NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5919 8.1293 118.3715 58.0401 39.4858 175.0706 3 S 4.6219 8.3328 119.5285 55.8207 66.5206 174.1472 4 F 4.2164 9.5439 124.7484 61.7291 39.4516 178.0160 5 E 3.7660 8.2907 117.4873 59.5965 29.2853 179.3120 6 Q 4.0350 8.1119 117.8175 58.7789 28.7568 178.6099 7 A 3.8849 8.1851 121.9445 55.0911 18.3074 179.7926 8 I 3.4454 7.4365 118.3098 64.6011 37.0685 178.7509 9 T 3.7472 7.7574 116.5526 66.6888 68.3330 176.4547 10 Q 4.0084 8.0815 121.4148 59.0385 29.1085 177.9957 11 L 4.3167 7.9194 122.7439 57.8824 42.2073 179.0586 12 F 4.1134 8.8709 117.9778 60.5143 38.6633 177.7597 13 Q 4.1352 8.2841 117.9992 59.0477 28.5131 178.6881 14 Q 4.0827 8.1594 119.0995 58.3973 28.5780 177.6860 15 L 4.4515 7.8764 117.2253 53.8171 42.4444 176.5065 16 S 3.7681 7.6486 113.9011 59.8057 60.8123 171.9298 17 L 4.6832 8.1134 118.7371 52.3986 43.8600 177.1231 18 S 4.1882 8.5979 117.2738 58.5338 62.8403 173.4079 19 I 4.2591 8.2829 128.6650 59.2851 37.6876 173.9836 20 P 4.3437 0.0000 0.0000 62.6813 31.9017 175.8499 21 D 4.4294 8.9024 121.2312 57.0019 41.2321 176.7345 22 T 4.4551 7.6375 114.7440 61.5133 70.3496 173.6652 23 I 3.9997 8.2651 128.1911 60.3891 37.3026 175.9440 24 E 4.3518 8.5659 125.5340 54.9714 29.9276 176.3622 25 P 4.0733 0.0000 0.0000 64.8903 31.5306 176.2059 26 V 4.8658 7.1499 115.5341 60.8367 33.9616 175.0222 27 I 4.5776 9.3411 128.6722 59.6220 39.7333 175.0746 28 G 4.4814 8.8701 114.1455 44.9256 0.0000 172.8736 29 V 4.4765 8.7597 120.6632 60.8944 35.3639 173.5762 30 K 4.8409 8.6229 129.0277 54.8219 33.6014 175.4847 31 V 4.2486 8.5628 127.7652 61.6678 34.0692 175.6961 32 G 3.8204 8.3205 118.7410 47.1787 0.0000 173.1661 33 E 4.3216 8.8036 121.2683 55.2125 29.6733 174.8312 34 F 4.6630 8.2220 119.1313 55.9003 40.8370 174.1071 35 A 4.6560 8.6427 128.0962 51.3269 19.4719 175.9652 36 C 4.8336 9.2042 120.9575 58.3284 31.2461 172.8061 37 H 5.2713 8.4242 119.8554 53.9395 30.9582 173.6706 38 I 4.8713 8.3863 122.7715 59.9836 40.5094 174.5527 39 T 4.7076 9.1052 119.7691 61.7345 71.6553 171.8129 40 E 4.8824 7.8022 126.0190 55.4696 30.2416 174.9909 41 H 4.6463 8.6355 127.0980 54.9282 33.3509 172.0490 42 P 4.4677 0.0000 0.0000 61.4263 33.0221 175.1374 43 V 3.8371 8.1239 117.4675 65.2260 31.6329 176.5654 44 G 4.0466 10.0176 115.3266 45.1364 0.0000 172.4189 45 Q 5.0219 8.1246 118.6897 54.0254 32.8147 174.5139 46 I 4.6859 9.0781 125.1319 60.3047 38.7664 175.1556 47 L 5.2002 9.1239 130.7948 53.2785 45.1607 174.6985 *49 F 5.2814 8.2627 113.7816 57.2950 39.5871 173.7576 50 T 5.0538 9.1106 113.4224 60.8738 71.5795 172.7280 51 L 5.1408 8.6225 125.6168 52.4473 42.1280 174.7859 52 P 4.7176 0.0000 0.0000 62.0432 32.6796 176.0980 53 S 4.6993 8.4889 114.5741 56.8060 64.1436 174.5271 54 L 4.4331 8.3671 125.3848 53.5761 43.0194 175.8399 55 D 4.6434 8.3998 120.0257 53.3576 41.3164 176.9751 56 N 4.4923 8.8389 124.7320 55.7881 38.7396 175.9326 57 N 4.5242 9.0744 115.4786 55.1628 38.9934 175.3825 58 D 4.4306 7.9789 119.2093 54.1326 41.3369 176.8854 59 E 4.3392 8.5499 123.7221 54.8445 32.0143 177.4328 60 K 3.7557 8.5468 120.4524 60.3535 31.9605 178.3822 61 E 4.0020 8.1204 117.8123 59.5948 29.1586 179.4111 62 T 3.8836 7.7334 114.7370 66.5055 68.7910 176.3693 63 L 4.2609 7.9669 120.9783 57.8698 41.7477 179.5334 64 L 4.1512 8.0210 118.7973 57.1750 41.0474 179.4231 65 S 4.1903 7.9134 113.9097 61.1588 62.6948 175.9028 66 H 4.3091 7.8687 118.8031 57.7854 28.5097 176.1425 67 N 4.6258 7.6796 116.5473 52.1736 39.2097 175.1878 68 I 3.6293 6.6275 120.4359 60.3778 38.6558 175.5952 69 F 4.4734 7.7322 120.9939 57.0554 38.4783 174.5475 70 S 4.6729 8.0900 114.7908 57.5456 65.5112 173.4176 71 Q 4.0355 8.7025 117.5652 57.7464 28.9671 175.5446 72 D 4.6908 7.9211 118.9098 52.2757 40.8462 176.6388 73 I 3.9613 8.2990 120.2224 62.3924 37.7374 176.5035 74 L 4.4116 8.2799 120.8896 54.3200 41.9630 176.6223 75 K 3.9161 7.8174 121.8681 55.7984 32.4518 174.7191 76 P 4.5088 0.0000 0.0000 62.8547 32.6704 175.3302 77 I 4.1619 8.0891 122.4638 59.5344 39.1804 174.4208 78 L 4.8792 8.3753 129.2421 54.2523 43.2464 175.4800 79 S 4.9571 9.2899 120.1676 56.9674 67.2204 172.0416 80 W 5.3171 8.7195 128.0529 55.9228 33.8087 174.2882 81 D 4.6572 8.2091 127.4355 52.4508 40.8447 176.5930 82 E 4.2438 8.9956 125.5593 59.4177 30.0143 178.9695 83 V 3.7314 7.9994 118.3130 65.6659 31.7776 177.3851 84 G 3.5407 8.5983 107.7849 46.3471 0.0000 173.2743 85 G 3.9168 8.5861 107.8966 46.0892 0.0000 172.5515 86 H 4.0320 6.0737 112.1667 52.7520 32.2678 171.5797 87 P 4.8622 0.0000 0.0000 62.6448 32.8020 175.6355 88 V 4.6474 8.7843 120.2447 61.2982 34.9664 173.5366 89 L 5.4086 9.0393 130.2142 53.2158 44.3866 175.0034 90 W 5.7845 8.7440 121.9376 55.6426 32.0444 172.8114 91 N 5.2001 8.8288 117.2625 52.1637 40.2612 172.9268 92 R 5.1626 8.4732 117.3977 55.9780 33.1959 173.4165 93 Q 4.7640 8.7373 120.3294 54.3740 32.7524 172.0910 94 P 4.8631 0.0000 0.0000 62.5922 32.2239 177.7126 95 L 4.1645 9.0765 125.2283 57.9090 42.2040 178.2926 96 N 4.7840 8.2090 114.0327 54.1888 37.5416 175.2636 97 S 4.7876 7.5146 112.0159 57.9400 63.5262 174.2878 98 L 4.1579 7.5704 118.9322 55.4654 41.8767 175.8391 99 D 5.1671 9.0085 121.1241 52.0359 44.2802 176.4482 100 N 4.3241 8.9872 117.8240 56.5434 38.8533 175.0558 101 N 4.9300 7.9403 112.4538 52.6504 38.2821 176.2453 102 S 4.1187 8.0448 117.1271 62.3274 62.8101 176.6854 103 L 4.0270 7.7864 120.9670 57.7496 41.3801 178.7402 104 Y 3.9053 7.9967 119.1260 61.0778 38.5913 178.1847 105 T 3.9904 8.2690 115.9496 66.5474 68.5846 176.2102 106 Q 4.0857 7.9514 120.8352 59.0973 29.4269 177.7702 107 L 4.0704 8.0997 121.6360 57.7999 41.9613 179.0050 108 E 3.8277 7.9089 116.9360 56.4568 29.3886 178.1080 *110 L 4.1341 7.8637 120.2594 54.6522 44.0636 179.2017 111 V 3.2445 7.6219 111.8089 64.1484 31.3262 178.2856 112 Q 4.2511 7.7232 121.1091 58.5606 28.9808 178.7288 113 G 3.4940 7.8925 105.9845 47.7324 0.0000 175.3972 114 A 3.8896 7.4608 122.1462 54.7342 18.3332 179.3080 115 E 4.1514 7.9043 117.2806 59.5771 29.3490 179.6757 116 R 4.0781 7.8086 117.2132 58.9995 30.1485 178.7863 117 L 3.9005 7.7835 117.6547 55.9928 41.5826 177.1506 118 Q 3.6343 7.9312 122.2101 56.3501 29.4636 173.7447 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 Y 8.13 4.59 0.00 2.99 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 3 S 8.33 4.62 0.00 4.20 4.04 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 F 9.54 4.22 0.00 3.35 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 5 E 8.29 3.77 0.00 2.10 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 2.43 2.49 0.00 6 Q 8.11 4.04 0.00 2.49 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 7 A 8.19 3.88 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 I 7.44 3.45 1.46 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.27 0.10 0.00 0.00 9 T 7.76 3.75 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 1.21 0.00 0.00 10 Q 8.08 4.01 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 11 L 7.92 4.32 0.00 1.88 1.97 1.01 1.01 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 12 F 8.87 4.11 0.00 3.15 3.31 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 13 Q 8.28 4.14 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 14 Q 8.16 4.08 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 15 L 7.88 4.45 0.00 1.45 1.58 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.65 3.77 0.00 3.97 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 0.00 17 L 8.11 4.68 0.00 1.14 1.32 0.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.60 4.19 0.00 3.87 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 19 I 8.28 4.26 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.78 0.00 0.00 20 P 0.00 4.34 0.00 2.10 2.01 0.00 3.53 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 2.03 2.14 0.00 21 D 8.90 4.43 0.00 2.63 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 22 T 7.64 4.46 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 1.22 0.00 0.00 23 I 8.27 4.00 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 0.90 0.00 0.00 24 E 8.57 4.35 0.00 2.04 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 2.42 2.26 0.00 25 P 0.00 4.07 0.00 2.11 2.23 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 26 V 7.15 4.87 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 0.84 0.00 0.00 0.94 0.00 0.00 27 I 9.34 4.58 2.02 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 1.54 1.08 0.99 0.00 0.00 28 G 8.87 4.48 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 0.00 0.00 0.00 29 V 8.76 4.48 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 0.57 0.00 0.00 0.81 0.00 0.00 30 K 8.62 4.84 0.00 1.74 1.64 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.44 7.81 31 V 8.56 4.25 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 0.99 0.00 0.00 0.84 0.00 0.00 32 G 8.32 3.82 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 0.00 0.00 0.00 33 E 8.80 4.32 0.00 1.72 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 1.62 1.47 0.00 34 F 8.22 4.66 0.00 3.21 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 35 A 8.64 4.66 1.18 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 0.00 0.00 36 C 9.20 4.83 0.00 2.82 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 37 H 8.42 5.27 0.00 1.40 2.67 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.39 4.87 2.02 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 1.15 0.96 1.08 0.00 0.00 39 T 9.11 4.71 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 1.32 0.00 0.00 40 E 7.80 4.88 0.00 1.54 1.56 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 2.33 2.39 0.00 41 H 8.64 4.65 0.00 3.08 3.11 0.00 6.00 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 42 P 0.00 4.47 0.00 2.19 2.05 0.00 3.68 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 43 V 8.12 3.84 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 0.85 0.00 0.00 0.92 0.00 0.00 44 G 10.02 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 0.00 0.00 0.00 45 Q 8.12 5.02 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 46 I 9.08 4.69 1.95 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.23 1.09 0.00 0.00 47 L 9.12 5.20 0.00 1.79 1.78 1.05 0.79 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 *49 F 8.26 5.28 0.00 3.46 3.38 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 50 T 9.11 5.05 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 51 L 8.62 5.14 0.00 1.58 1.60 1.17 0.97 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 52 P 0.00 4.72 0.00 2.27 2.15 0.00 3.98 0.00 0.00 3.84 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 53 S 8.49 4.70 0.00 3.90 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 54 L 8.37 4.43 0.00 1.76 1.68 1.13 1.15 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 55 D 8.40 4.64 0.00 2.71 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 56 N 8.84 4.49 0.00 2.78 2.90 0.00 0.00 7.22 8.00 0.00 0.00 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 N 9.07 4.52 0.00 2.87 2.88 0.00 0.00 7.00 8.56 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 58 D 7.98 4.43 0.00 2.82 2.64 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 59 E 8.55 4.34 0.00 2.00 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 0.00 2.38 2.35 0.00 60 K 8.55 3.76 0.00 1.77 1.81 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 61 E 8.12 4.00 0.00 2.07 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 2.38 2.44 0.00 62 T 7.73 3.88 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 1.31 0.00 0.00 63 L 7.97 4.26 0.00 1.86 1.76 0.94 0.75 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 64 L 8.02 4.15 0.00 1.70 1.71 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.91 4.19 0.00 3.95 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 66 H 7.87 4.31 0.00 3.26 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.68 4.63 0.00 2.85 2.82 0.00 0.00 6.91 7.15 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 68 I 6.63 3.63 1.66 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.25 0.78 0.00 0.00 69 F 7.73 4.47 0.00 3.13 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 70 S 8.09 4.67 0.00 3.94 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 71 Q 8.70 4.04 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 72 D 7.92 4.69 0.00 2.70 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 73 I 8.30 3.96 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.92 0.00 0.00 74 L 8.28 4.41 0.00 1.79 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.82 3.92 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.34 7.81 76 P 0.00 4.51 0.00 2.00 1.95 0.00 3.72 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 1.89 1.90 0.00 77 I 8.09 4.16 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.19 0.78 0.00 0.00 78 L 8.38 4.88 0.00 1.62 1.58 1.00 0.93 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 79 S 9.29 4.96 0.00 4.06 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 0.00 80 W 8.72 5.32 0.00 3.40 2.93 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 0.00 81 D 8.21 4.66 0.00 2.45 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 0.00 0.00 0.00 82 E 9.00 4.24 0.00 2.22 2.24 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 2.33 2.34 0.00 83 V 8.00 3.73 2.16 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 0.78 0.00 0.00 0.92 0.00 0.00 84 G 8.60 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.59 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 86 H 6.07 4.03 0.00 2.87 3.11 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.86 0.00 2.21 2.36 0.00 3.50 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 2.12 2.06 0.00 88 V 8.78 4.65 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 1.06 0.00 0.00 0.85 0.00 0.00 89 L 9.04 5.41 0.00 1.84 1.55 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.74 5.78 0.00 3.61 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 91 N 8.83 5.20 0.00 2.66 2.72 0.00 0.00 5.79 7.66 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 92 R 8.47 5.16 0.00 2.20 2.07 0.00 3.34 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 93 Q 8.74 4.76 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 94 P 0.00 4.86 0.00 2.23 2.04 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 95 L 9.08 4.16 0.00 1.75 1.83 1.06 0.71 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 96 N 8.21 4.78 0.00 2.90 2.97 0.00 0.00 5.80 7.64 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 97 S 7.51 4.79 0.00 4.06 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 L 7.57 4.16 0.00 1.55 1.34 0.70 0.85 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 99 D 9.01 5.17 0.00 2.64 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 0.00 100 N 8.99 4.32 0.00 2.72 2.88 0.00 0.00 6.76 7.79 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 0.00 101 N 7.94 4.93 0.00 2.95 2.94 0.00 0.00 6.26 7.64 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 0.00 102 S 8.04 4.12 0.00 3.76 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 0.00 103 L 7.79 4.03 0.00 1.69 1.72 0.92 0.74 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 0.00 104 Y 8.00 3.91 0.00 3.21 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 0.00 105 T 8.27 3.99 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 1.25 0.00 0.00 106 Q 7.95 4.09 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 107 L 8.10 4.07 0.00 1.77 1.57 0.84 0.96 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 0.00 108 E 7.91 3.83 0.00 1.92 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 2.28 2.24 0.00 *110 L 7.86 4.13 0.00 1.84 1.78 0.94 0.94 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 0.00 111 V 7.62 3.24 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 0.72 0.00 0.00 0.95 0.00 0.00 112 Q 7.72 4.25 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 113 G 7.89 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 0.00 0.00 0.00 114 A 7.46 3.89 0.48 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 0.00 0.00 115 E 7.90 4.15 0.00 2.17 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 2.46 2.43 0.00 116 R 7.81 4.08 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 117 L 7.78 3.90 0.00 1.81 1.73 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.93 3.63 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 * Residues marked with a * may have inaccurate shift predictions.