.2320 175.7261 111 L 4.4892 7.6017 118.3275 56.6261 44.4825 177.4922 112 I 3.7547 8.2681 119.4587 63.8460 37.2333 176.1521 113 A 4.1617 7.5314 123.7237 53.9519 18.2980 177.7194 114 G 4.2583 8.9954 111.9863 45.4346 0.0000 174.5559 115 L 3.9147 7.9661 121.7866 58.5279 42.0282 179.0187 116 S 4.1420 8.0369 114.2901 61.7313 62.9049 176.4439 117 E 3.9990 8.1303 120.6956 59.3402 29.2541 179.4008 118 I 3.9296 7.9514 119.7778 64.6677 37.2345 178.2587 119 N 4.4524 8.2735 117.2783 56.4369 38.4033 177.7852 120 S 4.0877 8.2024 116.5517 61.8812 62.7233 176.9050 121 T 3.7646 7.8243 117.2052 66.3832 68.1860 175.3580 122 F 4.5140 8.1882 116.8701 56.4775 39.3292 175.1356 123 D 4.2963 7.3957 117.6320 55.3107 39.7160 173.4447 124 L 4.4748 7.9549 117.5114 52.9779 43.9516 176.9905 125 S 4.0377 5.8100 119.2604 56.7440 63.8250 173.6263 126 P 4.4252 0.0000 0.0000 65.5237 31.2095 178.7916 127 S 4.2193 7.9364 112.7755 61.2833 62.6288 176.6846 128 W 4.1619 7.4998 122.3019 60.0219 28.7847 178.1539 129 Y 4.0107 7.8577 116.0551 60.8640 37.2173 178.3325 130 I 3.7485 7.9521 121.0741 64.2748 37.1855 178.0072 131 E 3.9779 8.3287 119.6115 59.2488 29.4902 178.7310 132 A 3.9843 7.8979 120.3283 55.2200 18.4412 179.6563 133 L 4.0390 8.1384 117.5423 57.8631 41.6873 179.9009 134 K 4.0429 8.4609 118.8253 59.4185 31.4023 178.8271 135 Y 3.9207 8.0195 119.9668 60.7143 38.6329 178.0294 136 I 3.8119 7.9497 120.8231 64.2480 36.9866 178.3376 137 K 3.9589 8.0232 119.1916 59.5604 32.1573 178.5551 138 A 4.0755 7.8664 119.6424 53.9535 18.2374 177.7906 139 N 4.7666 7.2691 112.5512 53.1501 39.0665 175.3538 140 H 4.2349 7.7529 116.3571 57.9529 28.7824 177.1481 *143 G 4.0367 7.8176 107.1140 44.8878 0.0000 172.7218 144 L 4.4038 7.9844 119.3912 54.2176 42.6812 175.5915 145 T 4.6883 7.6569 109.8460 60.2909 72.9184 174.0378 146 G 3.9545 8.4502 108.4045 46.7854 0.0000 175.5269 147 Q 4.0725 8.7448 118.2389 58.4416 29.1235 177.6488 148 A 4.2575 8.0035 121.7472 54.9203 18.3962 179.3672 149 A 3.8672 7.7814 119.4628 55.2221 18.4877 179.8859 150 V 3.3921 7.4345 116.6393 65.9606 31.0699 177.7233 *161 E 4.1533 7.9753 116.4304 56.4292 31.5972 177.6929 162 A 4.1472 8.1274 120.1746 55.5635 18.3707 179.5276 163 N 4.3916 8.6676 115.0206 56.1909 38.6032 177.5371 164 A 3.9104 7.9279 122.4358 55.4405 18.4970 179.2700 165 Y 4.3365 7.4996 113.8353 60.8097 38.0050 178.4265 166 I 3.8780 7.9995 121.0817 64.6690 37.2097 178.2511 167 D 4.4781 8.6691 120.0742 57.2478 40.5407 178.2355 168 Y 4.0925 8.0729 120.0314 60.6353 38.6015 177.9543 169 A 4.0804 8.0409 120.5168 55.2386 18.9329 179.3181 170 I 3.8433 7.8808 118.3362 64.7411 37.2127 178.5035 171 N 4.3714 8.5760 117.3756 56.0930 38.1038 177.3292 172 A 3.9696 7.6605 121.3168 54.2077 18.5060 178.6418 173 L 4.3659 7.4864 114.9536 55.2362 42.2688 176.9295 174 S 4.3956 7.6839 120.2565 58.5277 63.0104 173.8287 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 M 8.30 4.32 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 2 K 8.42 3.94 0.00 1.87 1.65 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 3 T 9.28 5.01 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 4 P 0.00 4.25 0.00 2.07 2.08 0.00 3.55 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 2.18 0.00 5 I 7.55 3.72 1.83 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 1.49 0.69 0.88 0.00 0.00 6 T 7.89 3.93 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 1.18 0.00 0.00 7 E 8.25 3.87 0.00 2.16 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 0.00 2.28 2.30 0.00 8 A 7.74 3.95 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 9 I 7.83 3.65 1.97 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 1.44 0.82 0.88 0.00 0.00 10 A 8.30 3.95 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 11 A 7.99 3.88 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 12 A 7.79 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.51 4.20 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.96 3.95 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 1.29 0.00 0.00 15 Q 7.73 4.38 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 16 G 7.84 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 0.00 0.00 0.00 0.00 17 R 7.88 4.72 0.00 1.95 1.92 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 18 F 8.64 4.24 0.00 3.05 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 19 L 8.48 4.17 0.00 1.70 1.64 0.95 0.80 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 20 S 9.40 4.88 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 21 N 8.62 4.35 0.00 2.86 2.86 0.00 0.00 6.90 7.22 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 22 T 7.71 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 E 8.09 4.27 0.00 2.18 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 2.54 2.44 0.00 24 L 7.95 4.04 0.00 1.72 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.20 4.02 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 26 A 7.38 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.53 3.23 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 0.32 0.00 0.00 0.82 0.00 0.00 28 D 8.16 4.46 0.00 2.88 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 29 G 8.15 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.74 3.90 0.00 1.86 1.96 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 31 F 7.95 4.67 0.00 3.20 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 32 K 8.47 4.21 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 33 R 8.26 4.09 0.00 2.05 1.95 0.00 3.18 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 34 A 7.94 4.09 1.52 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 0.00 0.00 35 V 7.47 3.50 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 0.95 0.00 0.00 36 A 7.95 4.03 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 37 S 8.14 4.12 0.00 4.07 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 0.00 38 M 8.59 4.08 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 39 E 8.13 3.91 0.00 2.14 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 2.32 2.34 0.00 40 A 8.03 3.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.28 3.97 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 42 R 8.36 3.87 0.00 1.87 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 43 A 7.87 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 44 L 7.80 4.01 0.00 1.66 1.78 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.94 4.06 4.40 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 1.23 0.00 0.00 46 N 8.37 4.45 0.00 2.87 2.90 0.00 0.00 6.98 8.25 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 47 N 7.92 4.92 0.00 2.89 2.82 0.00 0.00 6.82 8.16 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 48 A 7.70 4.04 1.43 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 49 Q 8.08 3.91 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 50 S 8.04 4.14 0.00 4.13 4.14 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 51 L 7.95 4.17 0.00 1.98 1.87 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.04 3.71 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.89 0.00 0.00 53 D 8.39 4.40 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 54 G 8.57 3.40 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 0.00 55 A 7.88 3.24 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 56 A 7.72 3.41 1.14 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 0.00 0.00 57 Q 7.58 3.91 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 58 A 7.42 3.88 1.18 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 0.00 0.00 0.00 59 V 7.22 3.50 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 1.00 0.00 0.00 0.84 0.00 0.00 60 Y 7.26 4.24 0.00 3.07 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 61 Q 7.92 4.01 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 62 K 7.76 3.96 0.00 1.54 1.46 0.00 1.30 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.75 0.21 7.81 63 F 7.97 5.01 0.00 2.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.20 2.10 0.00 3.99 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 65 Y 8.08 4.33 0.00 3.09 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 66 T 7.67 3.85 3.69 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 0.13 0.00 0.00 67 T 7.73 4.18 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 0.81 0.00 0.00 68 T 7.45 4.33 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 1.15 0.00 0.00 69 M 7.40 4.09 0.00 1.45 1.30 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.41 0.00 70 Q 8.41 4.22 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 71 G 8.82 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 72 S 8.46 4.35 0.00 4.03 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 73 Q 7.78 4.38 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 1.41 2.23 0.00 74 Y 7.56 4.57 0.00 3.03 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 75 A 8.30 4.31 1.13 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 0.00 0.00 76 S 8.26 4.59 0.00 3.95 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 77 T 7.46 4.67 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 1.21 0.00 0.00 78 P 0.00 4.12 0.00 2.16 2.12 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 79 E 8.27 4.06 0.00 2.05 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 2.40 2.43 0.00 80 G 8.25 3.69 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 0.00 0.00 0.00 81 K 7.95 4.03 0.00 1.92 1.84 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.60 7.81 82 A 8.02 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 83 K 8.14 3.85 0.00 1.94 1.86 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.58 7.81 84 C 8.22 4.06 0.00 3.13 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 A 7.86 3.94 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 86 R 7.96 3.59 0.00 1.84 1.93 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 87 D 8.06 4.27 0.00 3.21 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 88 I 8.09 4.06 2.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 0.93 0.00 0.00 89 G 8.37 3.69 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 0.00 0.00 0.00 90 Y 8.09 4.35 0.00 3.20 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 91 Y 8.31 3.95 0.00 3.36 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 92 L 8.24 4.04 0.00 1.85 1.72 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.23 3.60 0.00 1.95 1.90 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.13 0.00 94 M 8.09 3.99 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.88 0.00 95 I 7.89 3.75 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.36 1.02 0.00 0.00 96 T 7.82 3.94 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 97 Y 7.78 4.40 0.00 3.17 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 98 C 8.06 4.20 0.00 2.44 1.43 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 99 L 7.34 3.98 0.00 1.82 1.94 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.72 3.74 2.29 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 0.83 0.00 0.00 1.02 0.00 0.00 101 A 8.25 4.25 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 0.00 102 G 9.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.60 4.49 0.00 1.44 1.68 0.10 0.78 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 0.00 112 I 8.27 3.75 1.89 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 1.22 0.74 0.88 0.00 0.00 113 A 7.53 4.16 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 0.00 114 G 9.00 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 0.00 115 L 7.97 3.91 0.00 2.01 1.74 0.88 0.83 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 0.00 116 S 8.04 4.14 0.00 3.90 3.89 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 0.00 117 E 8.13 4.00 0.00 2.24 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 2.40 2.46 0.00 118 I 7.95 3.93 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.13 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 128 W 7.50 4.16 0.00 2.96 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.86 4.01 0.00 3.03 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 0.00 130 I 7.95 3.75 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.97 0.00 0.00 131 E 8.33 3.98 0.00 2.40 2.31 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 2.32 2.40 0.00 132 A 7.90 3.98 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 0.00 133 L 8.14 4.04 0.00 1.88 1.78 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.46 4.04 0.00 2.01 1.89 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.70 7.81 135 Y 8.02 3.92 0.00 3.03 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 0.00 136 I 7.95 3.81 2.10 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 1.57 1.07 1.01 0.00 0.00 137 K 8.02 3.96 0.00 1.80 2.00 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.72 7.81 138 A 7.87 4.08 1.21 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 0.00 0.00 139 N 7.27 4.77 0.00 2.23 2.53 0.00 0.00 7.03 8.21 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 0.00 140 H 7.75 4.23 0.00 3.30 3.68 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 G 7.82 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 0.00 0.00 0.00 144 L 7.98 4.40 0.00 1.55 1.58 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.66 4.69 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 0.00 146 G 8.45 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 0.00 147 Q 8.74 4.07 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 148 A 8.00 4.26 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 0.00 149 A 7.78 3.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.43 3.39 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 1.00 0.00 0.00 1.00 0.00 0.00 *161 E 7.98 4.15 0.00 2.27 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 2.43 2.39 0.00 162 A 8.13 4.15 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 0.00 163 N 8.67 4.39 0.00 2.78 2.91 0.00 0.00 6.97 7.45 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 0.00 164 A 7.93 3.91 1.04 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 0.00 0.00 165 Y 7.50 4.34 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 0.00 166 I 8.00 3.88 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 1.04 0.00 0.00 167 D 8.67 4.48 0.00 2.77 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 0.00 168 Y 8.07 4.09 0.00 3.28 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 0.00 169 A 8.04 4.08 1.62 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 0.00 0.00 170 I 7.88 3.84 2.06 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 1.56 1.11 0.94 0.00 0.00 171 N 8.58 4.37 0.00 2.76 2.80 0.00 0.00 6.94 8.24 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 0.00 172 A 7.66 3.97 1.19 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 0.00 0.00 0.00 173 L 7.49 4.37 0.00 1.83 1.75 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.68 4.40 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.