NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4226 8.2985 121.7433 56.0006 31.1988 174.5501 3 A 4.5262 8.7479 129.3839 50.9462 19.4700 171.0076 4 V 4.3489 8.8106 122.3948 61.1304 33.7086 173.5756 5 K 4.8651 8.5237 128.0333 55.1252 34.8101 175.1119 6 T 4.6743 9.5527 121.5683 60.7135 70.5175 172.7883 7 D 4.7366 8.6372 125.5809 53.6381 39.7480 177.0126 8 R 4.2904 7.9420 117.6130 56.8008 30.3945 175.8128 9 A 4.7364 7.3909 119.4988 49.3799 22.3454 174.1967 10 P 4.2129 0.0000 0.0000 62.7503 31.8154 176.8524 11 A 3.9622 8.4672 125.3748 51.9642 18.9018 177.2310 12 A 4.0451 8.1772 123.4965 51.1750 17.6702 178.0143 13 I 4.0665 9.3888 124.3509 60.6776 36.2773 176.7143 14 G 3.9842 7.5892 111.8966 43.6640 0.0000 168.5454 15 P 4.6533 0.0000 0.0000 61.3046 30.2797 174.8395 16 Y 4.7846 7.0059 115.1165 56.7270 41.0414 173.7868 17 A 4.6522 8.2911 123.3977 50.2126 21.8066 176.7965 18 Q 4.4482 8.6560 119.0570 59.2410 29.8616 176.5455 19 A 5.1605 7.7187 117.5723 51.0648 23.1953 175.2768 20 V 4.8966 9.1038 118.9312 61.2454 35.1320 174.3077 21 K 5.1460 9.0850 127.7883 55.1806 33.2859 176.0937 22 A 4.4961 9.8127 126.0497 52.5328 22.4256 176.1025 23 G 4.2652 10.1270 108.9471 46.5758 0.0000 174.6373 24 G 3.7441 8.6204 105.8995 44.7016 0.0000 173.1339 25 F 5.3017 8.2443 117.6062 55.3424 43.7774 173.9666 26 V 4.7343 8.9742 119.5805 61.3741 34.1678 174.1299 27 F 4.8568 9.6443 127.8830 56.1274 40.6175 174.9122 28 V 4.7862 8.6533 125.1057 61.0848 33.1091 175.7130 29 S 4.4859 9.1268 124.7305 58.1928 63.7981 174.4461 30 G 3.8531 8.5156 109.3616 46.4792 0.0000 172.8702 31 Q 4.8912 9.4244 125.5918 54.5728 30.8748 174.9618 32 I 5.0325 8.1332 115.5734 57.2860 41.1508 174.1052 33 P 4.7134 0.0000 0.0000 62.8169 28.6754 175.6975 34 L 4.9570 7.5266 118.6598 53.4531 44.6319 177.1372 35 A 4.4051 8.9565 125.6214 50.7239 19.3919 176.8454 36 P 4.3398 0.0000 0.0000 65.7470 31.3593 177.6014 37 D 4.5040 8.0208 114.6577 53.7083 39.4837 177.0949 38 G 3.9854 8.5010 109.6217 45.3461 0.0000 174.0883 39 S 4.5037 8.5169 116.9348 57.7606 64.3135 173.5311 40 L 4.3180 8.4356 125.7251 55.0958 42.8633 176.3699 41 V 4.1164 8.4937 126.9613 61.6732 31.8056 175.4104 42 E 4.2054 8.8788 128.3467 55.0824 30.2285 177.3248 43 G 4.0663 8.1237 109.7199 44.1420 0.0000 171.5701 44 D 4.6892 7.8427 120.2874 52.5587 41.9124 176.3618 45 I 3.7035 8.2913 117.8295 64.3104 37.7170 177.6625 46 R 3.9095 8.0642 118.9938 59.5515 30.0807 178.4376 47 V 3.7787 8.4769 118.3295 66.2938 31.5016 178.0467 48 Q 4.0733 8.3653 117.7981 59.2178 28.3378 178.7404 49 T 4.0474 8.2378 116.4407 66.6262 68.5514 176.2292 50 E 4.0000 8.2689 119.9425 59.3944 29.7721 179.0784 51 R 4.0827 7.8834 118.2952 59.1785 30.0136 179.1730 52 V 3.5121 7.6270 115.4877 63.6361 31.2702 177.3203 *54 E 4.2743 8.1804 118.7374 56.0084 31.6562 178.0889 55 N 4.3482 8.1128 116.2363 56.1087 38.4551 177.3802 56 L 3.9968 8.0952 120.5988 57.7056 41.7172 179.3316 57 K 3.8373 8.0517 118.6723 59.5978 32.1001 178.3313 58 A 3.9785 8.2200 121.0449 55.2369 18.1772 179.8404 59 V 3.5741 8.0081 116.7807 66.0268 31.5336 178.2306 60 L 4.0334 8.3174 119.1714 58.0301 41.5244 179.4661 61 E 4.2863 8.7530 119.7016 58.7347 29.1629 179.1438 62 A 4.1247 7.9946 119.5769 54.1175 18.5304 178.4374 63 A 4.4189 7.5494 117.5721 51.9341 19.1872 178.0913 64 G 3.8943 8.0137 105.7469 45.3648 0.0000 174.0132 65 S 4.9101 7.6691 115.9591 58.4636 64.1876 172.4523 66 G 4.0032 8.0074 105.5320 45.1924 0.0000 174.1048 67 L 4.1390 8.1711 119.1770 57.7799 41.5842 179.9857 68 S 4.3736 8.0818 111.1817 60.2580 63.2162 174.7123 69 R 4.4051 7.9246 119.7429 55.8992 30.4711 176.0906 70 V 4.1558 7.7294 119.6884 63.0575 31.9735 175.8246 71 V 4.3892 8.5800 119.3781 61.7330 34.1517 175.3432 72 Q 5.1194 7.7099 121.1068 55.0175 32.6097 173.0240 73 T 5.1711 8.9174 115.6679 60.1958 72.8579 172.8846 74 T 4.7657 9.0237 119.8146 62.1658 71.8145 172.5735 75 C 5.1526 8.8123 125.0047 57.7460 31.2355 173.1034 76 F 5.2972 9.2740 122.3142 55.6267 41.7006 174.4108 77 L 5.2591 8.8422 122.4173 52.7694 44.8808 177.5108 78 A 4.0408 8.6980 123.1739 54.3596 18.8152 177.7216 79 D 3.9605 7.7094 116.3451 53.7185 43.5443 176.3545 *81 E 4.1755 8.7286 115.3901 55.9053 31.4620 176.5724 82 D 4.6138 7.9883 118.9057 55.2188 40.9807 178.0786 83 F 4.6018 7.9216 119.1412 60.3864 39.0639 175.3828 84 P 4.4268 0.0000 0.0000 65.7584 31.1098 178.9796 85 G 3.6862 8.1554 103.9733 47.5997 0.0000 175.3374 86 F 4.3176 8.6341 123.1368 61.3646 39.3930 177.0154 87 N 4.0845 8.7421 116.5327 56.0457 38.0421 176.9368 88 E 3.9256 7.8862 119.6943 59.3507 30.0685 178.8997 89 V 3.8088 7.5558 118.2590 66.0661 31.7591 177.0747 90 Y 3.9302 8.0102 119.3647 60.9146 38.3123 178.2553 91 A 4.3450 8.2651 119.8573 54.7801 18.4953 179.2628 92 R 4.0792 7.9659 115.9399 58.6414 30.3079 177.7282 93 Y 3.9546 7.9552 114.7631 57.5181 38.8234 175.4905 94 F 5.0553 7.5903 117.8501 55.6241 41.5918 174.7549 95 T 4.6394 8.2604 113.5061 58.5771 71.7278 171.8498 96 P 3.7941 0.0000 0.0000 62.3066 31.7179 174.4669 97 P 4.3072 0.0000 0.0000 62.5240 32.0296 175.9579 98 Y 4.5289 8.1708 120.1739 57.0394 38.6723 173.4496 99 P 4.6358 0.0000 0.0000 62.1505 32.6286 176.0526 100 A 4.3446 8.7271 123.3302 52.3528 19.6537 176.6421 101 R 5.1016 8.1541 117.9246 54.9687 33.6026 173.9956 102 A 4.6968 8.5101 125.1724 50.4073 22.2692 175.2076 103 T 4.8186 8.1580 117.5459 61.8966 72.3537 173.7177 104 V 4.6878 8.4216 117.3590 59.9179 36.9143 173.4861 105 A 5.2149 8.6860 123.6210 50.5421 20.8409 176.3484 106 V 4.4025 8.5137 115.2239 59.0994 35.0757 176.2815 107 K 3.9798 8.8459 121.7134 58.9600 32.1703 176.2993 108 A 4.6534 7.4755 118.9150 50.7672 22.2438 175.0632 109 L 4.7408 8.0838 119.7681 51.6511 45.0923 174.4320 110 P 4.3699 0.0000 0.0000 64.6286 31.6158 177.0518 111 R 3.5903 9.4995 118.4379 56.5983 27.8161 176.5663 112 G 3.8698 8.1504 104.3028 46.4974 0.0000 174.9493 113 V 3.9115 7.5798 112.8869 61.0775 32.2903 176.3635 114 R 4.6564 8.3367 116.0915 56.4113 30.7115 176.0220 115 V 5.0681 7.3913 118.2031 60.8713 34.3280 173.0780 116 E 5.0036 9.3688 124.0275 54.8069 33.5187 173.9260 117 V 4.9121 9.0476 125.7445 61.2367 34.9687 174.0918 118 A 5.3267 8.9962 128.9275 50.7445 22.7273 174.2316 119 C 5.0999 8.3985 112.7391 57.6635 33.8826 172.8794 120 V 4.7711 8.9972 118.7448 61.1059 34.3326 174.0891 121 A 5.2736 8.8857 128.0700 49.9523 23.1576 174.8879 122 L 4.2927 8.7669 119.4704 54.6161 42.5762 177.9658 123 A 4.2477 8.2139 124.5583 52.0923 20.7005 177.6393 124 E 4.0375 8.6818 115.6507 57.2921 29.7952 174.8498 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 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 2.30 2.35 0.00 3 A 8.75 4.53 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 4 V 8.81 4.35 2.21 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 0.79 0.00 0.00 1.01 0.00 0.00 5 K 8.52 4.87 0.00 1.73 1.61 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.40 7.81 6 T 9.55 4.67 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 1.26 0.00 0.00 7 D 8.64 4.74 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.29 0.00 1.85 2.02 0.00 3.13 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 A 7.39 4.74 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 10 P 0.00 4.21 0.00 2.10 2.07 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 11 A 8.47 3.96 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 12 A 8.18 4.05 0.66 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 13 I 9.39 4.07 1.93 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 1.34 0.85 0.93 0.00 0.00 14 G 7.59 3.98 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 0.00 0.00 0.00 15 P 0.00 4.65 0.00 2.24 2.15 0.00 3.94 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 2.10 2.00 0.00 16 Y 7.01 4.78 0.00 3.20 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 17 A 8.29 4.65 1.32 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 0.00 0.00 18 Q 8.66 4.45 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 19 A 7.72 5.16 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 20 V 9.10 4.90 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 0.91 0.00 0.00 1.00 0.00 0.00 21 K 9.08 5.15 0.00 1.70 1.79 0.00 1.90 0.00 0.00 1.89 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 A 9.81 4.50 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 23 G 10.13 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 24 G 8.62 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 0.00 0.00 0.00 25 F 8.24 5.30 0.00 2.82 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 26 V 8.97 4.73 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 1.12 0.00 0.00 0.95 0.00 0.00 27 F 9.64 4.86 0.00 3.01 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 28 V 8.65 4.79 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 1.09 0.00 0.00 1.00 0.00 0.00 29 S 9.13 4.49 0.00 3.99 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 30 G 8.52 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 31 Q 9.42 4.89 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 32 I 8.13 5.03 1.89 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 1.42 0.69 0.90 0.00 0.00 33 P 0.00 4.71 0.00 2.16 2.49 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 34 L 7.53 4.96 0.00 1.66 1.63 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.96 4.41 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 36 P 0.00 4.34 0.00 2.06 2.34 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 37 D 8.02 4.50 0.00 2.79 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 38 G 8.50 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 0.00 0.00 0.00 39 S 8.52 4.50 0.00 3.89 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 40 L 8.44 4.32 0.00 1.65 1.57 1.00 0.93 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 41 V 8.49 4.12 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 0.83 0.00 0.00 0.95 0.00 0.00 42 E 8.88 4.21 0.00 2.01 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 2.32 2.31 0.00 43 G 8.12 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 44 D 7.84 4.69 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 45 I 8.29 3.70 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.98 0.00 0.00 46 R 8.06 3.91 0.00 1.97 2.14 0.00 3.28 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 47 V 8.48 3.78 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 1.00 0.00 0.00 1.01 0.00 0.00 48 Q 8.37 4.07 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 49 T 8.24 4.05 4.47 0.00 0.00 0.00 0.00 0.00 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 50 E 8.27 4.00 0.00 2.12 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 0.00 2.47 2.65 0.00 51 R 7.88 4.08 0.00 1.94 2.12 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 52 V 7.63 3.51 2.30 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 1.20 0.00 0.00 1.04 0.00 0.00 *54 E 8.18 4.27 0.00 2.20 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 0.00 2.54 2.35 0.00 55 N 8.11 4.35 0.00 2.93 2.89 0.00 0.00 6.97 6.90 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 56 L 8.10 4.00 0.00 1.64 1.76 1.05 1.16 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 57 K 8.05 3.84 0.00 1.83 2.01 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.52 7.81 58 A 8.22 3.98 1.40 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 59 V 8.01 3.57 2.13 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 1.08 0.00 0.00 1.04 0.00 0.00 60 L 8.32 4.03 0.00 1.94 1.82 1.03 0.87 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 61 E 8.75 4.29 0.00 2.02 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 2.33 2.37 0.00 62 A 7.99 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.42 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 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 65 S 7.67 4.91 0.00 3.83 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 66 G 8.01 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 0.00 0.00 0.00 0.00 67 L 8.17 4.14 0.00 1.64 1.48 0.89 0.53 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 68 S 8.08 4.37 0.00 4.00 4.01 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 69 R 7.92 4.41 0.00 2.07 2.10 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 70 V 7.73 4.16 2.33 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 0.72 0.00 0.00 1.27 0.00 0.00 71 V 8.58 4.39 2.13 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 0.75 0.00 0.00 1.05 0.00 0.00 72 Q 7.71 5.12 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 73 T 8.92 5.17 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 1.10 0.00 0.00 74 T 9.02 4.77 4.30 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 0.97 0.00 0.00 75 C 8.81 5.15 0.00 2.50 2.43 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 76 F 9.27 5.30 0.00 2.91 2.89 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 77 L 8.84 5.26 0.00 1.64 1.49 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.70 4.04 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 79 D 7.71 3.96 0.00 2.62 2.48 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 *81 E 8.73 4.18 0.00 2.06 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 2.16 2.33 0.00 82 D 7.99 4.61 0.00 2.77 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 83 F 7.92 4.60 0.00 3.03 3.02 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 84 P 0.00 4.43 0.00 2.21 2.16 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 85 G 8.16 3.69 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 0.00 86 F 8.63 4.32 0.00 3.19 3.44 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 87 N 8.74 4.08 0.00 2.91 2.80 0.00 0.00 6.70 7.20 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 88 E 7.89 3.93 0.00 2.15 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 2.36 2.35 0.00 89 V 7.56 3.81 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 1.04 0.00 0.00 1.11 0.00 0.00 90 Y 8.01 3.93 0.00 2.45 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 91 A 8.27 4.35 1.45 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 92 R 7.97 4.08 0.00 2.05 1.84 0.00 3.18 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 93 Y 7.96 3.95 0.00 2.52 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.59 5.06 0.00 3.07 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 95 T 8.26 4.64 4.15 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 1.21 0.00 0.00 96 P 0.00 3.79 0.00 1.85 1.81 0.00 3.41 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.18 0.00 97 P 0.00 4.31 0.00 2.17 2.03 0.00 3.72 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 1.97 1.97 0.00 98 Y 8.17 4.53 0.00 3.03 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 99 P 0.00 4.64 0.00 1.73 1.98 0.00 3.56 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 0.90 2.02 0.00 100 A 8.73 4.34 1.24 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 0.00 0.00 101 R 8.15 5.10 0.00 1.66 1.58 0.00 2.69 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 102 A 8.51 4.70 1.07 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 0.00 103 T 8.16 4.82 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 0.61 0.00 0.00 104 V 8.42 4.69 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 0.57 0.00 0.00 0.87 0.00 0.00 105 A 8.69 5.21 1.14 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 0.00 0.00 106 V 8.51 4.40 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 0.88 0.00 0.00 1.07 0.00 0.00 107 K 8.85 3.98 0.00 1.68 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.49 7.81 108 A 7.48 4.65 1.17 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 0.00 0.00 109 L 8.08 4.74 0.00 1.82 1.50 0.99 0.96 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 0.00 110 P 0.00 4.37 0.00 2.12 1.94 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 111 R 9.50 3.59 0.00 1.95 2.01 0.00 3.48 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 112 G 8.15 3.87 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 0.00 0.00 0.00 113 V 7.58 3.91 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 0.79 0.00 0.00 1.06 0.00 0.00 114 R 8.34 4.66 0.00 1.89 2.16 0.00 3.10 0.00 0.00 3.42 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 115 V 7.39 5.07 2.13 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 0.72 0.00 0.00 1.04 0.00 0.00 116 E 9.37 5.00 0.00 2.02 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 2.27 2.38 0.00 117 V 9.05 4.91 2.27 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 1.19 0.00 0.00 1.27 0.00 0.00 118 A 9.00 5.33 1.40 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 0.00 119 C 8.40 5.10 0.00 3.17 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 0.00 120 V 9.00 4.77 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 0.40 0.00 0.00 0.92 0.00 0.00 121 A 8.89 5.27 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 0.00 122 L 8.77 4.29 0.00 1.49 1.48 0.89 0.37 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 0.00 123 A 8.21 4.25 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 0.00 124 E 8.68 4.04 0.00 2.03 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 2.19 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.