NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.2610 8.1744 117.2541 63.1803 70.5134 174.2335 -4 E 5.1733 7.8367 119.0857 55.9359 31.5869 174.9061 -3 F 4.4399 8.3994 112.8473 57.1575 38.6166 174.5851 -2 K 4.0810 9.0520 119.7218 55.6056 31.8804 177.1459 -1 A 2.0000 5.8000 124.9847 51.0953 18.7042 178.4314 -4 G 4.7833 7.7467 107.6857 44.4359 0.0000 173.2061 -3 S 4.2899 8.4094 108.2473 57.7575 62.8166 173.3851 -2 A 4.0810 9.0020 123.1218 51.9056 17.8804 178.3459 -1 K 2.0000 5.6600 121.5847 54.7953 32.7042 177.2314 5 K 4.3170 8.5416 111.8270 55.6394 31.9167 177.4180 6 G 3.5514 7.7085 109.7032 47.6160 0.0000 173.3365 7 A 3.6917 7.5953 122.9114 55.2936 18.2674 179.6930 8 T 3.9308 7.6839 111.7213 66.5285 68.6014 175.2720 9 L 4.0949 8.0746 124.0794 55.6123 41.8019 178.2369 10 F 3.9703 7.6387 120.2890 62.2726 40.0839 177.1925 11 K 3.7322 8.1295 114.9667 59.4552 32.5398 176.2072 12 T 4.7437 7.5182 112.1283 60.6004 69.1794 175.0957 13 R 4.8475 7.7773 118.7823 58.3701 37.2458 176.2422 14 C 4.4550 7.8250 112.7686 60.9260 30.3758 175.6687 15 L 5.2185 9.3158 122.0886 57.5660 41.6669 178.8660 16 Q 3.8359 7.5537 114.5533 58.6353 28.6700 177.0044 17 C 4.5468 9.6160 115.1080 60.9935 30.3446 173.4474 18 H 5.1871 7.4257 114.9280 54.1624 29.7005 173.5899 19 T 4.5055 8.1122 110.0114 60.4188 69.9912 174.8980 20 V 3.8176 8.3282 127.9450 64.0866 31.5746 176.2789 21 E 4.0680 7.8102 117.3208 56.2986 29.7696 176.6681 22 K 4.2268 8.5310 118.4193 58.8045 32.6713 178.5807 23 G 3.6891 8.3696 106.0906 48.1000 0.0000 172.2382 24 G 4.2131 8.0007 109.0528 44.5569 0.0000 172.2517 25 P 4.0647 0.0000 0.0000 63.2168 31.9368 175.7900 26 H 4.5691 7.7719 117.2168 56.3302 30.1356 172.0771 27 K 4.3601 8.5092 118.3414 56.8937 33.1714 177.2953 28 V 3.8912 5.4500 128.2003 64.8672 32.3927 174.8504 29 G 3.9906 7.3953 107.1501 42.6119 0.0000 169.7384 30 P 3.6610 0.0000 0.0000 61.4217 32.1222 175.5487 31 N 4.5454 8.4278 117.4659 53.6282 39.3975 174.2265 32 L 4.1491 7.9420 124.4247 56.4206 43.3986 177.4300 33 H 4.6701 7.3198 118.3020 56.7420 29.1158 176.0246 34 G 4.7054 8.6424 101.3735 45.3948 0.0000 174.4669 35 I 3.8447 6.7316 114.8641 58.6886 37.3028 176.2455 36 F 3.9692 9.6288 122.8407 61.5980 36.6516 173.7577 37 G 4.0083 9.1770 116.4955 45.9043 0.0000 173.6340 38 R 4.2635 7.9712 118.6005 55.2946 31.5580 174.7550 39 H 4.6061 8.4862 116.5928 55.2911 29.4080 176.1968 40 S 3.2566 7.5626 121.4705 59.3257 64.6582 171.5319 41 G 4.2189 7.7778 109.3401 46.0616 0.0000 173.1170 42 Q 4.4281 8.2985 117.8803 55.1812 30.5207 174.5794 43 A 4.6868 7.4085 120.1604 50.5684 21.5390 176.3128 44 E 4.3609 8.9357 122.2447 58.0573 31.0476 177.6322 45 G 3.9198 8.3422 106.2547 48.5050 0.0000 172.9438 46 Y 4.2767 7.8576 120.2705 55.7515 39.6993 174.8024 47 S 4.3206 8.1140 122.0582 58.7411 63.6267 173.3589 48 Y 4.7049 8.6088 125.0817 56.8346 38.8738 174.7666 49 T 4.6283 8.3507 109.5398 61.3685 70.8329 173.9951 50 D 4.9504 8.5843 120.6073 54.5098 41.5173 176.6212 51 A 4.5028 7.9123 121.0889 53.9560 20.7262 178.3742 52 N 4.4494 7.5994 114.4352 56.1996 38.5311 176.7068 53 I 3.7279 7.8771 118.2258 64.5376 37.9138 176.9238 54 K 4.5723 7.2847 118.2488 56.1356 30.8445 177.1555 55 K 4.2200 7.8662 119.1475 57.4982 35.7848 176.8449 56 N 3.9860 7.6026 114.1794 54.2162 37.6519 174.5917 57 V 3.4953 6.5670 115.1223 60.7419 30.9679 173.4481 58 L 3.9947 8.0621 128.8278 55.5860 42.3973 176.5590 59 W 4.6122 8.5064 126.7974 57.6625 30.0255 174.9959 60 D 4.6671 9.1584 123.2980 53.9458 47.3800 174.9404 61 E 4.1348 6.8543 123.0267 55.6229 37.4300 177.2029 62 N 4.1170 7.8909 115.2293 56.9490 39.2332 176.1469 63 N 4.0688 8.3779 116.6773 57.3111 38.8549 175.8061 64 M 4.1977 8.3670 118.2718 59.2870 32.5307 178.4393 65 S 4.1859 8.2084 113.1374 61.4276 62.2552 175.8221 66 E 3.8852 8.8848 120.6667 59.2146 28.5700 178.3365 67 Y 4.2483 7.7760 119.2684 59.7027 39.1421 177.0282 68 L 3.7427 8.2471 119.2448 58.4491 42.0324 179.5360 69 T 4.1692 8.2459 115.3143 65.4516 69.6084 174.0681 70 N 5.5497 7.5284 119.2010 50.8770 38.7372 173.7112 71 P 4.3203 0.0000 0.0000 61.9181 31.3196 179.6565 *73 K 4.2373 7.7773 119.5969 57.4562 34.1631 175.5362 74 Y 4.3378 8.1857 120.3851 60.6904 38.7968 177.2159 75 I 4.1094 7.7456 122.0271 59.5357 37.1591 174.9068 76 P 4.3977 0.0000 0.0000 63.1723 30.0365 176.5988 77 G 4.0664 8.6033 120.1960 46.7995 0.0000 172.2558 78 T 4.4520 7.6704 113.0453 60.2779 68.1431 175.0769 79 K 4.1538 8.6667 128.9211 58.4417 32.2581 177.1815 80 M 4.1065 7.4601 116.9738 55.9371 30.8870 175.8507 81 A 4.3910 8.1483 131.7214 50.8023 17.3918 176.0246 82 F 4.6670 8.2193 124.2883 59.6115 41.0661 176.1901 83 G 4.2086 7.9727 113.5405 46.4942 0.0000 171.8391 84 G 4.1261 6.7021 104.0965 42.5205 0.0000 173.8197 85 L 3.8781 8.6451 124.9276 55.7105 41.9921 178.1670 86 K 3.8994 7.4821 111.3582 57.4100 32.3489 175.8887 87 K 4.5916 7.4111 117.0743 53.7459 32.4792 176.5069 88 E 3.9655 8.3396 122.1155 59.6957 29.2492 178.3566 89 K 4.0412 8.2951 117.5224 60.2367 31.7019 178.5317 90 D 4.5865 8.4393 118.1434 57.6699 40.8300 178.9155 91 R 4.1297 8.2212 118.0457 59.8564 30.0802 178.4823 92 N 4.6374 9.1541 116.8882 56.4899 38.4931 177.0795 93 D 4.6022 7.8788 119.0269 57.4456 40.5737 177.4137 94 L 4.0540 9.3308 119.0656 59.2631 41.8253 178.8552 95 I 3.6297 7.9550 118.4052 65.2601 37.4148 178.5406 96 T 4.0456 7.3793 113.6964 66.8696 68.6250 175.2653 97 Y 4.4355 8.6076 119.5208 59.5174 38.0797 176.9980 98 L 3.3798 7.4180 122.7492 57.9127 41.8094 178.7164 99 K 4.1934 8.2428 118.3765 59.7910 32.2232 178.1737 100 K 4.1006 8.7229 119.5765 59.4694 32.0615 178.4894 101 A 4.0775 8.2425 119.3847 55.6753 18.5710 179.4178 102 S 4.5064 9.5863 115.1312 59.9619 62.6491 174.2999 103 E 4.2901 8.3882 127.0189 56.1408 29.5904 175.1285 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 -5 T 8.17 4.26 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 1.13 0.00 0.00 -4 E 7.84 5.17 0.00 1.96 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 0.00 2.22 2.32 0.00 -3 F 8.40 4.44 0.00 3.38 2.98 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 -2 K 9.05 4.08 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.37 7.81 -1 A 5.80 2.00 0.97 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 -4 G 7.75 4.78 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 0.00 0.00 0.00 -3 S 8.41 4.29 0.00 4.13 3.81 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 -2 A 9.00 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 5.66 2.00 0.00 1.40 1.22 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.32 7.81 5 K 8.54 4.32 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.38 7.81 6 G 7.71 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 0.00 0.00 0.00 7 A 7.60 3.69 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 8 T 7.68 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 1.20 0.00 0.00 9 L 8.07 4.09 0.00 1.83 1.52 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.64 3.97 0.00 3.09 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 11 K 8.13 3.73 0.00 2.04 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.49 7.81 12 T 7.52 4.74 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 1.23 0.00 0.00 13 R 7.78 4.85 0.00 1.89 2.02 0.00 3.43 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 14 C 7.83 4.46 0.00 1.41 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 0.00 0.00 0.00 0.00 15 L 9.32 5.22 0.00 2.10 1.97 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.55 3.84 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 17 C 9.62 4.55 0.00 2.83 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 18 H 7.43 5.19 0.00 3.07 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.11 4.51 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 20 V 8.33 3.82 1.91 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 0.35 0.00 0.00 0.88 0.00 0.00 21 E 7.81 4.07 0.00 2.02 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 2.20 2.25 0.00 22 K 8.53 4.23 0.00 1.97 1.87 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.56 7.81 23 G 8.37 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.00 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 25 P 0.00 4.06 0.00 2.23 2.20 0.00 3.77 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 2.00 1.99 0.00 26 H 7.77 4.57 0.00 3.60 3.63 0.00 5.59 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 27 K 8.51 4.36 0.00 1.91 1.55 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.37 7.81 28 V 5.45 3.89 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 0.68 0.00 0.00 0.94 0.00 0.00 29 G 7.40 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 0.00 0.00 0.00 30 P 0.00 3.66 0.00 2.06 1.19 0.00 3.54 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.00 31 N 8.43 4.55 0.00 2.79 2.83 0.00 0.00 6.99 7.81 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 32 L 7.94 4.15 0.00 1.72 1.42 0.54 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.32 4.67 0.00 3.32 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.64 4.71 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 0.00 0.00 0.00 35 I 6.73 3.84 1.52 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.73 0.00 0.00 36 F 9.63 3.97 0.00 3.21 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 37 G 9.18 4.01 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 0.00 38 R 7.97 4.26 0.00 2.00 1.92 0.00 3.29 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 39 H 8.49 4.61 0.00 3.04 3.21 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.56 3.26 0.00 4.23 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 41 G 7.78 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 0.00 0.00 0.00 0.00 42 Q 8.30 4.43 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 43 A 7.41 4.69 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 44 E 8.94 4.36 0.00 1.94 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 2.16 2.19 0.00 45 G 8.34 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 0.00 0.00 0.00 46 Y 7.86 4.28 0.00 2.81 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 47 S 8.11 4.32 0.00 4.01 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 48 Y 8.61 4.70 0.00 2.96 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 49 T 8.35 4.63 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 1.24 0.00 0.00 50 D 8.58 4.95 0.00 2.70 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 51 A 7.91 4.50 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 52 N 7.60 4.45 0.00 2.82 2.96 0.00 0.00 7.39 8.69 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 53 I 7.88 3.73 2.12 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.89 0.00 0.00 54 K 7.28 4.57 0.00 2.03 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.64 7.81 55 K 7.87 4.22 0.00 1.98 1.60 0.00 1.50 0.00 0.00 1.28 0.00 0.00 2.66 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.15 1.22 7.81 56 N 7.60 3.99 0.00 2.96 2.80 0.00 0.00 7.25 7.50 0.00 0.00 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 V 6.57 3.50 1.86 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 -1.19 0.00 0.00 0.84 0.00 0.00 58 L 8.06 3.99 0.00 1.47 1.54 0.35 1.02 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 59 W 8.51 4.61 0.00 3.39 3.06 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 60 D 9.16 4.67 0.00 2.61 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 61 E 6.85 4.13 0.00 1.49 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 1.54 1.63 0.00 62 N 7.89 4.12 0.00 2.70 2.80 0.00 0.00 6.35 6.84 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 63 N 8.38 4.07 0.00 2.84 2.92 0.00 0.00 6.96 6.98 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 64 M 8.37 4.20 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 65 S 8.21 4.19 0.00 4.07 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 66 E 8.88 3.89 0.00 2.13 2.35 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 1.91 2.25 0.00 67 Y 7.78 4.25 0.00 3.24 3.37 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 68 L 8.25 3.74 0.00 1.73 1.67 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.25 4.17 4.46 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 0.00 0.00 1.22 0.00 0.00 70 N 7.53 5.55 0.00 2.74 2.76 0.00 0.00 6.95 7.93 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 71 P 0.00 4.32 0.00 1.70 0.49 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.76 0.00 *73 K 7.78 4.24 0.00 1.80 1.95 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.59 7.81 74 Y 8.19 4.34 0.00 3.09 3.29 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 75 I 7.75 4.11 2.45 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 2.04 1.22 1.04 0.00 0.00 76 P 0.00 4.40 0.00 2.18 2.09 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 77 G 8.60 4.07 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 0.00 0.00 0.00 78 T 7.67 4.45 4.65 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 1.39 0.00 0.00 79 K 8.67 4.15 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 80 M 7.46 4.11 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 81 A 8.15 4.39 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 82 F 8.22 4.67 0.00 2.77 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 83 G 7.97 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 84 G 6.70 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 85 L 8.65 3.88 0.00 1.80 1.76 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.48 3.90 0.00 1.97 1.88 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.35 7.81 87 K 7.41 4.59 0.00 1.77 1.73 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.51 7.81 88 E 8.34 3.97 0.00 2.03 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 2.46 2.49 0.00 89 K 8.30 4.04 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 90 D 8.44 4.59 0.00 2.97 2.80 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 91 R 8.22 4.13 0.00 2.01 2.08 0.00 3.18 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 92 N 9.15 4.64 0.00 2.99 2.80 0.00 0.00 7.60 8.03 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 93 D 7.88 4.60 0.00 3.00 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 0.00 94 L 9.33 4.05 0.00 1.80 1.67 0.77 1.23 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 95 I 7.95 3.63 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 1.59 0.19 0.56 0.00 0.00 96 T 7.38 4.05 4.59 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 97 Y 8.61 4.44 0.00 3.18 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 98 L 7.42 3.38 0.00 1.15 1.78 0.91 0.44 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 99 K 8.24 4.19 0.00 1.49 1.83 0.00 1.75 0.00 0.00 1.45 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.50 7.81 100 K 8.72 4.10 0.00 1.90 2.06 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 101 A 8.24 4.08 1.51 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 0.00 0.00 102 S 9.59 4.51 0.00 4.05 4.14 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 0.00 103 E 8.39 4.29 0.00 1.96 1.85 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 2.24 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.