NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9281 8.2127 109.7353 45.3792 0.0000 173.5374 0 S 3.9036 8.7256 112.8557 61.0154 62.2443 174.7172 1 R 4.1501 7.8192 117.7533 57.8021 30.9851 176.0906 2 D 4.9333 7.7071 117.2004 52.7050 39.6690 176.3664 3 S 4.4032 7.8684 113.6707 57.6102 63.9507 171.9140 4 P 4.3342 0.0000 0.0000 62.4420 31.6325 176.2231 5 E 4.0400 8.3972 122.2114 56.0136 30.3328 175.6394 6 D 4.5705 7.8397 123.3734 52.5672 44.3570 174.1271 7 F 4.7200 8.7754 124.5686 55.5757 41.3010 174.6645 8 V 4.6119 8.1985 125.0328 61.1666 34.2456 173.3903 9 Y 5.3292 8.7830 127.4182 56.0411 41.7774 174.4357 10 Q 4.7792 8.6201 123.7221 54.1397 33.4706 173.9202 11 F 5.1533 8.8848 124.2483 56.4532 42.3585 173.7628 12 K 4.0615 8.4484 126.2701 54.3932 34.5625 175.5981 13 G 3.9861 8.1347 113.3344 44.9853 0.0000 172.2651 14 M 4.7931 8.6475 126.3200 53.0977 35.4207 174.5566 15 C 5.1355 8.2903 118.5085 55.1726 43.9883 172.8999 16 Y 4.5071 8.9442 120.9767 56.1290 40.4091 174.5287 17 F 5.5715 8.8856 122.7990 56.0659 41.8345 175.1330 18 T 4.6099 8.6465 118.7430 62.4166 73.1019 173.1738 19 N 4.2951 9.5439 120.1146 54.8923 37.0478 175.1946 20 G 3.8549 7.5019 113.4363 47.4271 0.0000 173.6909 21 T 4.0435 8.5673 120.7590 62.7462 69.1151 174.6975 22 E 4.0445 8.2628 123.3847 58.8639 29.9087 176.8692 23 R 4.7333 8.0017 117.4664 54.2402 32.9310 174.9880 24 V 4.9566 8.3370 122.7441 61.2409 34.7979 174.3523 25 R 4.8777 8.7827 126.5250 54.7270 34.1001 173.4434 26 L 5.3695 9.0036 124.4138 54.1301 44.5448 175.6270 27 V 5.0931 9.0348 120.7649 61.8688 35.0452 173.6393 28 T 5.0008 9.0774 118.8782 60.2488 71.1883 173.7617 29 R 5.0113 8.8440 124.1522 54.5987 33.5994 174.0465 30 Y 4.7323 9.2556 122.2743 56.5218 39.9043 174.6796 31 I 5.0323 8.5828 126.1392 59.5395 40.5035 174.1306 32 Y 4.7295 9.5279 128.7961 57.6705 40.3604 176.9771 33 N 4.2217 9.6184 129.0494 54.5284 37.1930 175.5648 34 R 4.4536 9.1892 121.3529 56.3631 31.9214 174.5661 35 E 4.3688 8.3742 121.4489 54.3644 29.7917 174.8445 36 E 4.6220 8.8587 128.7072 56.3073 29.7796 175.2997 37 Y 5.0394 9.2966 125.0768 57.0443 40.1527 175.2445 38 A 5.3107 7.4443 120.6421 50.9855 23.0396 175.0157 39 R 5.4132 9.1009 115.4755 55.3782 33.8336 173.5136 40 F 4.8376 9.2064 121.7177 56.3187 42.6487 172.7673 41 D 5.2594 7.6494 125.5310 52.1071 42.8429 176.7755 42 S 4.3888 8.8041 121.6098 61.2551 63.1196 175.5709 43 D 4.3988 8.3063 120.5772 56.5319 40.9181 177.7302 44 V 3.6229 7.4530 117.9337 63.8620 31.8194 177.0566 45 G 3.9539 9.0828 106.5698 45.1888 0.0000 173.0076 46 V 4.7747 6.5096 110.5161 59.6043 35.8626 174.1132 47 Y 4.7091 8.2409 118.4719 58.3774 38.6077 175.8147 48 R 4.8711 9.4756 121.5065 54.2159 34.5717 174.4652 49 A 4.6098 8.7389 124.6178 52.1712 18.6905 177.3657 50 V 4.2263 9.1082 122.5622 64.0309 33.3029 175.4816 51 T 4.8361 7.6909 108.5229 58.8063 71.9546 172.4947 52 P 4.3724 0.0000 0.0000 65.1474 31.2786 177.9845 53 L 4.0869 7.9519 116.9098 56.5220 42.0152 178.5647 54 G 4.0047 8.3605 105.5026 45.8536 0.0000 173.9499 55 P 4.2308 0.0000 0.0000 65.5673 31.2084 176.5192 56 P 4.1409 0.0000 0.0000 65.2522 31.0820 178.6174 57 A 2.9379 7.5494 118.8317 54.7571 18.5791 179.2426 58 A 3.9686 7.8059 119.2515 55.3320 18.1439 179.8217 59 E 3.8852 7.7947 116.1761 59.7669 29.5929 178.5907 60 Y 4.3163 7.5073 119.4654 60.6127 38.7037 178.1076 61 W 4.0687 8.0728 120.2527 59.5906 28.8134 178.2796 62 N 4.6718 8.0711 115.5028 55.5558 38.0998 176.7616 63 S 4.6515 7.4953 113.6607 58.6359 63.9608 174.7973 64 Q 4.2678 7.4073 123.0758 54.0705 28.6921 175.6583 65 K 3.8354 8.4849 126.6817 59.6854 32.1735 178.0642 66 E 3.9190 8.0727 117.9372 59.3897 29.3988 179.2984 67 V 3.5016 7.6750 117.7177 65.8882 31.6109 177.5614 68 L 4.0497 8.1892 120.2557 58.4095 41.9781 178.8822 69 E 4.0175 8.4372 118.6427 59.2384 29.1198 179.3279 70 R 3.8713 8.1126 118.5227 59.6070 30.4273 178.4564 71 T 4.0720 7.9157 117.0764 66.1878 67.8625 176.9415 72 R 4.0039 7.8122 119.6968 59.0893 30.0769 178.5558 73 A 4.2348 7.9868 119.3796 53.8402 18.0146 178.9310 74 E 4.5888 7.9874 118.5560 57.8671 29.4317 178.7355 75 L 4.0273 7.7049 120.0627 57.5685 42.0568 178.1658 76 D 4.5193 7.8229 118.2507 56.8749 41.6386 178.8265 77 T 3.9945 8.1680 109.9094 64.2485 68.5307 174.1986 78 V 4.2366 7.9125 118.6177 64.5341 33.5346 176.5218 79 C 4.5514 8.0414 115.0494 60.4515 39.2825 176.4332 80 R 4.0287 8.6543 119.6574 59.5416 29.4634 178.6033 81 H 4.1455 8.3965 117.9787 59.6555 29.9379 177.1246 82 N 4.3935 8.7233 118.1799 56.0155 38.2644 176.8553 83 Y 3.6031 8.0649 121.4705 60.6353 38.5721 178.0392 84 Q 4.0341 7.6402 117.1435 59.0385 29.1843 178.6303 85 L 4.0875 7.3378 119.8261 57.5230 41.5298 179.3601 86 E 3.9497 7.9322 118.8647 59.0796 29.1458 178.8731 87 L 3.7921 7.7827 120.1255 57.2094 42.1115 178.1867 88 R 4.4938 7.2531 112.1146 56.0644 30.2902 176.2566 89 T 4.3550 7.5589 106.8010 62.4159 70.8761 175.7462 90 T 3.7884 8.5412 116.7665 66.2132 69.2561 176.2810 91 L 4.2456 8.0642 118.4071 56.5125 41.5423 177.7302 92 Q 4.4758 7.7535 116.4200 55.4498 30.0818 175.9582 93 R 3.9183 7.8774 119.4856 56.4146 30.3277 175.6507 94 R 4.8172 8.5636 124.6255 54.6558 32.8626 173.8871 95 V 4.4968 9.0289 125.5215 60.8964 34.3403 174.4438 96 E 4.9452 9.2154 128.2483 55.0489 29.9817 175.2912 97 P 4.7850 0.0000 0.0000 63.3411 32.7206 175.7270 98 T 4.4717 8.9799 119.5345 62.3782 70.0812 173.6868 99 V 4.7827 8.3618 127.0007 61.7225 33.0602 175.1060 100 T 4.8466 9.0822 123.7865 61.8967 73.0520 172.7745 101 I 5.2272 8.5345 125.2547 59.6155 40.1817 175.0862 102 S 4.7724 8.9193 120.3757 55.8305 66.8496 171.6256 103 P 4.1251 0.0000 0.0000 63.1016 31.0202 175.8901 *114 L 4.2645 8.6340 124.3612 53.8890 44.0326 176.8978 115 L 4.2995 7.6730 121.0980 52.8589 44.5803 175.0830 116 V 4.8287 8.5051 126.2910 61.3330 34.1887 173.2628 117 C 5.1673 9.4918 128.9017 55.3119 44.6447 172.4143 118 S 4.8418 9.5047 124.7374 57.5432 64.2848 173.7634 119 V 4.7425 8.8249 126.4665 61.5476 32.4979 174.3869 120 T 4.7977 8.8680 118.0337 59.7403 72.0016 173.1959 121 D 4.3414 8.5330 119.1983 55.3265 38.0538 172.5627 122 F 5.4412 7.6153 114.7000 55.5569 42.5770 174.4944 123 Y 5.1541 8.6650 117.4829 56.4525 42.6778 173.1001 124 P 3.4880 0.0000 0.0000 61.8107 32.3777 175.6594 125 A 3.3091 8.2142 122.1306 55.2435 18.3661 178.3741 126 Q 3.8801 7.7597 116.8319 56.8096 29.2122 175.4781 127 I 4.6442 7.6949 116.9793 59.7425 40.8167 174.0422 128 K 4.4431 8.7213 124.1758 54.8953 35.2336 174.9048 129 V 4.8618 8.4824 127.3012 61.2135 33.6986 174.7424 130 R 4.8256 9.2556 126.1574 54.3237 34.8429 174.1015 131 W 5.4531 8.7084 120.8536 55.4642 31.8089 175.1897 132 F 5.2607 9.9301 121.6765 55.7276 43.1567 173.7596 133 R 4.5257 9.2346 123.2170 54.5298 32.1735 175.5351 134 N 3.9962 9.5766 126.6478 54.9481 36.4995 174.1484 135 D 4.5884 8.3502 109.7856 55.2282 39.2146 173.9833 136 Q 4.6827 7.9819 118.0862 53.5815 31.3216 174.8876 137 E 3.1198 8.5817 124.0442 55.8450 30.0863 176.0709 138 E 4.1732 8.6421 126.5293 56.6607 30.0654 176.9059 139 T 4.5156 8.3640 118.0332 63.4853 69.5413 173.7306 140 T 4.5178 7.3913 110.9261 61.4078 71.7157 174.2313 141 G 3.7867 8.8274 108.9221 44.9276 0.0000 172.5151 142 V 4.9534 7.1901 120.3131 60.7444 33.2390 175.4373 143 V 4.5113 8.8009 127.4131 59.9858 34.0836 174.5585 144 S 5.3774 8.7753 119.5109 56.5239 64.8185 173.4223 145 T 4.4248 8.4576 115.6084 60.2840 70.0738 172.4643 146 P 4.4881 0.0000 0.0000 61.6763 32.1572 175.9652 147 L 4.1483 8.2928 122.0475 55.5821 42.6316 176.0172 148 I 4.3016 8.9480 128.5243 60.1910 38.6440 174.8620 149 R 4.2734 8.5786 128.6071 55.4129 29.9822 176.0781 150 N 4.3321 8.4179 124.8575 54.3465 38.9162 176.5984 151 G 3.8648 8.1020 106.0941 44.9708 0.0000 173.4215 152 D 4.8849 7.5263 117.7079 53.0167 39.7665 176.2745 153 W 3.2477 8.0120 116.4943 58.4660 26.2325 173.9226 154 T 4.9598 7.3825 106.3773 60.1471 72.3146 172.2766 155 F 5.0843 8.5213 121.1426 56.0062 43.0406 173.7148 156 Q 4.8990 8.5994 118.8968 55.5437 32.9234 172.9100 157 I 4.8887 8.8942 123.6089 59.9040 42.3486 173.0824 158 L 5.3032 8.9215 128.8345 52.9381 44.8683 175.4193 159 V 4.9294 8.6814 124.3579 61.3712 33.9052 174.3615 160 M 5.1512 9.2971 126.3737 54.0475 33.9724 174.7435 161 L 4.8101 8.5672 122.0780 53.2301 45.1846 174.9573 162 E 4.6320 9.4522 127.6971 55.3098 30.4294 175.4333 163 M 4.7945 8.1974 120.8974 53.8632 34.4193 175.4348 164 T 4.3240 8.0989 117.1215 60.2966 68.3551 170.2857 165 P 4.4124 0.0000 0.0000 62.8839 32.0149 175.8033 166 Q 4.7734 8.6018 121.0753 53.4139 31.1898 175.2201 167 R 4.1006 8.4852 117.0280 58.0653 29.6999 176.6962 168 G 4.0063 8.9282 110.2362 45.3141 0.0000 173.5495 169 D 4.4653 7.5865 119.5820 54.5303 41.4113 175.7586 170 V 4.4390 9.1696 124.0678 61.4885 33.8733 173.7295 171 Y 5.4796 9.1056 126.2611 57.0541 40.1263 175.0700 172 T 5.3968 9.5864 112.6803 60.3121 73.2761 171.6738 173 C 4.7592 9.0334 123.9678 55.2280 43.1184 171.9019 174 H 5.3613 9.5474 124.3857 54.2441 30.6607 174.1459 175 V 4.8277 8.6906 122.9805 61.0693 34.5516 173.8278 176 E 4.9936 9.0771 127.4844 54.9344 32.5362 174.5562 177 H 4.9746 8.5171 121.9717 54.0792 32.9496 172.3593 178 P 4.1872 0.0000 0.0000 65.6518 31.2279 177.2113 179 S 4.4274 8.2431 112.0031 58.9589 63.6325 173.1748 180 L 5.0228 8.2896 122.5085 52.9888 43.6718 176.5735 181 Q 4.1932 8.7554 121.5631 57.4993 29.3816 175.7454 182 N 4.9868 7.7518 115.2180 50.1838 41.4076 172.1997 183 P 4.4470 0.0000 0.0000 63.4006 32.4442 175.5775 184 I 4.2340 8.6246 124.1246 60.2869 38.7425 174.7848 185 I 4.7200 8.2831 127.5953 59.4226 39.7054 174.9388 186 V 4.4236 8.3404 127.0132 61.1422 33.8232 174.6857 187 E 5.3246 8.8033 126.6659 55.2958 32.2072 175.2553 188 W 5.0673 9.1839 130.5908 56.6129 34.5288 173.5352 189 R 4.6760 7.5537 124.9567 53.6699 33.3266 175.4145 190 A 3.4418 7.9424 123.5106 52.3072 18.4290 177.5093 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 G 8.21 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 0.00 0.00 0.00 0 S 8.73 3.90 0.00 3.91 3.90 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 1 R 7.82 4.15 0.00 1.83 1.96 0.00 3.19 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 2 D 7.71 4.93 0.00 2.75 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 3 S 7.87 4.40 0.00 3.98 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 4 P 0.00 4.33 0.00 2.04 2.02 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 5 E 8.40 4.04 0.00 1.86 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 1.79 1.86 0.00 6 D 7.84 4.57 0.00 2.52 2.32 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 7 F 8.78 4.72 0.00 3.16 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 8 V 8.20 4.61 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 1.01 0.00 0.00 0.92 0.00 0.00 9 Y 8.78 5.33 0.00 3.17 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 10 Q 8.62 4.78 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 11 F 8.88 5.15 0.00 2.97 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 12 K 8.45 4.06 0.00 1.50 1.48 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.22 7.81 13 G 8.13 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 14 M 8.65 4.79 0.00 1.57 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 15 C 8.29 5.14 0.00 2.53 2.05 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 16 Y 8.94 4.51 0.00 2.76 2.79 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 17 F 8.89 5.57 0.00 3.09 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 18 T 8.65 4.61 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 1.24 0.00 0.00 19 N 9.54 4.30 0.00 2.92 2.81 0.00 0.00 6.93 7.58 0.00 0.00 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 G 7.50 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 21 T 8.57 4.04 4.18 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 1.12 0.00 0.00 22 E 8.26 4.04 0.00 1.93 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 0.00 2.33 2.30 0.00 23 R 8.00 4.73 0.00 1.81 1.79 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 24 V 8.34 4.96 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 0.76 0.00 0.00 1.01 0.00 0.00 25 R 8.78 4.88 0.00 1.86 1.70 0.00 3.05 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 26 L 9.00 5.37 0.00 1.90 1.70 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.03 5.09 2.31 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 1.02 0.00 0.00 0.92 0.00 0.00 28 T 9.08 5.00 4.44 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 1.30 0.00 0.00 29 R 8.84 5.01 0.00 1.60 1.84 0.00 3.07 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 30 Y 9.26 4.73 0.00 2.67 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 31 I 8.58 5.03 1.90 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 1.13 0.73 0.96 0.00 0.00 32 Y 9.53 4.73 0.00 3.03 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 33 N 9.62 4.22 0.00 2.62 2.25 0.00 0.00 6.85 7.92 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 34 R 9.19 4.45 0.00 1.75 1.90 0.00 3.19 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 35 E 8.37 4.37 0.00 2.08 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 2.43 2.34 0.00 36 E 8.86 4.62 0.00 2.02 1.93 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 2.35 2.34 0.00 37 Y 9.30 5.04 0.00 3.10 3.26 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 38 A 7.44 5.31 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 39 R 9.10 5.41 0.00 2.13 2.25 0.00 2.71 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 F 9.21 4.84 0.00 2.36 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 41 D 7.65 5.26 0.00 2.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 7.79 3.89 0.00 2.00 2.01 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 2.34 2.37 0.00 60 Y 7.51 4.32 0.00 2.84 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 61 W 8.07 4.07 0.00 2.77 2.05 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 62 N 8.07 4.67 0.00 2.90 2.98 0.00 0.00 7.05 7.12 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 63 S 7.50 4.65 0.00 4.03 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 64 Q 7.41 4.27 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 1.91 2.13 0.00 65 K 8.48 3.84 0.00 1.79 1.82 0.00 1.80 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 66 E 8.07 3.92 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 2.39 2.42 0.00 67 V 7.67 3.50 2.12 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 0.93 0.00 0.00 0.81 0.00 0.00 68 L 8.19 4.05 0.00 2.02 1.83 1.03 1.48 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 69 E 8.44 4.02 0.00 2.17 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 2.35 2.64 0.00 70 R 8.11 3.87 0.00 1.85 2.08 0.00 3.23 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 71 T 7.92 4.07 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 -0.24 0.00 0.00 72 R 7.81 4.00 0.00 2.03 2.05 0.00 3.19 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 73 A 7.99 4.23 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 74 E 7.99 4.59 0.00 2.15 2.01 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 2.31 2.42 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0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 127 I 7.69 4.64 1.56 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 0.97 0.56 0.15 0.00 0.00 128 K 8.72 4.44 0.00 1.78 1.61 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 129 V 8.48 4.86 2.03 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 0.71 0.00 0.00 0.83 0.00 0.00 130 R 9.26 4.83 0.00 1.89 1.75 0.00 3.42 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 131 W 8.71 5.45 0.00 3.30 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 0.00 132 F 9.93 5.26 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 0.00 133 R 9.23 4.53 0.00 1.93 1.69 0.00 3.18 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 134 N 9.58 4.00 0.00 2.80 2.83 0.00 0.00 7.09 8.06 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 0.00 135 D 8.35 4.59 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 0.00 136 Q 7.98 4.68 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 137 E 8.58 3.12 0.00 1.16 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 0.00 1.98 1.78 0.00 138 E 8.64 4.17 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 2.41 2.51 0.00 139 T 8.36 4.52 4.21 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 1.18 0.00 0.00 140 T 7.39 4.52 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 1.19 0.00 0.00 141 G 8.83 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 0.00 142 V 7.19 4.95 2.12 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 1.00 0.00 0.00 1.04 0.00 0.00 143 V 8.80 4.51 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 0.80 0.00 0.00 0.94 0.00 0.00 144 S 8.78 5.38 0.00 3.93 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 0.00 145 T 8.46 4.42 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 1.29 0.00 0.00 146 P 0.00 4.49 0.00 2.09 2.06 0.00 3.70 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 2.04 2.08 0.00 147 L 8.29 4.15 0.00 1.62 1.58 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.95 4.30 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.91 0.00 0.00 149 R 8.58 4.27 0.00 1.91 1.81 0.00 3.13 0.00 0.00 3.03 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.00 150 N 8.42 4.33 0.00 2.88 2.77 0.00 0.00 7.27 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 0.00 151 G 8.10 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 0.00 0.00 0.00 152 D 7.53 4.88 0.00 2.80 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 0.00 153 W 8.01 3.25 0.00 3.27 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 0.00 154 T 7.38 4.96 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 1.22 0.00 0.00 155 F 8.52 5.08 0.00 1.79 2.47 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 0.00 156 Q 8.60 4.90 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 157 I 8.89 4.89 2.12 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 1.30 1.09 1.05 0.00 0.00 158 L 8.92 5.30 0.00 1.71 1.57 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.68 4.93 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 1.35 0.00 0.00 0.96 0.00 0.00 160 M 9.30 5.15 0.00 2.04 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 2.52 2.91 0.00 161 L 8.57 4.81 0.00 0.27 0.15 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.45 4.63 0.00 1.80 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 0.00 2.19 2.28 0.00 163 M 8.20 4.79 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.66 0.00 164 T 8.10 4.32 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 1.23 0.00 0.00 165 P 0.00 4.41 0.00 2.15 2.27 0.00 3.96 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 166 Q 8.60 4.77 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 167 R 8.49 4.10 0.00 1.95 2.02 0.00 3.02 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 168 G 8.93 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 0.00 0.00 0.00 169 D 7.59 4.47 0.00 2.89 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 0.00 0.00 0.00 0.00 170 V 9.17 4.44 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 0.93 0.00 0.00 0.96 0.00 0.00 171 Y 9.11 5.48 0.00 3.48 3.22 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 0.00 172 T 9.59 5.40 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 1.33 0.00 0.00 173 C 9.03 4.76 0.00 1.85 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 0.00 174 H 9.55 5.36 0.00 3.14 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.69 4.83 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 0.91 0.00 0.00 0.81 0.00 0.00 176 E 9.08 4.99 0.00 1.86 1.76 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 2.19 2.20 0.00 177 H 8.52 4.97 0.00 2.96 2.98 0.00 5.69 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 0.00 178 P 0.00 4.19 0.00 2.15 2.11 0.00 3.25 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 1.59 1.76 0.00 179 S 8.24 4.43 0.00 4.12 4.33 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 0.00 180 L 8.29 5.02 0.00 1.63 1.74 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.76 4.19 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 182 N 7.75 4.99 0.00 2.66 2.70 0.00 0.00 6.91 8.02 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 0.00 183 P 0.00 4.45 0.00 1.84 1.95 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 184 I 8.62 4.23 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.86 0.00 0.00 185 I 8.28 4.72 1.74 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 0.76 0.41 0.73 0.00 0.00 186 V 8.34 4.42 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 1.12 0.00 0.00 0.91 0.00 0.00 187 E 8.80 5.32 0.00 1.96 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 2.30 2.32 0.00 188 W 9.18 5.07 0.00 3.59 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 0.00 189 R 7.55 4.68 0.00 1.38 1.55 0.00 3.18 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 190 A 7.94 3.44 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 * Residues marked with a * may have inaccurate shift predictions.