NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.4029 8.2548 109.1185 45.4569 0.0000 175.1009 17 I 3.7913 7.3604 120.1141 63.4313 37.4830 175.3707 18 T 4.0304 7.8635 116.7223 62.8512 69.9523 174.5853 19 G 3.6013 7.9203 113.1027 45.2147 0.0000 170.7583 20 T 4.7843 7.6280 117.2256 61.8364 70.0613 174.6089 21 W 4.9928 9.2036 125.5285 54.9843 33.4729 173.8984 22 Y 5.5242 9.1602 120.3531 56.6603 41.0780 175.6910 23 N 5.5509 8.9238 121.7842 50.8766 39.9584 175.3321 24 Q 4.1668 8.5567 114.7475 58.9375 28.7332 176.4106 25 L 4.6266 7.9090 119.5337 54.3655 42.1390 178.2773 26 G 4.0725 7.8717 104.8070 45.8000 0.0000 175.0539 27 S 4.5158 7.8017 115.9596 59.4408 64.4776 173.4100 28 T 5.0542 9.1851 120.1697 61.9644 71.0570 173.1580 29 F 4.8856 9.5022 125.9281 55.6200 41.8226 174.5100 30 I 4.7711 8.7487 125.4593 59.5737 39.3982 174.7370 31 V 4.5570 8.7172 127.8074 61.1738 34.2858 174.1901 32 T 4.7576 9.1304 124.6674 61.7237 70.8903 173.1130 33 A 4.6844 8.6781 130.0559 50.3845 19.7337 177.2043 34 G 3.8932 9.4662 112.0432 44.9720 0.0000 174.2153 35 A 4.1679 8.4969 122.6791 54.1602 18.5897 178.2078 36 D 4.5894 8.1246 114.0891 53.2144 39.8883 177.3367 37 G 3.4067 8.3828 108.4862 45.0239 0.0000 173.2288 38 A 4.9869 7.9991 121.7701 51.0982 20.7376 176.5967 39 L 5.2468 8.9466 120.6975 53.1413 44.8298 175.9732 40 T 4.9230 9.5097 113.4576 59.3918 72.5166 174.5158 41 G 3.9220 7.2320 108.0355 46.7332 0.0000 171.1121 42 T 4.9616 8.0320 115.0960 60.4351 71.6635 173.6173 43 A 4.4811 8.8855 128.6619 49.9114 21.6880 175.2398 44 E 5.2162 8.7743 121.8838 53.6654 33.3575 176.1897 *52 S 4.2555 8.3911 118.7236 58.5207 64.2627 171.8851 53 R 4.7787 7.9751 120.3603 55.0504 31.5727 174.5687 54 Y 4.8184 8.7101 122.0524 55.8874 42.2660 174.9975 55 V 4.3037 8.5129 122.3147 62.7635 32.6662 175.0632 56 L 5.1169 8.6759 127.1581 54.4627 43.6816 175.1181 57 T 4.9516 8.4955 113.9039 61.3678 71.4534 173.1476 58 G 4.5865 8.8439 113.1809 46.2269 0.0000 171.9037 59 R 5.6013 8.6624 117.3856 54.7964 34.6292 174.2433 60 Y 5.3193 8.5820 118.5788 55.4020 41.9760 174.4429 61 D 4.4575 8.9924 120.3502 53.3865 41.5491 176.1570 62 S 4.2343 8.1696 119.7554 58.2845 63.6826 175.2262 63 A 4.6502 8.1346 122.8630 50.8290 19.0932 173.9421 64 P 4.8008 0.0000 0.0000 60.8512 32.8844 176.8653 65 A 4.2437 8.2732 121.3414 52.8352 18.7662 177.3216 66 T 4.5828 8.3863 115.1903 63.5745 68.7973 174.9438 67 D 4.7698 8.2986 119.1008 53.1346 39.5249 177.3121 68 G 3.9592 8.3195 107.5287 45.8128 0.0000 174.5574 69 S 4.2732 7.9036 115.5308 58.3267 63.3422 174.0571 70 G 4.0220 8.2830 110.0141 46.0672 0.0000 172.7520 71 T 4.7815 8.6368 116.3162 61.6467 70.1485 174.9589 72 A 4.7618 8.6608 129.2062 52.1641 20.0158 175.8237 73 L 4.9497 8.7179 120.0092 55.4847 44.7047 174.0772 74 G 5.0055 8.8460 104.6014 45.4349 0.0000 172.2213 75 W 5.9239 8.0505 117.5907 55.5414 32.4915 173.2432 76 T 5.3630 9.3029 115.9527 61.8901 72.3241 173.4200 77 V 4.6951 9.0174 124.9574 60.9801 34.2399 173.9595 78 A 4.3947 8.4079 129.8200 50.0221 20.0558 178.0652 79 W 4.2320 8.6259 125.8262 55.0801 27.9722 176.0164 80 K 5.3289 7.7624 118.4245 54.7122 35.3867 174.7307 81 N 5.0055 8.9770 122.4971 51.8881 39.7622 174.2687 82 N 4.3485 8.6755 113.7833 55.7900 38.8085 175.2402 83 Y 4.6160 7.6748 113.3595 58.4594 40.2714 175.8875 84 R 4.7647 9.2466 118.1598 54.5480 33.5323 173.2577 85 N 5.2762 8.6181 119.7833 52.4290 41.3490 173.7609 86 A 4.4605 9.3092 128.0513 51.4160 20.0296 175.9368 87 H 4.1770 8.8751 114.0515 56.2918 26.9034 173.5158 88 S 5.1331 7.5002 110.9837 58.0374 66.6130 174.4719 89 A 5.0756 9.0593 121.0474 50.8823 22.8793 175.2417 90 T 5.0894 8.8572 117.5922 61.7992 71.9150 173.3967 91 T 5.1055 8.6122 115.3572 59.6958 72.1140 172.6719 92 W 5.0786 8.9750 124.3382 54.9012 31.8677 174.7168 93 S 4.8670 8.6881 119.2208 56.8249 64.8565 172.8607 94 G 4.4610 8.4289 113.6116 46.5615 0.0000 171.7743 95 Q 5.1727 8.3203 117.9959 54.8439 32.9574 173.5749 96 Y 4.7928 8.9646 122.5980 56.8825 40.7982 174.3196 97 V 3.9712 8.3521 126.5922 60.9876 34.0296 175.7683 98 G 3.7938 7.8316 119.1674 44.3043 0.0000 169.8992 99 G 3.6748 8.9280 104.6005 44.0102 0.0000 173.2939 100 A 4.1138 8.7164 120.8002 54.9217 18.3398 178.3542 101 E 4.5010 7.7028 116.3549 53.9717 28.7168 174.7061 102 A 4.5996 7.8663 123.4108 52.0149 19.8347 176.9192 103 R 5.2479 8.8725 115.5556 55.4346 33.9568 173.8096 104 I 4.8901 8.7208 120.5478 59.7445 39.9147 174.4347 105 N 5.4316 9.0286 125.6767 52.1677 40.4744 174.5827 106 T 5.2300 9.0278 112.6004 60.3417 73.0839 172.5934 107 Q 5.1633 9.0256 121.0805 53.9193 32.3715 174.7413 108 W 5.4458 8.5034 118.2116 54.7206 32.4684 173.7802 109 L 5.2225 8.6840 120.0416 52.9245 44.7108 175.2455 110 L 5.0615 9.3154 126.5912 53.7434 44.3176 174.9144 111 T 5.0950 9.0021 123.6669 61.9545 71.1521 173.6929 112 S 5.2165 8.5411 121.7025 56.3696 65.8465 174.2519 113 G 3.9123 8.9751 111.7657 46.4784 0.0000 173.1140 114 T 4.8175 8.3224 113.9947 59.4770 72.4929 173.2373 115 T 4.1507 8.0606 111.6229 60.9258 69.3661 175.3339 116 E 3.9327 8.8027 121.0403 59.3650 29.5033 178.7440 117 A 4.4937 7.9425 118.5979 52.8353 19.2671 177.0035 118 N 5.0198 8.2962 112.2207 52.5131 40.1137 176.2810 119 A 4.1435 8.0667 122.0386 53.9403 18.6513 180.3014 120 W 4.3452 8.3929 112.5995 58.5394 28.3221 176.8406 121 K 3.9549 6.7295 117.8689 56.0894 32.2226 177.1192 122 S 4.2750 7.6745 114.6817 60.3044 63.6935 173.2002 123 T 5.0480 7.5224 117.3986 61.9016 70.9253 173.4191 124 L 4.7764 8.9402 127.1852 53.3987 44.1365 176.1409 125 V 4.4303 7.7934 119.9650 60.3772 34.6622 175.0958 126 G 3.0299 6.7360 108.0339 45.6399 0.0000 171.2702 127 H 5.4509 8.1687 113.7387 54.0749 32.0786 172.6481 128 D 5.1901 9.2433 118.5767 53.1604 45.5781 174.4366 129 T 5.2123 8.5974 118.8135 61.8169 71.8146 172.9745 130 F 5.5828 9.2030 124.8405 56.0392 41.9671 174.8288 131 T 5.4512 9.2627 112.1056 60.1161 72.2678 174.7779 132 K 3.9080 8.9491 120.2717 57.1381 32.7189 177.7344 133 V 4.0434 7.7527 123.0271 61.6113 31.4557 175.3821 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 16 G 8.25 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 17 I 7.36 3.79 1.40 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.03 0.57 0.00 0.00 18 T 7.86 4.03 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 1.20 0.00 0.00 19 G 7.92 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 20 T 7.63 4.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 21 W 9.20 4.99 0.00 3.08 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 22 Y 9.16 5.52 0.00 3.03 2.91 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 0.00 0.00 0.00 0.00 23 N 8.92 5.55 0.00 2.32 2.04 0.00 0.00 6.61 8.78 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 24 Q 8.56 4.17 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 25 L 7.91 4.63 0.00 1.72 1.72 0.96 0.92 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 26 G 7.87 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 27 S 7.80 4.52 0.00 4.34 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 28 T 9.19 5.05 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 1.17 0.00 0.00 29 F 9.50 4.89 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 30 I 8.75 4.77 1.78 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 1.02 0.67 0.83 0.00 0.00 31 V 8.72 4.56 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 0.50 0.00 0.00 0.36 0.00 0.00 32 T 9.13 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 1.17 0.00 0.00 33 A 8.68 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.47 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.50 4.17 1.31 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 36 D 8.12 4.59 0.00 2.78 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 37 G 8.38 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 0.00 0.00 0.00 38 A 8.00 4.99 1.27 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 0.00 0.00 39 L 8.95 5.25 0.00 1.76 1.55 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.51 4.92 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 41 G 7.23 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 42 T 8.03 4.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 A 8.89 4.48 0.67 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 0.00 0.00 44 E 8.77 5.22 0.00 1.90 1.80 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 2.17 2.03 0.00 *52 S 8.39 4.26 0.00 3.91 3.61 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 0.00 0.00 0.00 0.00 53 R 7.98 4.78 0.00 1.65 1.67 0.00 3.13 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 54 Y 8.71 4.82 0.00 2.77 2.68 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 55 V 8.51 4.30 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 0.77 0.00 0.00 0.91 0.00 0.00 56 L 8.68 5.12 0.00 1.86 1.61 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.50 4.95 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 1.26 0.00 0.00 58 G 8.84 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 0.00 0.00 0.00 0.00 59 R 8.66 5.60 0.00 1.78 1.80 0.00 3.29 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 60 Y 8.58 5.32 0.00 3.07 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 61 D 8.99 4.46 0.00 2.85 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 62 S 8.17 4.23 0.00 3.85 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 63 A 8.13 4.65 1.20 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 0.00 0.00 64 P 0.00 4.80 0.00 2.26 2.17 0.00 3.43 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.27 4.24 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 0.00 0.00 0.00 0.00 0.00 66 T 8.39 4.58 4.26 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 1.24 0.00 0.00 67 D 8.30 4.77 0.00 2.77 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 68 G 8.32 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 0.00 0.00 0.00 69 S 7.90 4.27 0.00 3.95 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 70 G 8.28 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 0.00 0.00 0.00 71 T 8.64 4.78 4.53 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 0.00 0.00 1.42 0.00 0.00 72 A 8.66 4.76 1.27 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 0.00 0.00 73 L 8.72 4.95 0.00 2.03 1.89 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.85 5.01 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 75 W 8.05 5.92 0.00 3.48 3.28 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 76 T 9.30 5.36 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 1.30 0.00 0.00 77 V 9.02 4.70 1.69 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 -0.11 0.00 0.00 0.98 0.00 0.00 78 A 8.41 4.39 1.19 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 0.00 0.00 0.00 0.00 0.00 79 W 8.63 4.23 0.00 3.30 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 80 K 7.76 5.33 0.00 1.94 1.71 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.47 7.81 81 N 8.98 5.01 0.00 2.83 2.73 0.00 0.00 6.69 6.49 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 82 N 8.68 4.35 0.00 1.70 2.23 0.00 0.00 6.60 7.46 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 83 Y 7.67 4.62 0.00 3.09 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 84 R 9.25 4.76 0.00 1.85 1.88 0.00 3.13 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 85 N 8.62 5.28 0.00 2.68 2.56 0.00 0.00 6.88 7.96 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 86 A 9.31 4.46 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 87 H 8.88 4.18 0.00 3.32 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.50 5.13 0.00 4.12 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 89 A 9.06 5.08 1.21 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 90 T 8.86 5.09 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 -0.04 0.00 0.00 91 T 8.61 5.11 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 1.23 0.00 0.00 92 W 8.97 5.08 0.00 1.81 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 0.00 0.00 0.00 93 S 8.69 4.87 0.00 3.79 3.62 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 94 G 8.43 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 0.00 0.00 0.00 0.00 95 Q 8.32 5.17 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 96 Y 8.96 4.79 0.00 2.99 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 97 V 8.35 3.97 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 0.82 0.00 0.00 0.88 0.00 0.00 98 G 7.83 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 99 G 8.93 3.67 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 0.00 0.00 0.00 100 A 8.72 4.11 1.31 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 0.00 101 E 7.70 4.50 0.00 1.94 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 2.25 2.31 0.00 102 A 7.87 4.60 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 0.00 103 R 8.87 5.25 0.00 2.15 2.29 0.00 2.79 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 104 I 8.72 4.89 1.60 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.80 0.00 0.00 105 N 9.03 5.43 0.00 2.67 2.77 0.00 0.00 6.05 6.60 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 0.00 106 T 9.03 5.23 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 1.18 0.00 0.00 107 Q 9.03 5.16 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 108 W 8.50 5.45 0.00 2.76 2.40 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 0.00 109 L 8.68 5.22 0.00 1.58 1.57 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.32 5.06 0.00 1.78 1.74 1.07 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.00 5.09 4.26 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 1.22 0.00 0.00 112 S 8.54 5.22 0.00 3.71 3.74 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 0.00 113 G 8.98 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.32 4.82 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 1.23 0.00 0.00 115 T 8.06 4.15 4.26 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 1.22 0.00 0.00 116 E 8.80 3.93 0.00 2.07 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 2.42 2.34 0.00 117 A 7.94 4.49 1.33 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 0.00 0.00 0.00 118 N 8.30 5.02 0.00 2.70 2.67 0.00 0.00 6.81 6.41 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 0.00 119 A 8.07 4.14 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 0.00 120 W 8.39 4.35 0.00 3.57 3.25 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 0.00 121 K 6.73 3.95 0.00 1.04 0.74 0.00 1.31 0.00 0.00 1.24 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.83 7.81 122 S 7.67 4.28 0.00 4.16 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 0.00 123 T 7.52 5.05 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 0.00 124 L 8.94 4.78 0.00 1.79 1.71 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.79 4.43 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 0.55 0.00 0.00 0.68 0.00 0.00 126 G 6.74 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 0.00 0.00 0.00 127 H 8.17 5.45 0.00 3.18 3.13 0.00 5.67 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 0.00 128 D 9.24 5.19 0.00 3.21 2.71 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 0.00 129 T 8.60 5.21 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 1.35 0.00 0.00 130 F 9.20 5.58 0.00 2.94 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 0.00 131 T 9.26 5.45 4.41 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 1.37 0.00 0.00 132 K 8.95 3.91 0.00 1.61 1.69 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.52 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.43 0.21 7.81 133 V 7.75 4.04 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 0.74 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.