NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.7369 8.3033 117.8329 55.6162 29.5396 173.2378 -1 H 3.8827 8.4477 121.3670 58.7231 28.8187 175.1960 0 H 4.2186 8.3808 117.7146 59.0142 28.9402 177.1500 1 M 4.0392 8.0157 119.6021 58.6167 32.2259 177.7949 2 D 4.3450 8.1362 118.8757 57.4609 40.9928 178.7168 3 A 4.0187 8.2098 120.9634 54.9216 18.3025 179.4385 4 A 3.9627 8.2337 119.5784 55.4929 18.5108 180.1059 5 K 3.9874 8.2206 116.8779 59.5103 31.9635 179.4810 6 D 4.3592 8.2833 119.2965 57.4859 40.7152 178.2816 7 D 4.4396 8.2877 119.5072 57.4246 40.7939 178.7854 8 L 3.9850 8.1485 120.6633 58.2067 42.1159 178.6542 9 E 3.9608 8.3604 119.2582 59.3851 29.4656 178.0661 10 H 4.2112 8.6482 118.4493 59.4003 29.8773 176.8764 11 A 4.1130 8.4406 122.7411 55.4263 18.2304 179.8208 12 K 4.0395 8.3807 116.9441 59.6642 31.9329 179.2019 13 H 4.2097 8.5660 118.6701 59.4444 29.7907 177.0669 14 D 4.6663 8.5873 120.9827 57.3403 40.6897 178.4320 15 L 4.0773 8.4525 121.2589 58.3942 41.8860 178.7403 16 E 3.9454 8.0775 117.7890 58.9141 29.5724 177.4577 17 H 4.3891 7.5045 113.7131 54.8619 28.9847 175.8331 18 G 3.1796 7.4045 108.8645 45.9946 0.0000 175.8589 19 F 4.8158 7.4408 121.3401 56.3107 36.1537 175.8569 20 Y 4.4963 7.4017 120.5044 60.7556 38.2806 177.2478 21 N 4.3099 8.2995 117.6581 56.1284 37.1831 177.2279 22 W 4.4983 8.1825 120.7840 59.0291 29.2360 178.2736 23 A 4.1604 8.5090 121.0558 55.2475 17.8353 178.6985 24 C 4.2157 8.4475 116.9775 59.8535 38.4033 175.4988 25 F 4.3642 8.3327 122.0350 61.7614 38.9814 177.2418 26 S 4.1082 8.7111 114.9061 61.6657 62.4610 176.9341 27 S 4.1569 8.2311 117.8717 61.5950 62.5908 176.6127 28 Q 4.0501 8.0260 120.6587 59.2500 28.4674 179.0682 29 Q 3.9433 7.7598 118.2853 58.8588 28.6949 178.8243 30 A 3.9869 8.2589 121.6462 55.1362 18.4659 179.6167 31 A 3.9877 8.1746 119.2201 55.2524 18.4937 179.4304 32 E 4.1343 8.3333 117.1769 59.9571 29.6635 179.9999 33 K 3.9887 8.3610 118.0400 59.2223 31.8324 179.3677 34 A 3.9885 7.8235 120.3686 55.2527 18.7164 179.5953 35 V 3.7899 7.8595 116.7573 66.0906 31.5475 178.3116 36 K 3.7666 8.0197 118.0801 59.3302 31.7498 179.0144 37 A 4.0333 7.9974 121.0839 55.0054 17.9791 179.9728 38 V 3.4344 7.4600 115.9604 66.1654 31.9643 177.7450 39 F 4.1321 8.2862 117.0917 60.7509 38.5268 177.3463 40 Q 4.0459 8.2456 117.9982 58.9799 28.9724 179.6240 41 R 4.1799 7.7653 117.8196 56.2909 30.1417 176.8736 41 G 3.7999 7.8653 106.1196 45.3909 0.0000 175.4736 44 A 4.8003 7.8981 121.7675 49.6973 21.0933 177.4828 45 Q 3.7616 8.6210 121.8656 55.6624 29.7015 175.4008 46 A 3.6979 7.8021 128.0847 49.9171 19.5271 175.9422 47 W 4.4344 8.6989 123.1151 56.4592 30.1292 175.6320 48 G 3.3104 8.1269 108.2040 44.2907 0.0000 172.0604 49 Y 4.5429 7.7789 115.0281 58.9829 39.9944 177.6781 50 S 4.5345 7.4729 113.6651 57.1813 65.8489 175.2109 51 V 3.7231 8.1594 122.1693 65.8734 31.4005 176.4168 52 P 4.2390 0.0000 0.0000 65.6230 31.1968 178.1474 53 D 4.2858 7.9114 117.5509 57.5447 40.7140 178.9945 54 F 4.5391 7.6479 117.9649 60.7311 39.0792 177.8890 55 L 4.2930 8.6065 119.0968 57.6157 41.1315 179.8268 56 G 3.6816 8.1380 105.0700 47.9351 0.0000 175.2980 57 E 4.2828 8.3508 121.2304 59.1125 29.4779 179.2520 58 L 4.0235 8.6019 120.3924 58.1804 41.8845 179.0943 59 S 4.6732 8.1182 115.5880 60.6143 62.7715 176.2499 60 S 4.2947 7.8532 115.6095 60.0656 62.8794 174.7028 61 R 4.1028 7.7191 120.5374 56.5465 32.0674 175.3054 62 F 5.0164 7.9447 115.3161 55.0365 42.1137 173.9790 63 E 4.2918 8.9997 124.9507 56.1932 29.8224 175.9491 64 I 4.3764 8.1948 127.3053 58.7301 38.9339 174.4023 65 P 4.2851 0.0000 0.0000 62.4115 32.9721 176.8327 66 E 3.8748 8.7417 122.1681 59.5194 29.5415 179.1840 67 E 3.7471 7.9751 116.9760 59.2700 29.5590 179.0369 68 L 3.6917 7.5019 119.5376 57.5518 41.7131 178.8172 69 M 3.9542 7.6906 117.7954 58.5680 32.2836 177.8012 70 D 4.3016 8.1513 119.3067 57.9342 41.0265 178.6860 71 H 3.6674 7.9573 116.2179 58.6311 28.5736 177.7170 72 A 4.0393 8.0658 122.5666 55.2301 17.9675 179.7418 73 L 4.0186 7.7703 116.6241 57.8694 41.6686 179.2347 74 E 4.2002 8.1759 118.2840 59.4245 29.2015 179.3693 75 L 4.1331 8.0106 118.2228 57.5484 41.7530 178.6757 76 D 4.4895 7.9433 117.2803 55.8375 41.3767 176.7271 77 K 4.2003 7.0265 117.6578 55.5167 32.7410 176.5876 78 A 4.0046 8.4136 123.9948 52.8871 18.6663 178.7511 79 C 4.5359 8.5347 120.7660 55.4619 39.4993 173.0031 *86 D 4.2575 8.3434 123.9830 52.8790 40.8315 176.9558 87 A 4.1822 7.8098 120.2268 53.1357 18.9294 177.1298 88 L 4.2842 7.5008 116.3627 53.4302 42.5215 175.4162 89 P 4.3695 0.0000 0.0000 62.6785 32.4226 176.0050 90 S 4.0487 8.6979 119.3029 60.1513 63.5485 175.4483 91 G 3.9686 8.9336 106.8859 44.4906 0.0000 175.1699 92 S 4.1444 8.9812 113.4891 61.3736 62.7156 174.9556 93 P 4.2349 0.0000 0.0000 65.2227 31.1040 178.6073 94 R 3.8725 7.7663 117.4649 59.5724 29.9621 178.3065 95 N 4.4685 8.3322 116.3316 56.2621 38.5199 177.7134 96 R 3.8518 8.3560 119.8901 59.3272 30.2101 178.3789 97 Y 3.9195 7.9562 119.2507 60.9027 38.7194 178.4508 98 S 4.2096 8.4051 116.1853 61.4078 62.8795 176.6061 99 R 2.6348 7.5865 121.5583 59.0779 29.6943 178.6670 100 I 3.5215 7.4930 119.4918 64.1894 37.0789 178.0204 101 E 3.6644 7.9540 119.8624 59.1566 29.4429 178.7853 102 A 3.9917 8.0017 120.8863 55.1413 18.3745 179.3499 103 E 3.8415 8.1738 117.2181 59.4501 29.4513 179.4516 104 R 3.4742 7.9170 118.7698 59.4803 30.1035 178.6162 105 L 3.7515 7.6141 118.5147 57.4920 41.4657 179.7386 106 V 3.7862 7.7633 119.6224 65.5980 31.4392 177.7888 107 N 4.3306 8.2913 116.4681 56.5927 38.3673 176.9499 108 Y 4.3031 8.2646 118.2355 61.0854 37.9351 178.6277 109 A 4.0686 8.2404 121.6547 55.1250 18.4819 179.0921 110 E 3.9104 8.4692 118.1182 59.3959 29.5803 178.8922 111 K 3.9521 8.4856 119.8250 59.7120 32.1793 178.7815 112 I 3.7781 7.9783 119.8831 64.4313 36.9985 178.2581 113 I 3.7471 8.2247 121.0763 64.8223 36.9229 178.7586 114 R 4.2616 8.2579 120.0470 58.4061 29.7592 178.8929 115 F 4.0870 8.5526 120.7821 61.5987 39.4231 176.9412 116 C 3.9505 8.5541 116.6267 62.7496 27.7465 175.8776 117 E 3.8514 8.4830 120.4834 59.6227 28.8642 179.1920 118 D 4.3257 7.8801 117.4887 57.1924 41.1501 178.6249 119 L 3.7222 7.6302 119.6193 57.7978 41.4729 179.6949 120 L 3.8956 8.0104 119.0177 57.7439 41.2367 179.6755 121 S 4.0591 7.9366 114.0030 60.3618 62.8291 175.5881 122 R 4.4650 7.6842 118.7703 55.5955 31.1541 176.0254 123 I 4.0590 7.0710 116.6937 60.7773 37.6649 175.2644 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 H 8.30 4.74 0.00 3.18 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.45 3.88 0.00 3.15 3.28 0.00 5.63 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 0 H 8.38 4.22 0.00 3.25 3.55 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.02 4.04 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 2 D 8.14 4.34 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 3 A 8.21 4.02 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 4 A 8.23 3.96 1.52 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 0.00 0.00 5 K 8.22 3.99 0.00 1.98 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 6 D 8.28 4.36 0.00 2.87 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 7 D 8.29 4.44 0.00 2.90 2.94 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 8 L 8.15 3.98 0.00 1.90 1.89 0.97 0.80 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 9 E 8.36 3.96 0.00 2.26 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 0.00 2.33 2.40 0.00 10 H 8.65 4.21 0.00 3.39 3.49 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.44 4.11 1.54 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 0.00 0.00 12 K 8.38 4.04 0.00 2.04 1.93 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 13 H 8.57 4.21 0.00 3.38 3.61 0.00 5.59 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 14 D 8.59 4.67 0.00 3.08 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 15 L 8.45 4.08 0.00 1.95 1.94 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.08 3.95 0.00 1.97 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 1.98 2.22 0.00 17 H 7.50 4.39 0.00 2.53 2.43 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.40 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 0.00 0.00 0.00 19 F 7.44 4.82 0.00 3.32 3.08 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 20 Y 7.40 4.50 0.00 3.11 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 21 N 8.30 4.31 0.00 2.58 2.97 0.00 0.00 6.28 8.88 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 22 W 8.18 4.50 0.00 3.62 3.42 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 23 A 8.51 4.16 1.62 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 0.00 0.00 24 C 8.45 4.22 0.00 3.10 3.43 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 25 F 8.33 4.36 0.00 3.21 3.55 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 26 S 8.71 4.11 0.00 4.15 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 27 S 8.23 4.16 0.00 4.12 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 28 Q 8.03 4.05 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 29 Q 7.76 3.94 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 30 A 8.26 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.99 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 32 E 8.33 4.13 0.00 2.31 2.24 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 2.56 2.69 0.00 33 K 8.36 3.99 0.00 1.83 2.09 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.67 7.81 34 A 7.82 3.99 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 35 V 7.86 3.79 2.24 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 1.38 0.00 0.00 1.13 0.00 0.00 36 K 8.02 3.77 0.00 1.74 1.40 0.00 1.51 0.00 0.00 1.32 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.58 0.96 7.81 37 A 8.00 4.03 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 38 V 7.46 3.43 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 0.65 0.00 0.00 0.85 0.00 0.00 39 F 8.29 4.13 0.00 3.20 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 40 Q 8.25 4.05 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.63 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 41 R 7.77 4.18 0.00 1.90 2.07 0.00 3.40 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 41 G 7.87 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 44 A 7.90 4.80 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 45 Q 8.62 3.76 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 46 A 7.80 3.70 0.12 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 47 W 8.70 4.43 0.00 3.48 3.09 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 48 G 8.13 3.31 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 0.00 49 Y 7.78 4.54 0.00 2.94 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 50 S 7.47 4.53 0.00 4.20 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 V 8.16 3.72 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 1.25 0.00 0.00 1.06 0.00 0.00 52 P 0.00 4.24 0.00 2.17 2.09 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 53 D 7.91 4.29 0.00 2.32 2.56 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 0.00 0.00 0.00 54 F 7.65 4.54 0.00 3.21 3.10 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 55 L 8.61 4.29 0.00 1.75 1.78 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.14 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 0.00 0.00 0.00 57 E 8.35 4.28 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 58 L 8.60 4.02 0.00 2.16 1.97 0.61 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.12 4.67 0.00 4.17 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 60 S 7.85 4.29 0.00 3.99 4.02 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 61 R 7.72 4.10 0.00 1.42 1.44 0.00 2.92 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 62 F 7.94 5.02 0.00 3.15 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 63 E 9.00 4.29 0.00 1.98 1.98 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 2.34 2.46 0.00 64 I 8.19 4.38 1.87 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.75 0.00 0.00 65 P 0.00 4.29 0.00 1.96 1.89 0.00 2.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.13 0.00 66 E 8.74 3.87 0.00 1.98 1.89 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 2.32 2.33 0.00 67 E 7.98 3.75 0.00 2.02 2.07 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 2.20 2.16 0.00 68 L 7.50 3.69 0.00 1.54 1.49 -0.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 M 7.69 3.95 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 70 D 8.15 4.30 0.00 2.75 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 71 H 7.96 3.67 0.00 3.02 2.83 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.07 4.04 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 73 L 7.77 4.02 0.00 1.78 1.75 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.18 4.20 0.00 2.43 2.20 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 2.54 2.70 0.00 75 L 8.01 4.13 0.00 1.88 1.80 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.94 4.49 0.00 2.83 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 77 K 7.03 4.20 0.00 1.96 1.76 0.00 1.97 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.56 7.81 78 A 8.41 4.00 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 79 C 8.53 4.54 0.00 2.99 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 *86 D 8.34 4.26 0.00 2.76 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 87 A 7.81 4.18 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 88 L 7.50 4.28 0.00 1.45 1.57 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.37 0.00 2.07 1.97 0.00 3.62 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 2.11 2.12 0.00 90 S 8.70 4.05 0.00 3.75 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 91 G 8.93 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 92 S 8.98 4.14 0.00 4.07 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 0.00 93 P 0.00 4.23 0.00 2.36 2.15 0.00 3.67 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 2.12 2.15 0.00 94 R 7.77 3.87 0.00 1.96 1.93 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 95 N 8.33 4.47 0.00 2.85 2.99 0.00 0.00 7.07 6.94 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 96 R 8.36 3.85 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 97 Y 7.96 3.92 0.00 3.17 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 98 S 8.41 4.21 0.00 3.88 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 99 R 7.59 2.63 0.00 1.39 1.86 0.00 3.00 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 100 I 7.49 3.52 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.73 0.00 0.00 101 E 7.95 3.66 0.00 1.83 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 2.27 2.25 0.00 102 A 8.00 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.84 0.00 2.14 1.92 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 2.30 2.28 0.00 104 R 7.92 3.47 0.00 1.77 1.75 0.00 3.06 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.13 0.00 105 L 7.61 3.75 0.00 1.70 1.70 0.94 0.61 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 0.00 106 V 7.76 3.79 2.20 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 1.46 0.00 0.00 1.02 0.00 0.00 107 N 8.29 4.33 0.00 2.81 2.88 0.00 0.00 7.08 8.29 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 0.00 108 Y 8.26 4.30 0.00 3.08 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 0.00 109 A 8.24 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.91 0.00 2.16 2.19 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 2.35 2.37 0.00 111 K 8.49 3.95 0.00 2.15 2.04 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.56 7.81 112 I 7.98 3.78 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 1.01 0.00 0.00 113 I 8.22 3.75 2.07 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 1.57 0.85 0.94 0.00 0.00 114 R 8.26 4.26 0.00 2.04 2.01 0.00 3.18 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 115 F 8.55 4.09 0.00 3.17 3.24 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 0.00 116 C 8.55 3.95 0.00 3.16 2.94 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 0.00 117 E 8.48 3.85 0.00 2.11 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 2.28 2.47 0.00 118 D 7.88 4.33 0.00 2.53 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 0.00 119 L 7.63 3.72 0.00 1.39 1.23 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.01 3.90 0.00 1.61 1.54 0.78 0.77 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 0.00 121 S 7.94 4.06 0.00 3.92 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 0.00 122 R 7.68 4.46 0.00 1.76 1.87 0.00 3.11 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 123 I 7.07 4.06 1.89 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.