NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3489 8.3149 122.0531 55.7377 34.6191 175.0250 4 I 4.5034 7.8525 120.0804 59.4326 40.9035 172.5328 5 R 5.8003 8.8137 128.9409 54.3684 31.6800 174.7070 6 I 5.0403 8.3098 118.0622 59.0152 40.9492 174.2392 7 K 4.7384 9.1079 125.0426 54.7457 34.3360 175.3738 8 L 5.5265 8.3686 124.3151 52.0072 42.7909 174.0887 9 R 4.4823 8.2185 120.0235 54.9966 31.1539 175.1420 10 G 4.4028 8.5696 110.7214 44.3676 0.0000 172.1929 11 F 4.9102 8.5528 116.9635 59.0211 39.4764 176.3694 12 D 4.6985 7.8426 119.6251 53.2742 42.3689 176.3345 13 H 4.5944 8.6213 119.7132 57.5220 29.4513 177.2936 14 K 4.2780 8.9042 116.6945 57.2951 31.3517 177.3659 15 T 4.6317 7.6681 108.1948 60.9015 70.6379 175.5188 16 L 4.9085 7.2893 122.9451 56.3688 42.4855 178.8204 17 D 4.8538 8.2579 116.9439 53.9710 39.7736 176.8416 18 A 4.7022 8.7256 121.5653 51.5713 24.5379 179.0744 19 S 4.5483 7.7581 109.0852 59.5153 63.6921 176.1769 20 A 4.1264 7.7554 124.3657 54.7371 18.7351 178.8528 21 Q 3.9629 7.9697 115.9664 58.0713 29.1745 177.8011 22 K 4.1581 7.1905 116.4895 59.7555 32.3549 178.3390 23 I 3.9001 7.3650 118.7643 64.5160 36.9892 177.2581 24 V 3.7359 8.3189 119.8214 66.0927 30.7287 176.5150 25 E 4.2144 7.9418 115.4229 56.9764 29.7773 177.6202 26 A 4.5998 7.4014 118.2294 52.1301 19.8376 177.9261 27 A 5.1075 7.4465 117.3698 51.8873 22.3489 178.8172 28 R 3.8850 8.1812 114.6175 59.5512 30.0891 178.1490 29 R 4.1183 7.9372 114.9455 57.4368 31.1603 176.1300 30 S 4.7772 8.4907 113.0682 56.9053 63.1722 171.4898 31 G 3.8572 8.0866 107.6592 44.8163 0.0000 172.5664 32 A 4.0614 8.9946 126.7421 52.3910 18.5868 177.9751 33 Q 4.3663 8.3120 118.9033 56.4637 30.2238 175.1468 34 V 4.7983 8.0468 118.1592 62.1255 35.0675 173.8454 35 S 4.6666 8.2429 119.4848 56.3798 64.0769 174.4436 36 G 3.8667 8.8555 113.8276 44.0351 0.0000 171.0202 37 P 4.7226 0.0000 0.0000 62.0269 31.1790 176.4780 38 I 4.0898 9.1965 121.0331 59.5554 38.7325 173.6590 39 P 4.9339 0.0000 0.0000 62.0266 31.6712 175.5949 40 L 4.6638 8.0225 124.7114 53.1336 42.3711 174.6617 41 P 4.1665 0.0000 0.0000 63.0091 32.0312 175.7704 42 T 4.6838 8.1287 117.6545 62.0302 70.2004 174.4132 43 R 4.5230 8.5183 123.8532 54.8480 31.9769 175.6433 44 V 4.7113 8.2794 123.2818 59.7291 34.6115 175.1680 45 R 4.6370 7.5303 119.1647 54.9490 29.5691 177.7469 46 R 4.4656 7.5802 118.8413 56.3342 27.4340 177.5502 47 F 4.9622 7.5101 116.9830 55.6484 40.8113 176.8790 48 T 4.9173 8.5032 117.5359 62.4788 71.3407 173.6384 49 V 4.5614 8.0994 121.2581 61.4257 35.5601 173.2378 50 I 3.7487 8.3195 120.7641 61.2008 37.5110 175.1472 51 R 3.4662 8.3368 124.4950 59.2423 30.4875 176.8156 52 G 4.0766 8.2120 109.8217 45.5963 0.0000 171.5318 53 P 4.3622 0.0000 0.0000 65.5522 31.4085 177.2171 54 F 4.5682 7.8541 121.4198 58.0353 39.4313 174.4788 55 K 4.3532 7.1865 117.5590 56.1366 35.8128 175.7964 56 H 4.9733 8.3756 118.9013 55.6341 30.9768 175.8351 57 K 3.8714 8.0342 116.5566 57.9552 33.5778 177.3892 58 D 4.8952 8.6245 121.1460 55.7478 40.9998 178.8066 59 S 3.6128 7.2852 109.9201 60.5185 61.0758 171.4896 60 R 5.0593 7.5781 130.7383 55.6376 32.9121 174.3957 61 E 4.6274 8.6129 118.7731 56.2266 33.3674 175.1885 62 H 5.0234 8.7487 121.8704 53.6699 31.5559 172.9651 63 F 5.3246 8.5670 118.1546 55.6685 42.7368 173.8685 64 E 4.6736 8.6198 118.7854 53.2306 32.5549 175.0785 65 L 4.2916 8.0097 124.0277 53.3001 43.6062 174.9621 66 R 4.1837 8.1635 126.2253 56.1444 31.9720 176.0096 67 T 4.7805 8.4305 121.2549 62.1605 69.9107 172.4318 68 H 4.6637 9.0831 124.1141 55.3362 29.9794 174.0974 69 N 5.2648 8.8518 119.6739 51.3844 41.9546 173.2174 70 R 4.7509 8.4179 122.6488 54.4182 33.4450 174.1669 71 L 5.2563 8.4219 126.2408 52.3496 45.9939 175.1661 72 V 4.6466 8.3338 124.5239 61.4039 35.3714 173.2041 73 D 5.8468 8.8210 126.6400 51.3425 43.9079 175.1143 74 I 4.1393 8.2755 119.0186 59.9562 39.0029 176.2023 75 I 4.1541 7.9349 120.9783 60.7224 38.6562 178.4261 76 N 4.1792 9.5311 124.1278 53.0423 38.4166 172.3832 77 P 4.5288 0.0000 0.0000 62.4436 28.8576 175.7146 78 N 4.5049 8.1854 124.4578 54.5620 39.2590 175.0675 79 R 4.4338 8.2977 116.3804 56.6166 31.2613 177.3877 80 K 4.4544 7.9722 116.5356 56.3704 32.4242 176.9177 81 T 4.4408 7.5420 110.7142 62.7258 70.5510 176.3029 82 I 4.0359 7.8197 118.7836 61.5620 37.3653 175.3060 83 E 4.2018 8.5355 122.0263 56.6766 30.1519 177.0589 84 Q 4.0957 8.9184 121.5776 57.8137 28.9830 176.5583 85 L 4.4313 6.9633 116.2045 55.5561 44.1906 177.5858 86 M 3.7367 8.0548 124.5063 58.2747 32.8761 177.4809 87 T 4.2409 7.8868 107.1759 62.6789 70.2360 174.5485 88 L 4.2705 7.2013 125.5638 53.5726 40.7890 174.6136 89 D 5.0085 8.2200 124.5305 52.5581 42.7315 176.7863 90 L 4.8722 8.0625 122.5199 53.6934 42.8982 175.1627 91 P 4.4790 0.0000 0.0000 62.9291 32.1529 175.7349 92 T 4.5386 8.9212 113.1194 60.5489 69.1262 173.7989 93 G 5.1188 7.0426 120.6335 46.7567 0.0000 172.4069 94 V 4.4007 7.2864 117.2995 60.6562 35.3863 174.2908 95 E 4.5471 8.5535 127.1874 55.3544 31.3326 175.1485 96 I 5.1793 8.1093 118.7614 59.5162 40.5844 174.1450 97 E 4.6614 9.4443 126.5431 54.5281 33.0528 174.6649 98 I 5.0209 8.5079 124.9661 59.7018 40.4124 175.1761 99 K 4.8118 9.0131 124.6567 56.0462 36.7708 174.2841 100 T 4.7563 8.2535 112.0803 62.2166 71.8343 175.0167 *101 V 3.9074 8.1804 117.6791 61.1608 32.4044 172.0320 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 K 8.31 4.35 0.00 1.86 1.94 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 4 I 7.85 4.50 1.87 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 1.11 1.01 0.94 0.00 0.00 5 R 8.81 5.80 0.00 1.99 1.79 0.00 3.08 0.00 0.00 3.43 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 6 I 8.31 5.04 1.87 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 1.46 0.80 0.91 0.00 0.00 7 K 9.11 4.74 0.00 1.73 1.73 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.53 7.81 8 L 8.37 5.53 0.00 1.58 1.55 0.92 0.85 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 9 R 8.22 4.48 0.00 1.74 1.91 0.00 3.19 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 10 G 8.57 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 0.00 0.00 0.00 0.00 11 F 8.55 4.91 0.00 2.98 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 12 D 7.84 4.70 0.00 2.73 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 13 H 8.62 4.59 0.00 3.40 3.73 0.00 5.53 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.90 4.28 0.00 2.10 1.90 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.48 7.81 15 T 7.67 4.63 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 1.22 0.00 0.00 16 L 7.29 4.91 0.00 1.81 1.76 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.26 4.85 0.00 2.75 2.67 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 18 A 8.73 4.70 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 19 S 7.76 4.55 0.00 4.10 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 20 A 7.76 4.13 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 21 Q 7.97 3.96 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 22 K 7.19 4.16 0.00 2.05 1.94 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 23 I 7.37 3.90 1.98 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 1.40 1.16 0.91 0.00 0.00 24 V 8.32 3.74 2.23 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 1.03 0.00 0.00 1.00 0.00 0.00 25 E 7.94 4.21 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 2.31 2.37 0.00 26 A 7.40 4.60 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 5.11 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 28 R 8.18 3.89 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 29 R 7.94 4.12 0.00 1.77 1.94 0.00 3.18 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 30 S 8.49 4.78 0.00 4.04 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 31 G 8.09 3.86 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 0.00 0.00 0.00 32 A 8.99 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 33 Q 8.31 4.37 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 34 V 8.05 4.80 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 0.80 0.00 0.00 0.93 0.00 0.00 35 S 8.24 4.67 0.00 3.85 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 36 G 8.86 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 37 P 0.00 4.72 0.00 1.95 2.06 0.00 3.68 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 2.02 2.08 0.00 38 I 9.20 4.09 1.87 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 1.44 0.91 0.91 0.00 0.00 39 P 0.00 4.93 0.00 2.10 2.13 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 40 L 8.02 4.66 0.00 1.71 1.70 0.93 1.02 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 41 P 0.00 4.17 0.00 2.06 2.07 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 2.15 0.00 42 T 8.13 4.68 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 1.25 0.00 0.00 43 R 8.52 4.52 0.00 1.75 1.87 0.00 3.26 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 44 V 8.28 4.71 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 1.02 0.00 0.00 0.90 0.00 0.00 45 R 7.53 4.64 0.00 1.64 1.79 0.00 3.51 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 46 R 7.58 4.47 0.00 1.63 1.82 0.00 3.13 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 47 F 7.51 4.96 0.00 3.02 3.21 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 48 T 8.50 4.92 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 1.05 0.00 0.00 49 V 8.10 4.56 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 0.92 0.00 0.00 0.93 0.00 0.00 50 I 8.32 3.75 1.86 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 1.33 0.96 0.88 0.00 0.00 51 R 8.34 3.47 0.00 1.91 1.89 0.00 3.19 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 52 G 8.21 4.08 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 0.00 0.00 0.00 53 P 0.00 4.36 0.00 2.27 2.24 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 F 7.85 4.57 0.00 2.86 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 55 K 7.19 4.35 0.00 1.59 1.22 0.00 1.12 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 1.15 7.81 56 H 8.38 4.97 0.00 3.20 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.03 3.87 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 58 D 8.62 4.90 0.00 2.45 2.52 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 0.00 0.00 0.00 0.00 59 S 7.29 3.61 0.00 4.04 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 0.00 60 R 7.58 5.06 0.00 1.64 2.03 0.00 3.17 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 61 E 8.61 4.63 0.00 1.87 1.53 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 1.65 2.15 0.00 62 H 8.75 5.02 0.00 3.05 3.23 0.00 5.54 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 63 F 8.57 5.32 0.00 3.03 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 64 E 8.62 4.67 0.00 1.75 1.68 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 2.07 2.00 0.00 65 L 8.01 4.29 0.00 1.58 1.42 0.31 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.16 4.18 0.00 1.80 1.94 0.00 3.12 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 67 T 8.43 4.78 4.55 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 1.30 0.00 0.00 68 H 9.08 4.66 0.00 3.26 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.85 5.26 0.00 2.62 2.70 0.00 0.00 6.57 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 70 R 8.42 4.75 0.00 1.96 1.74 0.00 3.14 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 71 L 8.42 5.26 0.00 1.70 1.65 0.97 1.00 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 72 V 8.33 4.65 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 1.04 0.00 0.00 0.93 0.00 0.00 73 D 8.82 5.85 0.00 2.69 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 74 I 8.28 4.14 1.87 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 1.40 0.60 0.91 0.00 0.00 75 I 7.93 4.15 1.87 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 1.25 0.59 0.91 0.00 0.00 76 N 9.53 4.18 0.00 2.68 2.83 0.00 0.00 6.87 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 77 P 0.00 4.53 0.00 2.21 2.08 0.00 3.83 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 1.98 1.99 0.00 78 N 8.19 4.50 0.00 2.73 2.82 0.00 0.00 7.12 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 79 R 8.30 4.43 0.00 1.78 1.95 0.00 3.36 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 80 K 7.97 4.45 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 81 T 7.54 4.44 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 82 I 7.82 4.04 1.87 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 1.30 0.80 0.91 0.00 0.00 83 E 8.54 4.20 0.00 1.93 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 2.20 2.24 0.00 84 Q 8.92 4.10 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 85 L 6.96 4.43 0.00 1.79 1.52 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.05 3.74 0.00 2.11 2.12 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 2.59 2.61 0.00 87 T 7.89 4.24 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 88 L 7.20 4.27 0.00 1.43 1.85 0.92 1.27 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 89 D 8.22 5.01 0.00 2.69 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 90 L 8.06 4.87 0.00 1.55 1.60 0.93 1.05 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 91 P 0.00 4.48 0.00 2.15 2.02 0.00 3.76 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 1.97 1.93 0.00 92 T 8.92 4.54 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 1.20 0.00 0.00 93 G 7.04 5.12 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 0.00 94 V 7.29 4.40 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 0.77 0.00 0.00 0.89 0.00 0.00 95 E 8.55 4.55 0.00 2.07 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 2.24 2.27 0.00 96 I 8.11 5.18 1.86 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 1.33 1.08 0.89 0.00 0.00 97 E 9.44 4.66 0.00 1.84 1.84 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 2.20 2.40 0.00 98 I 8.51 5.02 1.87 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 1.34 0.48 0.98 0.00 0.00 99 K 9.01 4.81 0.00 1.57 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.50 7.81 100 T 8.25 4.76 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 1.23 0.00 0.00 *101 V 8.18 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.