NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.0886 8.1648 122.9792 52.2338 19.9135 176.4517 3 S 4.5941 9.1464 118.5920 57.3665 64.1396 172.5924 4 H 4.3577 9.5360 120.5102 56.5682 29.7711 175.6351 5 E 4.4894 8.7557 121.7990 55.1365 29.1887 175.9001 6 L 4.3890 8.4821 124.3131 54.4107 42.9714 176.4830 7 D 5.2714 8.0791 120.2012 53.5152 43.7986 174.6973 8 Y 5.3471 7.6990 116.7282 56.3624 40.9558 173.7689 9 R 4.7150 8.8562 116.0719 54.5245 33.1353 174.1260 10 I 4.8014 8.5926 122.5433 60.3880 38.4426 174.9962 11 L 4.5314 9.3182 127.9746 54.4803 43.9144 177.1244 12 G 3.9839 9.0506 107.9156 45.2749 0.0000 171.3631 13 E 4.3638 7.6862 116.5954 56.8848 31.2382 176.1749 14 S 4.5255 7.7362 117.2668 59.3212 64.0759 174.4292 *16 Q 4.4112 7.8601 117.6023 56.3295 29.9253 174.8105 17 T 4.8615 8.3507 115.0645 61.9762 73.3624 173.4361 18 V 4.4015 8.2213 125.2465 60.5015 33.5433 174.4249 19 E 4.5818 8.8404 127.3392 54.8822 30.9605 174.7043 20 I 4.7125 8.5441 128.9904 60.2328 39.1082 174.3450 21 E 5.0897 9.2321 127.6918 54.4614 31.8964 174.3392 22 L 5.1308 9.1851 127.2164 53.0863 44.7355 176.2347 23 D 4.9722 9.8660 124.0885 52.4812 42.8690 174.1990 24 P 4.1926 0.0000 0.0000 64.7645 31.5104 177.2122 25 G 3.9132 9.0155 110.9872 45.5468 0.0000 173.2235 26 E 4.5398 8.2050 119.8237 56.0627 31.4712 175.7290 27 T 5.3602 8.7358 117.7636 61.8648 72.9928 173.2085 28 V 4.9276 8.9411 124.6222 60.0061 35.1085 174.2861 29 I 5.0435 8.7736 123.9324 59.8901 39.0381 174.6223 30 A 5.0245 8.8143 127.5865 50.1656 22.4359 175.8523 31 E 4.0508 8.9158 117.2306 55.8232 30.4077 176.7512 32 A 4.0808 8.3179 123.7829 53.7295 18.9822 177.8825 33 G 3.9571 8.9428 108.8259 45.5568 0.0000 174.4616 34 A 4.3675 7.4104 124.6583 51.6503 16.8683 177.4204 *36 N 4.6140 7.9141 121.8139 52.1971 41.4150 174.4744 37 Y 4.4607 6.2084 112.5109 55.9544 40.4804 173.5549 *39 T 4.3951 8.2574 108.8489 61.5308 69.9334 174.5099 40 G 3.7358 8.7495 109.9000 48.3808 0.0000 174.0205 41 D 4.7674 8.6472 117.6757 53.9053 41.6793 176.1770 42 I 4.4619 7.4570 121.6813 61.6798 37.6866 175.6863 43 R 5.0054 9.5580 125.0269 54.5090 34.5510 174.1570 44 F 5.7829 8.1930 114.0543 55.2794 41.0214 173.6513 45 T 4.7549 8.2566 108.9675 59.5581 72.5693 173.2567 46 A 4.5389 8.7092 125.8143 51.9497 19.2396 176.4368 47 R 3.6346 7.9823 121.1933 55.6763 29.9531 174.2127 *76 T 4.2656 7.7335 115.1367 61.7603 69.7426 171.5524 77 H 5.4320 8.8618 125.2247 54.5779 30.9169 173.8197 78 F 5.4266 9.7146 122.9300 56.1474 41.3883 174.9415 79 T 5.1729 9.3351 120.2596 61.5402 72.5799 173.0588 80 N 4.8129 8.9244 124.6532 53.5593 39.3025 174.2745 81 E 4.6881 9.2094 125.9799 55.1919 30.0807 176.4940 82 G 4.0327 7.9282 112.7650 44.8855 0.0000 173.6567 83 Q 4.5583 9.3631 122.9964 54.8771 30.9626 177.7286 84 G 3.8568 8.4739 108.6975 45.0085 0.0000 172.1745 85 K 4.3462 8.5548 119.1015 56.4848 32.6163 176.8469 86 Q 4.7438 8.9839 123.3525 54.3061 32.9766 174.1450 87 H 5.9343 9.3400 117.6585 53.0245 32.4081 173.2831 88 V 4.2219 8.2111 121.2367 60.8136 33.2102 173.7239 89 A 4.6189 7.6870 129.1590 49.9941 21.6788 175.5571 90 F 5.1341 8.7719 119.0974 55.6155 42.9071 174.1040 91 A 4.9608 8.6690 123.1704 49.8654 22.3025 175.8976 92 A 4.0154 8.1796 122.2589 51.2922 19.1356 176.0225 93 P 4.7239 0.0000 0.0000 62.6661 31.5467 175.5122 94 Y 5.0355 7.0034 115.2924 55.4299 41.1385 172.5564 95 P 4.3741 0.0000 0.0000 62.5054 32.1861 176.3527 96 G 4.0668 7.6972 108.9937 45.8255 0.0000 171.5934 97 S 4.8607 7.5724 113.4465 56.6309 66.1745 173.1586 98 V 4.6614 8.5819 120.8272 61.4119 33.1270 175.1397 99 V 4.4478 8.6773 127.1542 60.9087 34.0567 174.0910 100 A 3.9217 8.6024 130.2745 51.2253 19.4076 176.3777 101 V 4.1073 8.4594 123.7285 60.8301 34.6669 174.1122 102 D 4.6926 8.5356 127.8542 53.0459 41.7165 176.7121 103 L 3.9828 8.5022 127.7908 57.8925 42.1407 179.3522 104 D 4.3417 8.4302 118.6221 57.4953 40.8048 178.0775 105 D 4.5858 8.0802 116.9371 56.0051 41.0981 176.7787 106 V 4.4679 7.0431 113.2855 61.0952 32.6344 176.3221 107 G 3.6313 9.3316 104.6244 46.6327 0.0000 175.2072 108 G 3.8687 9.3614 105.9443 45.2558 0.0000 173.5981 109 R 4.8614 7.8253 119.2292 54.6678 33.3152 174.0453 110 L 4.6382 8.7132 128.2740 53.1866 45.5378 174.8767 111 F 4.8190 8.7543 124.8990 56.3173 41.0781 174.5948 112 C 4.9323 8.6917 122.7826 57.5754 35.2720 172.9061 113 Q 4.2706 9.2697 128.6332 56.1876 29.3435 176.7625 114 K 4.1029 8.7286 127.4218 59.0680 32.3008 178.6293 115 D 4.4615 8.0074 116.1921 56.9847 41.1524 177.8513 116 S 4.3728 8.0847 115.3438 60.7447 63.1308 174.2949 117 F 4.2551 7.7781 123.0644 58.1113 39.3706 172.6371 118 L 4.4514 6.8697 128.1969 55.5627 43.5509 175.7211 119 C 4.5302 6.6523 110.2139 57.5672 33.0730 171.3935 120 A 5.0854 8.5254 119.1583 50.4411 22.7696 175.7682 121 A 4.4071 8.9250 122.8041 51.7639 19.8872 176.9971 122 Y 4.0305 8.5419 123.2037 59.3341 39.3010 176.9583 123 G 3.7824 7.7404 114.2177 45.5649 0.0000 174.0658 124 T 4.0699 7.5952 117.0880 63.7236 69.1384 174.2689 125 R 4.3142 9.0598 126.3286 54.8794 31.9255 175.4256 126 V 4.4070 8.3333 124.3745 61.1487 33.3265 174.5834 127 G 4.2316 8.7636 114.3751 44.4965 0.0000 170.6189 128 I 4.7524 8.1774 119.8919 59.7426 37.8219 176.1962 129 A 4.5290 9.3025 130.0566 54.3038 19.7394 177.2763 130 F 4.9471 7.9387 114.5745 57.9377 42.9089 173.3176 131 T 4.9942 7.6666 120.8163 61.9751 72.5035 173.1893 132 K 4.3797 8.6937 126.7383 54.9202 35.4306 175.4355 133 R 4.5460 8.6888 126.5458 54.9390 31.0598 175.8076 134 L 4.5966 8.5121 121.4015 53.9952 43.0175 176.2749 135 G 3.3996 7.9121 105.2172 46.2712 0.0000 174.8809 *144 F 4.4823 7.6967 120.7235 57.9460 41.1934 173.6394 145 I 4.8894 7.3616 126.6217 59.2830 40.7606 174.4626 146 L 4.9735 8.8017 127.0739 53.3062 43.3416 176.0782 147 Q 4.7137 8.9448 123.6156 54.8070 31.2528 174.5491 148 K 4.3047 8.5451 123.0359 54.7340 34.3141 174.7475 149 L 4.9898 8.7960 128.2431 53.1555 43.9537 175.4876 150 E 5.5051 9.1054 122.4967 52.7701 33.5261 176.5051 151 G 3.5616 7.4228 109.3796 45.7514 0.0000 172.8923 152 D 4.8570 8.2720 122.4268 52.7448 40.8201 175.3399 153 G 4.5520 7.6232 108.4829 45.2203 0.0000 171.8439 154 L 4.8881 8.3571 119.2487 53.7281 43.3613 176.5463 155 V 4.6394 8.2300 116.6334 59.3948 35.5137 174.8295 156 F 4.8527 8.5973 121.3270 55.9441 42.0289 175.0225 157 V 4.5526 8.1493 117.2390 59.9346 34.5381 174.3621 158 H 5.2520 8.9556 121.5687 54.3257 32.6918 172.6465 159 A 4.7850 8.7970 127.4016 49.7295 21.1786 175.9216 160 G 4.4605 9.6017 111.5243 46.5129 0.0000 172.2420 161 G 4.4123 9.0093 114.5452 46.9241 0.0000 175.9966 162 T 4.6183 9.7056 122.4616 61.2761 70.5381 172.5804 163 L 4.6495 8.5301 127.5011 55.2780 43.1819 176.0243 164 I 4.4637 9.1714 127.2536 59.6194 39.8193 174.3244 165 R 4.7439 8.5541 128.0229 55.1848 31.1592 175.6674 166 R 4.6884 8.7782 124.2965 54.3723 34.6963 173.7068 167 Q 4.8912 8.5793 122.5958 54.3585 31.4869 174.3599 168 L 4.8303 8.8288 126.5199 53.4317 44.0668 175.3611 169 N 4.5491 9.1563 121.0971 50.9705 39.8961 174.6286 170 G 4.0194 8.1929 116.5472 46.0910 0.0000 169.9221 171 E 4.9011 7.9175 114.6719 54.7248 34.2379 175.5621 172 T 5.0388 8.4086 110.3027 59.9295 71.0010 173.3942 173 L 4.7836 9.0374 126.7664 53.2657 45.5494 174.9066 174 R 5.0634 8.6253 124.3932 54.6198 32.0839 175.8259 175 V 4.5237 8.7579 117.1357 58.8867 35.9516 174.6884 176 D 4.6254 8.7262 123.1595 55.2229 41.5025 177.2560 177 T 3.7471 8.0919 122.2504 66.0414 68.6059 176.6822 178 G 3.8090 7.5589 108.1312 47.9747 0.0000 174.1270 179 C 4.3595 8.2888 117.3950 60.7303 28.4396 172.9175 180 L 4.7099 7.5783 122.6292 54.2846 41.4997 176.3190 181 V 4.0621 9.0426 127.2499 65.1086 32.3456 175.4543 182 A 5.0874 8.0449 119.6462 51.6288 22.7101 173.9279 183 F 6.0934 9.0042 113.8164 57.4042 41.9330 173.3960 184 T 4.9409 8.7485 110.1860 59.9572 70.9270 173.9702 185 D 4.7169 8.8403 121.5798 55.4817 41.4212 177.3651 186 G 4.2584 9.1111 108.1599 46.0922 0.0000 172.7883 187 I 4.9044 7.4571 119.9479 59.6027 39.3423 174.8280 188 D 4.8970 9.4504 128.2789 53.4784 42.4885 175.2112 189 Y 5.8189 7.9082 119.2249 55.1255 41.3926 173.7470 190 D 4.6701 8.3981 118.6576 52.2575 43.1580 173.7251 191 V 4.7417 8.5083 120.4505 61.7604 32.9339 174.9284 192 Q 4.7244 8.8372 125.7750 53.6975 33.5051 174.5225 193 L 4.3980 8.5674 121.8893 55.0026 41.5955 176.9277 194 A 3.5621 9.9643 127.4799 55.4800 18.4569 178.4008 195 G 3.7228 8.8689 106.3653 45.8315 0.0000 175.3151 196 G 3.7459 8.2425 108.8990 44.0528 0.0000 173.2371 *203 G 3.9141 8.1099 111.9017 45.9568 0.0000 172.7223 204 G 3.7852 8.2887 106.4420 44.5000 0.0000 172.6777 205 E 4.7163 8.5353 116.3152 56.7809 31.9544 176.0310 206 G 3.7966 8.3651 104.3504 46.5469 0.0000 173.1890 207 L 4.4676 7.2916 120.0879 53.6867 44.4098 175.9080 208 L 4.5385 8.4035 127.2776 54.1153 43.4007 175.5099 209 L 5.0591 9.2315 126.1541 53.5370 44.9383 174.9057 210 T 4.9827 8.9166 123.6771 62.6054 70.5804 173.7114 211 T 4.5352 8.5186 123.7394 62.1060 70.5398 173.6928 212 L 5.3586 8.8549 127.1324 52.7736 44.7340 175.7510 213 K 5.4503 9.0443 121.4358 56.0371 35.9892 174.0942 214 G 4.0516 8.1188 107.4485 44.5080 0.0000 173.6151 215 S 4.8227 9.8136 119.3938 55.5860 66.8034 174.4458 216 G 4.1652 7.4378 111.7543 46.1247 0.0000 170.1161 217 T 4.8059 7.6528 115.9912 62.1746 70.4792 174.6823 218 V 5.0505 8.5471 119.1655 59.3759 35.0954 174.5050 219 W 5.1985 10.1403 124.9736 55.0238 31.5610 175.0244 220 L 5.5321 9.3290 124.6745 52.8998 44.9293 175.3992 221 Q 5.2905 9.0732 119.5266 54.6171 30.7749 175.7969 222 S 4.3330 8.9356 115.8352 60.0946 64.3790 174.1823 223 L 4.9111 8.3703 123.3960 51.9309 42.0383 173.4415 224 P 4.7154 0.0000 0.0000 61.8523 32.6155 177.9000 225 F 3.7458 8.7919 123.0460 61.7675 38.9542 177.8243 226 S 3.6286 8.0040 113.0260 61.1245 62.7707 176.4238 227 R 3.7924 7.6933 121.9064 59.0610 30.0072 177.7026 228 L 3.8349 7.7163 119.9028 58.2211 41.9587 178.6177 229 A 3.7526 8.1657 121.2686 55.1726 18.3046 179.5675 230 G 3.6576 7.9263 103.8880 48.1618 0.0000 175.7286 231 R 3.9387 8.3864 121.2089 59.0331 30.1374 178.4712 232 I 3.6575 7.7135 119.6617 64.6011 37.0466 177.3170 233 Y 3.9462 8.1740 120.5342 61.0803 38.2843 177.9384 234 D 4.2070 8.1175 116.8211 57.3487 41.4209 177.7646 235 A 4.2007 8.0063 120.0793 54.4429 18.5429 177.4464 236 T 4.3205 7.6220 105.5653 63.1722 70.6914 174.5081 237 F 4.0493 8.4156 126.2422 56.9190 38.8894 175.3855 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 2 A 8.16 5.09 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 3 S 9.15 4.59 0.00 3.84 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 4 H 9.54 4.36 0.00 3.13 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.76 4.49 0.00 1.89 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 2.30 2.37 0.00 6 L 8.48 4.39 0.00 1.86 1.74 1.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.08 5.27 0.00 2.76 2.56 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 8 Y 7.70 5.35 0.00 2.93 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 9 R 8.86 4.71 0.00 1.87 1.97 0.00 2.74 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 10 I 8.59 4.80 2.00 0.00 0.00 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 1.43 0.87 0.99 0.00 0.00 11 L 9.32 4.53 0.00 1.56 1.58 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.05 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 13 E 7.69 4.36 0.00 1.96 1.83 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 2.23 2.25 0.00 14 S 7.74 4.53 0.00 3.87 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 *16 Q 7.86 4.41 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 17 T 8.35 4.86 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 1.17 0.00 0.00 18 V 8.22 4.40 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 0.59 0.00 0.00 0.44 0.00 0.00 19 E 8.84 4.58 0.00 2.05 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 2.23 2.18 0.00 20 I 8.54 4.71 1.87 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.82 0.95 0.00 0.00 21 E 9.23 5.09 0.00 2.10 1.84 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 2.20 2.19 0.00 22 L 9.19 5.13 0.00 1.58 1.56 1.05 1.15 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 23 D 9.87 4.97 0.00 2.71 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 24 P 0.00 4.19 0.00 2.03 2.14 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 25 G 9.02 3.91 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 0.00 0.00 0.00 26 E 8.20 4.54 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 27 T 8.74 5.36 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 1.17 0.00 0.00 28 V 8.94 4.93 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 1.07 0.00 0.00 0.92 0.00 0.00 29 I 8.77 5.04 2.06 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 1.12 0.39 1.02 0.00 0.00 30 A 8.81 5.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.92 4.05 0.00 2.16 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 0.00 2.38 2.27 0.00 32 A 8.32 4.08 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 33 G 8.94 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 34 A 7.41 4.37 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 *36 N 7.91 4.61 0.00 2.55 2.95 0.00 0.00 6.99 7.46 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 37 Y 6.21 4.46 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 T 8.26 4.40 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 1.33 0.00 0.00 40 G 8.75 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 41 D 8.65 4.77 0.00 2.86 2.78 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 42 I 7.46 4.46 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 1.16 0.00 0.00 43 R 9.56 5.01 0.00 1.61 1.68 0.00 3.17 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 44 F 8.19 5.78 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.26 4.75 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 46 A 8.71 4.54 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 47 R 7.98 3.63 0.00 1.74 1.88 0.00 3.30 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 *76 T 7.73 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 1.29 0.00 0.00 77 H 8.86 5.43 0.00 3.13 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.71 5.43 0.00 3.10 3.09 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 79 T 9.34 5.17 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 1.28 0.00 0.00 80 N 8.92 4.81 0.00 2.86 2.89 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.21 4.69 0.00 2.00 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 2.29 2.38 0.00 82 G 7.93 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 83 Q 9.36 4.56 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 84 G 8.47 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 85 K 8.55 4.35 0.00 1.67 1.73 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.47 7.81 86 Q 8.98 4.74 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 87 H 9.34 5.93 0.00 3.00 3.15 0.00 5.56 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 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0.00 0.00 0.00 154 L 8.36 4.89 0.00 1.67 1.19 1.24 0.65 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 0.00 155 V 8.23 4.64 1.92 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 0.75 0.00 0.00 0.70 0.00 0.00 156 F 8.60 4.85 0.00 2.77 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 0.00 157 V 8.15 4.55 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 0.47 0.00 0.00 0.65 0.00 0.00 158 H 8.96 5.25 0.00 2.92 3.12 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.80 4.78 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 0.00 160 G 9.60 4.46 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 0.00 0.00 0.00 161 G 9.01 4.41 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 0.00 162 T 9.71 4.62 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 0.00 163 L 8.53 4.65 0.00 1.71 1.63 1.05 1.23 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 0.00 164 I 9.17 4.46 1.91 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 1.13 0.61 0.91 0.00 0.00 165 R 8.55 4.74 0.00 1.72 1.67 0.00 2.90 0.00 0.00 2.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.68 0.00 166 R 8.78 4.69 0.00 1.67 1.68 0.00 3.11 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 167 Q 8.58 4.89 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 168 L 8.83 4.83 0.00 1.58 1.65 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 169 N 9.16 4.55 0.00 2.53 2.71 0.00 0.00 7.15 6.93 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 0.00 170 G 8.19 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 0.00 171 E 7.92 4.90 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 172 T 8.41 5.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 173 L 9.04 4.78 0.00 1.66 1.45 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.63 5.06 0.00 1.69 1.80 0.00 3.18 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 175 V 8.76 4.52 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 0.67 0.00 0.00 0.91 0.00 0.00 176 D 8.73 4.63 0.00 2.72 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 0.00 177 T 8.09 3.75 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 0.26 0.00 0.00 178 G 7.56 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 0.00 179 C 8.29 4.36 0.00 3.22 3.08 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 0.00 180 L 7.58 4.71 0.00 1.62 1.92 1.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 181 V 9.04 4.06 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.04 0.00 0.00 182 A 8.04 5.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 9.00 6.09 0.00 3.33 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 0.00 184 T 8.75 4.94 4.41 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 1.47 0.00 0.00 185 D 8.84 4.72 0.00 2.83 2.81 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 0.00 186 G 9.11 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 0.00 0.00 0.00 187 I 7.46 4.90 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 0.59 0.00 0.00 188 D 9.45 4.90 0.00 2.57 2.45 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 0.00 189 Y 7.91 5.82 0.00 2.62 2.40 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 0.00 190 D 8.40 4.67 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 V 8.51 4.74 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.02 0.00 0.00 192 Q 8.84 4.72 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 193 L 8.57 4.40 0.00 1.53 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 194 A 9.96 3.56 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 0.00 195 G 8.87 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 0.00 196 G 8.24 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 0.00 0.00 0.00 *203 G 8.11 3.91 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 0.00 0.00 0.00 204 G 8.29 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 E 8.54 4.72 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 206 G 8.37 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 0.00 0.00 0.00 207 L 7.29 4.47 0.00 1.69 1.55 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 208 L 8.40 4.54 0.00 1.56 1.47 0.87 0.44 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 0.00 209 L 9.23 5.06 0.00 1.61 1.45 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.92 4.98 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 1.13 0.00 0.00 211 T 8.52 4.54 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 1.17 0.00 0.00 212 L 8.85 5.36 0.00 1.44 1.38 0.81 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 213 K 9.04 5.45 0.00 1.81 1.79 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.20 7.81 214 G 8.12 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 0.00 0.00 0.00 215 S 9.81 4.82 0.00 3.85 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 0.00 216 G 7.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 T 7.65 4.81 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 0.25 0.00 0.00 218 V 8.55 5.05 2.16 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 0.76 0.00 0.00 0.96 0.00 0.00 219 W 10.14 5.20 0.00 3.23 3.25 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 0.00 220 L 9.33 5.53 0.00 1.68 1.59 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 9.07 5.29 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 222 S 8.94 4.33 0.00 3.95 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 0.00 223 L 8.37 4.91 0.00 1.79 1.62 0.96 0.92 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 0.00 224 P 0.00 4.72 0.00 2.30 2.45 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 225 F 8.79 3.75 0.00 1.51 2.65 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 0.00 226 S 8.00 3.63 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 R 7.69 3.79 0.00 1.89 2.10 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 228 L 7.72 3.83 0.00 1.87 1.61 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 229 A 8.17 3.75 0.76 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 0.00 230 G 7.93 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 0.00 0.00 0.00 231 R 8.39 3.94 0.00 1.94 1.96 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 232 I 7.71 3.66 2.09 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 1.43 0.68 0.99 0.00 0.00 233 Y 8.17 3.95 0.00 2.77 3.08 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 0.00 234 D 8.12 4.21 0.00 2.77 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 0.00 235 A 8.01 4.20 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 0.00 236 T 7.62 4.32 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 1.27 0.00 0.00 237 F 8.42 4.05 0.00 2.02 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 * Residues marked with a * may have inaccurate shift predictions.