NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.1186 8.1744 115.2432 61.7668 68.2984 172.8338 6 L 3.3516 8.0441 124.7213 54.0133 40.5950 171.8212 7 D 4.7320 7.6362 121.0212 52.2924 43.9681 175.3917 8 K 3.8670 8.5432 118.6718 60.2122 31.9304 178.8557 9 T 3.8744 7.9128 115.2812 66.9137 68.6813 176.0517 10 D 4.4434 8.1323 120.2192 57.6648 40.7229 179.3858 11 I 3.7666 7.3854 119.6091 64.1464 37.0580 178.3081 12 K 4.0927 7.8601 120.4438 59.1107 31.8146 179.0609 13 I 3.7623 7.7718 120.4562 64.4453 37.0780 178.2781 14 L 3.9726 7.7732 119.3617 57.7614 40.8559 179.6282 15 Q 3.9644 8.4787 118.4112 58.9739 28.6841 179.0796 16 V 3.6700 7.4632 119.1285 66.1942 31.2899 178.1462 17 L 4.0963 8.2246 118.7739 57.7409 41.2128 179.4559 18 Q 3.9974 8.1698 117.4175 58.3002 28.5853 178.0238 19 E 4.3333 7.4990 119.1203 57.4435 31.8033 176.8058 20 N 5.0174 8.0661 115.8932 51.2157 38.1755 175.6945 21 G 4.0275 8.0969 107.8460 48.2580 0.0000 172.4341 22 R 4.5498 7.6763 118.6942 55.4695 30.5389 176.0997 23 L 4.2577 7.6220 119.8332 54.2617 43.2080 176.5902 24 T 3.9239 8.3802 120.2207 62.0099 68.7835 174.2227 25 N 3.9688 8.9551 126.0860 56.9988 38.5705 176.9248 26 V 3.7516 7.5927 119.4027 65.4857 31.9059 177.4641 27 E 4.0573 8.0083 117.9134 59.2458 29.2592 178.6950 28 L 3.9338 8.7063 121.3996 58.6173 41.8170 179.4335 29 S 4.1819 8.8119 114.2937 61.0342 62.5758 176.1649 30 E 3.9950 8.4326 123.7024 59.2854 29.3799 178.6585 31 R 4.0232 7.6741 115.7760 58.0657 30.1671 178.1760 32 V 4.1793 7.6376 109.5581 59.3208 34.0729 174.8803 33 A 3.7190 7.9986 121.4649 52.8359 15.7070 175.8052 34 L 4.8788 8.2293 119.9621 51.4015 46.8423 177.7712 35 S 4.4845 8.2528 115.6854 57.3667 65.0404 173.7177 36 P 4.2469 0.0000 0.0000 65.9875 30.5770 179.0379 37 S 4.0629 7.9420 111.0661 61.1148 62.5986 174.3485 38 P 4.3727 0.0000 0.0000 65.0102 31.1556 178.2846 39 C 4.0909 7.9378 117.7858 62.4510 31.1442 175.3687 40 L 4.0343 8.0033 121.6479 57.7305 41.4643 179.0112 41 R 3.9103 7.5550 118.1029 59.3422 29.9879 178.6934 42 R 3.8719 7.8212 117.3452 59.1053 30.1648 178.4430 43 L 3.9286 7.6876 119.6378 58.3561 42.0250 178.4403 44 K 3.8197 7.6715 118.5427 60.3011 32.0485 178.3573 45 Q 4.0843 8.0395 117.3568 59.0054 28.5386 178.9265 46 L 4.0372 8.2306 120.4207 57.3035 41.4053 178.7991 47 E 4.2963 8.0271 115.8229 58.0009 30.3175 177.8664 48 D 4.4819 8.3853 119.4658 56.9174 40.8613 177.9869 49 A 4.2102 7.9310 121.5002 54.1702 18.6661 178.1480 50 G 4.1143 8.3275 114.4881 46.0705 0.0000 174.0455 51 I 3.6031 7.4907 121.7208 64.3723 37.0293 176.8244 52 V 3.8978 7.1762 126.1358 61.4012 30.0213 175.6299 53 R 4.0984 8.1731 123.7429 57.8104 30.1421 176.8123 54 Q 4.4696 7.1224 115.5786 55.6412 31.5111 171.9443 55 Y 4.5986 8.8306 121.1304 56.1795 39.7566 175.1872 56 A 4.6973 8.3406 126.1347 50.1637 22.5006 174.6457 57 A 4.4178 8.4928 123.2601 51.0160 19.8228 177.0190 58 L 4.4929 8.3932 123.4313 53.2205 42.9472 176.6106 59 L 4.3652 8.1861 123.5303 53.4953 43.5260 176.1529 60 S 4.5322 8.1732 114.7021 56.2939 62.5753 172.5247 61 P 4.2283 0.0000 0.0000 65.9461 31.6181 178.4858 62 E 4.0443 8.5886 117.0757 59.5629 29.5446 179.6916 63 S 4.1459 8.0107 112.0665 61.0272 63.0008 175.3596 64 V 4.0781 7.6844 112.1620 60.8747 31.3826 175.9526 65 N 4.3350 8.2780 116.9943 54.0768 37.7896 173.9088 66 L 4.8124 7.7193 117.4695 53.8466 40.5416 175.9702 67 G 3.7949 8.4004 110.4240 47.4546 0.0000 170.8496 68 L 4.6322 8.2172 123.3644 53.6568 42.9402 175.1585 69 Q 4.0409 8.3059 127.6496 54.9962 31.0364 174.0603 70 A 4.7936 8.1093 125.1708 50.8258 23.4661 175.2657 71 F 4.9545 9.3242 121.4111 55.9547 41.2710 174.8003 72 I 4.6156 8.7917 126.6673 60.1017 38.8668 175.8264 73 R 4.7787 9.5010 128.7265 55.2324 30.3367 176.5550 74 V 4.4675 8.7269 124.8779 62.4278 33.7959 175.0098 75 S 4.8035 8.6054 119.2895 56.9536 66.6540 173.3455 76 I 4.2799 7.8908 126.0385 59.8124 38.9257 175.3968 77 R 4.2527 8.8219 129.7499 55.6710 30.5116 177.8215 78 K 4.2514 8.5829 126.4617 55.4360 30.4130 175.6015 79 A 4.7807 7.3891 124.3365 49.8737 22.1291 176.3001 80 K 4.0131 8.6330 117.4976 59.3927 32.7055 178.6530 81 D 4.7702 7.6289 116.0858 50.7458 39.4555 176.2009 82 A 4.1172 8.1401 123.2218 56.2630 18.3640 179.2532 83 R 3.9886 8.1677 116.0666 59.5103 30.0957 178.9364 84 E 4.0669 7.9938 117.7849 59.3098 29.6982 178.7728 85 D 4.3410 8.0545 118.3047 57.3500 41.0152 178.3099 86 F 3.7885 8.4765 121.0430 61.1982 39.3057 176.7754 87 A 3.6072 7.5672 118.6924 55.2280 17.9576 179.4818 88 A 3.7934 7.6323 117.5764 55.1929 18.5848 179.7972 89 S 3.6442 8.0082 114.0052 61.5775 62.3303 177.1414 90 V 2.6924 6.8785 120.9081 65.5711 30.8149 178.1261 91 R 3.9094 7.1507 116.3953 58.2649 29.9563 178.2045 92 K 4.3868 7.5305 116.9776 56.1116 32.6014 176.7465 93 W 4.9153 7.2860 119.7934 54.6991 28.6625 175.3632 94 P 4.3896 0.0000 0.0000 65.0213 31.4051 177.7962 95 E 3.6548 8.2402 116.9469 57.9493 29.5564 176.0916 96 V 4.3687 7.1895 119.0098 61.0572 31.3684 175.0622 97 L 4.3208 8.3798 128.5162 57.1145 42.1143 177.9831 98 S 4.7258 7.9266 111.5053 56.6928 66.9290 172.7009 99 C 5.3281 7.9863 120.5952 58.1599 34.6398 172.9215 100 F 4.9709 9.7654 124.4783 55.5586 42.5346 174.0707 101 A 4.5898 8.8138 125.4343 50.9260 18.4128 176.5694 102 L 4.8024 8.2749 121.3728 53.7445 44.5375 176.8030 103 T 4.1196 8.2710 111.1049 61.5797 68.7560 174.7032 104 G 3.8297 8.3836 107.2259 44.3479 0.0000 173.5254 105 E 4.2143 8.5806 116.8196 59.4271 29.6657 177.8244 106 T 4.2425 7.1458 114.5121 63.3064 69.2417 174.2414 107 D 4.5072 8.9518 126.7706 57.1923 41.9900 175.8219 108 Y 5.1134 8.1027 115.0811 56.0012 42.5716 174.1109 109 L 5.4563 9.5928 123.5310 53.4205 45.5599 175.0446 110 L 5.3757 9.2520 125.8249 52.9869 45.3244 175.0224 111 Q 4.5447 8.8105 124.1288 54.1783 31.2916 174.1101 112 A 5.0463 8.7447 127.2330 50.3895 23.1640 174.4407 113 F 4.9773 8.2997 117.6911 55.8249 42.3115 174.7504 114 F 5.0156 9.0560 119.6040 56.4543 44.0736 175.8577 115 T 4.4045 9.2768 109.9901 64.8173 69.6339 174.7204 116 D 4.7527 8.2229 121.4099 53.3494 43.9416 176.0477 *118 N 4.5581 9.6882 114.3515 53.1383 41.1799 175.8090 119 A 4.0470 9.3663 120.8852 55.4308 18.2639 179.0690 120 F 2.8134 7.9645 118.6593 61.3748 39.2913 177.0849 121 S 4.0311 8.2172 111.8366 61.7940 62.1592 175.3958 122 H 4.1113 8.4253 120.9418 59.2369 29.5277 176.8946 123 F 3.6991 7.8756 122.2016 61.1090 39.1768 176.9354 124 V 3.1758 7.4689 118.0371 66.2184 31.0713 178.0917 125 L 3.9477 7.7361 116.7548 56.5893 41.6088 178.0290 126 D 4.7969 7.6289 115.9262 54.0879 42.1375 176.3063 127 T 4.0296 7.2269 113.5010 64.8855 70.0168 175.0353 128 L 3.6528 6.3046 122.4184 57.9937 42.4132 178.8899 129 L 4.1083 8.0424 119.6636 57.4217 41.8839 179.0899 130 S 4.2232 7.8103 113.6973 60.8852 63.1128 174.2831 131 H 4.2099 7.8912 120.6961 56.1638 30.0226 175.7337 132 H 4.2446 8.6581 122.4197 58.6705 28.7686 176.8407 133 G 3.7724 8.3040 107.2460 48.7646 0.0000 173.9648 134 V 3.7538 7.5044 121.2074 63.1381 31.0779 175.7646 135 Q 4.3366 9.0047 130.2260 58.1891 30.6901 174.6647 136 D 4.6641 7.5750 115.0198 53.2671 44.7116 174.1290 137 A 5.3682 8.5095 125.1673 50.1837 22.3546 175.5120 138 Q 4.7668 9.1589 119.7973 54.2984 31.7536 174.4012 139 S 5.2102 8.9577 117.5722 56.5855 65.7799 173.3640 140 S 5.0198 8.8383 118.7106 56.7729 66.4595 172.8793 141 F 5.1055 8.5179 118.5968 55.6843 42.7522 175.8436 142 V 3.8228 8.4720 122.5230 62.4268 30.1163 175.7861 143 L 4.1670 8.5017 128.2374 57.2104 41.9341 178.0564 144 K 4.4078 7.5816 115.9722 55.3373 34.8026 174.8829 145 E 4.4604 8.4707 127.1545 54.4741 28.6076 175.2264 146 I 3.8860 8.1156 126.3369 63.6832 37.6502 176.9434 147 K 4.4083 7.6503 117.4281 55.7947 34.7352 174.3291 148 H 4.5896 8.5253 125.1853 55.7878 31.5259 172.3732 149 T 4.6254 8.0839 121.1153 60.4043 70.1992 173.6364 150 T 4.1709 8.3605 115.9960 62.5069 69.6314 174.7994 151 S 4.3839 7.6837 119.8942 57.8872 63.4285 174.2244 152 L 4.3546 8.4516 125.4875 53.3379 42.4436 174.8461 153 P 4.5739 0.0000 0.0000 62.8343 32.1978 176.1582 154 L 4.7122 8.2155 117.1803 54.0823 44.0560 178.0373 155 N 4.2791 8.2865 117.5480 56.3930 38.5765 176.3981 156 H 4.3767 8.2181 111.9231 57.3587 28.6511 175.6845 157 L 4.3938 7.6760 119.4112 54.6414 41.9856 176.5276 158 L 4.2932 7.7438 124.7065 54.7827 41.7598 176.1623 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 5 T 8.17 4.12 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 1.21 0.00 0.00 6 L 8.04 3.35 0.00 1.80 1.81 0.91 0.91 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 7 D 7.64 4.73 0.00 2.98 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 8 K 8.54 3.87 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.48 7.81 9 T 7.91 3.87 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 1.21 0.00 0.00 10 D 8.13 4.44 0.00 2.83 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 11 I 7.39 3.77 1.97 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 0.81 0.88 0.00 0.00 12 K 7.86 4.09 0.00 1.82 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 I 7.77 3.76 2.08 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 1.53 0.68 0.94 0.00 0.00 14 L 7.77 3.97 0.00 1.86 1.70 0.90 0.78 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 15 Q 8.48 3.96 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 16 V 7.46 3.67 2.29 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 1.05 0.00 0.00 0.99 0.00 0.00 17 L 8.22 4.10 0.00 1.79 1.76 1.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.17 4.00 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 19 E 7.50 4.33 0.00 2.12 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 2.39 2.53 0.00 20 N 8.07 5.02 0.00 2.74 2.75 0.00 0.00 6.93 7.14 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 21 G 8.10 4.03 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 22 R 7.68 4.55 0.00 1.81 1.93 0.00 3.20 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 23 L 7.62 4.26 0.00 1.93 1.58 0.96 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 24 T 8.38 3.92 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 1.25 0.00 0.00 25 N 8.96 3.97 0.00 2.85 2.81 0.00 0.00 6.84 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 26 V 7.59 3.75 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 1.07 0.00 0.00 0.92 0.00 0.00 27 E 8.01 4.06 0.00 2.23 1.98 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 2.33 2.31 0.00 28 L 8.71 3.93 0.00 1.72 1.84 0.94 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.81 4.18 0.00 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 0.00 30 E 8.43 3.99 0.00 2.03 2.25 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 2.30 2.34 0.00 31 R 7.67 4.02 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 32 V 7.64 4.18 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 0.84 0.00 0.00 0.96 0.00 0.00 33 A 8.00 3.72 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 34 L 8.23 4.88 0.00 1.71 1.53 0.93 0.71 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 35 S 8.25 4.48 0.00 3.86 3.77 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 36 P 0.00 4.25 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 37 S 7.94 4.06 0.00 3.88 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 38 P 0.00 4.37 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 39 C 7.94 4.09 0.00 3.17 3.12 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 0.00 0.00 0.00 40 L 8.00 4.03 0.00 1.94 1.65 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.56 3.91 0.00 2.06 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 R 7.82 3.87 0.00 2.06 2.12 0.00 3.35 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 43 L 7.69 3.93 0.00 1.76 1.71 0.99 0.72 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 44 K 7.67 3.82 0.00 2.03 2.09 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.69 7.81 45 Q 8.04 4.08 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 46 L 8.23 4.04 0.00 1.91 1.73 1.01 0.91 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 47 E 8.03 4.30 0.00 2.20 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 0.00 2.60 2.43 0.00 48 D 8.39 4.48 0.00 2.74 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 49 A 7.93 4.21 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 50 G 8.33 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 0.00 0.00 0.00 51 I 7.49 3.60 2.11 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 1.29 0.44 0.89 0.00 0.00 52 V 7.18 3.90 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 0.27 0.00 0.00 0.83 0.00 0.00 53 R 8.17 4.10 0.00 1.94 2.02 0.00 3.11 0.00 0.00 3.14 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 54 Q 7.12 4.47 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 55 Y 8.83 4.60 0.00 2.94 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 56 A 8.34 4.70 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 57 A 8.49 4.42 1.25 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 0.00 0.00 58 L 8.39 4.49 0.00 1.65 1.62 0.94 1.01 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 59 L 8.19 4.37 0.00 1.55 1.55 0.88 0.88 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 60 S 8.17 4.53 0.00 3.85 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 61 P 0.00 4.23 0.00 2.39 2.34 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.91 0.00 62 E 8.59 4.04 0.00 2.10 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 2.45 2.44 0.00 63 S 8.01 4.15 0.00 4.00 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 64 V 7.68 4.08 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 0.65 0.00 0.00 0.97 0.00 0.00 65 N 8.28 4.34 0.00 3.02 2.94 0.00 0.00 7.18 5.96 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 66 L 7.72 4.81 0.00 1.81 1.84 0.88 1.01 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 67 G 8.40 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 68 L 8.22 4.63 0.00 1.91 1.82 0.86 0.72 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 69 Q 8.31 4.04 0.00 1.43 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.21 1.34 0.00 70 A 8.11 4.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.32 4.95 0.00 2.79 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 72 I 8.79 4.62 2.06 0.00 0.00 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 1.49 0.96 1.07 0.00 0.00 73 R 9.50 4.78 0.00 1.79 1.98 0.00 3.15 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 74 V 8.73 4.47 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 0.62 0.00 0.00 1.15 0.00 0.00 75 S 8.61 4.80 0.00 3.89 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 76 I 7.89 4.28 1.94 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 1.00 0.00 0.00 77 R 8.82 4.25 0.00 1.86 1.90 0.00 3.18 0.00 0.00 3.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 78 K 8.58 4.25 0.00 1.78 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.51 7.81 79 A 7.39 4.78 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 80 K 8.63 4.01 0.00 1.73 1.87 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.46 7.81 81 D 7.63 4.77 0.00 2.87 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 82 A 8.14 4.12 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 83 R 8.17 3.99 0.00 1.95 2.18 0.00 3.17 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 84 E 7.99 4.07 0.00 2.15 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 2.36 2.51 0.00 85 D 8.05 4.34 0.00 2.85 2.80 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 0.00 0.00 0.00 86 F 8.48 3.79 0.00 2.92 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 87 A 7.57 3.61 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 88 A 7.63 3.79 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 89 S 8.01 3.64 0.00 2.94 3.16 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 0.00 90 V 6.88 2.69 1.51 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 0.86 0.00 0.00 -0.36 0.00 0.00 91 R 7.15 3.91 0.00 1.62 1.83 0.00 3.11 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 92 K 7.53 4.39 0.00 1.57 1.81 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 93 W 7.29 4.92 0.00 3.52 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 94 P 0.00 4.39 0.00 2.16 2.20 0.00 3.94 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 95 E 8.24 3.65 0.00 1.38 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 2.07 1.47 0.00 96 V 7.19 4.37 2.22 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 0.89 0.00 0.00 1.06 0.00 0.00 97 L 8.38 4.32 0.00 1.59 1.68 0.82 0.51 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 98 S 7.93 4.73 0.00 3.85 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 99 C 7.99 5.33 0.00 2.94 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 0.00 100 F 9.77 4.97 0.00 2.99 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 0.00 101 A 8.81 4.59 0.95 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 0.00 0.00 102 L 8.27 4.80 0.00 1.54 1.60 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.27 4.12 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 1.20 0.00 0.00 104 G 8.38 3.83 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 0.00 0.00 0.00 105 E 8.58 4.21 0.00 1.98 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 2.32 2.34 0.00 106 T 7.15 4.24 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 1.33 0.00 0.00 107 D 8.95 4.51 0.00 2.72 2.72 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 0.00 108 Y 8.10 5.11 0.00 2.87 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 0.00 109 L 9.59 5.46 0.00 1.83 1.70 1.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.25 5.38 0.00 1.95 1.64 1.23 1.13 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 0.00 111 Q 8.81 4.54 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 112 A 8.74 5.05 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 0.00 113 F 8.30 4.98 0.00 2.61 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 0.00 114 F 9.06 5.02 0.00 3.05 2.99 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 0.00 115 T 9.28 4.40 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 1.33 0.00 0.00 116 D 8.22 4.75 0.00 2.78 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 0.00 0.00 0.00 0.00 *118 N 9.69 4.56 0.00 3.00 2.96 0.00 0.00 6.67 7.61 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 0.00 119 A 9.37 4.05 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.96 2.81 0.00 2.85 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 0.00 121 S 8.22 4.03 0.00 3.99 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 0.00 122 H 8.43 4.11 0.00 3.23 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.88 3.70 0.00 3.03 2.72 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 0.00 124 V 7.47 3.18 1.78 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 0.98 0.00 0.00 0.08 0.00 0.00 125 L 7.74 3.95 0.00 1.66 1.65 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.63 4.80 0.00 2.59 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 0.00 127 T 7.23 4.03 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 0.06 0.00 0.00 128 L 6.30 3.65 0.00 0.88 1.49 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.04 4.11 0.00 1.58 1.67 0.88 1.02 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 0.00 130 S 7.81 4.22 0.00 3.87 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 0.00 131 H 7.89 4.21 0.00 3.59 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.66 4.24 0.00 3.28 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.30 3.77 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 0.00 0.00 0.00 134 V 7.50 3.75 2.14 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 0.69 0.00 0.00 0.95 0.00 0.00 135 Q 9.00 4.34 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 136 D 7.58 4.66 0.00 2.80 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 0.00 137 A 8.51 5.37 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 0.00 138 Q 9.16 4.77 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 139 S 8.96 5.21 0.00 3.62 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 0.00 140 S 8.84 5.02 0.00 3.73 3.77 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 0.00 141 F 8.52 5.11 0.00 2.77 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 0.00 142 V 8.47 3.82 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 0.79 0.00 0.00 1.08 0.00 0.00 143 L 8.50 4.17 0.00 1.68 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.58 4.41 0.00 1.67 1.62 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 145 E 8.47 4.46 0.00 2.01 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 2.27 2.38 0.00 146 I 8.12 3.89 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 1.30 0.91 0.91 0.00 0.00 147 K 7.65 4.41 0.00 1.68 1.64 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 148 H 8.53 4.59 0.00 3.17 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.08 4.63 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 1.23 0.00 0.00 150 T 8.36 4.17 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 1.20 0.00 0.00 151 S 7.68 4.38 0.00 3.91 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 0.00 152 L 8.45 4.35 0.00 1.62 1.60 1.00 1.10 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 0.00 153 P 0.00 4.57 0.00 2.21 2.05 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 154 L 8.22 4.71 0.00 1.64 1.59 0.91 0.70 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 0.00 155 N 8.29 4.28 0.00 2.84 2.88 0.00 0.00 6.85 8.16 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 0.00 156 H 8.22 4.38 0.00 3.26 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.68 4.39 0.00 1.64 1.67 0.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.74 4.29 0.00 1.74 1.54 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.