NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9814 8.2133 109.7404 44.8200 0.0000 173.4399 -2 P 4.1177 0.0000 0.0000 65.0107 31.7731 175.9057 -1 L 4.2338 8.4840 120.0258 57.4407 44.1782 177.7486 0 G 3.7404 7.2361 105.5672 47.4143 0.0000 174.0215 1 S 4.7858 8.9555 120.0905 57.6554 63.9617 172.6472 2 W 4.8972 8.2144 120.2460 56.9581 29.7557 176.4652 3 V 4.4099 9.2748 123.0394 61.3848 33.7143 174.1542 4 I 4.7598 8.1714 128.0149 58.9721 40.7481 173.8114 5 P 4.6225 0.0000 0.0000 60.5459 32.7673 173.9219 6 P 4.2591 0.0000 0.0000 63.0799 31.8266 175.5617 7 I 4.6224 8.2083 121.3316 59.5865 39.7207 174.5630 8 S 5.1024 8.6527 120.9625 56.6823 66.4113 172.9703 9 C 4.8653 8.9608 121.9757 56.9279 34.4726 171.5497 10 P 5.0169 0.0000 0.0000 62.0449 30.3202 176.0868 11 E 4.1919 8.9311 121.0872 56.3276 31.4062 176.1481 12 N 4.4509 8.7973 115.1012 54.2028 36.7423 174.9991 13 E 4.1752 7.5196 115.8269 56.4190 30.1465 177.3916 14 K 4.2536 8.3630 121.3954 55.7587 33.0206 178.0776 15 G 3.3457 8.2531 111.2456 44.1105 0.0000 171.0851 16 P 4.3412 0.0000 0.0000 62.5596 32.0373 175.6105 17 F 4.7378 8.3647 119.4414 55.5103 40.7428 173.8224 18 P 4.9012 0.0000 0.0000 62.6672 32.6376 175.0911 19 K 4.4551 8.8296 123.1419 54.7884 34.3246 175.0352 20 N 4.7356 8.5362 124.6614 53.6508 38.7895 174.2339 21 L 4.5352 9.3229 124.6233 56.1068 42.2156 177.1008 22 V 4.6178 7.5726 109.2668 60.3456 37.0066 173.1028 23 Q 4.2902 8.1753 123.4860 54.1265 29.3500 174.9326 24 I 3.8417 8.0400 128.5514 61.2854 38.3695 175.6832 25 K 4.6367 8.7034 124.7969 54.6789 37.0303 175.1187 26 S 4.9883 9.0104 117.7372 56.1495 65.3203 174.2675 27 N 4.7130 9.1982 123.3697 54.1884 38.2470 177.1449 28 K 4.0472 8.0074 122.1460 58.6258 31.8428 178.4703 29 D 4.9585 7.6937 120.3131 55.3652 39.1529 178.2914 30 K 4.1048 7.6611 118.5878 58.3470 32.1722 177.9278 31 E 4.4897 8.1525 117.4789 54.8224 30.6223 175.8629 32 G 3.9180 7.0762 107.9187 44.6860 0.0000 171.0509 33 K 4.1283 7.5817 120.7138 56.2291 33.1179 175.6786 34 V 4.1455 7.7436 125.7310 60.8105 34.8548 174.2883 35 F 5.0653 8.4394 124.6417 55.9759 41.9019 173.8374 36 Y 5.5760 9.0437 122.0961 56.9091 40.2018 174.9297 37 S 5.1809 9.2053 116.4457 57.0965 67.1624 172.6815 38 I 5.4478 8.4641 113.4963 59.5320 40.4691 174.2344 39 T 4.6965 9.1803 113.6361 60.4431 73.0900 172.8779 40 G 4.2677 9.3376 107.1471 44.0187 0.0000 171.9707 41 Q 4.2937 7.7214 119.4690 57.3435 29.1462 178.1876 42 G 4.7160 9.3918 113.9111 44.7531 0.0000 172.9274 43 A 4.9369 7.7567 120.2267 51.3363 21.9290 176.4024 44 D 5.1553 8.2058 116.4972 52.4292 41.2782 176.2625 45 T 4.8206 7.7075 109.4977 59.0136 72.3868 171.5577 46 P 4.6234 0.0000 0.0000 62.5279 32.3874 174.2023 47 P 4.5278 0.0000 0.0000 62.2552 32.3834 176.2885 48 V 4.0662 8.5396 118.8979 62.4708 32.0952 176.9636 49 G 4.1063 8.9172 111.8471 46.1276 0.0000 174.6979 50 V 3.4850 7.3450 122.1143 64.7893 32.4248 175.9660 51 F 5.4342 8.2614 118.1953 55.4751 41.4413 175.2537 52 I 4.8750 8.7683 115.3736 59.1563 41.3348 173.8318 53 I 5.0985 8.3217 122.5357 59.2019 41.1817 174.2249 54 E 4.3168 9.0943 130.2292 55.5484 30.1162 176.7316 55 R 4.6056 9.1152 127.5714 59.0249 30.3346 178.2103 56 E 4.2607 8.4501 115.5587 59.0711 29.7882 177.8306 57 T 4.1426 8.1532 106.7827 61.6115 69.8081 175.7630 58 G 3.6473 8.5029 109.7772 45.4912 0.0000 172.8325 59 W 4.4235 7.7681 121.0213 56.5522 30.1584 175.0876 60 L 4.9403 9.1153 128.8688 54.4214 42.8201 175.7338 61 K 5.3837 9.6037 125.6933 54.5616 36.5661 175.1967 62 V 4.7551 8.6367 122.2169 60.4442 33.2199 176.3714 63 T 4.5063 8.5352 114.6139 62.2915 69.6299 174.1600 64 E 3.4666 7.2992 118.1775 53.7820 32.2078 172.8058 65 P 4.4182 0.0000 0.0000 62.8728 32.1884 176.0839 66 L 4.6763 8.4482 122.0211 53.5475 45.0366 175.3191 67 D 4.9155 8.3617 119.1186 52.6694 43.1912 175.3945 68 R 4.0569 8.8323 127.2905 59.6616 30.1618 177.8530 69 E 4.0949 8.2382 115.4519 58.8012 29.9353 178.1536 70 R 4.1125 7.9303 118.1219 58.1068 30.5421 176.3301 71 I 4.3655 7.6232 116.9967 59.5685 40.3461 174.9531 72 A 4.4631 8.4471 126.8528 53.5331 20.2997 176.3111 73 T 5.1414 7.4256 107.6134 60.9965 71.0072 172.6240 74 Y 5.1212 8.7615 122.6598 55.4345 42.0316 174.7540 75 T 4.6362 8.8855 120.4601 62.1801 70.4125 173.4168 76 L 5.1457 8.2558 126.3933 52.8066 45.5645 175.6917 77 F 5.1542 8.9906 118.6195 55.7679 42.8667 174.4969 78 S 5.2331 8.6635 118.0419 57.4414 65.3219 172.8508 79 H 5.7480 9.6580 118.4274 54.2956 33.2584 172.4992 80 A 4.9930 8.7349 121.9617 50.6114 22.1684 175.2939 81 V 4.9197 8.5516 115.9872 59.5209 35.6009 176.1837 82 S 5.0421 9.2855 119.8836 57.0147 64.4322 175.1462 83 S 4.6802 8.6206 113.7535 60.3404 62.9925 174.4011 84 N 4.7230 7.9408 118.2486 53.0714 38.2869 175.7959 85 G 3.9469 7.9622 105.3052 45.9358 0.0000 173.6742 86 N 4.9168 7.6080 116.4400 50.6324 40.8125 174.1397 87 A 4.4742 8.4815 124.9937 52.6834 18.8678 177.9972 88 V 4.1075 8.2990 115.6995 61.5355 32.5727 175.8722 89 E 4.6412 7.4668 117.5429 54.3212 33.4269 174.5060 90 D 4.7035 8.5495 120.6712 53.2747 41.7538 174.8996 91 P 4.7733 0.0000 0.0000 63.4895 32.1877 175.1351 92 M 4.4618 8.5497 124.1982 53.6632 34.0418 174.4068 93 E 3.7174 8.7638 127.7679 55.8628 30.7845 175.5078 94 I 4.2591 8.3524 128.1429 59.2568 40.2025 174.1036 95 L 4.8377 8.3646 129.2894 53.5654 43.4870 175.2484 96 I 4.4856 8.5223 128.0747 60.1886 39.1852 174.7437 97 T 4.8379 8.3407 123.8359 61.9429 70.6812 173.8605 98 V 4.8129 8.5773 126.9631 62.1827 32.4103 175.2321 99 T 4.8137 8.3688 118.0260 59.3022 72.1200 173.1035 100 D 4.3555 8.6370 123.2277 54.1765 40.2710 177.3233 *101 Q 4.1274 8.4456 117.1351 55.4328 28.8701 176.0212 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 -3 G 8.21 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 -2 P 0.00 4.12 0.00 2.19 2.23 0.00 3.73 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 2.08 2.18 0.00 -1 L 8.48 4.23 0.00 1.78 1.72 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0 G 7.24 3.74 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 0.00 0.00 0.00 1 S 8.96 4.79 0.00 3.80 3.75 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 2 W 8.21 4.90 0.00 3.27 2.99 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 3 V 9.27 4.41 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 0.98 0.00 0.00 0.99 0.00 0.00 4 I 8.17 4.76 1.75 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.75 0.00 0.00 5 P 0.00 4.62 0.00 2.15 2.02 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 6 P 0.00 4.26 0.00 2.17 2.07 0.00 3.68 0.00 0.00 3.63 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 7 I 8.21 4.62 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.84 0.00 0.00 8 S 8.65 5.10 0.00 3.82 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 9 C 8.96 4.87 0.00 3.10 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 10 P 0.00 5.02 0.00 2.16 2.18 0.00 3.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 11 E 8.93 4.19 0.00 2.29 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 0.00 2.51 2.32 0.00 12 N 8.80 4.45 0.00 2.94 2.98 0.00 0.00 6.99 7.27 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 13 E 7.52 4.18 0.00 2.22 1.91 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 2.55 2.53 0.00 14 K 8.36 4.25 0.00 1.68 1.69 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 15 G 8.25 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.34 0.00 2.11 2.00 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 17 F 8.36 4.74 0.00 2.99 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 18 P 0.00 4.90 0.00 2.11 2.10 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 19 K 8.83 4.46 0.00 1.61 1.69 0.00 1.37 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.40 7.81 20 N 8.54 4.74 0.00 2.36 2.60 0.00 0.00 6.99 7.85 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 21 L 9.32 4.54 0.00 1.68 1.72 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.57 4.62 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 0.69 0.00 0.00 0.89 0.00 0.00 23 Q 8.18 4.29 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.92 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 24 I 8.04 3.84 1.77 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 1.03 0.94 0.82 0.00 0.00 25 K 8.70 4.64 0.00 1.57 1.62 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.15 7.81 26 S 9.01 4.99 0.00 3.28 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 27 N 9.20 4.71 0.00 2.76 2.79 0.00 0.00 6.61 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 28 K 8.01 4.05 0.00 1.58 1.71 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.59 7.81 29 D 7.69 4.96 0.00 2.76 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 30 K 7.66 4.10 0.00 1.87 1.88 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.59 7.81 31 E 8.15 4.49 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 32 G 7.08 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 33 K 7.58 4.13 0.00 1.68 1.25 0.00 1.41 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.28 7.81 34 V 7.74 4.15 1.69 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 0.17 0.00 0.00 0.73 0.00 0.00 35 F 8.44 5.07 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.04 5.58 0.00 3.04 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 37 S 9.21 5.18 0.00 3.96 4.01 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 38 I 8.46 5.45 1.94 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 1.51 0.83 0.96 0.00 0.00 39 T 9.18 4.70 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 1.25 0.00 0.00 40 G 9.34 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 0.00 0.00 0.00 0.00 41 Q 7.72 4.29 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.41 0.00 0.00 0.00 0.00 0.00 2.58 2.36 0.00 42 G 9.39 4.72 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 43 A 7.76 4.94 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 44 D 8.21 5.16 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.71 4.82 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 1.27 0.00 0.00 46 P 0.00 4.62 0.00 1.99 2.07 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 47 P 0.00 4.53 0.00 2.16 2.25 0.00 3.93 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 48 V 8.54 4.07 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 0.84 0.00 0.00 0.94 0.00 0.00 49 G 8.92 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.35 3.48 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.87 0.00 0.00 51 F 8.26 5.43 0.00 2.89 2.87 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 52 I 8.77 4.88 1.94 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 1.16 1.15 0.94 0.00 0.00 53 I 8.32 5.10 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 1.09 0.00 0.00 54 E 9.09 4.32 0.00 2.30 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 0.00 2.46 2.38 0.00 55 R 9.12 4.61 0.00 1.99 2.08 0.00 3.21 0.00 0.00 3.07 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 56 E 8.45 4.26 0.00 2.15 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 2.61 2.51 0.00 57 T 8.15 4.14 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 1.43 0.00 0.00 58 G 8.50 3.65 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 0.00 0.00 0.00 59 W 7.77 4.42 0.00 3.38 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 60 L 9.12 4.94 0.00 1.79 1.76 1.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.60 5.38 0.00 1.73 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.64 7.81 62 V 8.64 4.76 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 0.88 0.00 0.00 0.68 0.00 0.00 63 T 8.54 4.51 4.17 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 1.23 0.00 0.00 64 E 7.30 3.47 0.00 1.66 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 1.89 2.03 0.00 65 P 0.00 4.42 0.00 1.87 2.05 0.00 3.26 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 66 L 8.45 4.68 0.00 1.68 1.70 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.36 4.92 0.00 2.74 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 68 R 8.83 4.06 0.00 1.87 2.08 0.00 3.50 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 69 E 8.24 4.09 0.00 2.12 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 2.31 2.35 0.00 70 R 7.93 4.11 0.00 1.91 2.11 0.00 3.18 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 71 I 7.62 4.37 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.03 0.00 0.00 72 A 8.45 4.46 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 73 T 7.43 5.14 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 1.14 0.00 0.00 74 Y 8.76 5.12 0.00 2.76 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 T 8.89 4.64 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 1.03 0.00 0.00 76 L 8.26 5.15 0.00 1.33 1.41 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.99 5.15 0.00 3.07 2.87 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 78 S 8.66 5.23 0.00 3.70 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 79 H 9.66 5.75 0.00 3.22 3.35 0.00 5.56 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 80 A 8.73 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.55 4.92 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 0.80 0.00 0.00 1.09 0.00 0.00 82 S 9.29 5.04 0.00 3.79 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 83 S 8.62 4.68 0.00 4.14 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 84 N 7.94 4.72 0.00 2.69 2.86 0.00 0.00 6.97 8.95 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 85 G 7.96 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 86 N 7.61 4.92 0.00 2.76 2.70 0.00 0.00 6.94 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.48 4.47 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 88 V 8.30 4.11 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 0.63 0.00 0.00 0.74 0.00 0.00 89 E 7.47 4.64 0.00 1.67 1.50 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 1.58 1.47 0.00 90 D 8.55 4.70 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.77 0.00 1.98 1.90 0.00 3.74 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 2.09 2.26 0.00 92 M 8.55 4.46 0.00 1.17 1.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 93 E 8.76 3.72 0.00 2.01 1.70 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 1.86 1.47 0.00 94 I 8.35 4.26 1.57 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.73 0.68 0.00 0.00 95 L 8.36 4.84 0.00 1.52 1.46 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.52 4.49 1.64 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.11 0.83 0.00 0.00 97 T 8.34 4.84 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 98 V 8.58 4.81 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 0.93 0.00 0.00 1.27 0.00 0.00 99 T 8.37 4.81 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 1.23 0.00 0.00 100 D 8.64 4.36 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 Q 8.45 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.