NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.3063 7.8785 121.0474 61.0579 39.7496 174.6046 17 A 4.6553 9.1427 132.1360 49.0917 21.7859 174.5515 18 G 3.5716 8.4803 108.0216 46.6354 0.0000 173.6590 19 G 4.2520 9.0412 109.5401 46.5798 0.0000 172.9868 *29 E 4.7531 7.9223 117.8488 55.8164 31.4485 174.9722 30 A 4.8034 8.6680 123.3480 52.2430 19.4111 177.1039 31 I 4.9226 8.7803 114.8117 59.4096 40.7452 174.5228 32 T 5.3238 8.9619 113.9267 60.5965 73.1120 172.8174 33 T 4.0662 8.4810 116.9346 60.5054 69.9024 173.3729 34 G 3.8504 8.7130 119.8292 47.0164 0.0000 174.7166 *39 G 3.9215 8.6386 113.0255 45.0874 0.0000 171.7020 40 S 4.7497 8.0834 117.1182 57.0164 64.8752 173.2326 41 R 5.1508 8.5097 123.0030 55.0868 33.1002 174.7985 42 C 5.1936 9.2328 121.4997 55.8029 45.1905 172.5683 43 S 5.3498 8.8609 114.9217 56.8263 65.8300 174.4279 44 L 3.6835 9.0892 125.4962 55.3490 42.5960 176.6774 45 G 4.1826 9.1854 114.2473 48.2495 0.0000 173.1152 46 F 5.1012 7.5620 116.4300 55.0511 44.4706 173.0675 47 N 5.1873 8.9549 119.4957 53.2148 40.2170 174.5808 48 V 4.9847 9.1984 115.2469 60.1003 37.2769 173.6760 48A S 5.1772 9.4308 115.9089 56.6375 65.5602 172.9502 48B V 4.3788 8.8579 126.5411 60.8901 33.6043 175.1818 48C N 4.1931 9.6994 128.2673 54.4179 35.8804 175.9871 48D G 3.9350 7.8679 103.5782 45.4722 0.0000 173.8462 49 V 4.0415 7.7767 120.8596 61.0948 32.6884 174.5752 50 A 4.7087 8.4777 129.4275 52.5663 19.5105 175.9126 51 H 5.3074 9.6642 119.0545 54.2333 34.4947 172.0750 52 A 5.1261 9.2055 120.3016 50.4097 22.1977 175.5879 53 L 4.8820 9.0399 122.6303 54.8138 44.0504 176.2858 54 T 4.4708 8.3140 114.8694 61.3574 71.2251 172.3929 55 A 4.5855 8.5394 123.5603 51.4806 18.7981 179.0533 56 G 3.7356 8.7913 109.8592 46.6961 0.0000 175.6605 57 H 3.6393 8.2469 118.7849 58.4863 29.5370 176.5813 58 C 4.4894 7.1805 118.5920 60.0869 38.9099 175.8100 59 T 3.8067 7.8394 111.0867 64.8834 67.9038 175.5799 58 N 4.6794 7.2605 118.6920 54.9869 45.7800 176.4100 59 I 3.6267 7.6894 117.3867 64.1834 36.9038 177.2799 64 S 4.6671 7.1756 110.1103 57.3159 65.1274 173.5074 65 A 4.4126 8.5058 125.2255 52.8475 19.1601 176.7804 65A S 4.9726 7.9184 111.0759 56.2510 63.7574 173.2402 66 W 4.8560 9.1839 127.1709 53.9854 31.9963 176.6243 *84 S 4.4576 8.4700 114.1642 58.1031 64.2662 174.7930 85 I 4.2177 8.3971 112.1822 60.1215 38.7048 175.9971 86 G 4.5263 6.5579 107.2039 45.9797 0.0000 170.3793 87 T 5.1297 7.7098 116.4363 61.5665 70.9516 174.4169 88 R 4.4825 9.2010 127.9582 56.8464 30.5221 176.1595 89 T 4.5801 8.4418 115.0519 60.8739 69.9869 173.8986 90 G 4.0662 7.6733 106.5294 46.4609 0.0000 172.5353 91 T 4.9819 8.0571 115.6394 60.7969 71.5566 172.5240 *93 S 4.5237 8.5796 121.3798 58.8491 63.4867 171.9895 94 F 5.4642 8.6178 126.2400 57.3650 42.5606 172.2269 *99A P 2.9700 0.0000 0.0000 64.0355 31.4185 173.8725 100 N 4.7543 8.1097 117.4571 53.2706 39.5785 176.3476 101 N 5.1230 7.2538 112.9812 52.0955 41.6054 174.4557 102 D 5.2126 8.7061 116.2511 53.2174 41.6409 173.3190 103 Y 5.3104 8.2525 119.7906 55.8829 42.6541 175.5014 104 G 5.1052 8.9899 106.1573 45.9281 0.0000 171.6281 105 I 5.1169 8.6962 119.6922 59.2594 42.0906 173.6738 106 I 4.8944 8.3596 128.2834 59.3929 40.9588 174.4811 107 R 4.2296 8.9753 128.2921 55.8161 31.2091 175.3099 108 H 4.7299 8.5389 124.2484 55.9979 29.0727 176.2651 109 S 4.1496 9.2594 119.2031 60.5175 63.0867 173.0005 110 N 4.8076 7.8534 118.7271 50.4539 39.5147 172.4132 111 P 4.1186 0.0000 0.0000 65.2354 31.4704 178.7450 112 A 3.9779 7.8547 120.4749 54.4560 18.3105 178.1548 113 A 4.0998 7.8744 117.4782 53.6586 18.8459 178.7155 114 A 4.0749 7.2168 119.4604 51.4615 16.1390 174.7301 115 D 4.4329 8.1579 118.4390 53.2929 41.8835 177.3850 116 G 4.0837 8.3096 118.4412 45.7411 0.0000 171.4593 117 R 5.1675 7.7216 118.1501 54.5534 36.1091 175.2226 118 V 4.7505 8.7609 119.5647 61.3032 34.1907 173.8636 119 Y 4.1566 8.7762 129.8964 57.2458 37.9018 175.1917 120 L 4.1848 7.9722 125.5404 54.3398 42.2814 176.6909 120A Y 2.8490 5.3700 115.5984 58.5104 35.0641 170.3945 120B N 4.8281 6.8802 111.5449 52.7759 38.0098 175.4620 120C G 3.9957 8.1387 106.4750 46.3384 0.0000 173.4187 120D S 5.0421 7.9507 113.8686 56.5895 66.0908 171.9676 121 Y 5.1673 8.4948 118.3493 56.2681 42.1705 174.5084 122 Q 4.6237 9.2633 123.5208 54.5048 31.2990 174.2904 123 D 4.8799 8.7439 126.1383 54.1689 42.8754 174.4877 124 I 4.9860 8.2590 125.8986 59.9797 38.6454 175.5859 125 T 4.5487 9.1059 115.5429 62.1825 71.2661 173.1817 126 T 4.7463 7.7247 114.5705 60.4935 71.7459 171.7773 127 A 5.0365 8.5136 124.1029 50.2845 21.6839 175.8911 128 G 4.1609 9.0638 106.8195 45.4295 0.0000 171.2112 129 N 5.0862 8.6753 116.0057 51.1245 40.7687 175.0281 130 A 4.4661 8.3697 124.8161 51.8344 19.6534 176.7707 131 F 5.0234 8.0596 113.8196 54.3950 41.0029 174.8099 132 V 3.9091 8.4808 122.8479 64.6691 31.6292 176.2564 133 G 3.9949 9.0312 116.1830 44.8587 0.0000 173.0789 134 Q 3.8370 7.6364 121.9801 55.4539 30.1378 174.9129 135 A 4.5191 8.3605 128.3212 52.0084 19.1992 176.8727 136 V 4.4570 8.6369 115.1392 59.7484 36.7658 174.5234 137 Q 4.8138 8.2423 119.2496 54.1358 33.1111 174.6973 138 R 5.1252 9.0762 121.5061 54.6656 33.6563 173.7960 139 S 5.3417 9.0608 119.9384 56.6966 65.0444 172.8582 140 G 4.3536 9.0582 112.9135 45.1369 0.0000 174.1833 141 S 4.5926 9.1042 115.8014 59.7175 63.6025 175.6370 142 T 4.1842 8.7346 119.2113 65.7636 68.5266 176.4533 143 T 4.3035 7.9000 108.8030 62.0616 70.8204 174.3180 *156 G 3.3520 7.2389 108.9131 45.6069 0.0000 173.7140 157 L 5.3734 8.5126 127.4311 53.3119 43.6378 174.8672 158 R 4.9080 8.9648 123.8820 54.5773 34.9204 173.9998 159 S 4.9187 8.4727 114.7215 56.4467 66.4839 174.2643 160 G 4.0238 7.9681 107.2473 46.1406 0.0000 172.0991 161 S 4.9481 8.2535 115.8858 56.7521 67.2737 174.0419 162 V 4.2805 8.2939 121.8696 63.1629 31.7931 176.2958 163 T 4.4831 8.6627 117.6114 61.6991 70.3414 174.1577 164 G 4.2315 7.5126 107.3673 45.7182 0.0000 172.2393 165 L 5.1946 8.2807 119.7660 52.3892 45.9054 175.3068 166 N 4.0349 8.8372 115.3027 54.5403 37.6985 173.9844 167 A 4.4228 8.3319 117.9326 51.7313 20.3296 177.6528 168 T 4.6253 8.3397 118.1844 62.3875 70.1270 174.4534 169 V 3.7037 8.3464 126.4193 60.7396 34.2672 173.6396 170 N 4.6696 8.3214 127.2318 52.2216 39.5199 173.6095 171 Y 4.8652 8.8041 124.8940 57.4217 39.5555 177.3382 172 G 3.9286 8.8100 115.0226 46.3827 0.0000 178.5675 173 S 4.1292 9.0715 119.5375 60.9339 62.5928 175.3439 174 S 4.2984 7.8808 115.3415 59.2992 63.0482 173.5798 175 G 3.7256 8.2923 106.4885 44.2511 0.0000 171.7213 176 I 4.6396 7.8538 117.8649 59.3361 40.0157 175.5704 177 V 4.5275 8.1187 119.3173 59.6701 34.5516 174.4193 178 Y 4.7176 8.3319 120.9326 56.2778 41.3295 175.2412 179 G 3.9854 8.7441 106.8079 47.1195 0.0000 173.7424 180 M 4.7446 7.9727 118.4423 54.2824 33.9634 176.3179 181 I 4.4262 8.9252 123.5906 61.2596 38.8646 174.6519 182 Q 5.1321 9.4890 127.8200 54.6166 31.7823 174.3283 183 T 5.1186 8.8132 115.3699 59.8322 73.4599 173.1041 184 N 4.8548 8.3876 117.1778 53.0017 38.5998 174.3851 *190 V 4.6381 8.0250 117.9712 63.6867 32.4051 174.1217 191 C 4.5491 8.7998 121.2738 55.4622 42.6933 172.1613 192 A 4.6940 7.7820 121.4580 51.8015 21.5624 175.2563 192A Q 4.6168 9.0336 117.9031 53.0649 33.0529 173.3479 192B P 4.3140 0.0000 0.0000 64.5410 31.6342 176.3295 193 G 4.3583 8.8611 109.7947 46.9867 0.0000 174.4922 194 D 4.5019 8.3623 118.7983 56.0306 41.4513 176.8010 195 S 4.3870 7.8184 116.0737 60.0890 63.5106 175.2443 196 G 4.4229 8.8509 112.5538 46.4357 0.0000 173.7891 197 G 4.2076 7.4805 106.3480 45.4290 0.0000 173.0785 198 S 4.4935 8.4509 116.2815 58.0561 64.2214 173.1593 199 L 5.0288 9.1906 126.9604 53.2702 44.3332 175.1505 200 F 5.4813 8.8533 119.9952 55.9657 42.6026 173.3934 201 A 4.4300 9.0572 120.5038 50.0413 20.6997 176.8016 202 G 3.7806 8.7700 114.0410 47.8400 0.0000 173.2408 *207 S 5.1633 8.3737 119.3215 58.1304 65.7276 172.5721 208 T 5.0070 7.8503 117.8378 62.0906 70.4306 173.7174 209 A 4.2800 8.9265 129.8207 51.9037 19.0976 177.5925 210 L 4.5251 9.1287 121.1152 56.0208 45.4826 176.4642 211 G 4.5767 7.9012 103.3456 45.8377 0.0000 171.8460 212 L 5.5228 8.9379 119.4895 52.7472 45.1265 176.9361 213 T 3.6611 9.0789 121.1585 64.5285 68.9148 173.9044 214 S 4.3459 8.3759 121.1893 58.7287 63.8875 173.9158 215 G 4.0359 6.4137 103.3947 48.8808 0.0000 171.0286 216 G 4.1964 7.9476 106.5137 46.1467 0.0000 171.4740 217 S 4.7524 8.1724 113.6754 57.3907 66.4810 175.0445 218 G 4.0263 10.2247 108.0453 45.7279 0.0000 171.1523 219 N 4.8241 7.9990 116.1929 52.6348 40.2039 174.2230 220 C 4.6034 10.0896 117.7266 58.4851 40.3075 175.5603 221 R 4.2748 8.6880 119.5655 57.4472 29.9272 182.3232 222 T 4.2726 8.1828 105.6405 60.7662 70.0705 175.0398 223 G 3.8065 8.5342 110.3580 44.9023 0.0000 171.5944 224 G 4.5725 7.0890 102.9158 46.7430 0.0000 172.1313 225 T 4.9886 7.3334 115.6222 61.8605 71.4003 174.1111 226 T 4.8427 8.4753 114.4632 59.8898 72.8739 172.5304 227 F 5.4668 9.0689 121.3862 56.0383 42.3372 174.0794 228 Y 5.1515 9.1965 119.6958 56.0723 42.0337 174.5213 229 Q 4.5726 9.2474 125.3977 55.0033 30.4737 173.6735 230 P 4.7790 0.0000 0.0000 62.8035 32.0963 177.8065 231 V 3.8806 8.9096 124.5740 64.9480 31.3474 178.7403 232 T 3.7902 7.9573 110.1453 64.7067 68.4478 175.8884 233 E 3.8874 7.9711 120.5155 58.7904 29.1772 178.6629 234 A 2.6648 7.7094 120.3958 54.6068 18.4546 179.3708 235 L 3.9402 7.9666 117.8923 58.0767 41.3122 180.0668 235A S 4.1043 8.1272 113.8387 61.2281 62.6870 176.2563 236 A 3.8297 7.5110 123.6873 54.0872 18.0039 178.1155 237 Y 4.8066 6.9587 111.2614 56.5337 39.1925 175.7433 238 G 3.8609 7.7123 106.9357 46.8156 0.0000 173.5441 239 A 5.1829 8.2207 119.9620 50.0823 22.1099 177.4037 240 T 4.6757 8.5941 108.7429 59.6692 72.1830 174.0940 241 V 4.0163 8.4059 117.4970 61.3880 32.7725 176.2783 242 L 4.2086 8.4783 122.7598 55.0892 41.6286 176.7779 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 4.31 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 9.14 4.66 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.48 3.57 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 0.00 0.00 0.00 19 G 9.04 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 E 7.92 4.75 0.00 2.09 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 2.21 2.17 0.00 30 A 8.67 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 8.78 4.92 2.04 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 1.03 0.93 0.00 0.00 32 T 8.96 5.32 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 1.27 0.00 0.00 33 T 8.48 4.07 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 0.14 0.00 0.00 34 G 8.71 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 *39 G 8.64 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 40 S 8.08 4.75 0.00 3.70 3.75 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 41 R 8.51 5.15 0.00 1.80 1.78 0.00 3.22 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 42 C 9.23 5.19 0.00 2.99 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 8.86 5.35 0.00 3.76 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 44 L 9.09 3.68 0.00 1.66 1.50 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.19 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 0.00 0.00 0.00 0.00 46 F 7.56 5.10 0.00 2.99 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 47 N 8.95 5.19 0.00 2.83 2.77 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 9.20 4.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 48A S 9.43 5.18 0.00 3.82 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 48B V 8.86 4.38 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 1.01 0.00 0.00 0.78 0.00 0.00 48C N 9.70 4.19 0.00 2.88 2.87 0.00 0.00 7.22 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 7.87 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 49 V 7.78 4.04 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 0.92 0.00 0.00 1.05 0.00 0.00 50 A 8.48 4.71 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 9.66 5.31 0.00 3.04 3.22 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 9.21 5.13 1.09 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 0.00 0.00 53 L 9.04 4.88 0.00 1.90 1.70 1.07 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.31 4.47 4.05 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 0.82 0.00 0.00 55 A 8.54 4.59 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.79 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 0.00 0.00 0.00 57 H 8.25 3.64 0.00 1.40 2.75 0.00 5.75 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 7.18 4.49 0.00 3.21 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 7.84 3.81 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 0.87 0.00 0.00 58 N 7.26 4.68 0.00 3.11 2.97 0.00 0.00 7.01 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 7.69 3.63 1.91 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 0.57 0.00 0.00 64 S 7.18 4.67 0.00 3.60 3.30 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 65 A 8.51 4.41 1.35 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 0.00 0.00 65A S 7.92 4.97 0.00 3.79 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 9.18 4.86 0.00 3.56 3.20 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 *84 S 8.47 4.46 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 8.40 4.22 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.96 0.00 0.00 86 G 6.56 4.53 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 0.00 0.00 0.00 87 T 7.71 5.13 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 1.30 0.00 0.00 88 R 9.20 4.48 0.00 1.98 1.96 0.00 3.28 0.00 0.00 3.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 89 T 8.44 4.58 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 1.29 0.00 0.00 90 G 7.67 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 8.06 4.98 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 1.37 0.00 0.00 *93 S 8.58 4.52 0.00 3.93 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 94 F 8.62 5.46 0.00 2.95 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 *99A P 0.00 2.97 0.00 1.92 0.93 0.00 3.68 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 100 N 8.11 4.75 0.00 3.00 2.96 0.00 0.00 7.53 6.26 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 0.00 101 N 7.25 5.12 0.00 2.51 2.35 0.00 0.00 6.30 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 8.71 5.21 0.00 2.89 2.71 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 0.00 103 Y 8.25 5.31 0.00 3.15 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 0.00 104 G 8.99 5.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.70 5.12 1.42 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 1.63 0.02 0.00 0.00 106 I 8.36 4.89 1.67 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.29 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0.00 2.70 2.67 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 0.00 116 G 8.31 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 7.72 5.17 0.00 1.81 2.03 0.00 3.02 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 118 V 8.76 4.75 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 0.59 0.00 0.00 0.65 0.00 0.00 119 Y 8.78 4.16 0.00 2.65 2.52 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 0.00 120 L 7.97 4.18 0.00 1.73 1.56 0.96 1.05 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 120A Y 5.37 2.85 0.00 3.03 2.93 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 120B N 6.88 4.83 0.00 2.68 2.76 0.00 0.00 6.87 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 8.14 4.00 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 0.00 0.00 0.00 0.00 157 L 8.51 5.37 0.00 1.74 1.58 1.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.96 4.91 0.00 1.69 1.70 0.00 3.24 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 159 S 8.47 4.92 0.00 3.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.97 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.25 4.95 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.29 4.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.72 0.00 0.00 163 T 8.66 4.48 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 1.24 0.00 0.00 164 G 7.51 4.23 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 0.00 173 S 9.07 4.13 0.00 4.02 4.05 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 0.00 174 S 7.88 4.30 0.00 4.21 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 0.00 175 G 8.29 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.85 4.64 1.57 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 1.19 0.33 0.19 0.00 0.00 177 V 8.12 4.53 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 0.72 0.00 0.00 0.67 0.00 0.00 178 Y 8.33 4.72 0.00 2.84 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 0.00 179 G 8.74 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 0.00 180 M 7.97 4.74 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 181 I 8.93 4.43 2.08 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 0.85 0.93 0.00 0.00 182 Q 9.49 5.13 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 183 T 8.81 5.12 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 1.07 0.00 0.00 184 N 8.39 4.85 0.00 2.86 3.01 0.00 0.00 6.98 7.56 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 *190 V 8.03 4.64 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 1.06 0.00 0.00 0.83 0.00 0.00 191 C 8.80 4.55 0.00 3.13 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 7.78 4.69 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 192A Q 9.03 4.62 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 192B P 0.00 4.31 0.00 2.01 1.98 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 8.86 4.36 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 0.00 194 D 8.36 4.50 0.00 2.90 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 7.82 4.39 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.85 4.42 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 0.00 197 G 7.48 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 8.45 4.49 0.00 3.81 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 0.00 199 L 9.19 5.03 0.00 1.39 1.54 0.17 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 200 F 8.85 5.48 0.00 3.44 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 0.00 201 A 9.06 4.43 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 8.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 S 8.37 5.16 0.00 3.98 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 0.00 208 T 7.85 5.01 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 209 A 8.93 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 9.13 4.53 0.00 1.70 1.65 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 211 G 7.90 4.58 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 0.00 0.00 0.00 212 L 8.94 5.52 0.00 1.74 1.66 1.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 213 T 9.08 3.66 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 1.01 0.00 0.00 214 S 8.38 4.35 0.00 3.98 4.13 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 0.00 215 G 6.41 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 0.00 216 G 7.95 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 0.00 217 S 8.17 4.75 0.00 3.98 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 0.00 218 G 10.22 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 8.00 4.82 0.00 3.12 2.90 0.00 0.00 7.44 7.82 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 0.00 220 C 10.09 4.60 0.00 3.08 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 8.69 4.27 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 222 T 8.18 4.27 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 1.25 0.00 0.00 223 G 8.53 3.81 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 0.00 224 G 7.09 4.57 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 0.00 0.00 0.00 225 T 7.33 4.99 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 0.89 0.00 0.00 226 T 8.48 4.84 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 1.21 0.00 0.00 227 F 9.07 5.47 0.00 3.06 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 0.00 228 Y 9.20 5.15 0.00 2.93 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 0.00 229 Q 9.25 4.57 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 230 P 0.00 4.78 0.00 2.31 2.06 0.00 3.81 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 231 V 8.91 3.88 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 0.75 0.00 0.00 1.05 0.00 0.00 232 T 7.96 3.79 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 1.24 0.00 0.00 233 E 7.97 3.89 0.00 2.16 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 0.00 2.44 2.39 0.00 234 A 7.71 2.66 1.17 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 0.00 0.00 235 L 7.97 3.94 0.00 1.78 1.86 0.85 0.94 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 235A S 8.13 4.10 0.00 4.00 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 7.51 3.83 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 0.00 237 Y 6.96 4.81 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 0.00 238 G 7.71 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 0.00 239 A 8.22 5.18 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 0.00 240 T 8.59 4.68 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 4.02 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 0.49 0.00 0.00 0.84 0.00 0.00 242 L 8.48 4.21 0.00 1.75 1.56 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.