NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0316 8.0544 120.3913 62.8643 32.8478 174.0722 9 T 4.6513 8.9527 121.7674 59.4158 70.2397 167.0774 10 V 4.9888 9.4215 131.2454 61.1228 34.8609 173.4845 11 A 5.1252 8.8914 129.9919 50.2136 20.9304 175.9263 12 G 4.0898 9.4051 111.4820 46.2657 0.0000 172.1521 13 I 5.0294 9.0993 126.6553 59.3947 39.5287 175.4385 14 G 4.4155 8.9634 113.8423 44.7118 0.0000 171.3093 15 C 5.2421 8.3243 116.0760 56.5794 32.6710 173.4886 16 R 4.1943 7.8803 120.9326 55.5401 30.7325 176.2733 17 K 3.7244 8.5753 123.3632 58.9183 32.3682 176.9363 18 G 3.7436 9.1482 112.6222 45.7514 0.0000 170.6975 19 A 4.6261 7.7537 123.5703 50.1163 22.4834 176.1534 20 A 4.2450 8.4227 125.9202 51.6492 19.5323 178.5633 21 S 4.3266 8.7526 116.8095 61.7039 62.9783 176.7548 22 D 4.3785 8.0868 121.7127 55.7514 39.2094 178.3402 23 A 3.9927 7.8053 122.3982 55.0421 18.3897 179.5987 24 I 3.6392 7.6646 117.8429 64.5232 37.2844 178.5057 25 I 3.6473 7.8766 120.3299 64.3611 36.9824 178.1830 26 A 3.9797 8.0487 121.2621 55.3304 18.3198 179.5674 27 A 3.9522 8.0180 119.1481 55.1429 18.4033 180.1593 28 V 3.5677 7.8500 116.8215 66.3347 31.7411 178.6570 29 R 4.2372 8.3762 118.8567 58.5154 29.7307 178.9601 30 A 3.9477 8.2375 120.7183 54.8609 18.4725 179.4954 31 A 3.8333 7.9099 118.9862 55.2679 18.0944 179.6309 32 E 4.0556 8.3016 117.0416 59.7747 29.3603 179.9638 33 R 3.8978 7.6833 116.2956 59.2519 30.2482 178.8229 34 A 3.9090 7.9909 119.5538 53.9647 18.3251 178.5415 35 F 5.0898 7.6660 113.0168 56.1360 40.7861 175.4467 36 G 3.8254 8.2728 106.3557 47.1136 0.0000 173.5789 37 V 4.5032 7.8164 110.4264 59.2973 35.1590 175.6957 38 T 4.6283 8.0941 116.3165 61.6683 70.8093 174.4035 39 V 3.8065 9.0301 128.2840 62.9341 31.8686 175.2467 40 D 5.0639 8.5113 125.3646 53.1859 40.5107 175.2195 41 Y 4.7390 7.7505 119.3338 56.9463 42.3219 173.0080 42 L 5.2235 8.1602 125.8536 53.3066 44.8974 175.2485 43 A 5.0877 8.5596 121.7720 51.2931 23.1635 174.9878 44 T 4.8324 8.8819 113.2934 60.7965 71.6284 172.8743 45 A 4.6764 8.3976 126.7750 50.1021 20.2851 175.2129 46 P 4.2901 0.0000 0.0000 63.0968 31.5742 176.9751 47 L 4.3694 8.5609 124.9100 55.0957 42.7143 176.1753 48 K 4.0065 8.8543 119.4699 56.6929 32.0115 177.2805 49 A 4.4103 9.0527 125.1220 53.8664 21.1591 177.9707 50 D 4.9079 7.8264 113.9491 52.8460 42.8701 175.6907 51 E 4.6471 8.3994 119.5823 55.0417 32.2488 177.0163 52 A 4.2663 8.1388 121.9314 54.7110 18.4668 179.4994 53 G 3.7321 7.6960 105.6409 47.4149 0.0000 175.7524 54 L 3.9765 7.8509 122.1544 57.7134 41.7141 178.7107 55 A 4.0233 7.6728 119.5224 55.0856 18.3129 179.4764 56 E 4.0073 8.4706 116.9651 59.1544 29.4892 179.3364 57 A 4.0211 7.8646 121.0447 54.8650 18.4699 179.4399 58 A 4.0150 7.8463 118.9503 55.1159 18.3373 179.8456 59 K 4.0184 7.7630 117.3549 59.5607 32.0699 179.4250 60 G 3.6121 7.8444 105.1419 47.5618 0.0000 175.0485 61 L 4.2349 8.3607 119.2531 54.0312 42.2741 176.7523 62 S 3.7423 7.6021 112.4272 59.5829 62.3034 171.9226 63 L 4.9039 7.9866 118.3509 54.0156 44.7985 177.5521 64 S 4.4155 8.4588 116.8437 58.2825 64.5464 172.7447 65 L 4.8461 8.1561 123.5538 53.1444 44.6148 174.9390 66 E 4.4936 8.6815 127.3262 54.6626 31.5902 174.8811 67 I 4.5191 8.3392 129.0342 60.1361 37.3372 175.3179 68 V 3.9503 8.6486 128.3557 61.8176 32.1379 176.0285 69 A 4.1651 8.6998 130.6382 52.1331 19.1527 177.9304 70 Q 4.0121 8.6847 121.0958 59.2933 29.2154 178.8012 71 E 3.9446 8.1306 119.3407 59.3269 29.5216 179.0861 72 R 3.9777 7.8900 118.2927 59.0527 30.2433 178.3371 73 L 3.9652 8.0334 118.8766 57.8728 41.6118 179.2313 74 E 3.9340 8.4444 118.4638 59.3030 29.3042 179.2327 75 A 3.9642 7.8679 120.3554 55.2254 18.4858 179.8514 76 V 3.4902 7.7846 116.3957 66.1299 31.4097 178.0023 77 A 4.0577 8.1890 120.3467 54.4621 18.2578 179.1808 78 A 4.0325 7.9622 118.3058 55.4098 18.8307 179.2681 79 E 4.0891 8.4096 117.6332 59.4901 29.7376 179.2795 80 T 4.4649 7.9278 110.2640 62.9096 69.3281 176.6385 *82 T 3.9985 8.1309 111.1217 60.9157 70.9725 173.7505 83 F 4.9825 7.6137 123.6096 56.5819 42.2583 176.0825 84 S 4.8648 7.9303 117.7229 58.3790 62.9561 176.1663 85 Q 4.5899 8.2850 119.6172 57.8396 28.9118 178.2095 86 A 4.3051 7.8582 119.1072 53.5959 18.7965 178.4330 87 S 4.3150 8.1720 112.8199 59.7133 63.2858 174.0532 88 L 5.0120 7.2662 118.4862 53.8992 42.3654 175.6624 89 D 4.8176 8.5935 119.2973 53.2325 39.6143 175.0589 90 H 4.9651 7.5343 114.1854 54.4959 31.8175 172.1659 91 S 4.4615 8.5732 115.4403 59.0476 64.5570 173.7876 92 G 3.9692 8.2749 113.7498 46.2501 0.0000 176.1379 93 S 4.4068 8.5974 118.5145 56.2675 62.9321 171.6455 94 P 4.6777 0.0000 0.0000 62.2633 32.1562 176.6133 95 S 4.4540 9.4401 115.7627 57.6779 65.2364 175.5314 96 V 3.5810 8.2347 121.0535 66.5170 31.2006 178.2006 97 S 4.1807 8.0138 114.2396 61.4407 62.7196 176.4261 98 E 3.9468 7.9225 121.1156 59.4537 29.3799 179.3028 99 A 4.0553 8.5079 120.8868 54.7573 18.3500 179.6723 100 A 3.9331 8.0495 119.4721 55.2992 18.5118 179.7064 101 A 4.0056 8.0493 119.3675 55.3667 18.3747 179.9183 102 L 4.0025 8.1417 117.3202 57.5936 41.4417 179.5925 103 A 3.9612 7.8002 119.7746 55.1849 18.4501 179.3202 104 A 4.2733 7.9025 117.9020 55.0177 18.5108 179.4928 105 A 4.0309 7.8402 119.0879 56.0624 19.3072 177.5209 106 G 3.6984 8.8489 103.3519 44.3264 0.0000 172.4645 107 A 4.6462 8.1198 122.9820 50.5290 20.4237 178.3344 108 G 3.6663 8.3213 108.6097 45.1703 0.0000 173.7571 109 A 4.3154 8.2398 129.7146 51.5205 19.3627 176.8344 110 R 4.8248 7.8967 114.1538 54.3615 32.6107 174.3224 111 L 4.4359 8.9249 120.4792 54.6575 42.1641 177.6130 112 V 4.1679 8.0843 115.0682 61.0699 33.1306 175.6497 113 A 4.3443 7.2534 121.1639 48.8937 21.8921 173.8474 114 P 4.3756 0.0000 0.0000 61.9152 32.2175 176.2363 115 R 3.9373 8.4308 119.9069 57.0918 30.5557 175.1620 116 L 4.8823 8.6729 127.8543 53.2043 44.9872 174.8741 117 V 4.7846 8.5218 125.5602 61.0653 33.8295 174.7816 118 V 4.2328 8.6856 127.6923 61.8678 33.6130 175.5054 119 G 4.1325 8.4325 119.9227 46.9008 0.0000 173.3341 120 D 5.0519 8.5669 120.0984 52.9010 39.5336 174.5696 121 V 4.6976 7.6225 119.0355 62.5722 34.3621 174.4766 122 T 4.8300 9.1756 125.5085 62.7083 70.3372 174.0224 123 V 4.9111 9.2931 125.5183 61.0671 34.7721 173.7577 124 A 4.9575 9.0498 129.9840 50.1903 21.8742 174.7423 125 I 4.7915 8.3042 123.0048 59.8571 39.7216 174.7459 126 A 5.6887 8.6438 130.3257 49.5185 22.5233 174.6008 *128 T 4.2438 8.3103 109.2465 61.8138 68.4015 174.6620 129 S 4.2502 8.7875 119.4311 61.2478 62.8951 174.7172 130 D 4.5040 7.9363 122.2311 53.3422 39.4632 175.9928 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 8 V 8.05 4.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 9 T 8.95 4.65 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 1.36 0.00 0.00 10 V 9.42 4.99 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 1.16 0.00 0.00 1.04 0.00 0.00 11 A 8.89 5.13 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 12 G 9.41 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 13 I 9.10 5.03 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 1.27 0.96 0.91 0.00 0.00 14 G 8.96 4.42 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 0.00 15 C 8.32 5.24 0.00 2.93 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 16 R 7.88 4.19 0.00 1.97 1.86 0.00 3.44 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 17 K 8.58 3.72 0.00 1.78 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 G 9.15 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 19 A 7.75 4.63 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 20 A 8.42 4.24 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 21 S 8.75 4.33 0.00 4.05 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 22 D 8.09 4.38 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 23 A 7.81 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 24 I 7.66 3.64 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.78 0.90 0.00 0.00 25 I 7.88 3.65 1.87 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 1.45 1.06 0.91 0.00 0.00 26 A 8.05 3.98 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 27 A 8.02 3.95 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 28 V 7.85 3.57 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 1.04 0.00 0.00 1.01 0.00 0.00 29 R 8.38 4.24 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 30 A 8.24 3.95 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 31 A 7.91 3.83 1.55 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 0.00 0.00 32 E 8.30 4.06 0.00 2.23 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 2.46 2.58 0.00 33 R 7.68 3.90 0.00 1.88 1.94 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 34 A 7.99 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.67 5.09 0.00 3.19 2.97 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 0.00 0.00 0.00 36 G 8.27 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.82 4.50 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 0.85 0.00 0.00 1.05 0.00 0.00 38 T 8.09 4.63 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 1.29 0.00 0.00 39 V 9.03 3.81 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 0.85 0.00 0.00 0.98 0.00 0.00 40 D 8.51 5.06 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.75 4.74 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.16 5.22 0.00 1.62 1.42 0.87 0.45 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 43 A 8.56 5.09 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 44 T 8.88 4.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 45 A 8.40 4.68 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 46 P 0.00 4.29 0.00 1.95 2.05 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 47 L 8.56 4.37 0.00 1.73 1.66 0.92 0.47 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 48 K 8.85 4.01 0.00 1.75 1.61 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.41 7.81 49 A 9.05 4.41 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 50 D 7.83 4.91 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.65 0.00 2.08 2.08 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 2.24 2.23 0.00 52 A 8.14 4.27 1.33 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 53 G 7.70 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 0.00 0.00 0.00 54 L 7.85 3.98 0.00 1.76 1.65 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.67 4.02 1.33 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 56 E 8.47 4.01 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 57 A 7.86 4.02 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 58 A 7.85 4.02 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 59 K 7.76 4.02 0.00 1.86 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 60 G 7.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.36 4.23 0.00 1.57 1.72 0.91 0.94 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 62 S 7.60 3.74 0.00 4.10 3.99 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 63 L 7.99 4.90 0.00 1.43 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.46 4.42 0.00 3.77 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 65 L 8.16 4.85 0.00 1.47 1.41 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.68 4.49 0.00 2.23 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 2.27 2.34 0.00 67 I 8.34 4.52 1.87 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 1.21 0.66 0.91 0.00 0.00 68 V 8.65 3.95 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 0.73 0.00 0.00 1.10 0.00 0.00 69 A 8.70 4.17 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 70 Q 8.68 4.01 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 71 E 8.13 3.94 0.00 2.10 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 72 R 7.89 3.98 0.00 1.93 2.11 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 73 L 8.03 3.97 0.00 1.94 1.70 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.44 3.93 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 75 A 7.87 3.96 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 76 V 7.78 3.49 2.21 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 1.00 0.00 0.00 1.00 0.00 0.00 77 A 8.19 4.06 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 78 A 7.96 4.03 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 79 E 8.41 4.09 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 80 T 7.93 4.46 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 1.25 0.00 0.00 *82 T 8.13 4.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 83 F 7.61 4.98 0.00 3.03 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 84 S 7.93 4.86 0.00 4.06 3.87 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 85 Q 8.29 4.59 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.38 0.00 86 A 7.86 4.31 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 87 S 8.17 4.31 0.00 4.00 3.91 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 88 L 7.27 5.01 0.00 1.61 1.56 0.90 0.93 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 89 D 8.59 4.82 0.00 2.79 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 90 H 7.53 4.97 0.00 3.18 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.57 4.46 0.00 3.89 3.83 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 0.00 0.00 0.00 0.00 92 G 8.27 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.60 4.41 0.00 3.83 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 94 P 0.00 4.68 0.00 2.23 2.03 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 95 S 9.44 4.45 0.00 4.02 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 96 V 8.23 3.58 2.08 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 1.06 0.00 0.00 0.93 0.00 0.00 97 S 8.01 4.18 0.00 3.91 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 98 E 7.92 3.95 0.00 2.27 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 2.34 2.33 0.00 99 A 8.51 4.06 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 0.00 100 A 8.05 3.93 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 0.00 0.00 0.00 0.00 0.00 101 A 8.05 4.01 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 0.00 102 L 8.14 4.00 0.00 1.73 1.73 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.80 3.96 1.40 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 0.00 104 A 7.90 4.27 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.84 4.03 1.40 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 0.00 106 G 8.85 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 0.00 107 A 8.12 4.65 1.24 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 0.00 0.00 0.00 108 G 8.32 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.24 4.32 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 0.00 110 R 7.90 4.82 0.00 1.92 1.96 0.00 2.95 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 111 L 8.92 4.44 0.00 1.60 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.08 4.17 2.02 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 0.65 0.00 0.00 0.86 0.00 0.00 113 A 7.25 4.34 -0.03 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 0.00 0.00 114 P 0.00 4.38 0.00 2.22 2.06 0.00 3.27 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 115 R 8.43 3.94 0.00 1.80 1.89 0.00 3.35 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 116 L 8.67 4.88 0.00 2.07 1.79 0.93 1.16 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 0.00 117 V 8.52 4.78 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 0.95 0.00 0.00 0.94 0.00 0.00 118 V 8.69 4.23 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 119 G 8.43 4.13 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 0.00 120 D 8.57 5.05 0.00 2.72 2.83 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 0.00 0.00 0.00 0.00 121 V 7.62 4.70 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 1.08 0.00 0.00 0.93 0.00 0.00 122 T 9.18 4.83 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 1.29 0.00 0.00 123 V 9.29 4.91 2.17 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 1.02 0.00 0.00 1.02 0.00 0.00 124 A 9.05 4.96 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 0.00 125 I 8.30 4.79 1.77 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 1.35 1.06 0.91 0.00 0.00 126 A 8.64 5.69 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 *128 T 8.31 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 129 S 8.79 4.25 0.00 3.88 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 0.00 130 D 7.94 4.50 0.00 2.74 2.62 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 * Residues marked with a * may have inaccurate shift predictions.