NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 Q 4.3614 8.2033 119.6874 55.1120 30.8594 176.5733 18 L 3.8036 8.1189 118.1308 55.1476 41.5995 176.2478 19 R 4.5247 7.6088 112.7973 55.6112 31.2671 176.4941 20 S 4.4802 7.8902 115.1378 58.2334 65.0648 174.9981 21 R 4.0350 8.6403 121.9783 59.6305 29.8788 178.4815 22 A 4.2232 8.1688 119.8378 55.2099 18.4469 179.0998 23 A 4.0647 8.2983 119.2822 55.6325 18.4476 179.9134 24 F 4.1125 8.4427 116.0956 60.4865 38.9309 178.0439 25 K 3.9872 8.3914 118.2354 59.4825 31.8289 179.1450 26 L 3.3961 7.9315 120.4799 57.8485 41.7873 178.7097 27 E 3.8333 8.2198 118.7088 59.2834 29.3593 179.0888 28 F 4.1369 8.3854 120.5483 61.4244 39.4389 177.2385 29 L 4.1098 8.0625 118.5720 57.7795 41.3967 179.5332 30 L 3.9467 8.1478 119.3518 57.7772 41.2920 179.2630 31 D 4.2375 7.8645 117.9747 57.4090 40.8151 178.7120 32 R 3.6523 7.2858 117.2485 57.9617 30.1477 176.9610 33 Y 4.6857 7.5216 112.3660 56.4679 39.9598 175.3892 34 R 3.9210 8.0649 118.1510 56.9853 28.3863 178.0193 35 V 3.9715 8.1143 117.7211 63.5875 32.0788 176.3146 36 V 4.5494 7.6240 119.0576 60.7630 33.7157 174.4960 37 R 4.6561 8.7414 125.1864 53.5445 32.6172 175.3823 38 K 4.0316 8.5789 121.5488 58.7619 32.1897 176.9265 39 G 4.0041 9.2336 115.3222 44.9817 0.0000 173.2264 40 D 4.7832 8.0218 119.8165 54.3441 42.4134 175.0048 41 A 5.1216 9.4659 123.7338 50.5391 21.3430 176.2502 42 V 4.8874 8.6488 121.7046 61.1183 35.2210 174.2500 43 I 4.6310 8.5090 128.7401 60.2061 38.3562 174.1434 44 E 5.0875 9.4122 129.3123 54.6023 31.8490 174.3706 45 I 4.4034 9.0562 129.0055 59.9287 39.2785 176.0939 46 G 3.5234 8.7626 116.3703 46.2212 0.0000 174.1807 47 S 4.5783 7.6725 112.3541 59.0720 64.4067 174.8466 48 S 4.3258 8.3952 118.2713 57.4904 63.0979 172.5666 49 P 4.2984 0.0000 0.0000 63.4301 31.8312 175.6164 50 G 3.5197 7.7681 108.9124 45.3469 0.0000 176.0475 51 G 3.6728 8.4443 108.9988 47.6715 0.0000 176.1714 52 W 4.3050 8.3531 121.7439 59.5950 29.1880 178.5735 53 T 3.9696 8.0665 115.1756 66.8983 67.7266 176.5464 54 Q 4.1140 8.2072 119.1019 58.7237 28.8759 178.6931 55 V 3.6694 7.7792 119.2924 66.0650 31.6489 178.2081 56 L 4.0004 8.5036 119.0208 57.6189 41.2122 178.7767 57 N 4.6545 8.2820 116.2586 55.6232 38.9606 176.1339 58 S 4.4286 7.6360 113.6542 59.5682 63.8123 174.1713 59 L 4.4389 7.4056 121.7082 56.4812 44.4056 176.2284 60 A 4.5468 8.3142 120.3378 51.8626 18.8771 177.5345 61 R 4.2243 8.6791 117.9114 58.6745 30.6394 176.9921 62 K 4.5632 7.7417 119.2245 55.2665 35.9067 174.2179 63 I 5.0013 8.4279 127.0347 59.5722 41.0444 174.2238 64 I 4.7681 8.8384 128.0085 59.9786 39.1269 174.6280 65 S 5.3532 9.1465 124.3806 56.8829 65.4854 173.6358 66 I 5.3115 8.6140 123.9444 58.6204 40.8218 173.9992 67 D 4.8709 8.2410 123.9916 53.1356 44.2189 176.0184 68 L 4.0360 8.7498 122.8070 57.0242 41.9916 177.6999 69 Q 4.6723 8.5278 116.6290 53.7065 30.6383 175.7775 70 E 4.2835 8.4062 120.1877 56.3584 30.2827 175.9856 *72 E 4.0548 8.3214 117.8173 56.0447 30.5248 175.9895 73 E 4.0840 8.5580 120.2709 56.4627 30.4994 176.3419 74 I 4.4774 7.9946 120.7902 58.9152 40.5462 174.8493 75 A 4.1252 8.6189 128.0154 53.8861 18.4574 177.9215 76 G 3.9420 8.9589 111.1079 45.1804 0.0000 173.1942 77 V 4.0651 7.4402 120.1686 61.8517 32.8076 175.3595 78 R 4.4207 8.8848 128.9444 55.2231 30.9229 174.3879 79 F 5.4041 8.7545 129.2647 56.8595 41.3365 174.7944 80 I 4.1325 8.0785 126.2494 59.2424 40.2413 174.7457 81 R 4.2793 7.9743 126.7509 55.9298 30.5339 175.6033 82 C 4.5424 8.4102 122.0226 58.5928 35.5076 172.6368 83 D 4.6485 8.3941 125.2183 52.6346 41.3627 177.2146 84 I 3.5286 8.1286 120.7766 63.3741 37.5844 176.9306 85 F 4.4851 8.3215 118.7662 58.6257 39.3083 175.6655 86 K 4.5447 7.6468 120.1366 55.4429 34.0099 175.7163 87 E 4.3319 8.6593 117.5787 58.6513 30.0158 177.8060 88 T 4.3036 7.6478 108.4874 62.2031 69.4023 176.1738 89 I 3.4230 7.4545 122.1823 64.4538 37.8238 177.4125 90 F 4.6473 7.5482 119.1838 60.0591 38.9484 177.3786 91 D 4.5116 8.2254 118.1522 57.3901 40.6571 178.4799 92 D 4.3039 8.4113 119.7605 57.4227 40.7789 178.9402 93 I 3.5412 7.8291 120.2968 64.2005 37.0179 177.8868 94 D 4.4764 8.5024 120.3190 57.7000 40.7618 179.2034 95 R 3.8548 8.1166 118.4757 59.3149 30.1740 178.3712 96 A 3.9538 7.8747 120.4696 55.1628 18.3255 179.5815 97 L 3.8931 8.1468 117.8883 57.8452 41.6775 179.6503 98 R 3.8794 8.1290 118.6428 59.7175 29.8288 178.5228 99 E 4.0562 8.1292 116.7162 58.8809 29.5167 178.2967 100 E 4.3527 7.9381 116.3372 55.7373 29.9060 176.6796 101 G 3.8789 7.8251 107.0109 46.5422 0.0000 173.3335 102 I 4.4455 7.8049 120.2116 59.1929 39.2018 175.5612 103 E 4.2749 8.9413 126.0879 57.9527 30.0901 176.5610 104 K 4.8287 7.6368 115.4215 54.6661 35.9544 176.4151 105 V 4.0944 8.5529 116.7569 61.0320 33.1651 176.8011 106 D 4.5647 8.9347 121.6692 56.7525 42.1804 176.6457 107 D 5.3922 7.9496 115.8599 52.5772 46.1040 174.6128 108 V 4.9065 8.6397 120.8650 61.2934 34.3109 174.7793 109 V 5.2359 9.0331 120.9540 59.7574 35.6520 174.6772 110 S 4.9893 9.5305 118.1351 56.5978 65.7471 173.4239 111 D 4.9228 8.1618 125.4980 53.7612 41.5997 175.8774 112 A 3.9280 7.6405 119.2045 51.5646 19.0510 177.7171 *114 A 4.2015 7.9355 120.8481 51.7648 19.6739 176.5023 115 K 3.9777 8.4390 115.2268 56.8565 32.5631 176.8630 116 V 3.9450 8.1265 123.1202 62.0828 32.2856 175.8726 117 S 4.3164 9.2779 121.7052 58.2357 63.7479 175.4802 118 G 3.8211 8.2102 108.2666 45.8295 0.0000 173.4951 119 I 4.3554 7.4926 121.1027 58.4858 39.1206 174.1590 120 P 4.2857 0.0000 0.0000 65.8183 31.2280 178.7384 121 S 4.1345 7.9966 112.2368 61.5872 63.0222 176.6627 122 R 3.8837 7.8425 121.3791 59.0320 29.9564 178.6735 123 D 4.1505 8.3444 119.0077 57.1550 40.6795 178.2347 124 H 4.4616 8.8326 120.4197 58.6816 30.0175 177.1109 125 A 3.9252 7.8704 122.4695 55.1603 18.3123 179.7964 126 V 3.5213 7.6743 116.6427 66.2334 31.6470 178.1861 127 S 4.1417 8.1713 112.9149 61.4519 62.1558 175.4262 128 Y 3.9389 8.5419 122.5853 60.8421 38.4093 178.1305 129 Q 3.9681 8.1266 118.5301 58.9639 28.7059 178.8741 130 I 3.9082 7.9619 120.8040 64.3615 36.9488 178.6591 131 G 3.5141 7.9270 105.4900 47.8585 0.0000 175.2059 132 Q 4.3441 8.0065 119.8920 58.9731 29.0941 178.9607 133 R 4.1331 7.8556 119.5223 59.0378 29.9763 179.0816 134 V 3.4965 7.7432 115.6356 63.5990 31.1560 177.0285 *136 E 4.3251 8.1575 119.7341 55.8294 31.4220 177.8782 137 I 4.0063 8.0207 119.2621 64.2584 37.0376 178.1699 138 A 3.9393 8.2376 121.9974 55.4421 18.0519 180.2328 139 V 3.0853 7.4700 108.5439 63.9562 31.7180 178.3284 140 R 3.8020 7.4157 117.9662 58.4882 29.9983 176.2537 141 Y 4.8420 7.4242 113.6820 57.4891 40.6545 176.1069 142 L 4.4896 7.8547 120.4538 54.2200 42.3737 177.4325 143 R 4.3480 9.0120 120.1274 55.6204 31.1818 175.8593 144 N 4.6214 8.7984 118.1234 55.4233 38.8182 175.7247 145 G 4.0418 9.3987 112.4842 44.9438 0.0000 173.6194 146 G 4.0964 8.4469 107.6166 46.1538 0.0000 172.5021 147 N 5.8061 9.1179 116.8536 51.2498 42.4868 173.9504 148 V 5.0113 8.4208 120.5476 61.0481 34.5939 174.5160 149 L 5.0314 8.7854 128.7581 53.1054 45.1092 175.0233 150 L 5.3607 9.0588 125.9286 54.0233 44.1282 175.2832 151 K 4.0555 8.8987 124.5460 56.3474 32.6345 175.8150 152 Q 5.0651 8.5220 127.1005 53.7484 32.8702 173.2502 153 F 4.6299 8.8192 123.7726 56.2349 40.4850 175.0688 154 Q 4.0284 9.2442 126.5878 56.5905 29.5644 176.3617 155 G 3.7051 8.0823 111.8645 45.8982 0.0000 174.8731 156 D 4.2945 8.7030 122.9904 55.4317 41.0723 177.9521 *158 T 4.8240 8.0204 116.2665 64.0279 70.4799 176.2868 159 N 4.4273 8.1313 118.1066 56.4599 38.5432 177.1507 160 D 4.3895 8.1575 119.9461 57.0609 40.9188 178.2674 161 F 4.3809 8.4880 120.8056 61.6197 39.5216 177.1233 162 I 3.9757 8.3979 119.2031 64.4457 36.6762 178.2792 163 A 4.0082 8.0603 120.6385 55.1195 18.1951 179.6335 164 I 3.6432 7.7822 118.1553 64.4437 37.2874 178.8182 165 W 4.1163 7.9875 119.8616 59.1237 28.8239 178.5800 166 R 4.4179 8.2568 115.7096 58.3856 28.7268 178.7429 167 K 4.1451 7.7038 118.7564 58.7679 32.2418 177.0951 168 N 4.6227 8.1873 115.6793 52.8475 38.7486 174.3014 169 F 5.6013 7.8871 115.6223 54.7076 43.2187 175.1691 170 S 4.4038 9.0807 119.4661 61.6933 62.9050 174.5466 171 S 4.8340 7.9883 112.6972 57.9037 65.3098 172.3275 172 Y 5.3313 8.0767 117.3560 55.5591 40.7316 174.3415 173 K 4.5254 8.3770 118.5108 54.7523 36.2605 175.7430 174 I 4.8306 8.1653 121.3643 59.7115 39.9873 174.9159 175 S 4.8478 9.2546 120.0044 56.5716 66.5180 173.0057 176 K 4.8695 8.7660 123.7138 54.1327 33.0424 174.3799 177 P 3.4609 0.0000 0.0000 64.8489 31.5226 178.2336 *184 S 4.3838 7.9249 110.5699 57.6591 64.5597 173.9130 185 S 4.6207 7.7975 115.0309 58.5239 64.3294 173.3473 186 E 3.8147 7.8569 123.2024 56.1726 29.9038 175.5783 187 I 4.8357 8.7262 119.5307 59.3927 42.1544 173.3748 188 Y 4.9335 9.0558 120.1443 56.4882 40.7444 175.9911 189 I 4.5669 8.6347 125.7015 59.6306 40.7715 174.2771 *191 F 4.6826 8.2605 119.7445 57.6017 40.3415 174.4494 192 F 5.1559 9.3492 122.2602 56.2476 41.8091 174.3042 193 G 4.1611 9.2777 111.2328 45.5252 0.0000 172.7732 194 F 3.7820 9.1379 123.1381 58.5054 40.4145 174.1889 195 K 4.3130 7.6810 126.2818 54.0220 33.8939 176.2749 196 A 3.6191 7.8794 128.2481 54.4378 18.6110 177.0313 197 E 4.0485 7.7462 117.5540 56.5989 29.8968 176.5468 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 17 Q 8.20 4.36 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 18 L 8.12 3.80 0.00 1.68 1.67 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.61 4.52 0.00 2.03 2.09 0.00 3.16 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 20 S 7.89 4.48 0.00 4.16 4.16 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 21 R 8.64 4.04 0.00 1.96 2.05 0.00 3.21 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 22 A 8.17 4.22 1.41 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 0.00 0.00 23 A 8.30 4.06 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 24 F 8.44 4.11 0.00 3.29 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 25 K 8.39 3.99 0.00 2.22 1.85 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.75 7.81 26 L 7.93 3.40 0.00 0.27 1.24 -0.15 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.22 3.83 0.00 2.16 1.94 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 2.19 2.29 0.00 28 F 8.39 4.14 0.00 3.19 3.27 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 29 L 8.06 4.11 0.00 1.72 1.72 0.28 0.84 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 30 L 8.15 3.95 0.00 1.56 1.63 0.77 0.93 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 31 D 7.86 4.24 0.00 2.68 2.55 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 32 R 7.29 3.65 0.00 0.70 0.66 0.00 2.21 0.00 0.00 2.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.79 0.00 33 Y 7.52 4.69 0.00 3.14 3.14 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 34 R 8.06 3.92 0.00 1.96 2.00 0.00 3.12 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 35 V 8.11 3.97 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 0.65 0.00 0.00 0.70 0.00 0.00 36 V 7.62 4.55 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 0.85 0.00 0.00 0.94 0.00 0.00 37 R 8.74 4.66 0.00 2.16 1.80 0.00 3.25 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 38 K 8.58 4.03 0.00 1.68 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 39 G 9.23 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 40 D 8.02 4.78 0.00 2.82 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 41 A 9.47 5.12 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 42 V 8.65 4.89 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 1.10 0.00 0.00 0.94 0.00 0.00 43 I 8.51 4.63 1.85 0.00 0.00 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 0.99 0.50 0.85 0.00 0.00 44 E 9.41 5.09 0.00 2.07 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 2.28 2.46 0.00 45 I 9.06 4.40 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.80 0.00 0.00 46 G 8.76 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.58 0.00 4.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.40 4.33 0.00 3.94 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 49 P 0.00 4.30 0.00 2.14 2.13 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 50 G 7.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.35 4.31 0.00 3.50 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 53 T 8.07 3.97 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 1.24 0.00 0.00 54 Q 8.21 4.11 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 55 V 7.78 3.67 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 0.87 0.00 0.00 56 L 8.50 4.00 0.00 1.84 1.71 1.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.28 4.65 0.00 2.91 2.96 0.00 0.00 7.23 8.24 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 58 S 7.64 4.43 0.00 4.00 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 59 L 7.41 4.44 0.00 1.65 1.76 0.92 1.08 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 60 A 8.31 4.55 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 61 R 8.68 4.22 0.00 1.82 2.08 0.00 3.12 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 62 K 7.74 4.56 0.00 1.87 1.64 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 63 I 8.43 5.00 1.90 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 1.37 0.57 0.96 0.00 0.00 64 I 8.84 4.77 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 74 I 7.99 4.48 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.92 0.00 0.00 75 A 8.62 4.13 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 76 G 8.96 3.94 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 0.00 0.00 0.00 77 V 7.44 4.07 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 0.86 0.00 0.00 0.95 0.00 0.00 78 R 8.88 4.42 0.00 1.94 1.81 0.00 3.10 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 79 F 8.75 5.40 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.08 4.13 1.61 0.00 0.00 0.73 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 0.73 0.71 0.00 0.00 81 R 7.97 4.28 0.00 1.52 1.78 0.00 3.57 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 82 C 8.41 4.54 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.39 4.65 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.53 1.52 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.33 0.70 0.00 0.00 85 F 8.32 4.49 0.00 3.20 3.05 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 86 K 7.65 4.54 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.56 7.81 87 E 8.66 4.33 0.00 1.97 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 2.31 0.00 88 T 7.65 4.30 4.35 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 1.20 0.00 0.00 89 I 7.45 3.42 1.57 0.00 0.00 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 1.25 0.72 0.13 0.00 0.00 90 F 7.55 4.65 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.28 0.69 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 R 9.01 4.35 0.00 1.95 2.12 0.00 2.85 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 144 N 8.80 4.62 0.00 2.77 2.84 0.00 0.00 7.17 7.65 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 0.00 145 G 9.40 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 0.00 146 G 8.45 4.10 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 0.00 0.00 0.00 147 N 9.12 5.81 0.00 2.93 2.50 0.00 0.00 6.80 7.24 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 0.00 148 V 8.42 5.01 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 0.83 0.00 0.00 1.00 0.00 0.00 149 L 8.79 5.03 0.00 1.70 1.47 1.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.06 5.36 0.00 1.73 1.76 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.90 4.06 0.00 1.71 1.62 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.09 0.52 7.81 152 Q 8.52 5.07 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 153 F 8.82 4.63 0.00 3.11 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 0.00 154 Q 9.24 4.03 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 155 G 8.08 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.70 4.29 0.00 2.63 2.69 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 *158 T 8.02 4.82 4.35 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 1.32 0.00 0.00 159 N 8.13 4.43 0.00 2.78 2.91 0.00 0.00 7.07 8.08 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 0.00 160 D 8.16 4.39 0.00 2.84 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 0.00 161 F 8.49 4.38 0.00 3.54 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.40 3.98 1.99 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 1.56 0.98 0.14 0.00 0.00 163 A 8.06 4.01 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 0.00 164 I 7.78 3.64 1.48 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.14 0.00 0.00 165 W 7.99 4.12 0.00 2.80 2.37 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 0.00 166 R 8.26 4.42 0.00 2.41 2.54 0.00 3.06 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 167 K 7.70 4.15 0.00 1.81 1.88 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.64 7.81 168 N 8.19 4.62 0.00 2.72 2.60 0.00 0.00 6.57 8.30 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 0.00 169 F 7.89 5.60 0.00 3.21 3.33 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 0.00 170 S 9.08 4.40 0.00 4.19 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 0.00 171 S 7.99 4.83 0.00 4.02 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 0.00 172 Y 8.08 5.33 0.00 2.78 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 0.00 173 K 8.38 4.53 0.00 1.62 1.46 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.45 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.49 7.81 174 I 8.17 4.83 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 1.00 0.00 0.00 175 S 9.25 4.85 0.00 3.87 3.80 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 0.00 176 K 8.77 4.87 0.00 1.69 1.77 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.53 7.81 177 P 0.00 3.46 0.00 1.93 1.66 0.00 3.93 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 *184 S 7.92 4.38 0.00 4.01 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 0.00 185 S 7.80 4.62 0.00 3.98 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 0.00 186 E 7.86 3.81 0.00 1.21 1.61 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 1.83 1.49 0.00 187 I 8.73 4.84 1.85 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 1.24 0.94 0.87 0.00 0.00 188 Y 9.06 4.93 0.00 2.93 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 0.00 189 I 8.63 4.57 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.43 0.00 0.00 *191 F 8.26 4.68 0.00 1.83 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 0.00 192 F 9.35 5.16 0.00 3.05 3.05 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 0.00 193 G 9.28 4.16 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 0.00 0.00 0.00 194 F 9.14 3.78 0.00 3.10 3.13 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 0.00 0.00 0.00 195 K 7.68 4.31 0.00 1.32 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.19 7.81 196 A 7.88 3.62 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 0.00 197 E 7.75 4.05 0.00 2.01 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 2.16 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.