NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3499 8.3149 120.1412 55.5132 33.7244 175.5310 2 P 4.2773 0.0000 0.0000 61.6458 32.2338 175.9823 3 A 4.2186 8.4637 123.3831 54.8617 19.0572 179.7408 4 S 4.2976 8.2119 111.9769 62.1060 62.6635 176.3398 5 M 3.9671 7.6419 120.8329 57.3115 31.5713 176.4232 6 Y 4.8409 8.3979 114.1405 56.9796 40.4258 177.4201 7 R 4.0887 8.0628 116.0386 58.0173 29.6478 176.4307 8 D 4.9742 7.3022 117.2970 53.4889 42.1801 177.0522 9 I 4.2798 7.9592 123.9680 60.0023 35.5859 175.2955 10 D 5.0083 7.9353 119.7178 52.3352 40.1142 176.8811 11 K 4.6452 7.6594 116.6679 54.7209 36.1840 174.1610 12 P 4.3979 0.0000 0.0000 62.3346 31.8548 176.2581 13 A 4.3363 8.4121 123.3153 52.5656 18.8961 177.5640 14 Y 4.9612 10.1412 125.3891 55.4193 38.7633 175.0665 15 T 4.3407 7.9498 112.2459 60.9229 71.3226 174.5170 16 R 4.2141 7.8180 120.2198 55.9144 29.1149 177.1345 17 R 4.0612 8.2531 122.1149 57.6870 30.3870 177.9513 18 E 3.9509 7.8036 115.6683 57.7159 30.0714 177.2758 19 Y 4.9084 7.5653 115.5296 57.4541 39.0433 175.1606 20 I 4.6906 7.4886 120.4014 59.7538 40.7668 174.5090 21 T 4.5949 8.2946 114.0483 60.8883 71.6688 173.6965 22 G 3.8452 8.8419 108.5501 46.0622 0.0000 173.5593 23 I 3.8307 7.6121 120.4928 60.0203 37.2898 174.5218 24 P 4.3809 0.0000 0.0000 62.2112 31.8576 176.6785 25 G 3.7595 8.2716 109.8613 45.2123 0.0000 173.5243 26 S 4.1768 8.3094 115.7395 57.9803 62.9792 174.2674 27 K 4.3220 8.7710 124.7011 56.5497 32.3210 176.8555 28 I 4.0929 7.5059 120.9388 60.9430 37.0030 175.9183 29 A 4.2057 9.9690 131.1884 54.9661 18.5032 177.4737 30 Q 4.7204 7.6245 111.1045 55.3371 32.8050 173.8222 31 H 4.7338 8.8904 115.8385 55.5897 31.5422 173.9223 32 K 4.9731 8.1640 116.8346 55.0259 34.7819 175.3192 33 M 4.5798 9.1766 125.0368 53.6559 35.6297 176.6541 34 G 3.2160 8.6660 106.5505 46.6302 0.0000 176.3938 35 R 4.2822 8.2300 122.0208 54.5070 29.0397 176.8044 36 K 4.2948 8.2746 120.3958 57.7921 33.0964 178.1367 37 Q 4.2477 7.8899 117.7145 56.3279 29.2608 175.1325 38 K 4.5993 7.4761 118.9032 54.5269 34.6455 174.8715 39 D 4.7587 8.2061 122.0782 52.8461 42.1189 178.0353 40 A 3.7218 8.1299 124.0165 54.4541 18.9258 178.9723 41 D 4.5119 8.0146 116.0571 57.5543 41.0686 177.8823 42 D 4.5891 7.9369 115.0103 54.9288 40.3422 175.4032 43 Y 4.7949 7.6570 116.4790 55.6257 40.8431 174.2221 44 P 4.5537 0.0000 0.0000 64.5137 32.4902 176.7466 45 V 5.3337 8.0545 118.9004 60.2986 34.5034 174.6927 46 Q 4.8287 8.6145 127.2317 54.6372 32.2217 173.3078 47 I 5.0382 8.6474 127.3708 59.6449 40.7278 175.0319 48 S 5.2718 9.2791 121.9183 56.6583 67.1076 172.7775 49 L 4.7074 8.4757 124.4903 53.7193 43.6730 175.0180 50 I 4.8334 8.8083 128.3693 59.5019 39.0889 175.4147 51 V 4.0264 8.4739 127.9553 63.0823 31.8863 176.4429 52 E 4.2285 8.9635 127.2654 57.5680 30.0431 176.5357 53 E 4.7503 7.9090 117.4505 54.2519 33.2894 175.2376 54 T 4.4625 8.3403 118.2614 64.0333 69.4652 174.2456 55 V 4.5432 8.8745 118.3128 61.0903 36.9045 171.9248 56 Q 5.0905 9.0650 120.5586 54.3008 31.6529 175.2716 57 L 4.9631 8.9140 123.5279 52.6603 44.5906 176.6631 58 R 4.4372 8.6476 123.7512 56.0722 30.9555 177.6442 59 H 4.2578 9.2086 118.1735 58.9514 28.0102 178.2392 60 G 3.4931 7.7326 107.9430 47.5000 0.0000 175.7492 61 S 4.2252 8.3244 117.7933 61.1458 62.9244 176.4936 62 L 4.0013 7.8474 121.2555 57.9395 41.3579 179.1088 63 E 3.9155 8.2024 118.8805 59.0347 29.4766 178.7766 64 A 3.9755 7.8099 121.2710 55.0417 18.5161 179.8155 65 S 4.0782 8.1865 114.2222 61.1002 63.2068 176.5767 66 R 3.6005 8.3370 123.0844 58.6709 29.8580 178.0321 67 L 3.9084 8.0887 120.3620 58.3340 42.3069 179.1522 68 S 4.3530 8.3280 113.3082 60.4330 62.9230 175.9135 69 A 4.1714 7.6231 125.1907 54.9270 18.6512 178.8543 70 N 4.2069 8.5275 115.5942 56.7485 39.1392 176.8033 71 R 3.8468 8.4344 120.5451 59.8604 30.1656 178.0121 72 H 4.1059 8.0634 117.3176 59.2212 29.8396 177.2631 73 L 3.6965 7.6382 120.2627 57.6382 41.3221 179.5104 74 I 3.9523 7.8951 120.0462 64.1540 36.9357 178.0627 75 K 4.0811 7.7997 118.1630 58.1308 32.1011 177.5186 76 E 4.3934 7.6311 116.2963 56.5036 31.2609 176.8718 77 L 4.6270 8.2648 116.1455 53.0080 43.8579 177.5088 78 G 4.0493 7.6636 105.6963 45.3809 0.0000 174.4160 79 E 4.2271 8.4958 117.5129 57.7196 29.1937 177.9393 80 E 4.6109 7.9792 114.8777 56.0945 32.5968 175.1485 81 G 4.1964 8.1015 109.3298 45.7070 0.0000 174.1049 82 D 4.7054 8.4345 120.9407 52.0974 39.7495 174.2321 83 Y 5.0993 7.2570 121.1133 55.9424 42.0880 173.9731 84 K 4.8158 8.6307 117.5067 56.0208 36.2812 174.5191 85 M 5.4613 8.9990 123.0858 54.1658 36.0855 173.9671 86 T 5.1736 9.5361 121.2152 61.8048 72.6271 172.9048 87 L 4.6085 8.8768 129.1998 53.5275 41.9211 176.1764 88 R 4.3252 8.4240 122.5726 57.0271 30.1466 176.7961 89 K 4.6911 7.6235 119.1101 54.7967 34.1524 175.4568 90 F 4.7407 8.4639 119.9915 54.9310 41.9294 174.7430 91 P 4.7231 0.0000 0.0000 63.0288 29.2458 175.3186 92 H 4.4279 8.2427 123.8514 58.6833 29.6851 175.6009 93 Q 4.2030 8.0483 121.8445 55.7788 29.6375 175.5710 94 V 4.3419 8.6957 128.1219 62.7029 32.4912 175.2103 95 L 4.9327 8.8882 127.3779 53.2113 44.7247 175.4350 96 R 5.1460 8.4191 119.0316 54.7779 34.5172 174.3586 97 E 4.5550 8.7135 119.5576 55.5438 33.4581 174.0851 98 N 5.1107 8.8710 126.6139 52.1215 37.6159 173.4972 99 K 4.1306 7.8327 122.2103 54.3123 31.8731 174.5045 *111 D 4.4003 8.0501 123.0275 55.0251 42.6202 175.3429 112 G 4.0246 8.2744 115.8904 46.0304 0.0000 173.0919 113 M 4.3155 8.9331 123.7171 54.8010 32.4092 175.8244 114 R 3.8300 7.8831 120.3221 57.4244 31.1368 176.2384 115 A 3.7230 8.5385 126.5234 53.4289 15.5550 176.1473 116 A 4.4284 7.6724 120.5416 51.4071 20.0442 177.5720 117 F 3.7898 8.4846 117.8871 58.1741 39.3391 175.4065 118 G 3.7180 7.9013 116.8450 45.1698 0.0000 172.3705 119 K 4.5035 8.4088 119.3574 55.7748 34.7075 176.2399 120 I 4.4480 8.2748 122.4439 61.7765 37.4894 176.3160 121 V 4.4052 9.2188 117.0683 60.0830 34.3736 175.5101 122 G 4.0495 7.0873 106.6465 46.8174 0.0000 171.4173 123 T 5.3677 7.6169 107.7162 60.2788 72.7007 172.7201 124 A 5.1256 9.1663 123.4009 50.7487 23.5728 174.6046 125 A 4.9565 8.8785 121.4217 50.2816 21.5396 176.3969 126 R 4.7481 8.5610 121.3471 55.5065 31.6497 176.2655 127 V 4.5330 9.0948 123.2380 61.1973 34.8926 174.9327 128 Q 4.4276 9.8741 127.4449 54.9352 29.5195 175.5802 129 A 4.2760 8.0950 124.6633 54.0327 18.7768 178.4478 130 G 3.9753 9.8829 111.7198 44.9888 0.0000 173.7242 131 E 4.3538 7.8171 119.0371 55.9594 31.3415 175.7199 132 Q 4.6790 8.4052 120.9842 55.4326 29.5292 175.4882 133 L 4.0191 8.9697 127.4008 57.3409 43.0749 176.3084 134 F 5.4439 7.7877 116.1471 56.1291 43.0305 174.3926 135 T 5.0865 8.9165 116.7806 62.4770 73.0017 172.9893 136 A 5.2097 9.6292 128.4506 50.2797 23.1989 174.4827 137 Y 5.0945 8.9075 116.6523 56.6159 42.1337 174.8001 138 C 5.3497 9.0685 118.5977 57.4407 33.7323 172.3867 139 N 5.2079 8.7987 114.7114 51.8299 40.0611 176.6941 140 V 3.5333 8.7498 121.0371 66.3772 31.5700 177.3481 141 E 4.0605 8.0733 118.9496 59.7444 29.7802 178.0107 142 D 4.7893 8.2230 115.4729 54.8026 40.8165 178.4564 143 A 3.9488 7.8526 126.0878 55.3445 18.2451 180.1546 144 E 4.1518 7.9517 113.5336 58.2784 30.2409 178.3794 145 H 4.4826 7.9522 117.1324 58.1653 29.0512 177.8552 146 V 3.3145 7.4416 120.5876 64.4268 31.2362 178.5218 147 K 3.8278 7.5939 119.1875 59.0283 31.3077 178.7495 148 E 3.9047 7.6984 117.8794 58.5125 29.5187 178.5627 149 A 3.8987 7.4412 120.9273 54.9736 18.3221 179.5863 150 F 4.4009 7.8926 115.9403 60.4974 38.7287 177.9279 151 R 2.8852 7.3484 117.9762 59.0738 29.8208 178.4913 152 R 3.8633 7.4479 116.7212 58.6453 29.9923 178.8060 153 A 3.9313 7.7078 120.9054 55.2150 18.2921 179.0147 154 Y 4.3249 7.7635 113.7645 59.0147 38.1661 176.9731 155 N 4.8385 7.5891 117.3470 54.1459 38.9472 175.4446 156 K 4.6438 7.9351 119.3635 55.5940 32.8902 175.6791 157 I 4.6833 7.4409 111.2750 58.9563 40.0718 174.9892 158 T 3.8141 8.5456 119.2550 66.9526 68.5902 173.0151 159 P 4.5215 0.0000 0.0000 62.4168 32.6522 175.7837 160 S 4.4658 8.1798 114.2472 58.4865 64.2912 173.1766 161 C 5.2708 7.9535 118.3009 58.2410 32.6013 173.2955 162 R 4.5514 9.0686 119.0611 54.7651 32.7833 175.8239 163 I 4.8019 8.4208 124.1988 59.9996 37.3443 173.2833 164 D 4.7286 8.8313 126.8407 52.9274 42.9744 174.6639 165 S 4.8918 8.6179 120.9785 56.3267 63.3346 172.6579 166 S 5.0360 9.3060 130.3361 57.2464 63.3983 176.2678 167 P 4.2491 0.0000 0.0000 63.5668 31.7663 173.8490 168 A 5.5531 8.2178 135.0000 52.8844 19.4906 175.3989 169 G 4.0917 8.1708 110.2504 45.9206 0.0000 172.5982 170 N 4.6698 7.9801 116.3348 51.6427 37.6637 175.1881 171 A 4.2901 7.5813 124.4629 52.3145 19.1990 177.4352 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 K 8.31 4.35 0.00 1.87 1.98 0.00 2.12 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 2 P 0.00 4.28 0.00 2.24 1.96 0.00 3.60 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 2.10 2.14 0.00 3 A 8.46 4.22 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 4 S 8.21 4.30 0.00 3.99 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 5 M 7.64 3.97 0.00 1.06 1.89 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 6 Y 8.40 4.84 0.00 3.00 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 7 R 8.06 4.09 0.00 2.01 2.24 0.00 3.13 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 8 D 7.30 4.97 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 9 I 7.96 4.28 1.89 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 1.50 0.54 0.93 0.00 0.00 10 D 7.94 5.01 0.00 2.71 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 11 K 7.66 4.65 0.00 1.72 1.68 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.45 7.81 12 P 0.00 4.40 0.00 2.09 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 13 A 8.41 4.34 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 14 Y 10.14 4.96 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.95 4.34 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 1.28 0.00 0.00 16 R 7.82 4.21 0.00 2.07 2.31 0.00 3.59 0.00 0.00 3.35 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 17 R 8.25 4.06 0.00 1.72 1.91 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 18 E 7.80 3.95 0.00 1.47 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 1.47 1.47 0.00 19 Y 7.57 4.91 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.49 4.69 1.73 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 1.30 0.61 0.83 0.00 0.00 21 T 8.29 4.59 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 1.21 0.00 0.00 22 G 8.84 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.61 3.83 1.84 0.00 0.00 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 1.38 0.55 0.87 0.00 0.00 24 P 0.00 4.38 0.00 2.00 1.98 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 25 G 8.27 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 0.00 0.00 0.00 26 S 8.31 4.18 0.00 3.83 3.79 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 27 K 8.77 4.32 0.00 1.79 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.54 7.81 28 I 7.51 4.09 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.71 0.00 0.00 29 A 9.97 4.21 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 30 Q 7.62 4.72 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 31 H 8.89 4.73 0.00 3.15 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.16 4.97 0.00 1.64 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 33 M 9.18 4.58 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 34 G 8.67 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 0.00 0.00 0.00 35 R 8.23 4.28 0.00 1.87 1.88 0.00 3.15 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 36 K 8.27 4.29 0.00 1.87 1.93 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.89 4.25 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 38 K 7.48 4.60 0.00 1.67 1.91 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.50 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.47 1.44 7.81 39 D 8.21 4.76 0.00 2.87 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 40 A 8.13 3.72 0.05 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 0.00 0.00 41 D 8.01 4.51 0.00 2.72 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 42 D 7.94 4.59 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.66 4.79 0.00 3.17 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 44 P 0.00 4.55 0.00 2.00 2.15 0.00 3.99 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 45 V 8.05 5.33 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 1.08 0.00 0.00 0.98 0.00 0.00 46 Q 8.61 4.83 0.00 2.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 47 I 8.65 5.04 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 1.04 0.00 0.00 48 S 9.28 5.27 0.00 3.74 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 49 L 8.48 4.71 0.00 0.68 1.20 1.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.81 4.83 1.86 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 1.10 0.45 0.99 0.00 0.00 51 V 8.47 4.03 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 0.94 0.00 0.00 0.91 0.00 0.00 52 E 8.96 4.23 0.00 1.98 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 2.28 2.31 0.00 53 E 7.91 4.75 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 54 T 8.34 4.46 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 1.26 0.00 0.00 55 V 8.87 4.54 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 0.63 0.00 0.00 0.98 0.00 0.00 56 Q 9.07 5.09 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 57 L 8.91 4.96 0.00 1.48 1.54 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.65 4.44 0.00 1.85 1.80 0.00 2.90 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 59 H 9.21 4.26 0.00 3.32 3.54 0.00 5.27 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.73 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 61 S 8.32 4.23 0.00 4.00 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 62 L 7.85 4.00 0.00 1.77 1.65 0.79 0.87 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 63 E 8.20 3.92 0.00 2.21 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 2.44 2.37 0.00 64 A 7.81 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 65 S 8.19 4.08 0.00 4.21 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 0.00 66 R 8.34 3.60 0.00 2.35 2.08 0.00 3.28 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 1.74 2.04 0.00 67 L 8.09 3.91 0.00 2.12 1.83 0.98 0.80 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 68 S 8.33 4.35 0.00 4.02 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 69 A 7.62 4.17 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.53 4.21 0.00 2.83 2.84 0.00 0.00 6.95 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 71 R 8.43 3.85 0.00 2.06 1.89 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 72 H 8.06 4.11 0.00 3.23 3.34 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 73 L 7.64 3.70 0.00 1.57 0.67 0.52 0.42 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 74 I 7.90 3.95 2.03 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 1.53 1.08 0.96 0.00 0.00 75 K 7.80 4.08 0.00 1.74 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 76 E 7.63 4.39 0.00 1.64 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 1.95 2.04 0.00 77 L 8.26 4.63 0.00 1.73 1.77 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.66 4.05 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 0.00 0.00 0.00 79 E 8.50 4.23 0.00 1.99 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 0.00 2.33 2.35 0.00 80 E 7.98 4.61 0.00 1.91 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 0.00 2.21 2.31 0.00 81 G 8.10 4.20 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 0.00 0.00 0.00 82 D 8.43 4.71 0.00 2.69 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 83 Y 7.26 5.10 0.00 3.19 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 84 K 8.63 4.82 0.00 1.84 1.78 0.00 1.25 0.00 0.00 1.33 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.79 1.38 7.81 85 M 9.00 5.46 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.72 0.00 86 T 9.54 5.17 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 1.40 0.00 0.00 87 L 8.88 4.61 0.00 1.59 1.42 0.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.42 4.33 0.00 1.95 2.08 0.00 3.11 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 89 K 7.62 4.69 0.00 1.58 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.29 7.81 90 F 8.46 4.74 0.00 2.73 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 91 P 0.00 4.72 0.00 2.16 2.09 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 92 H 8.24 4.43 0.00 3.21 3.38 0.00 5.70 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 93 Q 8.05 4.20 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 94 V 8.70 4.34 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 0.87 0.00 0.00 0.83 0.00 0.00 95 L 8.89 4.93 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 115 A 8.54 3.72 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 0.00 116 A 7.67 4.43 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 0.00 117 F 8.48 3.79 0.00 2.97 3.08 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 0.00 118 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 0.00 119 K 8.41 4.50 0.00 1.90 1.98 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.44 7.81 120 I 8.27 4.45 1.92 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 1.53 0.68 0.99 0.00 0.00 121 V 9.22 4.41 2.09 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 0.76 0.00 0.00 0.87 0.00 0.00 122 G 7.09 4.05 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 0.00 0.00 0.00 123 T 7.62 5.37 4.39 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 1.15 0.00 0.00 124 A 9.17 5.13 1.22 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 0.00 125 A 8.88 4.96 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 0.00 126 R 8.56 4.75 0.00 1.74 1.89 0.00 3.20 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 127 V 9.09 4.53 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 0.89 0.00 0.00 128 Q 9.87 4.43 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 129 A 8.10 4.28 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 0.00 130 G 9.88 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.82 4.35 0.00 2.04 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 0.00 2.31 2.44 0.00 132 Q 8.41 4.68 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 133 L 8.97 4.02 0.00 1.63 1.50 0.64 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.79 5.44 0.00 2.49 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 0.00 135 T 8.92 5.09 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 0.78 0.00 0.00 136 A 9.63 5.21 1.12 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 0.00 0.00 137 Y 8.91 5.09 0.00 2.29 2.60 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 0.00 138 C 9.07 5.35 0.00 3.03 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 0.00 139 N 8.80 5.21 0.00 2.75 2.81 0.00 0.00 6.44 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 0.00 140 V 8.75 3.53 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 0.84 0.00 0.00 1.06 0.00 0.00 141 E 8.07 4.06 0.00 2.11 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 2.41 2.36 0.00 142 D 8.22 4.79 0.00 2.70 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 0.00 143 A 7.85 3.95 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 0.00 144 E 7.95 4.15 0.00 1.86 1.90 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 2.33 2.21 0.00 145 H 7.95 4.48 0.00 3.27 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.44 3.31 1.78 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 0.68 0.00 0.00 0.17 0.00 0.00 147 K 7.59 3.83 0.00 1.68 1.85 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 148 E 7.70 3.90 0.00 2.14 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 2.17 2.05 0.00 149 A 7.44 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 7.89 4.40 0.00 3.16 3.03 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 0.00 151 R 7.35 2.89 0.00 1.76 1.92 0.00 3.22 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.65 0.00 152 R 7.45 3.86 0.00 1.94 1.82 0.00 3.04 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 153 A 7.71 3.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.76 4.32 0.00 2.97 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 0.00 155 N 7.59 4.84 0.00 2.79 2.89 0.00 0.00 6.76 7.37 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 0.00 156 K 7.94 4.64 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.31 7.81 157 I 7.44 4.68 1.91 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 1.68 0.74 0.98 0.00 0.00 158 T 8.55 3.81 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 159 P 0.00 4.52 0.00 2.15 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 160 S 8.18 4.47 0.00 3.77 3.73 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 0.00 161 C 7.95 5.27 0.00 2.66 2.85 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 0.00 0.00 0.00 0.00 162 R 9.07 4.55 0.00 1.67 1.79 0.00 3.08 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 163 I 8.42 4.80 1.99 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 1.10 0.00 0.00 164 D 8.83 4.73 0.00 2.77 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 0.00 165 S 8.62 4.89 0.00 3.93 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 0.00 166 S 9.31 5.04 0.00 3.97 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 0.00 167 P 0.00 4.25 0.00 2.16 2.07 0.00 3.88 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 2.21 2.17 0.00 168 A 8.22 5.55 1.31 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 0.00 0.00 169 G 8.17 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 7.98 4.67 0.00 2.73 2.81 0.00 0.00 7.00 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 0.00 171 A 7.58 4.29 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 * Residues marked with a * may have inaccurate shift predictions.