NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.1140 8.2133 108.0526 46.2154 0.0000 172.2024 3 I 5.0750 8.1276 120.1153 59.1838 40.5439 172.9019 4 H 5.3603 9.6243 125.0045 53.9412 32.1621 172.7051 5 L 4.7658 9.4331 127.2373 54.1631 42.9611 175.5852 6 F 4.8500 9.5661 131.8432 57.0186 40.1182 174.2150 7 W 4.9286 9.7703 135.0000 55.6151 31.5397 174.6493 8 D 5.1840 8.7801 129.0889 54.5040 41.1835 177.2193 9 S 4.6358 9.0778 121.0462 60.1376 63.1969 175.5213 10 R 4.0748 8.2612 120.2096 58.1348 30.0846 176.7007 11 V 3.9269 7.7999 119.0609 60.7834 32.3175 173.0625 12 P 4.3032 0.0000 0.0000 63.1271 31.2101 177.2057 13 V 4.0330 8.7267 117.3022 63.1705 31.3774 178.3757 14 G 3.6658 8.0375 104.7369 46.8943 0.0000 174.7881 15 L 4.2484 7.8459 120.0394 55.6760 41.8334 178.7990 16 S 2.7900 6.9156 116.1967 60.9726 62.6148 176.4231 17 R 3.7140 7.4571 120.2831 59.0182 29.8992 176.4866 18 P 4.1761 0.0000 0.0000 65.5507 31.2648 178.6284 19 V 3.5871 7.5485 116.8470 66.1005 31.4720 177.7216 20 S 4.1189 8.1761 113.0348 61.8018 62.1346 176.1862 21 E 4.0351 8.2949 121.0987 59.3857 29.2130 179.1398 22 E 4.0891 8.5393 118.8904 59.0166 29.5390 179.3055 23 L 4.0478 8.2487 119.5170 57.9096 41.7326 179.4281 24 S 4.1292 8.2229 112.8499 61.2551 62.0642 176.1366 25 A 4.0078 7.7844 122.9162 55.1660 18.2686 179.7482 26 V 3.8412 7.8400 116.6240 64.8541 31.6738 178.2194 27 L 4.1422 8.1342 118.3911 54.4282 42.9477 176.1492 28 E 3.5980 7.5706 118.5325 56.0254 26.5438 171.5377 *30 P 4.1722 0.0000 0.0000 62.2658 32.9343 177.0687 31 V 4.5827 8.1675 120.0331 61.3193 34.1977 174.3047 32 S 4.6807 9.1948 123.5541 57.2116 64.1867 172.3975 33 R 5.0029 8.5331 126.6519 54.7378 31.8141 174.9842 34 I 4.4707 8.9623 127.6622 59.1600 39.8159 175.5402 35 D 5.7596 8.8347 126.5357 52.0950 40.5779 175.7044 36 D 5.0254 8.1314 115.1945 51.6075 39.4151 175.0617 37 G 4.1823 7.1483 108.3419 46.3658 0.0000 171.3196 38 I 4.7662 8.2272 113.5106 59.1103 39.5743 175.5961 39 F 4.2725 8.8623 124.8301 55.1543 39.0121 172.8096 40 P 4.1094 0.0000 0.0000 62.2898 31.6166 176.9847 41 L 4.2763 7.9889 122.7935 54.1881 42.5039 175.0622 42 E 4.7709 8.0222 119.6685 55.4044 33.0147 174.2873 43 G 3.9123 8.7404 106.5005 46.5308 0.0000 173.6612 44 F 4.2743 8.4582 120.6832 57.5214 40.2748 173.6724 45 D 4.5214 7.5033 126.7953 51.3544 42.3466 174.7679 46 P 4.1362 0.0000 0.0000 65.6111 31.7085 178.2769 47 V 3.6851 7.6478 117.5257 64.3243 31.5832 177.5727 48 R 3.7518 7.4088 117.4807 56.6039 30.0209 175.9800 49 N 3.9803 7.8172 115.0083 54.3042 37.8393 173.0576 50 Q 4.7853 6.9345 112.5386 54.4245 34.3759 173.4552 51 Y 5.1676 9.2268 118.4112 56.1755 40.7163 174.9851 52 D 3.9878 9.2583 123.8836 54.0724 41.5011 176.7685 53 A 4.0528 8.6148 129.9034 54.6335 18.3711 179.2818 54 V 3.5527 7.6330 116.9194 66.1564 31.6188 178.3377 55 K 3.9985 7.9580 117.7643 59.4775 31.8717 179.3187 56 V 3.7047 7.6607 118.4826 66.0107 31.4511 178.1335 57 L 3.9430 8.1409 118.8173 57.6547 41.2229 179.4671 58 L 3.8594 7.6793 118.0070 57.6722 41.6575 179.1252 59 K 4.1295 8.0186 118.4434 59.3742 32.3601 178.3045 60 L 4.1678 8.1723 120.9842 57.8882 41.9545 179.1774 61 D 4.3902 7.8924 115.4793 54.7224 40.7803 177.5969 *63 F 4.7241 8.0035 121.1399 57.8191 41.2394 176.7172 64 R 3.9254 8.2871 119.2008 59.4262 29.8738 177.5828 65 R 3.9620 7.8850 116.4963 59.2522 30.2967 176.9058 66 R 4.1944 7.2457 116.9638 55.8780 30.0314 175.2666 *68 P 3.9181 0.0000 0.0000 62.2063 33.4152 179.3638 69 Q 3.9815 7.9783 114.3271 58.4893 28.7354 177.4901 70 I 3.8235 7.6133 118.4692 63.1433 37.7336 176.6499 71 F 4.6193 7.7368 115.5056 57.7765 39.9633 176.0457 72 K 4.2169 7.6654 122.7341 54.7531 31.9396 174.8405 73 P 4.3656 0.0000 0.0000 62.5301 31.9926 177.0365 74 A 4.0325 8.6842 124.4453 55.2759 18.5349 178.3987 75 D 4.4653 7.0533 113.3219 51.9419 38.2880 175.2488 *77 D 4.3985 7.7436 124.6304 54.6121 43.9029 174.8301 78 L 4.0666 8.3517 126.8464 58.2757 42.3184 178.9845 79 E 4.0029 8.4744 118.9927 59.0832 29.6365 178.2849 80 F 4.1815 9.0315 121.2063 61.4560 39.4475 176.5264 81 Y 4.1976 8.3739 119.2647 60.7150 38.4190 177.2654 82 N 4.2221 8.2254 116.9181 56.8068 39.0953 176.6077 83 K 3.8304 7.4237 118.0353 57.9712 32.3290 177.8854 84 F 4.8964 7.5824 115.7407 56.8314 40.0447 176.5396 85 N 4.1207 8.0067 122.2922 56.0751 36.8686 176.9305 86 H 4.1648 8.0539 113.6057 57.5797 29.0134 177.1483 87 L 4.0554 7.4834 119.8710 56.6129 41.8219 177.2631 88 H 4.7571 8.1677 113.7522 56.1825 30.5188 174.1003 89 E 4.9402 8.0454 119.3502 54.2071 29.2155 175.5323 90 K 4.4160 9.0963 123.3980 56.1510 33.8759 175.7398 91 I 5.0279 8.4545 124.5142 59.4032 40.7573 174.1186 92 L 5.0105 8.9847 129.1936 53.3049 44.1038 174.6923 93 L 4.7794 8.7703 129.8637 54.2161 43.8271 175.3017 94 V 4.6395 8.8794 127.1286 61.6257 33.1767 174.1634 95 T 4.9269 8.4615 123.0618 59.5365 70.2484 172.9041 96 P 4.4403 0.0000 0.0000 63.9512 32.1226 176.9415 97 G 3.6465 7.4117 108.5252 45.1702 0.0000 172.8163 98 D 4.5776 8.7078 122.3541 53.9227 42.5597 174.7424 99 L 5.5489 8.7269 125.2617 53.2642 45.0002 174.8008 100 Y 5.4274 8.9828 119.9285 55.2341 42.2334 173.6006 101 E 4.6296 8.1849 115.9811 53.6804 32.9667 174.8916 102 P 4.3219 0.0000 0.0000 66.1005 31.3685 177.5578 103 L 4.2901 8.8487 114.5398 55.0683 41.8490 176.5426 104 A 4.7169 8.2916 122.4831 49.9647 22.0627 177.0905 105 D 4.4186 8.7422 121.3347 57.3071 41.1467 176.5166 106 F 4.9875 6.9732 110.2412 56.3629 40.0838 173.1356 107 V 4.1636 8.5324 113.9945 59.4822 35.3579 176.4294 108 F 4.5635 8.5739 120.7409 60.3001 39.1839 175.1463 109 G 4.2307 7.5814 104.9274 46.9439 0.0000 172.0625 110 L 4.7147 8.3040 119.1589 54.1500 45.8563 173.4268 111 A 4.9413 8.5516 124.2887 50.4214 22.6099 175.6512 112 Y 4.4341 8.9298 121.6546 54.3341 39.0758 174.1852 113 P 4.2846 0.0000 0.0000 64.9394 32.0469 178.8038 114 K 3.9967 8.4004 117.9386 58.8730 32.2293 177.0658 115 L 4.3702 8.0935 116.1508 53.3457 41.9348 176.2681 116 G 4.0556 7.7382 106.3025 45.5858 0.0000 173.6309 117 V 4.9446 7.5237 109.7008 59.2504 36.0087 175.1641 118 A 5.1816 9.0890 124.8026 50.7760 23.5814 174.5340 119 I 5.1003 8.8298 118.3975 59.6082 42.0470 174.1223 120 V 5.0103 9.1593 127.4387 59.9427 34.9713 174.0969 121 S 5.4253 8.8989 118.2292 55.2561 64.0420 172.1339 122 P 4.5292 0.0000 0.0000 63.4437 31.5192 177.4719 123 H 4.0145 8.1904 119.6408 58.9718 29.6629 176.0411 124 R 3.6433 7.7590 114.0894 55.6968 30.3411 176.5800 125 L 4.3731 7.5837 118.9060 56.0910 42.8261 177.4845 126 Q 4.1968 8.1797 117.6941 55.9450 29.2096 176.7537 127 N 4.5003 9.2727 119.4818 56.7961 38.9597 176.9516 128 E 4.2387 8.3426 116.2492 58.6268 29.7654 178.8645 129 F 3.8433 7.9435 119.8491 60.8778 39.3352 175.1617 130 Y 4.3275 8.1463 116.2663 57.3617 37.6720 176.0312 131 G 3.8763 8.2054 107.4646 46.1005 0.0000 174.0806 132 K 4.6703 7.6257 118.2631 54.2129 34.1291 175.7760 133 Y 3.9148 8.5637 118.6706 57.6428 38.4392 176.2767 134 A 4.1173 8.3740 125.4901 53.4702 19.0399 178.3351 135 D 4.5307 8.3242 119.4701 52.2900 42.7446 175.6482 136 D 4.4315 8.6461 127.4946 57.3469 40.9756 178.6229 137 S 4.1135 8.1697 114.8979 61.4822 62.9158 176.3422 138 A 3.9822 8.2792 123.4854 55.1905 18.0943 179.4960 139 L 3.9722 8.0381 118.8137 58.1769 42.1278 179.1445 140 I 3.7779 8.0711 119.9848 64.5343 37.1105 177.7767 141 D 4.4202 8.2706 119.7850 57.7421 40.7244 179.5255 142 R 3.8621 8.0931 118.0384 59.3884 30.0628 179.2315 143 I 3.7663 7.9940 119.7200 64.2512 37.0182 178.7271 144 V 3.6579 8.0754 119.1974 66.0161 31.2785 178.3234 145 K 3.9656 8.0206 118.2372 59.3849 31.9189 178.8538 146 E 4.2044 8.4826 119.4754 58.4901 29.6458 178.8374 147 G 3.6537 8.5055 106.3680 47.8018 0.0000 175.6927 148 A 4.2148 8.5745 123.8687 54.8157 18.4309 179.0733 149 H 4.0482 8.0900 117.1338 59.6121 29.7018 177.1246 150 E 4.1429 8.4341 120.1629 59.8571 29.1841 179.7274 151 I 4.0915 7.9667 118.5756 64.0479 37.3391 178.3891 152 G 3.9405 8.5432 107.0313 48.2788 0.0000 175.1544 153 H 4.5739 7.9460 119.9725 58.1013 28.5657 177.7554 154 L 3.9740 7.6082 119.1520 56.9709 41.3975 178.5217 155 F 4.5890 8.1504 115.9716 56.9763 39.2804 176.6231 156 G 4.0486 8.3082 108.1468 44.9581 0.0000 174.4351 157 L 4.1629 7.8741 120.3686 54.6116 42.4813 177.1106 158 G 4.2428 8.1568 111.4447 44.3251 0.0000 172.5262 159 H 4.5317 8.5426 116.3856 55.8180 29.4623 174.5144 160 C 4.8008 8.4945 123.0699 57.9217 33.2446 174.1398 161 D 4.5308 8.6110 124.2527 56.4078 41.0565 176.2403 162 N 4.5251 8.1647 118.2388 52.3304 38.4039 173.6386 163 P 2.9700 0.0000 0.0000 64.2461 31.7573 178.3287 164 G 3.8456 8.2067 106.6377 46.1232 0.0000 173.2879 165 C 4.9222 7.9760 120.8160 58.4706 32.3112 174.8954 166 I 3.6752 7.9571 127.5806 61.0224 35.9761 175.6141 *168 Y 4.7595 7.6758 118.9567 57.6900 39.5234 173.5213 169 C 4.1759 7.4195 126.1505 56.9812 31.8499 171.3400 170 P 4.7040 0.0000 0.0000 62.3765 31.5869 177.1905 171 R 4.0937 9.4856 123.5035 58.7440 30.5511 175.7011 172 N 5.2525 7.7448 113.2530 50.6601 40.2410 174.6075 173 L 3.9534 8.8364 118.5246 58.2701 41.9677 178.4881 174 D 4.3281 8.1521 118.5478 57.4656 40.6573 178.3327 175 E 4.0464 8.3523 117.7300 59.3667 29.7867 178.9212 176 L 4.1233 7.9028 120.3053 58.3014 41.9330 178.8249 177 D 4.4035 8.0459 117.7322 57.0905 40.7755 178.5576 178 R 4.0550 7.5825 117.3239 57.5060 30.4395 177.4531 179 K 4.2890 6.9825 116.6752 56.1348 32.6068 176.2377 180 R 4.5583 8.0603 120.4267 54.4290 32.8970 177.3915 181 K 4.3313 8.4853 120.7912 55.2472 30.7604 174.5329 182 Y 4.6316 7.6451 120.6249 56.7735 42.6050 172.3304 183 F 4.6346 8.5895 126.1792 55.5675 40.5051 176.1415 184 C 3.9073 8.0957 121.3716 57.4321 31.6167 174.8288 185 G 3.5384 8.4519 106.2261 47.8653 0.0000 175.3711 186 K 3.8748 8.0941 122.2484 59.5654 32.0586 178.4105 187 C 4.1947 8.0187 116.4867 62.5809 28.2549 175.9280 188 R 3.6773 8.2023 118.1254 59.2305 28.6237 178.9958 189 V 3.5037 7.3310 117.3789 65.8703 31.6096 177.7014 190 Q 4.1019 7.4717 116.2389 58.9413 28.6595 178.4370 191 L 3.9262 7.8551 120.0512 57.3152 42.0737 176.9687 192 N 4.5487 7.6433 120.3787 53.3388 38.8023 174.6095 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 G 8.21 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 0.00 0.00 0.00 0.00 3 I 8.13 5.07 2.11 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 1.59 1.12 1.05 0.00 0.00 4 H 9.62 5.36 0.00 3.29 3.52 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.43 4.77 0.00 1.87 1.72 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.57 4.85 0.00 3.30 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 7 W 9.77 4.93 0.00 3.57 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 8 D 8.78 5.18 0.00 2.77 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 9 S 9.08 4.64 0.00 4.16 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 10 R 8.26 4.07 0.00 1.93 2.04 0.00 3.14 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 11 V 7.80 3.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.62 0.00 0.00 12 P 0.00 4.30 0.00 2.40 2.15 0.00 3.78 0.00 0.00 3.99 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 13 V 8.73 4.03 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 1.15 0.00 0.00 0.97 0.00 0.00 14 G 8.04 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 15 L 7.85 4.25 0.00 1.97 1.79 1.13 0.89 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 16 S 6.92 2.79 0.00 3.53 3.40 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 17 R 7.46 3.71 0.00 1.75 1.80 0.00 3.13 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 18 P 0.00 4.18 0.00 2.15 2.06 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 19 V 7.55 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.11 0.00 0.00 20 S 8.18 4.12 0.00 3.94 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 21 E 8.29 4.04 0.00 2.15 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 2.32 2.46 0.00 22 E 8.54 4.09 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 23 L 8.25 4.05 0.00 1.99 1.80 1.05 1.11 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 24 S 8.22 4.13 0.00 3.93 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 25 A 7.78 4.01 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.84 3.84 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 0.99 0.00 0.00 0.98 0.00 0.00 27 L 8.13 4.14 0.00 1.75 1.70 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.57 3.60 0.00 2.06 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 2.24 2.39 0.00 *30 P 0.00 4.17 0.00 2.22 2.10 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 31 V 8.17 4.58 2.12 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 0.88 0.00 0.00 1.02 0.00 0.00 32 S 9.19 4.68 0.00 3.93 3.70 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 33 R 8.53 5.00 0.00 1.84 1.77 0.00 2.99 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 34 I 8.96 4.47 1.53 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 1.14 0.82 0.46 0.00 0.00 35 D 8.83 5.76 0.00 2.81 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 36 D 8.13 5.03 0.00 2.77 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 37 G 7.15 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 38 I 8.23 4.77 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 1.01 0.00 0.00 39 F 8.86 4.27 0.00 2.07 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 40 P 0.00 4.11 0.00 1.84 1.85 0.00 3.17 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 41 L 7.99 4.28 0.00 1.02 1.31 0.23 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.02 4.77 0.00 1.89 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 2.30 0.00 43 G 8.74 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 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0.00 0.00 1.23 0.42 -0.01 0.00 0.00 71 F 7.74 4.62 0.00 3.29 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 72 K 7.67 4.22 0.00 0.79 1.40 0.00 1.78 0.00 0.00 1.25 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.35 7.81 73 P 0.00 4.37 0.00 2.36 2.00 0.00 3.81 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 74 A 8.68 4.03 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 75 D 7.05 4.47 0.00 2.79 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 *77 D 7.74 4.40 0.00 2.86 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 78 L 8.35 4.07 0.00 1.81 1.68 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.47 4.00 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 80 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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 0.00 122 P 0.00 4.53 0.00 2.18 2.04 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 123 H 8.19 4.01 0.00 3.26 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.76 3.64 0.00 1.81 1.71 0.00 2.28 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 125 L 7.58 4.37 0.00 1.74 1.69 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.18 4.20 0.00 2.51 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 127 N 9.27 4.50 0.00 2.95 3.28 0.00 0.00 7.14 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 0.00 128 E 8.34 4.24 0.00 2.26 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 0.00 2.37 2.48 0.00 129 F 7.94 3.84 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.15 4.33 0.00 3.18 3.03 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 0.00 131 G 8.21 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 0.00 132 K 7.63 4.67 0.00 2.08 1.83 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.56 7.81 133 Y 8.56 3.91 0.00 2.96 2.94 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 0.00 134 A 8.37 4.12 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 0.00 135 D 8.32 4.53 0.00 2.74 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 0.00 136 D 8.65 4.43 0.00 2.80 2.75 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 0.00 137 S 8.17 4.11 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.28 3.98 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 0.00 0.00 139 L 8.04 3.97 0.00 1.86 1.88 0.99 1.22 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 0.00 140 I 8.07 3.78 2.05 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 1.57 0.63 0.94 0.00 0.00 141 D 8.27 4.42 0.00 2.90 2.73 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 0.00 142 R 8.09 3.86 0.00 1.97 1.88 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 143 I 7.99 3.77 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 1.07 0.00 0.00 144 V 8.08 3.66 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 1.11 0.00 0.00 1.06 0.00 0.00 145 K 8.02 3.97 0.00 2.00 1.82 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 146 E 8.48 4.20 0.00 2.04 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 2.38 2.44 0.00 147 G 8.51 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 0.00 0.00 0.00 148 A 8.57 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.09 4.05 0.00 3.48 3.50 0.00 5.80 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 0.00 150 E 8.43 4.14 0.00 2.14 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 0.00 2.76 2.79 0.00 151 I 7.97 4.09 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.67 1.20 0.00 0.00 152 G 8.54 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 0.00 153 H 7.95 4.57 0.00 3.52 3.35 0.00 5.64 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 0.00 154 L 7.61 3.97 0.00 1.77 1.46 1.01 0.83 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 0.00 155 F 8.15 4.59 0.00 3.13 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 0.00 156 G 8.31 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 0.00 157 L 7.87 4.16 0.00 1.94 1.63 0.96 0.97 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 0.00 158 G 8.16 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 0.00 0.00 0.00 159 H 8.54 4.53 0.00 3.17 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 C 8.49 4.80 0.00 3.03 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 0.00 161 D 8.61 4.53 0.00 2.78 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 0.00 162 N 8.16 4.53 0.00 2.78 2.79 0.00 0.00 7.25 7.71 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 0.00 163 P 0.00 2.97 0.00 1.89 1.34 0.00 3.52 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 164 G 8.21 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 0.00 165 C 7.98 4.92 0.00 2.99 3.07 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 0.00 166 I 7.96 3.68 0.75 0.00 0.00 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 1.13 0.03 0.72 0.00 0.00 *168 Y 7.68 4.76 0.00 3.16 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 0.00 169 C 7.42 4.18 0.00 2.22 2.34 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 0.00 170 P 0.00 4.70 0.00 2.29 2.17 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 171 R 9.49 4.09 0.00 1.89 2.03 0.00 3.19 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 172 N 7.74 5.25 0.00 3.08 3.08 0.00 0.00 5.93 6.67 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 0.00 173 L 8.84 3.95 0.00 1.91 1.61 0.66 1.01 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 0.00 174 D 8.15 4.33 0.00 2.90 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 0.00 175 E 8.35 4.05 0.00 2.35 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 0.00 2.51 2.42 0.00 176 L 7.90 4.12 0.00 1.69 1.70 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.05 4.40 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 178 R 7.58 4.06 0.00 1.92 1.93 0.00 3.14 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 179 K 6.98 4.29 0.00 1.89 1.77 0.00 1.78 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.71 1.68 7.81 180 R 8.06 4.56 0.00 1.81 1.81 0.00 3.37 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 181 K 8.49 4.33 0.00 1.66 1.80 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 182 Y 7.65 4.63 0.00 2.93 2.82 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 0.00 183 F 8.59 4.63 0.00 2.90 2.76 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 0.00 184 C 8.10 3.91 0.00 3.16 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 0.00 185 G 8.45 3.54 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 0.00 186 K 8.09 3.87 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.56 7.81 187 C 8.02 4.19 0.00 3.11 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 0.00 188 R 8.20 3.68 0.00 1.92 2.10 0.00 2.76 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 189 V 7.33 3.50 2.19 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 0.83 0.00 0.00 0.93 0.00 0.00 190 Q 7.47 4.10 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 191 L 7.86 3.93 0.00 1.42 1.52 0.54 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 192 N 7.64 4.55 0.00 2.82 2.64 0.00 0.00 6.83 7.50 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 * Residues marked with a * may have inaccurate shift predictions.