NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 4.1062 8.2085 108.0354 46.1359 0.0000 172.2698 -1 A 5.3404 8.4930 123.0802 48.4203 21.7139 173.6889 0 M 4.9746 8.6890 118.3847 54.1367 35.8104 172.2658 1 V 4.9853 8.2048 118.1489 60.4790 34.6649 174.9493 2 D 4.7081 8.8872 121.2224 52.9391 42.5276 173.3932 3 T 5.2364 7.7558 106.5400 60.9821 70.7192 173.7258 4 L 4.5221 9.1707 122.3276 55.9660 47.3823 175.0591 *22 D 4.4676 8.0252 116.9291 53.9902 41.9560 174.9166 23 S 4.3554 9.3130 117.7161 58.3783 63.5241 174.0774 24 A 4.9442 8.4047 126.2374 51.1461 20.9183 176.3470 25 T 4.6205 8.8338 117.0484 61.8232 72.0645 172.8923 26 H 4.4858 8.8541 126.4345 55.7823 30.5714 174.1949 27 I 4.6619 8.7674 126.9694 59.4315 40.5525 174.7267 28 K 4.8983 8.7376 125.6353 54.7710 34.6702 175.1468 29 F 5.3091 9.2965 125.7834 56.5083 42.6181 173.7742 30 S 4.6704 8.0273 121.0777 56.3164 66.7464 172.7710 31 K 4.5849 8.2191 124.6906 55.0322 33.7830 175.1932 32 R 5.2069 8.8000 125.8990 54.5714 35.0934 174.4434 33 D 5.3664 8.6895 120.6499 51.1134 42.0245 177.1491 34 I 3.7965 8.4719 110.7551 63.3287 37.7073 176.2409 35 D 4.5011 8.2746 119.5641 54.1580 40.9403 177.0750 36 G 3.8928 8.2911 107.6951 45.4917 0.0000 174.2496 37 K 4.1481 7.9915 119.8765 55.7029 32.6790 176.2067 38 E 4.4793 8.6333 122.7879 56.4485 30.0268 175.8251 39 L 4.5751 8.7101 127.6475 53.3418 43.2395 175.8789 40 A 4.3565 8.5621 128.1502 52.1277 19.8396 177.3653 41 G 3.8309 9.1429 108.3234 44.7481 0.0000 173.4570 42 A 4.4796 8.0312 122.9117 51.3548 20.2186 176.9580 43 T 4.4718 8.7239 120.4221 63.1972 69.9439 173.9692 44 M 4.7772 8.4085 125.9284 53.2212 35.6526 174.6072 45 E 5.1516 8.8556 120.8024 54.4914 34.1727 174.3043 46 L 5.1877 9.3474 125.3637 53.6207 44.2779 175.2936 47 R 5.2895 9.0065 125.3571 54.3290 33.8628 175.8723 48 D 4.8624 8.7154 122.7565 52.2638 40.8651 177.1595 49 S 3.9535 8.0393 112.9216 60.5665 63.0043 175.0733 50 S 4.2050 8.0390 114.1750 58.6375 63.3006 174.9849 51 G 3.8682 8.2346 110.0416 45.1659 0.0000 173.5857 52 K 4.0790 8.0167 122.0443 55.9692 32.7570 176.1646 53 T 4.5355 8.5160 123.4834 63.7448 68.5927 174.0924 54 I 4.4962 8.6593 120.2951 61.1587 39.4203 175.7670 55 S 4.9125 7.9549 116.8546 57.4900 65.9168 172.6895 56 T 5.4693 8.8011 122.2794 61.7556 71.7318 172.9803 57 W 5.3319 8.9211 121.5751 55.4804 32.4477 172.8801 58 I 4.8766 8.3090 120.6884 58.7923 39.4159 175.2296 59 S 4.6191 9.0769 125.2415 58.4795 63.9893 174.3724 60 D 4.7465 8.5846 119.8383 52.9834 40.2714 176.3305 61 G 3.9480 8.7099 106.7816 45.7935 0.0000 173.4441 62 Q 4.6978 7.7932 117.4008 53.2600 31.8378 175.5450 63 V 3.8316 8.1381 119.8091 63.1311 32.6111 174.8723 64 K 4.3324 9.0449 128.5885 54.8200 33.9778 174.6998 65 D 5.1180 8.1617 126.7607 53.1906 42.7174 175.7944 66 F 4.9432 8.9847 119.5226 56.0557 43.9328 173.6474 67 Y 5.0005 8.9703 118.6071 56.4834 40.2076 174.7469 68 L 4.8946 8.8470 124.7250 52.8128 45.1927 176.7937 69 M 4.7066 8.7352 121.8206 54.2313 33.1587 174.3279 70 P 4.5676 0.0000 0.0000 62.4169 32.3335 176.5261 71 G 3.8019 7.8996 110.3135 46.1978 0.0000 170.3785 72 K 4.8244 7.5749 120.9387 54.8860 33.8775 174.8050 73 Y 4.6870 8.2914 123.2197 56.5971 43.1735 174.0286 74 T 5.0280 8.5936 116.4990 61.9888 72.8145 173.2805 75 F 5.2994 9.4044 125.5515 56.6842 40.8382 174.9064 76 V 4.6022 8.9876 123.8657 60.9537 34.1714 173.7891 77 E 4.7431 8.8455 129.4393 55.7841 29.9354 176.2975 78 T 4.3683 8.7101 118.1373 63.0068 70.2322 175.0467 79 A 4.6843 7.7261 122.8657 50.6683 22.5515 175.0131 80 A 5.2364 8.7338 123.3952 48.5642 21.8288 174.6939 81 P 4.5745 0.0000 0.0000 62.0307 33.2933 175.4309 82 D 4.4584 8.6456 119.9392 56.3593 40.9748 177.4981 83 G 3.8376 9.1591 110.9610 45.5131 0.0000 172.4733 84 Y 4.7198 7.5353 115.6893 55.9022 41.0877 175.2998 85 E 4.4772 7.9288 119.5007 54.9711 30.9372 176.7005 86 V 3.8052 8.1483 120.8703 62.7383 32.1074 176.0832 87 A 4.3222 9.0216 130.6610 51.8712 18.9984 177.3335 88 T 4.0553 8.2235 116.2101 63.1479 69.1885 174.7976 89 A 4.4381 8.4676 126.2398 52.4577 19.6607 176.9322 90 I 4.5373 8.9161 121.1440 59.9632 39.5878 175.1425 91 T 5.0008 8.6866 124.6151 62.8697 69.5914 174.2872 92 F 5.4107 8.9454 120.0214 55.8335 42.0952 173.1369 93 T 5.1714 9.0781 109.2137 59.9744 72.4630 172.8590 94 V 5.1092 8.8225 122.1710 61.3405 35.1380 174.4228 95 N 5.2851 8.8042 124.7046 50.7152 40.0628 175.2320 96 E 3.9366 8.8976 119.0456 59.3589 29.6332 177.2451 97 Q 4.2380 8.2048 114.8023 55.8648 28.9264 176.4460 98 G 4.2514 8.2648 106.6080 45.0251 0.0000 173.4368 99 Q 4.3729 8.5787 122.6253 55.7950 30.2776 174.8134 100 V 5.1005 9.0041 126.8248 61.4677 34.4757 174.1986 101 T 5.1247 9.0483 123.9472 61.7896 72.2368 173.0424 102 V 4.5941 8.6935 125.9564 61.1565 34.4624 175.3303 103 N 4.3145 9.9694 127.5702 54.5377 35.9536 175.3581 104 G 3.8959 8.3647 103.1359 45.2049 0.0000 172.7468 105 K 4.5834 8.0433 121.9365 54.5260 34.0237 174.6640 106 A 5.3045 8.6336 128.9646 50.7334 21.4879 175.2390 107 T 4.7505 8.8894 114.1224 60.5502 71.6204 172.6384 108 K 4.7669 8.5799 124.1211 55.6117 35.7725 174.0911 109 G 3.7238 8.8418 116.3014 46.6388 0.0000 172.9728 110 D 4.2369 8.7048 125.9384 54.6456 38.5886 173.7789 111 A 4.4178 7.8411 119.8915 52.8056 19.9324 177.2551 112 H 5.0360 9.4127 122.0078 54.6192 33.0269 171.9168 113 I 4.7299 9.0044 128.0653 59.9862 39.2135 175.1231 114 V 4.3883 8.6398 126.6997 61.1436 34.2768 173.6561 115 M 4.8379 8.4450 128.4221 54.1959 33.7400 174.5414 116 V 4.5115 8.7887 127.4077 61.8375 32.6418 174.5842 117 D 4.9562 9.2577 128.1917 52.6403 42.0032 176.7491 118 A 4.3737 8.6542 125.2883 52.3454 19.2026 176.5363 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 -2 G 8.21 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 -1 A 8.49 5.34 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 0 M 8.69 4.97 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 1 V 8.20 4.99 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 0.93 0.00 0.00 2 D 8.89 4.71 0.00 2.72 2.77 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 3 T 7.76 5.24 4.31 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 1.27 0.00 0.00 4 L 9.17 4.52 0.00 1.63 1.73 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *22 D 8.03 4.47 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 23 S 9.31 4.36 0.00 4.08 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 24 A 8.40 4.94 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 25 T 8.83 4.62 4.28 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 1.22 0.00 0.00 26 H 8.85 4.49 0.00 2.80 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.77 4.66 1.91 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 1.36 0.96 0.86 0.00 0.00 28 K 8.74 4.90 0.00 1.39 1.35 0.00 1.56 0.00 0.00 1.37 0.00 0.00 2.64 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.05 7.81 29 F 9.30 5.31 0.00 2.93 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 30 S 8.03 4.67 0.00 3.51 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.58 0.00 1.97 1.67 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 32 R 8.80 5.21 0.00 1.64 1.72 0.00 3.03 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.38 0.00 33 D 8.69 5.37 0.00 2.92 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 34 I 8.47 3.80 1.88 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 1.45 0.62 0.94 0.00 0.00 35 D 8.27 4.50 0.00 2.85 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 36 G 8.29 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 0.00 0.00 0.00 37 K 7.99 4.15 0.00 2.14 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 38 E 8.63 4.48 0.00 1.83 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 2.28 2.37 0.00 39 L 8.71 4.58 0.00 1.45 1.41 0.74 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.56 4.36 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 41 G 9.14 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 42 A 8.03 4.48 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 43 T 8.72 4.47 4.15 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 0.00 0.00 0.00 1.10 0.00 0.00 44 M 8.41 4.78 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 45 E 8.86 5.15 0.00 1.79 1.81 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 2.19 2.11 0.00 46 L 9.35 5.19 0.00 1.87 1.65 0.44 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.01 5.29 0.00 1.69 1.74 0.00 3.17 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 48 D 8.72 4.86 0.00 2.74 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 49 S 8.04 3.95 0.00 3.83 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 50 S 8.04 4.21 0.00 3.96 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 51 G 8.23 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 0.00 0.00 0.00 52 K 8.02 4.08 0.00 1.82 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 53 T 8.52 4.54 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 1.28 0.00 0.00 54 I 8.66 4.50 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.96 0.00 0.00 55 S 7.95 4.91 0.00 4.14 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 56 T 8.80 5.47 4.34 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 1.25 0.00 0.00 57 W 8.92 5.33 0.00 3.41 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 58 I 8.31 4.88 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.97 0.00 0.00 59 S 9.08 4.62 0.00 4.04 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 60 D 8.58 4.75 0.00 2.75 2.77 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 61 G 8.71 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 62 Q 7.79 4.70 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 63 V 8.14 3.83 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 0.57 0.00 0.00 0.87 0.00 0.00 64 K 9.04 4.33 0.00 1.73 1.80 0.00 0.92 0.00 0.00 0.68 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 65 D 8.16 5.12 0.00 2.47 2.51 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 66 F 8.98 4.94 0.00 2.85 2.78 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 67 Y 8.97 5.00 0.00 2.81 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 68 L 8.85 4.89 0.00 1.44 1.24 0.29 0.87 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 69 M 8.74 4.71 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 70 P 0.00 4.57 0.00 1.95 2.03 0.00 3.89 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 71 G 7.90 3.80 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 0.00 0.00 0.00 72 K 7.57 4.82 0.00 1.58 1.43 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.26 7.81 73 Y 8.29 4.69 0.00 1.43 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 0.00 0.00 0.00 0.00 74 T 8.59 5.03 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 1.28 0.00 0.00 75 F 9.40 5.30 0.00 3.09 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 76 V 8.99 4.60 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 0.98 0.00 0.00 0.96 0.00 0.00 77 E 8.85 4.74 0.00 2.09 1.82 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 2.30 2.34 0.00 78 T 8.71 4.37 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 1.16 0.00 0.00 79 A 7.73 4.68 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 80 A 8.73 5.24 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 81 P 0.00 4.57 0.00 2.20 2.20 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 82 D 8.65 4.46 0.00 2.74 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 83 G 9.16 3.84 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 0.00 0.00 0.00 0.00 84 Y 7.54 4.72 0.00 3.06 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 0.00 85 E 7.93 4.48 0.00 2.00 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 2.32 2.25 0.00 86 V 8.15 3.81 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 0.83 0.00 0.00 0.94 0.00 0.00 87 A 9.02 4.32 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 88 T 8.22 4.06 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 1.25 0.00 0.00 89 A 8.47 4.44 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 90 I 8.92 4.54 2.29 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 1.39 0.91 1.17 0.00 0.00 91 T 8.69 5.00 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 1.18 0.00 0.00 92 F 8.95 5.41 0.00 3.26 3.12 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 93 T 9.08 5.17 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 1.18 0.00 0.00 94 V 8.82 5.11 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 1.08 0.00 0.00 1.19 0.00 0.00 95 N 8.80 5.29 0.00 2.89 2.95 0.00 0.00 6.27 6.95 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 96 E 8.90 3.94 0.00 1.95 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 2.31 2.42 0.00 97 Q 8.20 4.24 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 98 G 8.26 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 0.00 0.00 0.00 0.00 99 Q 8.58 4.37 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 100 V 9.00 5.10 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 1.06 0.00 0.00 1.02 0.00 0.00 101 T 9.05 5.12 4.31 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 1.31 0.00 0.00 102 V 8.69 4.59 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 1.04 0.00 0.00 103 N 9.97 4.31 0.00 2.91 2.87 0.00 0.00 7.24 7.65 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 0.00 104 G 8.36 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 0.00 0.00 0.00 105 K 8.04 4.58 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 106 A 8.63 5.30 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 0.00 107 T 8.89 4.75 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 1.27 0.00 0.00 108 K 8.58 4.77 0.00 1.63 1.66 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 109 G 8.84 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 0.00 110 D 8.70 4.24 0.00 2.92 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 0.00 111 A 7.84 4.42 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 0.00 112 H 9.41 5.04 0.00 3.09 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 9.00 4.73 2.02 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.41 1.11 0.00 0.00 114 V 8.64 4.39 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 0.79 0.00 0.00 0.70 0.00 0.00 115 M 8.44 4.84 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 116 V 8.79 4.51 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 0.82 0.00 0.00 0.90 0.00 0.00 117 D 9.26 4.96 0.00 2.60 2.45 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 0.00 118 A 8.65 4.37 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 * Residues marked with a * may have inaccurate shift predictions.