NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3245 7.8785 121.0478 61.0634 39.7481 174.5877 17 A 4.6563 8.7931 131.7908 49.0106 21.8302 174.4277 18 G 3.4879 9.0025 108.6438 47.4612 0.0000 173.4844 19 G 4.1611 9.0534 110.4302 46.5819 0.0000 172.7345 *29 E 5.0706 7.8976 117.9709 55.7789 31.4890 174.8864 30 A 4.8021 8.6456 123.0374 52.2069 19.4280 177.1152 31 I 4.8973 8.8452 114.7242 59.4013 41.0348 174.5428 32 T 5.2718 8.9414 114.3173 60.6463 73.1993 172.7586 33 T 3.9706 8.5165 116.5943 60.2247 69.8516 173.4900 34 G 3.5501 8.7009 119.7613 47.0481 0.0000 174.8988 *39 G 3.8850 8.6851 113.1682 44.9998 0.0000 171.8657 40 S 4.7044 8.3138 117.2202 57.3069 64.9866 173.2578 41 R 5.1213 8.4374 122.4705 55.0766 33.6867 174.6167 42 C 5.2217 9.2909 121.8873 55.6805 45.2151 172.5660 43 S 5.3871 8.9194 115.0631 56.6604 65.7967 174.4867 44 L 3.6913 9.0970 125.3134 55.4169 42.5514 176.9035 45 G 3.9244 9.1198 114.5120 48.2977 0.0000 173.1810 46 F 5.0521 7.5057 117.1031 55.0376 44.5122 172.7856 47 N 5.1833 8.9492 119.7761 53.1232 40.0588 174.7015 48 V 5.0555 9.3375 116.2239 59.8511 37.0914 173.8904 48A S 5.1098 9.4586 115.4795 56.6682 65.7127 172.9340 48B V 4.3940 8.7761 126.3402 61.0430 33.7976 175.1515 48C N 4.1944 9.9069 127.5220 54.3884 36.0573 175.8893 48D G 3.9364 7.9090 104.7698 45.4467 0.0000 174.2610 49 V 3.9531 7.7451 120.8448 61.4899 32.6538 174.6048 50 A 4.7528 8.4639 129.3846 52.4425 19.5559 175.8878 51 H 5.4598 9.4983 118.5956 54.2199 34.3961 172.0567 52 A 5.1472 9.2620 120.3982 50.3867 22.3150 175.4266 53 L 4.9106 8.9902 121.9394 54.5506 44.1046 176.1350 54 T 4.5574 8.2580 114.8478 61.4892 71.2688 172.4481 55 A 4.4589 8.4273 123.8114 51.6198 18.0727 179.0580 56 G 3.8226 8.8965 108.7984 47.9598 0.0000 175.7500 57 H 3.7518 8.1107 115.5384 57.6420 28.3738 176.9875 58 C 4.4740 6.9128 119.4121 60.2887 38.8333 175.8275 59 T 3.8447 7.6925 110.7574 64.6081 68.0681 175.6823 58 N 4.6640 6.9928 119.5121 55.1887 45.7800 176.4275 59 I 3.6647 7.5425 117.0574 63.9081 37.0681 177.3823 64 S 4.7199 7.1821 110.2908 57.3018 65.2110 173.3430 65 A 4.4881 8.5155 124.7785 52.5614 19.2980 176.6511 65A S 4.9948 7.7657 111.0438 56.1201 63.7941 173.2292 66 W 4.9836 8.9543 126.7393 53.8575 32.3041 176.4710 *84 S 4.4425 8.5527 114.8349 58.0860 64.2867 174.7270 85 I 4.2423 8.4147 111.9036 59.9546 38.7001 175.9931 86 G 4.5557 6.6102 107.5723 45.9396 0.0000 170.4678 87 T 5.2288 7.6802 116.1228 61.4509 71.1640 174.3151 88 R 4.4566 9.2000 127.6776 56.8438 30.6515 176.1140 89 T 4.6400 8.7067 114.2258 60.7224 70.2189 173.6325 90 G 4.0673 7.7406 106.4111 46.5035 0.0000 172.5567 91 T 4.7906 8.1049 115.1627 60.8658 71.5157 172.5360 *93 S 4.5377 8.5591 120.9367 58.7746 63.3706 171.8319 94 F 5.3397 8.5570 125.9175 57.1035 42.5809 172.2812 *99A P 3.1194 0.0000 0.0000 63.9280 31.3753 173.5979 100 N 4.6605 7.9414 116.5034 53.4158 39.4333 176.4096 101 N 5.0067 7.2566 112.9359 52.1388 41.5493 174.5558 102 D 5.2370 8.7881 116.4079 53.1503 41.9024 173.2061 103 Y 5.2825 8.1253 119.5763 56.0399 42.7498 175.7333 104 G 5.0409 8.8119 105.7860 45.8865 0.0000 171.7492 105 I 5.1280 8.6187 119.6839 59.1245 41.9726 173.7497 106 I 4.8485 8.4148 128.7013 59.3773 40.6423 174.5250 107 R 4.2364 9.1768 128.1832 55.7578 31.2832 175.2671 108 H 4.7775 8.4548 124.0257 56.0165 28.7693 176.2970 109 S 4.1365 9.2986 119.6033 60.5206 63.0892 172.9868 110 N 5.0089 7.8346 118.1951 50.6621 39.5602 172.4346 111 P 4.1199 0.0000 0.0000 65.2378 31.6602 178.7237 112 A 4.0561 8.0345 118.9861 53.9496 18.4356 177.7183 113 A 4.1638 7.7998 117.4476 52.9431 19.0360 178.5571 114 A 4.0255 7.2282 119.6763 51.2498 16.4792 174.7358 115 D 4.5194 8.1640 118.2032 52.9476 41.6536 178.3307 116 G 4.0801 8.3680 119.7536 46.0777 0.0000 171.1703 117 R 5.3251 7.7791 117.6090 54.5842 36.0373 174.9148 118 V 4.6233 8.5996 119.0517 61.3577 34.2951 173.9087 119 Y 4.1367 8.8570 130.1220 57.1607 38.9331 175.1230 120 L 4.1800 8.1063 125.7224 54.2902 41.9765 176.9043 120A Y 2.8213 5.3700 115.4217 58.5175 35.1082 169.9971 120B N 4.8289 6.8296 114.4680 52.5395 38.0507 175.3266 120C G 4.0027 8.1669 105.5569 46.1085 0.0000 173.3293 120D S 5.0343 8.0136 113.8757 56.5317 66.0211 172.0696 121 Y 5.1922 8.5324 118.6915 56.2252 42.0940 174.5077 122 Q 4.6469 9.2579 123.2614 54.3463 31.2016 174.2827 123 D 4.7769 8.8265 126.5118 54.3286 42.1700 175.0433 124 I 4.7733 8.1715 126.1714 60.1781 38.4993 175.6949 125 T 4.6075 9.2377 114.1336 61.8366 70.9331 173.0431 126 T 4.7452 7.7611 114.8489 60.6062 71.6892 171.6913 127 A 5.0314 8.4921 124.1843 50.2942 21.7983 175.8019 128 G 4.1570 9.3111 107.0878 45.4365 0.0000 171.2134 129 N 5.1098 8.6595 116.0012 51.0650 40.9712 174.9097 130 A 4.4686 8.4148 125.0898 51.9233 19.6040 176.7170 131 F 5.0085 8.2094 113.8600 54.4508 41.0869 174.6809 132 V 3.9138 8.4860 122.8804 64.6504 31.5897 176.2876 133 G 3.9908 9.1932 116.4252 44.8142 0.0000 173.1254 134 Q 3.8268 7.5942 122.0101 55.4671 30.1568 175.0321 135 A 4.5272 8.3902 128.2707 52.1754 19.0788 176.9139 136 V 4.4639 8.7337 115.3321 59.7742 36.7049 174.6145 137 Q 4.8625 8.0897 119.3567 54.1577 33.1697 174.6429 138 R 5.1556 9.1310 120.8841 54.7582 33.9065 173.6821 139 S 5.2788 9.0880 120.2083 56.7424 65.3613 172.8483 140 G 4.4361 8.8101 112.8951 45.3180 0.0000 173.5149 141 S 4.5234 8.8983 114.7462 59.4895 63.7596 175.6333 142 T 4.1812 8.9525 119.0453 65.7651 68.7336 176.4011 143 T 4.2969 7.9649 108.7571 61.9477 70.5102 174.0790 *156 G 3.4066 7.3944 108.7800 46.2442 0.0000 172.5876 157 L 5.2740 8.4975 127.3576 53.6230 43.5341 175.9248 158 R 4.9402 9.0234 124.3721 54.4755 34.6856 174.2234 159 S 4.8685 8.2660 114.3500 56.9097 66.3761 174.1467 160 G 4.1801 8.0779 106.4803 46.7524 0.0000 172.3087 161 S 5.1179 8.7371 116.5196 56.3949 67.4472 174.0662 162 V 4.2254 8.4231 122.1586 63.2924 31.8394 176.2857 163 T 4.6078 8.5922 117.5092 61.5337 70.2286 174.0083 164 G 4.2141 7.4678 107.5229 45.8651 0.0000 172.2385 165 L 5.1673 8.2204 119.4683 52.5353 46.0047 175.3288 166 N 4.0692 8.8788 115.2208 54.5710 37.5954 173.8807 167 A 4.4304 8.3452 117.7833 51.5802 20.2634 177.5217 168 T 4.5570 8.3118 118.1791 62.2849 70.2492 174.4907 169 V 3.7194 8.3098 126.1903 60.7474 34.4762 173.5454 170 N 4.6612 8.3033 126.9948 52.0454 39.7289 173.6919 171 Y 4.8652 8.8018 125.5094 57.6318 39.7285 177.5219 172 G 3.8757 8.4842 114.7676 46.3992 0.0000 178.8477 173 S 4.1778 8.9948 119.3802 60.8488 62.6095 175.3762 174 S 4.2790 7.7995 115.7829 59.2699 63.0947 173.5233 175 G 3.7208 8.1928 106.2287 44.2697 0.0000 171.6717 176 I 4.6375 7.9160 118.0617 59.4012 39.7259 175.6919 177 V 4.6128 8.3157 119.6275 59.7097 34.5660 174.4051 178 Y 4.7188 8.0433 120.2016 56.1245 41.5422 175.3005 179 G 3.9633 8.6015 106.8903 47.0692 0.0000 173.6935 180 M 4.7868 8.1427 118.2460 54.0465 34.4328 177.2162 181 I 4.3943 9.0439 124.3257 61.3453 38.8258 174.5936 182 Q 5.0442 9.4144 128.1851 54.5965 31.5221 174.3865 183 T 5.1366 8.8208 115.7493 59.8459 73.3803 173.2025 184 N 4.8868 8.3327 116.1380 52.9451 38.5233 174.4634 *190 V 4.4530 8.0176 117.8536 63.7148 32.4277 173.9881 191 C 4.5956 8.7555 120.9249 55.0724 41.4258 172.0788 192 A 4.6959 7.8576 121.7444 51.6978 21.8033 174.9343 192A Q 4.6633 9.0001 117.6473 53.2888 33.1188 173.2599 192B P 4.3655 0.0000 0.0000 64.4935 31.6568 176.4856 193 G 4.3138 8.8983 109.5905 46.3969 0.0000 174.2839 194 D 4.5390 8.2986 118.5419 55.6506 41.6049 176.8428 195 S 4.3809 7.8101 116.2599 60.0634 63.3803 175.3149 196 G 4.1979 8.7444 112.9182 46.3096 0.0000 173.7100 197 G 4.2145 7.4851 106.5628 45.1469 0.0000 173.2023 198 S 4.6812 8.4264 116.2902 58.1467 64.2160 173.2011 199 L 5.2554 9.1679 126.8405 53.2654 44.3157 175.1368 200 F 5.4756 8.6963 120.0261 55.7251 42.5154 173.5353 201 A 4.4631 9.0363 120.6159 50.0172 20.8650 176.7581 202 G 3.7665 8.6669 114.4942 47.7947 0.0000 173.5921 *207 S 5.0780 8.3572 118.9936 58.1656 65.7231 172.6904 208 T 5.0401 7.9250 117.7835 62.1206 70.5291 173.6155 209 A 4.3030 8.7830 129.6062 51.8829 19.1486 177.7542 210 L 4.4200 9.2448 120.8924 55.7745 45.6967 176.4454 211 G 4.5246 7.9387 103.4909 45.7682 0.0000 171.9080 212 L 5.6340 8.9204 119.3605 52.7671 45.1760 176.9301 213 T 3.8281 8.9077 120.8761 64.3679 68.9581 173.7189 214 S 4.4325 8.2554 120.2346 58.7976 64.3322 173.7774 215 G 3.9672 7.0104 103.5331 48.2310 0.0000 171.9074 216 G 4.4427 8.2271 107.3848 46.1909 0.0000 171.6197 217 S 4.6583 8.0975 115.9224 57.6493 66.7069 175.4910 218 G 4.0319 10.2490 108.4213 45.7236 0.0000 170.8070 219 N 4.9277 7.7980 114.8531 53.5829 40.0515 174.0525 220 C 4.6017 9.8630 117.7608 58.5553 40.4649 175.3566 221 R 4.3394 8.5874 119.1521 57.6812 30.2116 182.6750 222 T 4.1149 8.1768 106.6327 61.3983 69.8903 175.6884 223 G 3.9178 9.1728 109.2084 45.1778 0.0000 171.8476 224 G 4.8057 7.3499 102.5056 47.0041 0.0000 172.2675 225 T 4.9670 7.5131 116.7299 61.8710 71.1654 174.1369 226 T 4.9782 8.5585 115.1551 59.8209 72.7395 172.6451 227 F 5.4480 9.2389 121.6481 56.1547 42.4545 173.9587 228 Y 5.1950 9.2983 119.6927 56.0707 42.1841 174.4503 229 Q 4.6579 9.4201 124.6872 54.8738 30.8772 173.6389 230 P 4.7918 0.0000 0.0000 62.8066 32.0245 177.7488 231 V 3.8452 8.8011 124.5604 64.9868 31.3147 178.7480 232 T 3.7984 7.8910 110.0804 64.5624 68.5720 175.9845 233 E 3.8824 7.9307 121.0943 58.8871 29.1902 178.6584 234 A 2.5949 7.6710 120.4326 54.5105 18.3935 179.4093 235 L 3.9607 8.0626 118.0783 58.0290 41.2135 180.0078 235A S 4.0313 8.1362 113.9348 61.2485 62.6845 176.2178 236 A 3.8390 7.4228 123.5850 54.1735 18.0317 178.1145 237 Y 4.7636 6.9850 110.4403 56.5270 39.2737 175.7320 238 G 3.8174 7.6812 106.6009 46.7455 0.0000 173.5919 239 A 5.1582 8.1175 120.1395 50.1947 21.8854 177.5384 240 T 4.6748 8.6224 108.8150 59.6408 72.2231 174.0448 241 V 4.0030 8.4146 117.6016 61.4336 32.5720 176.2748 242 L 4.2140 8.2361 123.0701 55.0640 41.5881 176.7106 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 16 I 7.88 4.32 1.88 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 1.29 1.28 0.99 0.00 0.00 17 A 8.79 4.66 1.52 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 18 G 9.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.05 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 *29 E 7.90 5.07 0.00 2.11 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 2.26 2.19 0.00 30 A 8.65 4.80 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 31 I 8.85 4.90 2.08 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.11 0.93 0.00 0.00 32 T 8.94 5.27 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 33 T 8.52 3.97 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 0.20 0.00 0.00 34 G 8.70 3.55 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 0.00 *39 G 8.69 3.88 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 0.00 0.00 0.00 40 S 8.31 4.70 0.00 3.70 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 41 R 8.44 5.12 0.00 1.86 1.74 0.00 3.16 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 42 C 9.29 5.22 0.00 2.96 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 43 S 8.92 5.39 0.00 3.75 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 44 L 9.10 3.69 0.00 1.65 1.50 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.12 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 0.00 0.00 0.00 46 F 7.51 5.05 0.00 3.00 2.90 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 47 N 8.95 5.18 0.00 2.81 2.78 0.00 0.00 6.80 7.68 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 48 V 9.34 5.06 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 0.78 0.00 0.00 0.97 0.00 0.00 48A S 9.46 5.11 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48B V 8.78 4.39 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 1.01 0.00 0.00 0.79 0.00 0.00 48C N 9.91 4.19 0.00 2.87 2.87 0.00 0.00 7.24 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 48D G 7.91 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 49 V 7.75 3.95 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 0.98 0.00 0.00 1.01 0.00 0.00 50 A 8.46 4.75 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 51 H 9.50 5.46 0.00 3.04 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 9.26 5.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.99 4.91 0.00 1.90 1.69 1.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.26 4.56 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 0.80 0.00 0.00 55 A 8.43 4.46 1.04 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 56 G 8.90 3.82 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 0.00 0.00 0.00 57 H 8.11 3.75 0.00 2.09 1.31 0.00 5.56 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 6.91 4.47 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.69 3.84 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 58 N 6.99 4.66 0.00 2.98 2.97 0.00 0.00 6.99 7.42 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 59 I 7.54 3.66 1.90 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 1.52 0.83 0.51 0.00 0.00 64 S 7.18 4.72 0.00 3.59 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 65 A 8.52 4.49 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 65A S 7.77 4.99 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 66 W 8.95 4.98 0.00 3.62 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 S 8.55 4.44 0.00 4.05 4.09 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 0.00 0.00 0.00 0.00 85 I 8.41 4.24 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.96 0.00 0.00 86 G 6.61 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 5.23 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 1.31 0.00 0.00 88 R 9.20 4.46 0.00 2.00 1.96 0.00 3.28 0.00 0.00 3.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 89 T 8.71 4.64 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 1.28 0.00 0.00 90 G 7.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.10 4.79 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 1.36 0.00 0.00 *93 S 8.56 4.54 0.00 3.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.56 5.34 0.00 2.97 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 *99A P 0.00 3.12 0.00 1.92 0.77 0.00 3.68 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 100 N 7.94 4.66 0.00 3.05 2.92 0.00 0.00 7.55 6.19 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 0.00 101 N 7.26 5.01 0.00 2.47 2.34 0.00 0.00 6.29 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 0.00 102 D 8.79 5.24 0.00 2.91 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 0.00 103 Y 8.13 5.28 0.00 3.09 3.11 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 0.00 104 G 8.81 5.04 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 0.00 105 I 8.62 5.13 1.40 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 1.05 1.42 -0.05 0.00 0.00 106 I 8.41 4.85 1.65 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.32 0.84 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2.67 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 0.00 116 G 8.37 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.78 5.33 0.00 1.76 2.01 0.00 3.03 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 118 V 8.60 4.62 1.44 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 0.63 0.00 0.00 0.62 0.00 0.00 119 Y 8.86 4.14 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.11 4.18 0.00 1.70 1.54 0.91 0.82 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 120A Y 5.37 2.82 0.00 3.06 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 120B N 6.83 4.83 0.00 2.80 2.75 0.00 0.00 6.91 6.88 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 120C G 8.17 4.00 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 0.00 173 S 8.99 4.18 0.00 4.01 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 0.00 174 S 7.80 4.28 0.00 4.11 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 0.00 175 G 8.19 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 0.00 0.00 0.00 0.00 176 I 7.92 4.64 1.62 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.38 0.00 0.00 177 V 8.32 4.61 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 0.79 0.00 0.00 0.82 0.00 0.00 178 Y 8.04 4.72 0.00 2.88 2.86 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 0.00 179 G 8.60 3.96 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 0.00 0.00 0.00 180 M 8.14 4.79 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 181 I 9.04 4.39 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.94 0.00 0.00 182 Q 9.41 5.04 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.09 1.67 0.00 183 T 8.82 5.14 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 1.11 0.00 0.00 184 N 8.33 4.89 0.00 2.85 3.00 0.00 0.00 7.01 7.10 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 *190 V 8.02 4.45 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 1.06 0.00 0.00 0.84 0.00 0.00 191 C 8.76 4.60 0.00 3.14 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 0.00 192 A 7.86 4.70 1.23 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 0.00 0.00 192A Q 9.00 4.66 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 192B P 0.00 4.37 0.00 2.02 1.97 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 193 G 8.90 4.31 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 0.00 194 D 8.30 4.54 0.00 2.91 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 0.00 195 S 7.81 4.38 0.00 3.88 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.49 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 0.00 0.00 0.00 0.00 198 S 8.43 4.68 0.00 3.83 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 L 9.17 5.26 0.00 1.30 1.50 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 200 F 8.70 5.48 0.00 3.43 3.34 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 0.00 201 A 9.04 4.46 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 8.67 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 *207 S 8.36 5.08 0.00 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 T 7.92 5.04 4.38 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 1.23 0.00 0.00 209 A 8.78 4.30 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 9.24 4.42 0.00 1.54 1.64 0.80 0.72 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 0.00 211 G 7.94 4.52 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 0.00 212 L 8.92 5.63 0.00 1.75 1.66 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 213 T 8.91 3.83 4.45 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 1.09 0.00 0.00 214 S 8.26 4.43 0.00 3.99 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 0.00 215 G 7.01 3.97 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 0.00 0.00 0.00 216 G 8.23 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 0.00 0.00 0.00 0.00 217 S 8.10 4.66 0.00 4.00 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 0.00 218 G 10.25 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 0.00 219 N 7.80 4.93 0.00 3.14 2.92 0.00 0.00 6.96 7.29 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 0.00 220 C 9.86 4.60 0.00 3.15 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 0.00 221 R 8.59 4.34 0.00 1.80 1.82 0.00 3.26 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 222 T 8.18 4.11 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 1.28 0.00 0.00 223 G 9.17 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 0.00 0.00 0.00 224 G 7.35 4.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 T 7.51 4.97 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 0.89 0.00 0.00 226 T 8.56 4.98 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 1.21 0.00 0.00 227 F 9.24 5.45 0.00 3.03 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 0.00 228 Y 9.30 5.20 0.00 2.93 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 9.42 4.66 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.86 2.66 0.00 230 P 0.00 4.79 0.00 2.31 2.06 0.00 3.82 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 231 V 8.80 3.85 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 0.84 0.00 0.00 1.03 0.00 0.00 232 T 7.89 3.80 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 1.24 0.00 0.00 233 E 7.93 3.88 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 234 A 7.67 2.59 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 L 8.06 3.96 0.00 1.63 1.87 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 235A S 8.14 4.03 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 A 7.42 3.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 Y 6.99 4.76 0.00 2.95 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 0.00 238 G 7.68 3.82 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 0.00 0.00 0.00 239 A 8.12 5.16 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 0.00 240 T 8.62 4.67 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 0.00 241 V 8.41 4.00 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 0.48 0.00 0.00 0.85 0.00 0.00 242 L 8.24 4.21 0.00 1.82 1.58 0.93 0.76 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 * Residues marked with a * may have inaccurate shift predictions.