NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4241 8.3033 116.7576 56.0161 32.4349 177.9276 3 F 4.5905 8.0224 118.7277 59.2858 38.8164 176.0476 4 K 3.9945 8.2998 119.1906 59.4706 32.7351 178.4161 5 K 3.9972 8.1534 119.4606 59.2636 32.0257 178.8884 6 V 3.5518 7.9395 118.4429 65.8526 31.5650 177.5145 7 A 4.0308 8.1434 122.9996 56.1443 18.3288 180.4810 8 K 3.9816 8.1404 121.7190 59.9495 31.7220 181.0517 9 E 4.2848 8.1607 118.7781 59.5129 29.3537 179.4638 10 T 3.9006 8.3660 116.1578 66.2812 68.3863 176.8002 11 A 3.9648 8.1930 122.8544 55.1298 18.4855 179.5555 12 I 3.6471 7.5638 117.8866 64.9543 37.2451 178.5322 13 T 3.9071 7.9761 116.3080 66.8472 68.2405 176.5151 14 L 4.0867 8.1949 120.8405 57.9367 41.7853 179.3669 15 Q 3.9767 8.5095 119.8866 59.1207 28.9821 178.4358 16 S 4.0767 8.2398 114.1644 61.6462 62.5282 175.4752 17 Y 4.0917 8.5946 122.6199 60.7685 38.5183 178.0737 18 L 4.0320 8.4602 120.2267 57.7170 41.7184 179.3589 19 T 3.8255 7.8314 115.6770 66.8268 68.3960 175.8785 20 Y 3.8956 7.7212 121.1880 60.6592 38.8547 177.8012 21 Q 3.5082 7.9790 120.3014 58.8768 29.0777 178.1653 22 A 3.9172 7.7014 121.9290 54.9041 18.5160 179.7771 23 V 3.5645 7.7917 119.2932 66.8071 31.7290 178.9512 24 R 3.7894 7.5154 120.3313 61.3388 29.0412 180.3731 25 L 4.1379 7.6037 120.5364 58.0717 42.2429 179.0769 26 I 3.8104 7.8318 119.3254 63.6809 36.8849 178.4553 27 S 4.1104 7.7990 114.3644 61.2441 62.4077 175.6273 28 Q 3.9817 7.7693 120.2703 59.3325 28.5329 178.9631 29 Q 3.9897 7.9531 118.5226 59.4779 28.8210 179.7551 30 L 4.0713 8.0483 119.4207 57.4137 41.3595 179.6409 31 S 4.2339 8.0943 116.3241 61.6479 63.2126 176.5105 32 E 4.2468 7.9972 120.3416 59.7082 29.6163 181.0945 33 T 4.6478 7.3531 104.3631 63.0815 71.5277 174.3586 34 N 4.9946 8.3251 119.7813 49.9970 39.2456 172.9726 35 P 4.4802 0.0000 0.0000 65.9319 31.5555 177.8085 36 G 3.6608 8.2822 105.7899 48.1241 0.0000 175.1376 37 Q 4.1686 8.2960 122.0873 57.5965 29.1490 178.6255 38 A 4.2929 8.0758 125.1054 55.0247 18.4852 179.8923 39 I 3.6780 8.0194 117.4355 65.0401 35.5942 179.8205 40 W 4.4488 8.3472 130.0772 60.6217 30.5062 177.8858 41 L 4.3427 8.4333 120.1652 58.1741 41.3297 178.9956 42 G 3.8101 8.4050 107.7655 48.5754 0.0000 175.8877 43 E 4.0913 7.8780 120.4929 60.5490 29.2151 181.5011 44 F 4.0500 7.7611 120.5045 61.2172 39.1365 177.6099 45 S 4.6559 8.3646 116.4421 61.8599 62.6136 177.0090 46 K 4.1068 7.3204 125.0443 59.7038 31.6718 183.7145 47 R 4.1097 7.2113 117.0840 57.0115 30.1984 176.8135 48 H 4.7679 7.0289 115.2613 53.2854 32.5876 171.2549 49 P 4.5206 0.0000 0.0000 62.1604 31.9358 177.2667 50 I 3.2891 8.4613 123.1937 63.6118 38.1763 176.8310 51 Q 4.1009 8.1144 118.4106 58.5647 29.1770 177.5884 52 E 4.4622 7.7382 119.8930 54.4697 26.4323 176.5987 53 S 4.1984 8.0107 119.7093 61.8213 63.6035 176.6961 54 D 4.4455 8.1702 122.4394 56.8084 40.5817 178.6407 55 L 4.1537 7.9654 119.0712 57.5017 41.5309 178.5762 56 Y 4.1511 8.1332 119.1018 60.6912 38.8521 177.9230 57 L 4.2456 8.1384 118.6311 58.0249 41.9597 178.7041 58 E 4.2335 8.1077 116.8915 58.8266 29.9509 178.7440 59 A 4.2294 7.8212 121.7717 51.5595 15.8543 177.2576 *62 L 4.3648 7.8547 121.9524 54.0610 44.1138 178.1552 63 E 4.4952 7.5856 113.1085 57.9407 30.4034 176.4284 64 N 4.7763 7.4164 115.1631 51.2649 40.1793 174.2723 65 K 3.9470 8.1125 122.5661 58.8678 32.5162 178.1758 66 E 3.9239 8.0159 118.4268 59.4765 29.5328 179.0983 67 L 3.9527 7.6895 119.6796 57.6382 41.9853 179.1433 68 V 3.5297 7.6359 118.0199 66.1034 31.6408 177.7874 69 L 3.9795 7.5833 118.4562 57.8997 41.3483 179.9060 70 R 3.9257 7.9807 118.0521 59.2061 29.9703 179.1026 71 I 3.7294 7.6242 119.5212 64.4472 36.9937 178.5469 72 L 4.0332 8.1610 119.8902 57.8801 41.4696 179.8569 73 T 3.9046 7.8756 115.7762 66.5845 68.5162 177.1509 74 V 3.5919 8.1657 120.8398 65.9241 31.5419 178.1276 75 R 3.9229 8.1307 115.9947 59.4471 29.0471 178.4814 76 E 3.9444 8.0441 120.0625 58.9341 29.3681 178.5654 77 N 4.3432 7.9140 115.8155 56.1137 39.0078 177.0866 78 L 4.1282 8.0911 120.1940 57.6532 41.8522 179.1612 79 A 4.0239 8.1165 120.7614 55.5725 18.1235 179.6762 80 E 4.0902 8.3691 115.4790 58.9177 29.5315 179.1798 81 G 3.8619 7.7802 104.6199 45.9655 0.0000 174.9373 82 V 4.3973 7.5352 118.2898 64.3246 33.2811 177.0873 83 L 4.0348 7.7878 120.6211 58.8166 41.3766 180.1066 84 E 4.0465 7.8788 115.0032 59.9459 29.7911 179.5984 85 F 5.4144 7.4796 115.6715 58.3304 39.4055 177.3943 86 L 4.2191 7.8052 119.4387 57.1665 41.7649 177.0375 87 P 4.4612 0.0000 0.0000 65.5030 31.1877 178.9545 88 E 3.8391 7.9134 112.9029 57.3645 29.1444 178.6860 *90 V 3.9708 7.8852 120.9176 62.8818 33.2353 177.3375 91 L 3.9449 7.8583 120.9598 58.0308 41.7886 178.9952 92 S 4.0833 8.5030 113.6314 61.4557 62.3381 175.9852 93 Q 4.0140 8.0860 120.2501 59.2118 28.3927 178.9954 94 I 3.7236 7.9985 120.8343 64.0894 37.0944 178.6402 95 K 3.9651 7.8451 119.5654 59.4582 31.8936 179.1788 96 Q 3.9319 8.0031 119.7883 59.0725 28.9718 178.2625 97 S 3.9129 8.2845 114.3335 61.4311 62.4507 175.5272 98 N 4.3530 8.4983 119.7994 56.5507 38.2642 177.5480 99 G 3.5959 8.0524 106.6981 47.9348 0.0000 175.5173 100 N 4.3863 8.1424 119.0307 56.3879 38.3930 177.3484 101 H 4.3799 8.2480 117.6681 58.7838 28.7828 178.0270 102 R 3.9627 8.2625 120.1308 59.2057 29.9632 179.4283 103 R 3.8845 7.8333 117.4808 59.4294 30.0159 179.0242 104 S 4.5608 7.9882 112.5070 60.1101 62.2803 175.0867 105 L 4.3764 7.3967 121.6760 55.8738 42.9028 177.2477 106 L 4.8223 7.9783 118.8918 54.2788 42.4934 177.0370 107 E 4.5334 8.0194 117.3299 57.0985 32.2811 176.5206 108 R 4.1652 8.0247 121.3595 56.2418 29.5902 179.8385 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 E 8.30 4.42 0.00 1.91 2.02 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 2.21 1.91 0.00 3 F 8.02 4.59 0.00 3.07 3.04 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 0.00 0.00 0.00 4 K 8.30 3.99 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 5 K 8.15 4.00 0.00 1.89 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.51 7.81 6 V 7.94 3.55 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 1.06 0.00 0.00 1.08 0.00 0.00 7 A 8.14 4.03 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 8 K 8.14 3.98 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 8.16 4.28 0.00 2.23 2.02 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 2.33 2.35 0.00 10 T 8.37 3.90 4.33 0.00 0.00 0.00 0.00 0.00 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 11 A 8.19 3.96 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 12 I 7.56 3.65 2.02 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 1.54 1.02 0.93 0.00 0.00 13 T 7.98 3.91 4.44 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 1.19 0.00 0.00 14 L 8.19 4.09 0.00 1.91 1.76 0.92 1.30 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 15 Q 8.51 3.98 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 16 S 8.24 4.08 0.00 4.18 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 17 Y 8.59 4.09 0.00 3.17 3.17 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 18 L 8.46 4.03 0.00 1.85 1.72 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.83 3.83 4.37 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 1.19 0.00 0.00 20 Y 7.72 3.90 0.00 2.96 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 21 Q 7.98 3.51 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 22 A 7.70 3.92 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 23 V 7.79 3.56 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 1.05 0.00 0.00 0.97 0.00 0.00 24 R 7.52 3.79 0.00 1.87 1.94 0.00 3.32 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 25 L 7.60 4.14 0.00 1.84 1.80 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.83 3.81 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.91 0.00 0.00 27 S 7.80 4.11 0.00 4.16 3.88 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 28 Q 7.77 3.98 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 29 Q 7.95 3.99 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 30 L 8.05 4.07 0.00 1.77 1.73 0.93 0.62 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 31 S 8.09 4.23 0.00 4.04 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 32 E 8.00 4.25 0.00 2.12 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 2.26 2.18 0.00 33 T 7.35 4.65 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 1.27 0.00 0.00 34 N 8.33 4.99 0.00 2.65 2.65 0.00 0.00 6.88 8.51 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 35 P 0.00 4.48 0.00 2.32 2.33 0.00 3.76 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 2.09 2.06 0.00 36 G 8.28 3.66 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 0.00 0.00 0.00 37 Q 8.30 4.17 0.00 2.06 2.10 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 2.21 2.26 0.00 38 A 8.08 4.29 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 39 I 8.02 3.68 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 1.41 0.70 0.91 0.00 0.00 40 W 8.35 4.45 0.00 3.54 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 41 L 8.43 4.34 0.00 2.27 1.97 1.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.40 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 0.00 0.00 0.00 43 E 7.88 4.09 0.00 1.95 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 2.24 2.18 0.00 44 F 7.76 4.05 0.00 2.06 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 45 S 8.36 4.66 0.00 4.19 4.10 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 46 K 7.32 4.11 0.00 1.90 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 R 7.21 4.11 0.00 1.15 1.68 0.00 2.91 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 48 H 7.03 4.77 0.00 2.76 3.10 0.00 5.65 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 49 P 0.00 4.52 0.00 2.32 2.21 0.00 3.79 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 2.13 1.98 0.00 50 I 8.46 3.29 1.62 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.94 0.00 0.00 51 Q 8.11 4.10 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.20 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 52 E 7.74 4.46 0.00 2.05 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 2.48 0.00 53 S 8.01 4.20 0.00 4.25 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 54 D 8.17 4.45 0.00 2.75 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 55 L 7.97 4.15 0.00 1.90 1.76 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.13 4.15 0.00 3.26 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 57 L 8.14 4.25 0.00 1.77 1.78 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.11 4.23 0.00 2.14 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 2.38 2.38 0.00 59 A 7.82 4.23 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 *62 L 7.85 4.36 0.00 1.86 1.84 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.59 4.50 0.00 2.25 2.38 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 2.46 2.44 0.00 64 N 7.42 4.78 0.00 2.16 2.34 0.00 0.00 7.24 6.42 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 65 K 8.11 3.95 0.00 1.79 1.81 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 66 E 8.02 3.92 0.00 1.90 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 2.34 2.30 0.00 67 L 7.69 3.95 0.00 1.72 1.62 0.87 0.75 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 68 V 7.64 3.53 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 1.10 0.00 0.00 0.93 0.00 0.00 69 L 7.58 3.98 0.00 1.82 1.69 0.90 0.89 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 70 R 7.98 3.93 0.00 1.97 1.95 0.00 3.27 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 71 I 7.62 3.73 2.08 0.00 0.00 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 1.56 0.76 0.95 0.00 0.00 72 L 8.16 4.03 0.00 1.69 1.72 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.88 3.90 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 1.20 0.00 0.00 74 V 8.17 3.59 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 1.02 0.00 0.00 0.94 0.00 0.00 75 R 8.13 3.92 0.00 2.08 2.17 0.00 2.84 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 76 E 8.04 3.94 0.00 2.01 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 0.00 2.30 2.35 0.00 77 N 7.91 4.34 0.00 2.92 2.87 0.00 0.00 7.06 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 78 L 8.09 4.13 0.00 1.86 1.73 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.12 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 80 E 8.37 4.09 0.00 1.94 2.02 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 2.34 2.46 0.00 81 G 7.78 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 82 V 7.54 4.40 2.38 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 1.19 0.00 0.00 1.02 0.00 0.00 83 L 7.79 4.03 0.00 1.96 1.68 0.95 0.89 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 84 E 7.88 4.05 0.00 2.07 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 2.23 1.97 0.00 85 F 7.48 5.41 0.00 3.24 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 86 L 7.81 4.22 0.00 1.89 1.74 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 87 P 0.00 4.46 0.00 2.15 2.08 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 88 E 7.91 3.84 0.00 2.13 1.99 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 2.46 2.40 0.00 *90 V 7.89 3.97 2.17 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 0.94 0.00 0.00 0.94 0.00 0.00 91 L 7.86 3.94 0.00 1.85 1.84 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.50 4.08 0.00 3.90 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 93 Q 8.09 4.01 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 8.00 3.72 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.90 0.00 0.00 95 K 7.85 3.97 0.00 1.90 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 96 Q 8.00 3.93 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 97 S 8.28 3.91 0.00 3.92 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 98 N 8.50 4.35 0.00 3.01 2.87 0.00 0.00 6.99 7.23 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 99 G 8.05 3.60 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 0.00 0.00 0.00 100 N 8.14 4.39 0.00 2.82 2.88 0.00 0.00 7.07 8.22 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 0.00 101 H 8.25 4.38 0.00 3.17 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.26 3.96 0.00 1.97 1.99 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 103 R 7.83 3.88 0.00 2.11 1.97 0.00 3.14 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 1.65 1.63 0.00 104 S 7.99 4.56 0.00 3.93 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 0.00 105 L 7.40 4.38 0.00 1.87 1.78 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.98 4.82 0.00 1.67 1.64 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.02 4.53 0.00 2.21 2.26 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 2.18 2.23 0.00 108 R 8.02 4.17 0.00 1.85 1.73 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.