NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2918 8.0932 114.7994 57.8440 64.5823 174.3084 2 L 4.1934 8.4531 120.7478 56.2596 41.3114 178.2398 3 L 4.0444 8.4926 122.5908 58.1203 42.4062 178.2442 4 E 4.2180 8.0166 118.0887 59.1056 29.5164 178.7697 5 F 4.7223 8.5517 121.0024 61.5403 39.6056 177.5316 6 G 3.5750 8.1601 104.7730 47.4499 0.0000 175.6028 7 K 4.0958 7.7534 120.6903 59.4092 32.1311 178.9367 8 M 4.0855 8.2345 119.0976 58.4337 31.9120 178.4566 9 I 3.5906 7.4914 119.9114 64.4694 37.2502 178.1759 10 L 4.6191 7.6020 121.5817 57.9023 41.7217 178.9021 11 E 4.0063 7.9388 117.1380 59.2384 29.4051 179.0527 12 E 4.1298 8.2898 118.3658 59.5104 29.8655 178.7910 13 T 4.2466 8.3025 108.5253 61.9717 69.8323 175.9890 14 G 3.7882 8.0844 109.6441 45.3793 0.0000 172.9771 *16 K 4.5584 7.4363 117.5401 56.2044 33.3513 174.4731 17 L 4.6303 7.9493 120.1776 53.3907 43.0798 177.2654 18 A 4.0725 8.7918 127.0309 55.1772 18.3488 177.0026 19 I 4.5300 7.6267 115.0768 59.5712 38.2625 173.9632 20 P 5.4490 0.0000 0.0000 61.8716 31.5706 176.2428 21 S 4.1776 7.7790 117.7363 61.6948 62.6277 174.8202 22 Y 4.8083 8.5385 114.8056 57.5345 39.0333 176.1178 23 S 4.8044 8.1360 114.9945 58.9112 64.2390 175.4493 24 S 4.5153 7.7824 115.6843 58.2666 63.5096 172.1820 25 Y 4.7300 8.1492 121.3987 58.1606 40.2088 175.6698 26 G 3.4467 7.9111 116.1723 47.0880 0.0000 173.2275 27 C 4.6785 9.4631 117.1377 57.4791 40.1931 173.8712 28 Y 5.1362 8.7372 115.0869 56.6305 39.7942 174.5834 29 C 4.8011 8.2547 118.5404 59.7976 39.4557 172.6633 30 G 4.8112 9.2151 114.7197 46.5168 0.0000 172.9964 31 W 5.4195 8.4211 126.4714 56.7700 32.7666 176.7578 32 G 4.2748 7.5468 107.1294 45.6831 0.0000 174.7516 33 G 3.6600 8.6818 112.3986 43.6535 0.0000 171.4596 34 K 4.6576 7.3544 116.5057 54.6151 35.7063 174.9883 35 G 3.8835 8.1414 102.0145 44.6082 0.0000 172.4955 36 T 4.3294 7.6392 115.2981 61.2554 69.3232 173.6645 37 P 4.5651 0.0000 0.0000 63.1679 31.8352 176.7912 38 K 3.8818 8.7670 121.7863 59.0245 32.5222 176.0707 39 D 4.4283 7.2844 115.5736 51.4350 41.8348 175.1020 40 A 3.9977 8.8122 119.8305 56.2500 18.0778 179.9458 41 T 4.0406 7.9808 113.5951 66.9502 68.5291 176.2495 42 D 4.6036 8.7827 119.9299 57.2424 41.1820 178.5018 43 R 3.9897 8.1568 118.9342 59.1118 30.0031 178.1828 44 C 4.2022 8.2336 116.5989 60.2399 36.9840 175.5719 45 C 4.3723 8.2401 118.1530 59.7748 40.8742 175.7403 46 F 3.7420 8.3804 122.3636 61.3697 38.8619 177.3779 47 V 3.2820 7.9377 117.7481 66.0478 31.2881 177.3780 48 H 3.8123 8.1657 117.9724 59.2526 29.7845 176.9609 49 D 4.1780 8.3308 120.9720 57.5934 40.4170 178.2162 50 C 4.1158 7.5703 115.9903 59.7745 38.8981 175.0896 51 C 4.2806 8.1302 120.5167 59.9861 44.1625 175.2770 52 Y 4.2831 7.9208 118.4175 61.0497 37.1776 178.8397 53 G 3.6430 8.0217 105.6530 47.1583 0.0000 174.4643 54 N 4.7249 7.7922 116.4575 53.1113 40.2341 175.3150 55 L 4.7686 7.4783 120.1856 52.1858 41.8722 174.2451 56 P 4.2067 0.0000 0.0000 65.6945 32.2689 178.5472 *59 D 4.7151 7.8239 115.1293 54.3359 42.5284 175.5356 *61 C 5.2727 7.6741 115.7266 57.3281 40.0277 172.8762 *67 N 4.8771 7.9532 116.5130 52.4887 38.5646 173.2969 68 P 4.0474 0.0000 0.0000 65.2668 32.1501 179.1437 69 K 4.0997 8.1045 117.3461 58.6069 32.1005 178.3212 70 S 4.6013 7.8178 109.7373 57.7852 64.6408 173.2783 71 D 4.5156 8.3215 122.3317 53.6354 41.1085 175.7465 72 R 4.5867 8.6485 125.5869 54.9390 31.1567 175.1092 73 Y 5.0062 7.6887 118.0212 55.1974 41.6184 174.2233 74 K 4.9646 8.5840 118.6637 55.0243 35.3139 175.0149 75 Y 5.5183 8.1581 120.0443 55.7489 41.1973 173.4786 76 K 4.7292 9.7189 120.0351 55.3084 37.0933 174.6969 77 R 5.6958 8.5025 117.8984 53.7572 32.8835 175.9660 78 V 4.0694 8.4643 124.8095 61.9343 31.8096 174.9870 79 N 4.1366 9.5353 125.6102 54.3970 35.6085 175.8238 80 G 4.0207 8.6091 107.8981 45.2995 0.0000 174.5591 81 A 4.2952 7.5561 122.0870 51.5631 19.7095 177.0215 82 I 4.3359 8.3567 123.2318 61.2518 38.1924 175.6580 83 V 4.4031 9.5790 127.8601 61.1405 34.2626 173.7001 84 C 4.8869 8.8965 126.0839 56.8124 40.6927 173.3991 85 E 4.6571 8.8411 124.2693 55.1140 30.7792 176.7725 86 K 4.7467 7.9732 121.7369 56.4303 34.3865 175.5933 *88 G 4.4178 8.1245 110.7614 45.4024 0.0000 174.1290 89 T 4.2815 9.1761 117.8203 60.5808 71.2085 175.4919 90 S 4.0651 8.4393 114.5903 61.8391 62.3788 176.6148 91 C 4.3068 8.1181 118.6508 60.0659 35.5006 175.8231 92 E 3.9807 8.1762 120.0305 59.3593 28.9624 179.1483 93 N 4.2565 8.2299 116.5280 56.5172 38.6884 177.7775 94 R 3.9431 7.8284 118.8652 58.9369 30.0828 179.2731 95 I 3.6788 7.7437 119.8962 64.3574 37.1424 177.3551 96 C 3.0856 7.4927 119.1651 59.5668 40.0779 175.6287 97 E 3.8576 7.7774 119.5648 59.3786 28.8300 178.7416 98 C 4.1665 7.7974 116.1729 60.0515 41.0603 175.9595 99 D 3.8617 8.0417 120.4251 57.0204 40.4836 178.4515 100 K 3.7095 8.3754 120.3183 59.6150 31.9916 178.5477 101 A 3.8579 7.8727 120.5009 55.0697 18.2695 179.4499 102 A 3.4416 7.6349 118.9333 54.8968 18.3302 179.6475 103 A 3.9059 8.1142 119.3533 55.4856 18.4416 179.9594 104 I 3.6124 7.5364 118.1371 64.5836 37.0074 177.8335 105 C 4.1833 8.2675 119.6201 59.7038 43.1819 175.6842 106 F 4.4544 7.8437 118.7392 60.6186 38.4893 177.3113 107 R 4.0744 8.2770 118.4797 59.5152 29.7086 178.3919 108 Q 4.1007 8.4600 118.4609 58.0700 29.1898 176.3259 109 N 5.1841 7.6477 116.1606 52.9240 39.6642 176.2596 110 L 4.1045 7.9700 122.1001 57.9480 41.7350 179.3940 111 N 4.4662 8.2993 114.1626 55.2815 37.1289 175.3566 112 T 4.5132 7.5586 113.5025 63.0434 69.5850 173.8218 113 Y 4.1161 8.0295 124.2492 57.6900 39.4082 175.0546 114 S 4.8065 8.7022 121.4659 56.1906 65.0173 174.8953 115 K 4.2134 8.6721 126.6590 58.5162 32.0782 178.6484 116 K 4.0620 7.2955 115.8515 58.4941 32.7158 177.1351 117 Y 4.4786 7.1892 116.6653 58.0717 38.3073 175.2751 118 M 4.3723 7.4248 120.5644 56.0847 32.5712 175.9747 119 L 3.6681 8.5887 121.6268 55.5177 39.9822 174.4511 120 Y 4.1011 8.2181 119.0352 56.9705 39.4813 173.9225 121 P 4.4088 0.0000 0.0000 62.4479 32.4719 176.4357 122 D 4.3145 9.0776 121.9516 57.3384 41.1829 178.1470 *124 F 4.7411 7.8341 110.9686 56.6026 39.5492 175.3687 125 L 3.6816 6.9558 118.7807 55.2102 41.4178 176.7838 126 C 4.6927 7.9621 118.2296 55.2011 33.7196 172.8911 127 K 4.6018 8.3261 123.0996 54.5853 35.2778 176.1993 128 G 4.1958 9.0696 105.8782 45.1957 0.0000 172.1064 129 E 4.7756 7.8872 116.5072 54.6353 33.0731 176.2454 130 L 4.0737 8.0562 121.1102 54.4403 43.1488 174.6210 131 K 4.2291 8.3556 127.8891 56.1353 33.2733 177.4359 *133 C 4.8411 8.4609 118.7767 57.4449 41.5301 173.9496 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 8.09 5.29 0.00 4.21 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 2 L 8.45 4.19 0.00 1.82 1.91 1.06 0.65 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 3 L 8.49 4.04 0.00 1.71 1.64 0.93 0.88 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 4 E 8.02 4.22 0.00 1.78 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 1.97 2.30 0.00 5 F 8.55 4.72 0.00 3.37 3.19 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 6 G 8.16 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.10 0.00 2.09 2.18 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.55 7.81 8 M 8.23 4.09 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.02 0.00 9 I 7.49 3.59 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.26 0.76 0.00 0.00 10 L 7.60 4.62 0.00 1.77 1.83 0.91 0.87 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 11 E 7.94 4.01 0.00 2.21 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 0.00 2.40 2.72 0.00 12 E 8.29 4.13 0.00 2.12 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 2.47 2.45 0.00 13 T 8.30 4.25 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 14 G 8.08 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 *16 K 7.44 4.56 0.00 1.81 1.56 0.00 1.35 0.00 0.00 0.92 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 17 L 7.95 4.63 0.00 1.67 1.67 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.79 4.07 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 19 I 7.63 4.53 1.89 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 0.69 0.93 0.00 0.00 20 P 0.00 5.45 0.00 2.17 2.11 0.00 3.36 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 21 S 7.78 4.18 0.00 3.80 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 22 Y 8.54 4.81 0.00 2.74 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 23 S 8.14 4.80 0.00 4.08 4.19 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 24 S 7.78 4.52 0.00 3.99 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 25 Y 8.15 4.73 0.00 3.24 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 26 G 7.91 3.45 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 0.00 27 C 9.46 4.68 0.00 3.06 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 28 Y 8.74 5.14 0.00 3.37 3.15 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 0.00 0.00 0.00 29 C 8.25 4.80 0.00 3.41 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 30 G 9.22 4.81 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 31 W 8.42 5.42 0.00 3.20 3.11 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 G 7.55 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 0.00 0.00 0.00 0.00 33 G 8.68 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 34 K 7.35 4.66 0.00 1.85 1.76 0.00 1.17 0.00 0.00 1.39 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.52 7.81 35 G 8.14 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 0.00 0.00 0.00 36 T 7.64 4.33 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 1.13 0.00 0.00 37 P 0.00 4.57 0.00 1.88 1.94 0.00 3.39 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 38 K 8.77 3.88 0.00 0.79 0.74 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 0.21 7.81 39 D 7.28 4.43 0.00 2.79 2.61 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 40 A 8.81 4.00 1.42 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 0.00 0.00 41 T 7.98 4.04 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 1.14 0.00 0.00 42 D 8.78 4.60 0.00 3.00 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 43 R 8.16 3.99 0.00 2.14 1.96 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 44 C 8.23 4.20 0.00 3.25 2.61 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 45 C 8.24 4.37 0.00 3.37 3.53 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 0.00 46 F 8.38 3.74 0.00 2.53 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 47 V 7.94 3.28 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 0.91 0.00 0.00 1.01 0.00 0.00 48 H 8.17 3.81 0.00 3.12 3.30 0.00 5.64 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 8.33 4.18 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.12 0.00 2.80 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 51 C 8.13 4.28 0.00 2.94 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 52 Y 7.92 4.28 0.00 3.11 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 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 54 N 7.79 4.72 0.00 2.84 2.83 0.00 0.00 6.77 7.94 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 55 L 7.48 4.77 0.00 1.50 1.51 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.21 0.00 2.16 2.08 0.00 3.59 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 2.09 0.00 *59 D 7.82 4.72 0.00 2.74 2.69 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 *61 C 7.67 5.27 0.00 3.03 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 *67 N 7.95 4.88 0.00 2.74 2.78 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 68 P 0.00 4.05 0.00 1.13 0.61 0.00 3.33 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.61 0.00 69 K 8.10 4.10 0.00 1.82 1.90 0.00 1.65 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.47 7.81 70 S 7.82 4.60 0.00 3.94 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 71 D 8.32 4.52 0.00 2.71 2.66 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 72 R 8.65 4.59 0.00 1.82 1.76 0.00 3.22 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 73 Y 7.69 5.01 0.00 3.02 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 74 K 8.58 4.96 0.00 1.75 1.92 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.16 5.52 0.00 3.11 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 76 K 9.72 4.73 0.00 1.77 1.93 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.44 7.81 77 R 8.50 5.70 0.00 1.72 1.94 0.00 3.60 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 78 V 8.46 4.07 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 1.04 0.00 0.00 0.96 0.00 0.00 79 N 9.54 4.14 0.00 2.93 2.92 0.00 0.00 7.31 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 8.61 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 81 A 7.56 4.30 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 82 I 8.36 4.34 1.83 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 1.23 0.58 0.76 0.00 0.00 83 V 9.58 4.40 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 1.02 0.00 0.00 1.00 0.00 0.00 84 C 8.90 4.89 0.00 2.88 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 85 E 8.84 4.66 0.00 2.08 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 0.00 2.36 2.32 0.00 86 K 7.97 4.75 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.41 7.81 *88 G 8.12 4.42 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 0.00 0.00 0.00 89 T 9.18 4.28 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 1.27 0.00 0.00 90 S 8.44 4.07 0.00 3.90 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 91 C 8.12 4.31 0.00 2.99 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 92 E 8.18 3.98 0.00 2.33 2.09 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 2.59 2.59 0.00 93 N 8.23 4.26 0.00 2.84 2.82 0.00 0.00 7.04 6.97 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 94 R 7.83 3.94 0.00 1.83 1.92 0.00 3.09 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 95 I 7.74 3.68 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.98 0.00 0.00 96 C 7.49 3.09 0.00 2.04 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 E 7.78 3.86 0.00 2.04 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 2.42 2.42 0.00 98 C 7.80 4.17 0.00 3.21 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 99 D 8.04 3.86 0.00 2.78 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 0.00 100 K 8.38 3.71 0.00 1.71 1.90 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 A 7.87 3.86 1.29 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 0.00 0.00 102 A 7.63 3.44 1.05 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 0.00 0.00 103 A 8.11 3.91 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 7.54 3.61 1.94 0.00 0.00 0.82 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 0.70 0.87 0.00 0.00 105 C 8.27 4.18 0.00 2.93 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 0.00 106 F 7.84 4.45 0.00 3.02 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 0.00 107 R 8.28 4.07 0.00 2.03 2.11 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.46 4.10 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.65 5.18 0.00 2.83 2.84 0.00 0.00 6.84 7.55 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 0.00 110 L 7.97 4.10 0.00 1.88 1.76 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.47 0.00 2.86 3.00 0.00 0.00 5.86 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 7.56 4.51 4.32 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 1.30 0.00 0.00 113 Y 8.03 4.12 0.00 2.97 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 0.00 114 S 8.70 4.81 0.00 3.94 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 0.00 115 K 8.67 4.21 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.63 7.81 116 K 7.30 4.06 0.00 1.70 1.72 0.00 1.33 0.00 0.00 1.46 0.00 0.00 2.23 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.74 0.39 7.81 117 Y 7.19 4.48 0.00 2.03 1.79 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 0.00 118 M 7.42 4.37 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 119 L 8.59 3.67 0.00 1.80 1.74 0.91 0.70 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 0.00 120 Y 8.22 4.10 0.00 3.05 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 0.00 121 P 0.00 4.41 0.00 2.61 2.23 0.00 2.78 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 122 D 9.08 4.31 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 *124 F 7.83 4.74 0.00 3.26 3.14 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 0.00 125 L 6.96 3.68 0.00 1.15 1.47 0.37 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.96 4.69 0.00 3.12 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 0.00 127 K 8.33 4.60 0.00 1.82 1.67 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 128 G 9.07 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 0.00 0.00 0.00 0.00 129 E 7.89 4.78 0.00 1.93 1.84 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 2.23 2.23 0.00 130 L 8.06 4.07 0.00 1.35 1.28 0.79 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.36 4.23 0.00 1.87 1.69 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.49 7.81 *133 C 8.46 4.84 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.