NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6659 8.1933 115.3939 57.7048 64.5744 174.4978 2 L 4.2220 8.3706 121.0220 56.1277 41.3308 175.1050 3 V 3.7737 8.6758 120.3875 64.8726 31.8148 178.1040 4 Q 4.0824 7.7953 117.5066 58.5544 28.5271 178.2402 5 F 4.5695 8.4980 121.8522 61.4828 39.4521 176.7368 6 E 3.7670 8.3680 118.9058 59.5374 29.3986 178.9571 7 T 3.8982 7.8289 115.5420 66.6935 68.5633 176.6680 8 L 3.9497 8.2865 121.1812 57.7318 41.5390 179.6402 9 I 3.6529 7.7231 119.7905 64.6432 37.0570 178.2344 10 M 4.5077 7.9323 120.2804 57.7664 31.7561 178.5812 11 K 3.9420 7.8218 118.1788 59.3177 32.4102 179.2539 12 V 3.7181 7.9701 116.9728 65.8181 31.7857 177.0643 13 A 4.1180 8.0330 119.2249 52.3625 19.0560 177.3166 14 K 4.5249 7.6070 113.6708 56.7539 29.7579 175.3378 *16 K 4.0768 7.6280 115.1784 56.1037 33.3606 175.0236 17 S 4.8085 7.5896 114.7238 57.3212 63.3549 175.0401 18 G 3.7230 8.8741 116.9692 48.1803 0.0000 175.0063 19 M 4.1794 8.0733 119.6831 58.3536 32.3454 177.5257 20 Q 4.3313 7.9874 117.9980 57.0956 29.5751 176.0586 21 W 4.6414 8.4495 117.5360 56.8073 30.9292 175.9777 22 Y 4.9685 8.5551 114.3924 57.5872 38.2253 176.3490 23 S 4.5944 8.5501 115.5620 59.7580 64.5889 174.0590 24 N 4.7346 7.0506 119.6262 52.6345 39.3142 172.6631 25 Y 4.6107 8.1289 121.1233 56.5588 41.8553 175.8049 26 G 3.6414 8.0100 116.3514 46.5554 0.0000 172.8501 27 C 4.4078 8.9394 114.2676 58.5373 40.8895 174.5668 28 Y 4.1615 8.6160 115.1605 58.0160 39.5285 175.2578 29 C 4.5579 8.3462 117.8576 59.7010 39.3063 173.1391 30 G 4.4347 8.6144 110.4899 43.1511 0.0000 171.1916 31 W 3.9342 8.5765 130.7551 58.2761 31.2888 177.4305 32 G 3.8539 7.8365 114.6689 46.9524 0.0000 172.7182 33 G 4.0679 7.8279 111.8029 45.4483 0.0000 171.2517 34 Q 4.4565 7.1923 117.1899 55.8517 31.9502 175.7908 35 G 3.8328 8.8966 106.4997 45.2480 0.0000 172.5030 36 R 4.6237 8.2974 118.2231 53.9994 31.5900 174.5696 37 P 4.6293 0.0000 0.0000 62.8545 31.8173 176.8548 38 Q 4.0600 9.7456 123.8173 58.3991 29.1183 175.2247 39 D 4.4483 7.2593 114.6169 51.2851 42.0059 174.7504 40 A 3.9772 8.8428 119.7362 56.2322 18.3500 179.8057 41 T 3.9734 7.9809 113.3416 67.0179 68.5263 176.0705 42 D 4.5121 9.0178 120.1553 57.5222 41.1555 178.3446 43 R 3.9220 8.3752 119.3642 59.3692 30.0141 177.7368 44 C 4.1876 8.2278 116.6029 60.3266 40.0206 175.5518 45 C 4.3804 8.3263 117.5392 59.8138 40.9381 175.7095 46 F 3.8308 8.3660 122.4728 61.4388 38.8206 177.3759 47 V 3.1813 8.0874 118.0098 66.0551 31.2267 177.4470 48 H 3.7989 7.9603 117.9925 59.0999 29.6461 176.9752 49 D 4.0458 8.0770 120.9271 57.5864 40.4386 178.1919 50 C 4.0576 7.5607 115.6863 59.8550 34.4901 175.1244 51 C 4.2631 8.0178 120.2641 59.9038 41.3958 175.2573 52 Y 4.1625 8.0082 118.5079 61.0455 37.2234 178.8125 53 G 3.7567 8.2504 107.7499 47.3501 0.0000 175.3861 54 K 4.4903 7.3738 123.1760 55.5507 32.3462 181.6630 55 V 3.9921 7.1657 119.6592 63.3222 31.9183 175.2383 56 T 4.4185 8.2629 117.2623 59.8294 70.9728 174.8888 *59 G 4.3425 8.8298 113.4546 45.4179 0.0000 170.9512 *61 C 4.7803 7.6130 112.8507 55.2209 43.3827 171.9255 *67 D 4.7636 8.0632 116.5846 53.4877 40.6652 173.8495 68 P 3.8801 0.0000 0.0000 65.0717 31.8977 178.1620 69 K 4.2719 8.5949 119.5756 58.9467 32.3093 178.1200 70 M 4.4819 7.5784 114.5259 55.7549 33.5689 176.4007 71 D 4.4662 8.1319 119.1228 53.9807 41.5163 175.6860 72 V 4.1731 8.2308 123.2504 61.4331 32.6394 174.7287 73 Y 4.8703 7.9153 125.2923 55.2638 40.5138 174.5607 74 S 5.1625 8.4978 114.0110 56.8396 66.1009 172.8660 75 F 5.5976 8.0684 115.2963 56.1020 40.9695 172.6948 76 S 4.7790 9.4382 113.8152 56.9433 67.2234 172.3167 77 E 5.4683 8.8246 121.4354 54.5757 31.3920 176.4255 78 E 4.6964 8.5944 119.2130 55.4493 33.7978 170.8221 79 N 4.0826 9.8037 115.7514 54.1845 36.3782 174.3752 80 G 3.8267 8.5906 102.1438 46.4302 0.0000 173.1851 81 D 4.6477 8.0103 117.5440 52.7540 44.8655 172.8495 82 I 4.7016 8.1658 121.2963 59.6099 38.7171 175.7323 83 V 4.2855 9.1596 128.4063 61.2129 33.1630 174.0210 84 C 4.8863 8.8696 126.5515 56.8905 40.5446 173.4113 85 G 3.7896 9.2442 113.7968 47.2215 0.0000 171.9205 86 G 3.9450 8.8833 108.5499 45.2350 0.0000 173.2895 *88 D 4.8505 8.1036 115.0332 52.5465 40.9876 175.2439 89 D 4.7814 7.6266 120.1443 52.0950 42.8195 174.3079 90 P 4.2581 0.0000 0.0000 66.0725 31.1445 178.8665 91 C 4.2323 8.4269 118.1856 59.5567 39.7559 175.7878 92 K 3.9229 8.2601 119.5756 59.1766 31.6539 179.1409 93 K 3.9351 8.0976 120.2376 59.2599 32.0836 178.5364 94 E 3.8568 7.9762 119.5440 59.1160 29.5530 178.8617 95 I 3.5667 7.4072 119.5859 64.4398 37.1624 177.5398 96 C 3.0087 7.6509 119.1867 59.2547 43.3804 175.4418 97 E 3.7911 8.0816 120.1706 59.3865 28.9995 178.6295 98 C 4.1323 7.9509 116.4098 60.2352 41.4640 175.9955 99 D 3.9233 7.8422 120.1912 57.1271 40.3749 178.8327 100 R 3.7727 8.2890 119.3912 59.3759 30.1098 178.3816 101 A 3.8612 8.1258 120.5372 55.1025 18.2643 179.5032 102 A 3.4474 7.8226 118.9684 54.8734 18.3775 179.6837 103 A 3.8496 7.9860 119.2600 55.4212 18.5099 179.9682 104 I 3.6001 7.5725 118.2998 64.5528 36.9178 177.7911 105 C 4.1836 7.7877 118.2657 59.6710 39.0926 175.4034 106 F 4.5382 7.8403 119.4589 60.5140 38.0863 177.5650 107 R 3.9365 8.0227 118.3006 59.7124 29.7706 178.2720 108 D 4.5754 8.5408 116.7109 56.0355 40.8717 176.7908 109 N 5.1164 7.6264 116.8787 52.8868 39.4574 176.5974 110 L 4.3105 7.9053 121.7222 57.4922 41.8970 179.2818 111 N 4.4420 8.4377 115.7097 55.2579 37.1196 175.5722 112 T 4.5512 7.6242 105.6838 60.8728 69.4484 173.6084 113 Y 4.1656 7.8275 123.9716 58.5740 39.2483 175.9661 114 N 4.9684 9.2562 125.8059 51.4652 39.5685 173.9673 115 D 4.4419 8.2788 123.5032 55.5165 40.2184 179.7039 116 K 3.8606 8.0906 118.5014 58.7170 32.2928 177.6378 117 K 3.9750 7.7599 118.3734 57.8208 32.6364 176.6990 118 Y 4.2166 7.2640 114.5111 57.3752 38.6539 175.4057 119 W 4.1355 8.1415 130.8655 58.2888 31.7172 175.5909 120 A 3.5655 7.5015 127.9745 52.9923 15.9632 177.1659 121 F 4.3060 7.9340 123.7637 59.5352 40.1239 176.1810 122 G 3.8639 8.2006 106.3038 45.4270 0.0000 174.1431 123 A 4.0089 8.6499 127.1065 55.3509 18.8042 180.7347 *124 K 4.1383 7.9899 116.2646 57.7451 31.7643 180.0579 125 N 4.5139 7.5015 112.6602 54.8470 39.1605 174.5480 126 C 5.1101 8.0345 115.2201 54.4001 40.3481 172.4725 127 P 4.3956 0.0000 0.0000 62.7222 32.3998 178.1580 128 Q 4.0488 8.7352 122.9571 59.1510 29.2098 177.9751 129 E 4.1564 8.1757 115.7598 58.2694 29.6926 177.0671 130 E 4.5022 7.8241 117.1842 55.9389 29.7100 175.7853 131 S 4.8902 7.7351 115.7498 58.1104 63.0960 173.9038 132 E 4.2289 8.7831 127.4509 55.3823 29.9465 174.6205 133 P 4.6792 0.0000 0.0000 62.3284 32.8204 176.9847 134 C 4.4161 8.6914 117.9095 57.4826 41.1324 173.6719 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 1 S 8.19 4.67 0.00 4.05 4.05 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 0.00 0.00 0.00 2 L 8.37 4.22 0.00 1.90 2.03 1.31 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.68 3.77 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 0.85 0.00 0.00 0.97 0.00 0.00 4 Q 7.80 4.08 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 5 F 8.50 4.57 0.00 3.41 3.40 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 6 E 8.37 3.77 0.00 2.16 2.18 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 2.33 2.39 0.00 7 T 7.83 3.90 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 1.34 0.00 0.00 8 L 8.29 3.95 0.00 1.90 1.68 0.79 0.38 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 9 I 7.72 3.65 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.33 0.89 0.00 0.00 10 M 7.93 4.51 0.00 2.03 2.16 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 2.55 2.62 0.00 11 K 7.82 3.94 0.00 1.99 1.86 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.57 7.81 12 V 7.97 3.72 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 0.78 0.00 0.00 0.91 0.00 0.00 13 A 8.03 4.12 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 14 K 7.61 4.52 0.00 1.88 1.79 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 *16 K 7.63 4.08 0.00 1.46 0.74 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.66 7.81 17 S 7.59 4.81 0.00 3.83 3.71 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 18 G 8.87 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 19 M 8.07 4.18 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 20 Q 7.99 4.33 0.00 2.16 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 21 W 8.45 4.64 0.00 2.57 2.32 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 22 Y 8.56 4.97 0.00 2.87 2.65 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 0.00 23 S 8.55 4.59 0.00 4.18 4.36 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 24 N 7.05 4.73 0.00 2.48 1.42 0.00 0.00 6.66 7.56 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 25 Y 8.13 4.61 0.00 3.04 2.73 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 26 G 8.01 3.64 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 0.00 27 C 8.94 4.41 0.00 2.90 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 28 Y 8.62 4.16 0.00 3.33 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 29 C 8.35 4.56 0.00 3.43 3.49 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 30 G 8.61 4.43 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 0.00 31 W 8.58 3.93 0.00 3.50 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 32 G 7.84 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 0.00 0.00 0.00 33 G 7.83 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 34 Q 7.19 4.46 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.11 2.43 0.00 35 G 8.90 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 36 R 8.30 4.62 0.00 1.83 1.83 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 37 P 0.00 4.63 0.00 1.84 1.85 0.00 3.44 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.08 0.00 38 Q 9.75 4.06 0.00 1.28 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.44 1.70 0.00 39 D 7.26 4.45 0.00 2.74 2.41 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 40 A 8.84 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.97 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 1.05 0.00 0.00 42 D 9.02 4.51 0.00 2.86 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 43 R 8.38 3.92 0.00 1.88 2.06 0.00 3.15 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 44 C 8.23 4.19 0.00 3.41 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 45 C 8.33 4.38 0.00 3.40 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 3.83 0.00 2.52 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 47 V 8.09 3.18 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 0.87 0.00 0.00 0.99 0.00 0.00 48 H 7.96 3.80 0.00 3.10 3.25 0.00 5.65 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 49 D 8.08 4.05 0.00 2.70 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 50 C 7.56 4.06 0.00 2.71 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 51 C 8.02 4.26 0.00 2.98 3.03 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 52 Y 8.01 4.16 0.00 2.91 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 53 G 8.25 3.76 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 0.00 0.00 0.00 54 K 7.37 4.49 0.00 1.88 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.29 7.81 55 V 7.17 3.99 2.06 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 0.84 0.00 0.00 0.91 0.00 0.00 56 T 8.26 4.42 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 1.19 0.00 0.00 *59 G 8.83 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 0.00 0.00 0.00 0.00 *61 C 7.61 4.78 0.00 3.38 3.36 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 *67 D 8.06 4.76 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 68 P 0.00 3.88 0.00 1.06 0.49 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 69 K 8.59 4.27 0.00 2.03 2.02 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.71 7.81 70 M 7.58 4.48 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 71 D 8.13 4.47 0.00 2.82 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 72 V 8.23 4.17 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 0.74 0.00 0.00 0.89 0.00 0.00 73 Y 7.92 4.87 0.00 3.11 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 74 S 8.50 5.16 0.00 3.88 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 75 F 8.07 5.60 0.00 3.20 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 76 S 9.44 4.78 0.00 3.85 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 77 E 8.82 5.47 0.00 1.89 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 0.00 2.36 2.17 0.00 78 E 8.59 4.70 0.00 1.83 1.73 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 2.21 1.90 0.00 79 N 9.80 4.08 0.00 2.83 2.90 0.00 0.00 6.96 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 80 G 8.59 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 81 D 8.01 4.65 0.00 2.69 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 82 I 8.17 4.70 1.81 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 1.12 0.62 0.77 0.00 0.00 83 V 9.16 4.29 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.89 0.00 3.01 2.95 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 85 G 9.24 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 0.00 0.00 0.00 86 G 8.88 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 0.00 0.00 0.00 *88 D 8.10 4.85 0.00 2.83 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 89 D 7.63 4.78 0.00 2.72 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 90 P 0.00 4.26 0.00 2.28 2.29 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 91 C 8.43 4.23 0.00 3.01 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 92 K 8.26 3.92 0.00 2.01 1.97 0.00 1.76 0.00 0.00 2.01 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.80 7.81 93 K 8.10 3.94 0.00 1.83 1.94 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 94 E 7.98 3.86 0.00 2.18 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 2.23 2.28 0.00 95 I 7.41 3.57 2.07 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 1.20 0.77 0.95 0.00 0.00 96 C 7.65 3.01 0.00 1.71 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 97 E 8.08 3.79 0.00 2.07 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 2.49 2.42 0.00 98 C 7.95 4.13 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 3.92 0.00 2.81 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 0.00 100 R 8.29 3.77 0.00 1.71 2.01 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 101 A 8.13 3.86 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 0.00 102 A 7.82 3.45 1.13 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 0.00 103 A 7.99 3.85 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 0.00 104 I 7.57 3.60 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.89 0.00 0.00 105 C 7.79 4.18 0.00 2.92 2.88 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 0.00 0.00 0.00 106 F 7.84 4.54 0.00 3.02 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 0.00 107 R 8.02 3.94 0.00 1.89 2.11 0.00 3.08 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 108 D 8.54 4.58 0.00 2.69 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 0.00 109 N 7.63 5.12 0.00 2.88 2.87 0.00 0.00 6.84 6.61 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 0.00 110 L 7.91 4.31 0.00 1.78 1.81 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.44 4.44 0.00 2.89 3.02 0.00 0.00 5.87 7.71 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 0.00 112 T 7.62 4.55 4.35 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 1.28 0.00 0.00 113 Y 7.83 4.17 0.00 3.11 3.20 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 0.00 114 N 9.26 4.97 0.00 2.78 2.77 0.00 0.00 6.55 8.30 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 0.00 115 D 8.28 4.44 0.00 2.93 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 0.00 116 K 8.09 3.86 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.33 7.81 117 K 7.76 3.97 0.00 1.35 1.00 0.00 1.47 0.00 0.00 0.96 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.46 1.08 7.81 118 Y 7.26 4.22 0.00 1.65 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 0.00 0.00 0.00 119 W 8.14 4.14 0.00 3.46 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 3.57 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 0.00 121 F 7.93 4.31 0.00 2.95 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 0.00 122 G 8.20 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 0.00 123 A 8.65 4.01 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 *124 K 7.99 4.14 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 125 N 7.50 4.51 0.00 2.35 2.42 0.00 0.00 6.81 7.54 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 0.00 126 C 8.03 5.11 0.00 2.83 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 0.00 127 P 0.00 4.40 0.00 2.18 2.05 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 128 Q 8.74 4.05 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 129 E 8.18 4.16 0.00 1.99 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 2.32 2.40 0.00 130 E 7.82 4.50 0.00 2.09 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 2.27 2.26 0.00 131 S 7.74 4.89 0.00 3.94 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 0.00 132 E 8.78 4.23 0.00 1.77 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 2.29 2.24 0.00 133 P 0.00 4.68 0.00 2.16 2.08 0.00 3.85 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 2.03 2.03 0.00 134 C 8.69 4.42 0.00 2.90 2.88 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.