NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1833 8.1400 114.8158 57.8817 64.4946 173.9918 2 L 4.1081 8.4766 120.7834 57.4610 41.6226 177.2287 3 L 4.0932 8.4613 119.5397 57.9104 42.0246 178.8347 4 E 4.0969 8.0538 117.8962 59.4002 29.4909 178.9001 5 F 4.6783 8.6932 121.0119 61.5050 39.4876 177.3914 6 G 3.5271 9.0866 106.3780 47.5508 0.0000 175.6326 7 K 4.0667 7.9906 121.5003 59.5764 32.1689 178.9135 8 M 4.0863 8.2353 119.0046 58.4122 31.7963 178.6693 9 I 3.5843 7.8122 120.0932 64.3471 37.2431 178.2464 10 L 4.4259 7.8917 122.2856 57.8462 41.7176 178.9031 11 E 4.0075 8.1884 117.4471 59.2427 29.4534 178.6298 12 E 4.2738 8.4451 118.1056 57.9821 29.9194 177.9015 13 T 4.5178 8.2553 107.7598 60.5923 70.7428 175.5386 14 G 3.7852 8.0398 109.7759 45.7374 0.0000 173.1167 *16 K 4.5704 7.4103 117.6129 56.0421 33.3455 174.7457 17 L 4.4774 8.1016 120.9721 53.8833 42.7857 177.5773 18 A 4.0248 8.9079 126.8379 54.8575 18.3602 177.1301 19 I 4.7033 7.6906 115.5712 59.2049 38.8077 173.8528 20 P 5.2476 0.0000 0.0000 62.2562 32.2165 177.5148 21 S 4.1226 7.6021 115.0424 60.7368 62.7448 174.8030 22 Y 4.6082 8.2562 115.2284 57.4524 38.3635 176.0569 23 S 4.4387 8.0559 114.4275 58.4062 64.3400 175.5980 24 S 4.4884 7.7121 115.8032 58.2999 63.4835 172.1427 25 Y 4.7890 8.2137 122.5690 57.8133 40.0768 175.7154 26 G 3.3044 7.9756 116.9640 46.5116 0.0000 172.8919 27 C 4.4564 8.9052 114.3385 58.3259 40.5270 174.5283 28 Y 4.3079 8.7736 115.6892 57.9393 39.7841 174.7178 29 C 4.5799 8.3448 117.8743 58.6234 40.0042 171.5567 30 G 3.3863 6.6988 118.0125 44.7013 0.0000 172.5466 31 W 5.0455 8.1507 127.0264 54.6928 32.8232 174.3387 32 G 4.3261 9.2104 104.7425 46.3586 0.0000 174.2101 33 G 3.7412 7.4598 108.0502 45.1642 0.0000 173.8034 34 K 4.4618 7.0499 119.0642 57.2389 35.1351 175.8289 35 G 4.2891 8.8523 106.8742 44.6620 0.0000 172.1312 36 T 4.3601 8.0561 115.1903 61.2010 69.5320 173.2000 37 P 4.5737 0.0000 0.0000 63.1878 31.8821 176.7162 38 K 3.9168 9.3707 122.4242 58.9296 32.4079 176.2921 39 D 4.4418 7.1882 115.5141 51.3807 41.8019 175.0139 40 A 3.9853 8.7902 119.6810 56.1280 18.3395 179.9715 41 T 3.9274 7.9557 113.6364 66.8967 68.5806 176.2599 42 D 4.4931 8.8764 120.3186 57.4662 41.1721 178.5364 43 R 3.9831 8.2201 118.7901 59.2423 30.0180 178.3217 44 C 4.3108 8.2603 116.5244 60.3666 41.4433 175.5820 45 C 4.3786 8.3882 117.6844 59.7787 38.9507 175.9096 46 F 3.6899 8.3028 122.3980 61.2383 38.8621 177.3601 47 V 3.2894 7.9429 117.8775 66.0391 31.2436 177.3871 48 H 3.7772 8.0436 117.9579 59.1790 29.5680 176.9437 49 D 4.1685 7.9388 120.5988 57.6442 40.4460 178.2393 50 C 4.0752 7.4322 115.6418 59.7835 34.7091 175.0469 51 C 4.2661 8.0712 120.4396 60.0303 44.4490 175.3658 52 Y 4.2695 7.9929 118.3949 61.0186 37.1624 178.7595 53 G 3.6972 8.1213 106.1347 47.4678 0.0000 174.4895 54 N 4.7369 7.6956 115.7377 53.0245 40.0463 175.3778 55 L 4.8143 7.4751 119.7127 52.7382 41.5469 174.6192 56 P 4.2161 0.0000 0.0000 65.6447 32.3132 178.6656 *59 D 4.7101 7.8262 114.7585 54.3258 42.7505 175.4137 *61 C 5.2036 7.5728 115.8556 57.0274 38.2846 172.4356 *67 N 4.8809 7.9594 117.0961 52.6564 38.6127 172.1488 68 P 4.0449 0.0000 0.0000 64.9538 31.8752 178.4726 69 K 3.9589 8.2177 117.9244 58.9580 31.9602 177.1604 70 S 4.5455 7.7805 109.2547 58.1187 64.6347 173.4723 71 D 4.4494 8.3814 120.7746 54.1332 39.7240 175.4596 72 R 4.3994 8.1815 125.4149 55.4432 31.2217 175.4477 73 Y 4.9713 7.3211 117.5302 55.4981 41.6828 173.9297 74 K 4.9767 8.6961 117.9095 54.9071 35.5704 175.2024 75 Y 5.5227 8.3755 120.2494 55.6230 41.6339 173.5560 76 K 4.6186 9.2741 118.9402 55.6730 37.1839 174.6680 77 R 5.1391 8.5147 118.8641 54.5271 31.9473 176.4509 78 V 4.2332 8.5175 123.7145 61.9205 33.9888 174.7615 79 N 4.2582 9.8566 126.2749 54.7513 37.1029 175.0547 80 G 3.9409 8.5532 103.5903 45.1268 0.0000 173.8547 81 A 4.7907 7.5279 122.5640 49.8869 21.3733 175.8871 82 I 4.3847 8.1902 121.5072 61.4220 38.0845 175.7938 83 V 4.3537 9.1371 127.0002 61.1296 34.2247 173.7950 84 C 4.8971 8.8866 126.3179 56.3847 40.4410 173.6848 85 E 4.2846 8.6276 124.1127 55.7912 30.0826 177.3633 86 K 3.9317 8.6748 124.4084 56.7325 33.2071 175.9962 *88 G 4.2091 8.2798 115.0735 45.2753 0.0000 172.6768 89 T 4.0644 8.7553 111.6828 61.4893 70.7772 174.9829 90 S 4.0369 8.6344 116.1032 62.0133 62.1924 177.2958 91 C 4.2700 8.0715 118.3850 60.0332 40.9468 175.7032 92 E 3.9666 8.2760 120.1196 59.4858 29.0707 179.2128 93 N 4.2332 8.3377 116.5801 56.4943 38.6384 177.7968 94 R 3.8718 7.9983 119.3630 59.1501 30.0675 179.2727 95 I 3.6534 7.9420 120.0288 64.4183 37.0467 177.6069 96 C 3.1915 7.6571 119.2403 59.3885 44.3887 175.5414 97 E 3.7419 8.0679 120.1105 59.3073 28.9955 178.7360 98 C 4.1399 7.9191 116.6951 60.0455 40.5720 175.8771 99 D 3.5922 7.9893 120.4753 56.8593 40.3907 178.6327 100 K 3.7089 8.1809 120.2674 59.5222 32.1818 178.5226 101 A 3.8625 7.9650 120.7228 55.0968 18.1462 179.5283 102 A 3.4490 7.7043 118.8057 54.9978 18.4185 179.6974 103 A 3.5011 7.9406 119.4859 55.2738 18.3387 180.0042 104 I 3.6215 7.6331 118.2998 64.4502 36.9128 177.7787 105 C 4.1887 7.8549 118.5363 59.5787 39.6668 175.3377 106 F 4.6107 7.9967 119.6355 60.6667 38.6005 177.4719 107 R 3.9113 7.9423 118.1154 59.7505 29.7432 178.4867 108 Q 4.2670 8.3107 115.7962 57.6978 28.8577 176.8179 109 N 5.0868 7.7940 117.0322 52.8979 39.1088 176.4322 110 L 4.2648 8.0432 121.1392 57.1834 41.7737 179.0497 111 N 4.5132 8.2542 115.3446 54.8016 37.4742 175.5722 112 T 4.5609 7.6783 107.0055 61.0461 69.2457 173.4539 113 Y 4.1531 7.8272 125.1194 57.8694 39.4620 174.8694 114 S 4.9084 8.7672 121.0871 56.1581 66.0167 175.3333 115 K 4.0495 8.7332 122.9545 58.7535 32.1370 178.8513 116 K 3.6227 7.8519 119.2701 59.1519 32.1307 176.5849 117 Y 4.2271 7.3282 114.3552 57.7880 37.9889 175.2064 118 M 4.4198 7.5832 120.4468 55.8643 32.9028 175.8475 119 L 3.6268 8.1064 119.7050 55.9162 39.8810 174.8168 120 Y 4.1599 7.8041 118.7394 56.2769 39.5021 173.1505 121 P 4.1542 0.0000 0.0000 62.1917 32.1157 177.1242 122 D 4.2109 8.3565 121.6953 55.5502 39.7486 177.6501 *124 F 4.7798 7.8720 113.3458 56.3701 39.4032 175.0918 125 L 4.4725 6.9655 120.3809 54.9946 41.7312 176.3456 126 C 4.9023 8.3215 117.2612 54.5954 41.1967 173.1515 127 K 4.5570 8.1493 122.8187 55.3417 34.4906 177.6003 128 G 4.0924 9.5009 109.7918 45.1385 0.0000 171.9383 129 E 4.9512 8.2725 114.3534 54.8911 32.1468 175.1273 130 L 4.5823 8.3847 121.1829 52.4328 42.0714 175.9720 131 K 3.9393 8.3325 125.3878 56.4389 32.9591 175.8628 *133 C 4.9552 8.5795 118.3820 55.8635 42.9162 173.4635 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 S 8.14 5.18 0.00 4.18 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.48 4.11 0.00 2.14 1.89 1.14 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.46 4.09 0.00 1.78 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.05 4.10 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.27 0.00 5 F 8.69 4.68 0.00 3.35 3.18 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 6 G 9.09 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.99 4.07 0.00 2.08 2.26 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.67 1.57 7.81 8 M 8.24 4.09 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.83 0.00 9 I 7.81 3.58 1.84 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.79 0.00 0.00 10 L 7.89 4.43 0.00 1.78 1.83 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.19 4.01 0.00 2.17 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 0.00 2.41 2.74 0.00 12 E 8.45 4.27 0.00 1.94 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 2.46 2.40 0.00 13 T 8.26 4.52 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 1.26 0.00 0.00 14 G 8.04 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 0.00 0.00 0.00 *16 K 7.41 4.57 0.00 1.89 1.64 0.00 1.35 0.00 0.00 0.97 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.26 7.81 17 L 8.10 4.48 0.00 1.74 1.71 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.91 4.02 1.26 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 19 I 7.69 4.70 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.84 1.02 0.00 0.00 20 P 0.00 5.25 0.00 2.25 2.33 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 21 S 7.60 4.12 0.00 3.81 3.34 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 22 Y 8.26 4.61 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.06 4.44 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.71 4.49 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.21 4.79 0.00 2.90 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 26 G 7.98 3.30 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 0.00 27 C 8.91 4.46 0.00 3.00 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 28 Y 8.77 4.31 0.00 3.19 3.07 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 29 C 8.34 4.58 0.00 3.24 3.32 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 30 G 6.70 3.39 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 0.00 31 W 8.15 5.05 0.00 3.55 3.07 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 32 G 9.21 4.33 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 0.00 0.00 0.00 33 G 7.46 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 34 K 7.05 4.46 0.00 2.04 1.78 0.00 1.21 0.00 0.00 2.39 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.52 7.81 35 G 8.85 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 0.00 0.00 0.00 0.00 36 T 8.06 4.36 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 1.14 0.00 0.00 37 P 0.00 4.57 0.00 1.90 1.97 0.00 3.42 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 38 K 9.37 3.92 0.00 0.79 0.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 0.46 7.81 39 D 7.19 4.44 0.00 2.77 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 40 A 8.79 3.99 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 41 T 7.96 3.93 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 0.75 0.00 0.00 42 D 8.88 4.49 0.00 2.85 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 43 R 8.22 3.98 0.00 2.11 1.98 0.00 3.15 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 44 C 8.26 4.31 0.00 3.51 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 45 C 8.39 4.38 0.00 3.37 3.41 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 46 F 8.30 3.69 0.00 2.50 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 47 V 7.94 3.29 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 0.91 0.00 0.00 0.99 0.00 0.00 48 H 8.04 3.78 0.00 3.12 3.28 0.00 5.65 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 49 D 7.94 4.17 0.00 2.69 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 50 C 7.43 4.08 0.00 2.76 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 51 C 8.07 4.27 0.00 2.95 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 52 Y 7.99 4.27 0.00 3.13 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 53 G 8.12 3.70 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 0.00 0.00 0.00 54 N 7.70 4.74 0.00 2.78 2.83 0.00 0.00 6.80 9.20 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 55 L 7.48 4.81 0.00 1.63 1.52 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.22 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 *59 D 7.83 4.71 0.00 2.71 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 *61 C 7.57 5.20 0.00 3.02 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 *67 N 7.96 4.88 0.00 2.79 2.73 0.00 0.00 7.66 7.71 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 68 P 0.00 4.04 0.00 1.31 0.62 0.00 3.39 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.41 0.00 69 K 8.22 3.96 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.53 7.81 70 S 7.78 4.55 0.00 3.98 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 71 D 8.38 4.45 0.00 2.70 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 72 R 8.18 4.40 0.00 1.81 1.74 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 73 Y 7.32 4.97 0.00 3.05 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 74 K 8.70 4.98 0.00 1.77 1.91 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 75 Y 8.38 5.52 0.00 3.09 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 76 K 9.27 4.62 0.00 1.78 1.88 0.00 1.29 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.45 7.81 77 R 8.51 5.14 0.00 1.72 1.93 0.00 3.37 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 78 V 8.52 4.23 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 0.97 0.00 0.00 0.95 0.00 0.00 79 N 9.86 4.26 0.00 2.85 2.85 0.00 0.00 7.27 7.98 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 80 G 8.55 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 0.00 0.00 0.00 81 A 7.53 4.79 1.26 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 82 I 8.19 4.38 1.82 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 0.58 0.76 0.00 0.00 83 V 9.14 4.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.89 4.90 0.00 2.96 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 85 E 8.63 4.28 0.00 2.09 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 2.33 0.00 86 K 8.67 3.93 0.00 1.83 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 *88 G 8.28 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 0.00 0.00 0.00 0.00 89 T 8.76 4.06 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 1.25 0.00 0.00 90 S 8.63 4.04 0.00 3.89 3.90 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 91 C 8.07 4.27 0.00 2.99 3.27 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 92 E 8.28 3.97 0.00 2.18 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 2.55 2.39 0.00 93 N 8.34 4.23 0.00 2.80 2.81 0.00 0.00 7.08 8.52 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 94 R 8.00 3.87 0.00 1.85 1.91 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 95 I 7.94 3.65 1.85 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 1.16 0.58 0.93 0.00 0.00 96 C 7.66 3.19 0.00 1.61 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 97 E 8.07 3.74 0.00 2.05 1.88 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 2.43 2.41 0.00 98 C 7.92 4.14 0.00 3.19 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.99 3.59 0.00 2.73 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 0.00 100 K 8.18 3.71 0.00 1.69 1.87 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.35 7.81 101 A 7.96 3.86 1.26 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 0.00 102 A 7.70 3.45 1.01 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 0.00 0.00 103 A 7.94 3.50 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 0.00 104 I 7.63 3.62 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.86 0.00 0.00 105 C 7.85 4.19 0.00 3.00 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 0.00 106 F 8.00 4.61 0.00 2.99 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 0.00 107 R 7.94 3.91 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 108 Q 8.31 4.27 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 109 N 7.79 5.09 0.00 2.95 2.84 0.00 0.00 6.84 6.75 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 0.00 110 L 8.04 4.26 0.00 1.78 1.74 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.25 4.51 0.00 2.86 2.99 0.00 0.00 5.84 7.71 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 0.00 112 T 7.68 4.56 4.32 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 1.26 0.00 0.00 113 Y 7.83 4.15 0.00 3.01 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 0.00 114 S 8.77 4.91 0.00 3.91 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 0.00 115 K 8.73 4.05 0.00 1.83 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.51 7.81 116 K 7.85 3.62 0.00 1.43 1.35 0.00 1.45 0.00 0.00 1.01 0.00 0.00 2.39 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.50 1.12 7.81 117 Y 7.33 4.23 0.00 1.43 1.65 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 0.00 118 M 7.58 4.42 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 119 L 8.11 3.63 0.00 1.80 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.80 4.16 0.00 3.04 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 0.00 121 P 0.00 4.15 0.00 0.76 1.37 0.00 2.58 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 1.66 1.81 0.00 122 D 8.36 4.21 0.00 2.82 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 *124 F 7.87 4.78 0.00 3.13 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 0.00 125 L 6.97 4.47 0.00 1.14 1.61 -0.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.32 4.90 0.00 2.93 3.18 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 0.00 127 K 8.15 4.56 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.39 7.81 128 G 9.50 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 0.00 129 E 8.27 4.95 0.00 2.16 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 2.23 2.39 0.00 130 L 8.38 4.58 0.00 1.73 1.80 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.33 3.94 0.00 1.88 1.72 0.00 1.68 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.57 7.81 *133 C 8.58 4.96 0.00 3.04 3.18 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 * Residues marked with a * may have inaccurate shift predictions.