NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 5.1575 8.1648 122.9782 52.0622 18.8466 175.9123 *2 I 4.0521 8.0336 121.6848 62.2110 38.2868 176.2395 3 V 3.9236 8.8540 126.0570 65.3055 32.3041 176.0544 4 G 4.7189 7.4897 104.0963 46.1795 0.0000 172.1393 5 L 5.3381 8.2982 122.1726 53.0770 45.8394 175.3589 6 G 4.3264 9.1287 111.8798 45.0095 0.0000 171.2122 7 T 5.2704 8.2690 116.0476 60.7224 71.2516 172.2112 8 D 4.7399 8.7695 123.7762 53.2123 45.2265 173.7274 9 I 5.1191 8.5078 124.3323 59.1576 40.9839 174.1750 10 A 4.8998 9.4590 129.9616 50.0482 22.4532 174.8442 11 E 4.4251 8.8514 122.9415 55.3047 30.2285 177.1222 12 I 3.6974 8.4993 128.8640 64.5365 37.0806 177.9812 13 E 4.0362 8.0629 119.5511 59.4686 29.4197 179.0036 14 R 3.8635 7.7060 118.0447 59.0054 29.9919 179.2211 15 V 3.6104 7.6316 117.6888 65.9646 31.5780 177.7583 16 E 4.0047 8.4111 118.5178 59.4299 29.2304 179.4545 17 K 3.8913 8.3947 118.6079 59.4369 32.0067 179.2541 18 A 3.7835 7.9311 120.9596 55.0132 18.1831 179.7062 19 L 4.1031 8.3399 117.5103 57.9785 41.5097 179.5959 20 A 4.0516 8.1553 119.8838 54.7041 18.2806 179.3408 21 R 4.2236 7.6030 115.3257 58.2118 31.0636 178.2239 22 S 4.7185 8.4160 112.3470 55.8004 64.7742 176.4432 23 G 4.0377 8.8068 111.0927 46.0276 0.0000 176.2207 24 E 4.0180 9.0793 124.5616 59.1246 28.8358 177.7680 25 N 4.3800 7.8601 115.6209 56.2176 38.8889 176.9859 26 F 4.5213 8.2008 121.1727 61.3457 39.7140 176.8228 27 A 3.3531 8.0675 120.5425 55.2861 17.8526 179.9000 28 R 3.8332 8.2971 115.3364 59.2028 30.1018 179.2346 29 R 4.0732 7.5546 117.0751 59.1127 30.1144 178.5742 30 I 3.5064 7.2736 117.8566 61.9950 37.8319 176.0990 31 L 4.8080 7.0680 118.1879 53.1097 43.6794 176.9626 32 T 4.1355 8.5474 112.8397 61.0309 71.0317 175.7171 33 D 4.3471 8.3599 120.6495 57.5419 40.4997 178.9435 34 S 4.2932 7.9545 115.2773 61.6848 62.9534 176.4150 35 E 4.1643 8.1725 120.8605 59.3007 29.1668 179.3740 36 L 3.9800 8.0155 119.2538 57.4008 41.3195 179.0001 37 E 3.9249 7.8563 118.5422 59.6103 29.3739 179.0631 38 Q 4.0003 7.9960 116.0908 58.6943 29.2390 178.0538 39 F 2.9120 7.8401 121.7648 61.2506 39.2103 177.0553 40 H 4.0247 8.3745 114.5664 58.5037 28.5057 177.2082 41 A 4.0650 7.3661 121.2566 53.1143 18.7880 177.9262 42 S 4.0660 6.8138 111.9212 58.5061 62.8341 174.0311 43 K 4.3552 8.4551 124.7010 56.4265 33.1695 176.7311 44 Q 4.6046 7.9182 116.7899 54.0317 28.3667 176.0236 45 Q 3.9556 7.9241 121.1571 59.4567 29.1898 178.7473 46 G 3.7632 8.1389 106.3400 48.0484 0.0000 175.8389 47 R 3.9914 8.0114 120.2536 58.6920 30.1031 178.6586 48 F 4.0625 8.4535 120.5355 61.4346 39.3959 177.0505 49 L 4.1752 8.9142 120.1541 57.9219 41.8347 178.6276 50 A 4.0686 8.3740 121.0720 55.1741 18.3507 179.7559 51 K 3.9507 7.9866 116.5313 59.7399 32.0665 179.8952 52 R 3.8980 7.8156 118.0775 58.8983 29.8985 178.8372 53 F 3.8988 8.6705 120.7371 61.2284 39.3645 176.9762 54 A 4.6268 8.6525 121.5065 54.7335 18.1548 179.4461 55 A 3.8652 8.0907 119.1933 55.3091 18.4660 180.0865 56 K 3.5166 8.1756 117.0644 59.2526 32.2294 179.5650 57 E 3.6761 8.1595 118.8552 59.1098 29.3649 179.0910 58 A 3.8884 8.1014 120.8221 55.1334 18.4167 179.5117 59 A 3.8279 7.8257 119.5029 55.2634 18.2918 180.0720 60 S 4.1776 7.4780 112.5600 61.3129 62.9989 176.8852 61 K 3.9738 7.8810 121.8303 59.0842 31.7900 179.1492 62 A 4.2603 7.9223 122.4410 54.3503 18.0308 179.3336 63 L 4.0001 7.8064 118.3012 56.4631 42.2537 177.9617 64 G 4.0052 8.0672 106.3508 45.2574 0.0000 173.6604 65 T 4.2429 7.6210 108.2928 60.1997 70.7136 175.9050 66 G 3.9833 7.8820 110.8974 45.8469 0.0000 173.6480 67 I 3.9113 7.8520 118.5520 59.6750 35.8041 174.6969 68 A 4.1565 8.3766 126.7408 52.3477 22.5728 175.9794 69 Q 3.5174 9.7725 114.9921 57.2208 26.0307 175.6971 70 G 3.8735 8.4878 105.9763 45.2457 0.0000 174.3630 71 V 4.0025 7.6099 121.1781 62.2512 31.8962 175.0598 72 T 4.7408 8.4680 116.7648 59.1942 71.7111 175.0172 73 F 4.3193 8.5892 120.0591 61.1489 38.9610 177.4240 74 H 4.6020 7.8800 115.9032 57.8940 28.6785 175.9222 75 D 4.4441 8.1487 118.6253 54.4268 40.9387 175.4499 76 F 5.3016 7.8294 117.8628 55.7947 41.9723 174.8331 77 T 4.8052 9.0400 119.5835 61.8629 71.8183 172.8812 78 I 4.8190 9.0766 128.4329 60.2604 38.4825 175.1720 79 S 5.0245 8.7907 122.5449 56.8488 66.5346 172.3100 80 H 5.4477 8.5331 114.7961 54.5175 32.9160 173.7000 81 D 4.7613 8.8777 121.5911 52.0537 41.1002 177.3246 82 K 4.1047 8.4633 117.3804 58.8773 32.0392 178.1382 83 L 4.2613 8.1163 117.2196 54.8347 41.8943 177.5433 84 G 3.9792 8.1490 107.6518 44.3806 0.0000 173.8353 85 K 4.2288 8.0271 122.3477 55.8108 33.2392 174.1132 86 P 4.8307 0.0000 0.0000 62.5766 32.6231 175.3780 87 L 4.8284 9.0389 121.7398 52.8369 45.4742 175.0039 88 L 5.0720 8.5670 124.5203 53.3958 44.0959 175.2359 89 I 4.5826 8.6406 127.0331 59.5449 39.9179 174.9586 90 L 4.9959 8.5378 126.6646 54.0336 43.1495 175.6698 91 S 4.3275 8.6110 115.4398 57.3279 66.9637 174.5792 92 G 3.9028 8.7818 108.1834 46.6755 0.0000 175.8718 93 Q 3.9234 8.5857 119.0628 58.8252 28.9578 178.1187 94 A 3.8422 7.8813 121.4220 55.0210 18.4507 179.2572 95 A 3.8746 7.8086 119.2413 55.1482 18.3087 179.8208 96 E 3.8667 7.8725 116.6406 59.5989 29.5513 179.5141 97 L 3.9388 8.0461 118.8296 57.7963 41.6503 179.4670 98 A 3.9765 8.2120 120.8307 55.0029 18.2051 179.6409 99 S 3.9869 8.0225 111.6320 61.8463 62.3401 176.5402 100 Q 4.0033 8.0450 119.2171 58.6112 28.5051 178.0935 101 L 4.2261 7.9017 117.8181 54.3550 42.4389 176.5910 102 Q 3.5544 8.2550 117.7363 56.6548 26.5695 173.6341 103 V 3.8411 8.1479 118.1262 63.3179 31.9299 175.1111 104 E 4.7850 9.0685 124.7871 55.9599 31.8089 175.7355 105 N 5.0572 7.9787 116.5352 51.6297 43.2868 173.3179 106 I 4.9575 8.2683 122.7574 59.8211 40.7119 174.5874 107 H 5.0008 9.1122 122.2864 53.9815 32.6264 172.2989 108 L 5.1940 8.5140 123.4798 53.5456 45.3806 175.1228 109 S 4.8197 9.0473 119.2259 56.6879 66.2013 172.5455 110 I 5.0770 8.2916 124.7927 59.8211 40.6668 174.7531 111 S 4.6790 8.4088 118.0035 56.9430 65.4593 172.5552 112 D 5.1353 8.3997 124.0904 51.8040 41.1733 174.5780 113 E 4.9853 8.7610 120.1796 54.8142 32.6777 176.3580 114 R 3.9468 8.8812 117.4445 60.1214 30.1602 177.3395 115 H 4.6229 8.0798 112.0630 55.6157 30.7378 173.4111 116 Y 5.2750 7.5005 115.0976 56.0893 42.1758 174.6003 117 A 5.3884 9.2307 123.9435 49.2155 23.0036 174.9172 *119 A 4.5652 8.2122 119.0355 52.4576 20.5044 176.0167 120 T 5.1402 8.6002 115.6140 61.7765 72.9934 173.3651 121 V 5.0351 8.9794 124.5852 61.2056 35.3967 174.1416 122 I 5.0086 8.8332 127.3511 59.5282 40.8732 174.1939 123 L 5.3010 8.8020 126.6346 52.9887 44.1116 175.3930 124 E 5.0606 9.2087 120.7535 54.4003 33.7354 176.1047 125 R 4.5795 8.3613 115.7429 55.6234 29.8168 175.8509 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 0 A 8.16 5.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 8.03 4.05 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 0.59 0.97 0.00 0.00 3 V 8.85 3.92 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 0.72 0.00 0.00 0.94 0.00 0.00 4 G 7.49 4.72 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 0.00 0.00 0.00 5 L 8.30 5.34 0.00 1.72 1.45 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.13 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 0.00 0.00 0.00 7 T 8.27 5.27 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 8 D 8.77 4.74 0.00 2.80 2.58 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 0.00 0.00 0.00 0.00 9 I 8.51 5.12 1.88 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.92 0.00 0.00 10 A 9.46 4.90 1.36 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 0.00 0.00 0.00 11 E 8.85 4.43 0.00 2.14 1.85 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 2.21 2.02 0.00 12 I 8.50 3.70 1.86 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 1.42 0.42 0.93 0.00 0.00 13 E 8.06 4.04 0.00 1.98 1.88 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 2.34 2.38 0.00 14 R 7.71 3.86 0.00 1.98 1.87 0.00 3.12 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 15 V 7.63 3.61 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 1.34 0.00 0.00 0.89 0.00 0.00 16 E 8.41 4.00 0.00 2.19 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 2.48 0.00 17 K 8.39 3.89 0.00 1.90 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.57 7.81 18 A 7.93 3.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.34 4.10 0.00 1.97 1.87 1.16 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.16 4.05 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 21 R 7.60 4.22 0.00 1.70 1.95 0.00 3.05 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 22 S 8.42 4.72 0.00 3.92 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 23 G 8.81 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 0.00 0.00 0.00 24 E 9.08 4.02 0.00 2.05 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 0.00 2.48 2.41 0.00 25 N 7.86 4.38 0.00 2.92 2.95 0.00 0.00 6.98 8.62 0.00 0.00 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 F 8.20 4.52 0.00 3.00 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 27 A 8.07 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.30 3.83 0.00 1.83 2.03 0.00 3.19 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 29 R 7.55 4.07 0.00 1.92 2.04 0.00 3.35 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 30 I 7.27 3.51 1.44 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.17 0.55 0.00 0.00 31 L 7.07 4.81 0.00 1.43 1.50 0.48 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.55 4.14 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 33 D 8.36 4.35 0.00 2.65 2.77 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 34 S 7.95 4.29 0.00 3.88 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 35 E 8.17 4.16 0.00 2.29 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 0.00 2.41 2.40 0.00 36 L 8.02 3.98 0.00 1.88 1.61 0.90 0.43 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 37 E 7.86 3.92 0.00 2.08 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 2.32 2.37 0.00 38 Q 8.00 4.00 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 39 F 7.84 2.91 0.00 2.69 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 40 H 8.37 4.02 0.00 3.06 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.37 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 6.81 4.07 0.00 3.57 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.46 4.36 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.36 7.81 44 Q 7.92 4.60 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 45 Q 7.92 3.96 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 1.59 2.14 0.00 46 G 8.14 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 0.00 0.00 0.00 47 R 8.01 3.99 0.00 2.06 2.03 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 48 F 8.45 4.06 0.00 3.24 3.29 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 49 L 8.91 4.18 0.00 2.12 1.80 0.59 0.70 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 50 A 8.37 4.07 1.43 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 0.00 0.00 51 K 7.99 3.95 0.00 1.91 1.80 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 52 R 7.82 3.90 0.00 1.92 1.96 0.00 3.23 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 53 F 8.67 3.90 0.00 3.15 3.23 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 0.00 54 A 8.65 4.63 1.47 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 0.00 0.00 55 A 8.09 3.87 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 56 K 8.18 3.52 0.00 1.87 1.84 0.00 1.84 0.00 0.00 2.13 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.74 7.81 57 E 8.16 3.68 0.00 1.98 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 2.05 1.76 0.00 58 A 8.10 3.89 1.34 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 0.00 0.00 0.00 59 A 7.83 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.48 4.18 0.00 4.11 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 61 K 7.88 3.97 0.00 1.97 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.54 7.81 62 A 7.92 4.26 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 63 L 7.81 4.00 0.00 1.91 1.94 0.95 1.30 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 64 G 8.07 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 65 T 7.62 4.24 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 1.21 0.00 0.00 66 G 7.88 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 67 I 7.85 3.91 1.63 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.21 0.60 0.00 0.00 68 A 8.38 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 9.77 3.52 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.49 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 71 V 7.61 4.00 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 1.03 0.00 0.00 0.93 0.00 0.00 72 T 8.47 4.74 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 73 F 8.59 4.32 0.00 3.26 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 7.88 4.60 0.00 3.15 3.35 0.00 5.65 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 75 D 8.15 4.44 0.00 2.11 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 0.00 0.00 0.00 76 F 7.83 5.30 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.04 4.81 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 1.24 0.00 0.00 78 I 9.08 4.82 1.84 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 1.44 0.76 0.80 0.00 0.00 79 S 8.79 5.02 0.00 3.86 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 80 H 8.53 5.45 0.00 2.98 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.88 4.76 0.00 2.90 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 82 K 8.46 4.10 0.00 1.78 1.93 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 83 L 8.12 4.26 0.00 1.76 1.71 0.93 0.78 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 84 G 8.15 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 85 K 8.03 4.23 0.00 1.87 2.05 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.46 7.81 86 P 0.00 4.83 0.00 2.06 1.98 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 87 L 9.04 4.83 0.00 1.50 1.53 0.89 0.46 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 88 L 8.57 5.07 0.00 1.61 1.55 1.11 1.03 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 89 I 8.64 4.58 1.88 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 1.23 0.51 0.90 0.00 0.00 90 L 8.54 5.00 0.00 1.47 1.44 0.93 0.97 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 91 S 8.61 4.33 0.00 3.77 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 92 G 8.78 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 0.00 0.00 0.00 93 Q 8.59 3.92 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 94 A 7.88 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.81 3.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.87 3.87 0.00 2.15 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 2.29 2.46 0.00 97 L 8.05 3.94 0.00 1.67 1.71 0.91 0.56 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 98 A 8.21 3.98 1.38 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 0.00 0.00 99 S 8.02 3.99 0.00 3.90 4.12 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 0.00 100 Q 8.05 4.00 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 101 L 7.90 4.23 0.00 1.87 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.26 3.55 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 103 V 8.15 3.84 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 0.76 0.00 0.00 0.94 0.00 0.00 104 E 9.07 4.79 0.00 1.82 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 2.22 2.40 0.00 105 N 7.98 5.06 0.00 2.70 2.57 0.00 0.00 6.90 7.31 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 0.00 106 I 8.27 4.96 1.84 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 0.59 0.92 0.00 0.00 107 H 9.11 5.00 0.00 3.04 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.51 5.19 0.00 1.55 1.45 0.92 0.81 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 0.00 109 S 9.05 4.82 0.00 3.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.29 5.08 1.87 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 1.21 0.77 0.90 0.00 0.00 111 S 8.41 4.68 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.40 5.14 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 4.99 0.00 2.04 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 2.24 2.42 0.00 114 R 8.88 3.95 0.00 1.67 1.73 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 115 H 8.08 4.62 0.00 2.91 2.67 0.00 5.75 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 0.00 116 Y 7.50 5.28 0.00 2.91 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 0.00 117 A 9.23 5.39 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 *119 A 8.21 4.57 1.30 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 0.00 0.00 120 T 8.60 5.14 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 1.22 0.00 0.00 121 V 8.98 5.04 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 1.09 0.00 0.00 0.90 0.00 0.00 122 I 8.83 5.01 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.93 0.00 0.00 123 L 8.80 5.30 0.00 1.60 1.56 0.99 0.55 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 0.00 124 E 9.21 5.06 0.00 2.00 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 2.39 2.25 0.00 125 R 8.36 4.58 0.00 2.07 2.08 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.