NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3490 8.1733 120.1343 57.0153 34.9142 173.6505 3 S 5.1865 8.5287 115.1318 56.4770 66.6392 171.8474 4 Y 5.2224 9.4640 119.5280 56.3234 41.8093 174.5315 5 F 5.6175 9.3263 125.5610 57.0787 42.2671 173.8024 6 V 4.3432 8.8116 118.5567 59.8623 36.4036 174.8424 7 T 5.2833 7.6271 116.0800 61.3861 67.4237 172.6487 *9 G 3.7398 7.9789 106.7356 45.4800 0.0000 173.7569 10 F 5.1056 8.3223 123.6543 56.9581 39.1388 174.7043 11 N 4.8461 7.7965 119.2149 51.0890 40.7398 174.1215 12 E 4.2845 8.7157 124.1221 57.6946 30.1698 178.3430 13 T 3.7700 8.5429 118.5347 66.9970 68.3757 176.2924 14 F 4.3934 7.8055 119.1628 60.2779 38.9014 177.4166 15 L 3.9491 7.9421 119.6977 58.1523 42.0413 178.8221 16 L 3.9615 7.8486 118.7625 57.6701 41.4187 179.5349 17 R 3.8649 8.0943 118.7082 59.2033 30.1125 178.2052 18 L 3.7608 8.1075 120.3815 58.2296 42.0970 178.9491 19 L 3.4320 7.8458 119.0054 57.4558 41.2412 179.0947 20 N 4.4497 7.9650 118.1469 56.4269 38.8061 176.9466 21 E 4.1073 8.3497 118.7878 58.3494 29.4471 177.8583 22 T 4.4761 7.4251 107.3679 60.6978 69.3762 174.5254 23 S 3.6722 7.8409 115.0239 59.4571 60.7343 173.1106 24 A 4.3897 7.7985 120.9451 52.2186 19.1298 177.6941 25 Q 4.8292 9.4727 121.4370 53.4853 31.4799 176.7541 26 K 3.9146 8.8228 121.4908 59.7633 32.1482 177.6192 27 E 4.2843 8.0699 115.4316 57.4727 29.9503 176.4263 28 D 4.7546 7.8779 118.9400 54.4646 42.1357 176.1042 29 S 4.6718 8.8497 117.5819 57.4126 64.5382 172.9540 30 L 5.2714 8.6057 127.5223 53.3254 44.2374 174.9537 31 V 5.0588 9.1247 126.3254 61.2123 34.8365 174.0733 32 I 5.3519 9.0254 128.0229 59.4844 40.7840 174.5825 33 V 5.0986 8.7635 126.4088 60.1291 33.9025 175.2283 34 V 4.9398 8.8126 116.8342 58.5436 35.9380 173.3653 35 P 4.8645 0.0000 0.0000 63.0819 32.2347 175.2428 36 S 4.9222 8.4531 116.8149 55.9420 63.8477 172.2630 37 P 4.5127 0.0000 0.0000 62.1609 32.1455 175.9004 38 I 3.9638 8.1245 121.2258 61.2425 37.4672 177.1147 39 V 4.0759 8.2861 119.3538 60.3495 33.8858 177.0703 40 S 4.1899 8.7439 117.0212 61.9379 62.5698 177.0669 41 G 3.3348 7.9023 108.5537 47.8585 0.0000 175.6256 42 T 4.3938 8.0073 119.1169 65.6440 68.6101 176.6812 43 R 3.8720 8.3575 120.7487 59.4407 30.0904 178.4061 44 A 3.9697 8.4827 120.6253 55.1600 18.3137 179.4171 45 A 3.9888 8.0109 119.1646 55.4334 18.3612 179.9790 46 I 3.6876 8.0950 118.4997 64.5836 37.1746 178.5941 47 E 3.9650 8.2808 119.5380 59.2275 29.2563 179.3183 48 S 4.0481 8.2231 113.2828 61.2105 62.5095 175.8339 49 L 3.9478 8.1663 123.2723 58.3791 41.8324 179.0825 50 R 3.9278 8.3086 117.9361 59.1938 30.1117 178.9078 51 A 3.9601 8.0053 120.3725 55.3720 18.4840 179.7554 52 Q 3.9262 8.1862 116.5370 59.1035 28.7917 178.9556 53 I 3.7876 8.2782 121.2182 64.5840 37.0264 178.5938 54 S 4.1093 8.0678 115.8574 61.6933 62.4613 176.8082 55 R 3.8522 7.6377 119.6203 58.7767 29.8949 177.5510 56 L 4.0960 7.4004 115.6185 53.2529 42.1604 175.9488 57 N 4.1215 7.5141 115.4740 54.4521 36.3269 173.9465 58 Y 4.8674 7.6478 115.0421 55.8207 39.5995 173.6202 59 P 4.7300 0.0000 0.0000 62.0475 31.7403 174.5387 60 P 4.4100 0.0000 0.0000 61.7766 31.9567 174.1440 61 P 4.7146 0.0000 0.0000 62.7821 32.6155 175.7300 62 R 4.3589 8.9503 122.3375 55.1650 31.5514 175.2275 63 I 4.9372 8.0338 124.9741 59.6274 39.4757 174.7305 64 Y 4.9110 9.1628 124.6535 56.0636 41.2212 174.4882 65 E 5.1712 8.9326 121.2231 55.0618 32.1147 175.0585 66 I 4.6932 8.6410 121.2790 59.3551 41.9482 173.2428 67 E 4.7466 8.8330 129.4382 55.1131 30.8278 175.5120 68 I 4.4453 8.4738 127.5357 59.8454 38.3044 174.7997 69 T 4.6404 8.2918 113.5412 60.2838 70.5764 174.3803 70 D 4.7728 7.7082 120.2026 51.3304 45.5154 174.7982 71 F 4.0402 8.9605 128.2484 61.8988 39.5290 177.3874 72 N 4.2425 8.3885 115.3634 56.0117 38.2529 177.3390 73 L 3.9419 8.2675 120.2794 57.8280 41.7292 179.5232 74 A 4.0224 7.9282 120.6600 54.9300 18.3643 179.3763 75 L 3.6966 7.7901 119.0768 58.0727 42.0210 179.0338 76 S 4.0214 8.0384 113.1558 61.4731 62.1673 176.4789 77 K 3.9614 7.6265 119.6234 59.4371 31.6746 179.5126 78 I 3.8080 7.7402 120.1667 64.3391 37.0074 178.4975 79 L 3.9224 8.3971 120.2269 57.8400 41.2062 179.0169 80 D 4.3530 7.8393 117.8099 57.5543 41.1076 179.0763 81 I 3.5735 7.3111 119.9819 64.3285 37.0669 178.4451 82 I 3.4099 7.6109 120.6385 64.4317 36.9890 178.3278 83 L 4.1091 8.1258 118.0764 56.4444 41.3964 177.7136 84 T 4.3044 7.4226 107.7485 61.5033 69.6516 174.9200 85 L 4.2594 7.7048 123.9618 53.1169 42.4264 175.0928 86 P 4.3710 0.0000 0.0000 62.9258 31.9046 175.6532 87 E 4.5318 8.2882 119.6069 54.3364 31.4419 174.2356 88 P 4.7139 0.0000 0.0000 62.8936 33.4667 174.8813 89 I 4.6790 8.5925 122.1801 60.4321 38.8513 174.7861 90 I 5.0104 8.4829 128.5089 59.7930 39.3091 174.8541 91 S 5.1108 9.0851 120.2341 56.7649 66.7662 171.9332 92 D 5.1382 8.4989 121.6033 52.5967 43.5919 174.5518 93 L 4.9782 8.4945 124.8506 53.9659 42.3936 177.2146 94 T 3.9248 8.2094 114.7559 64.0980 67.3767 176.1835 *96 G 3.6352 7.4122 109.8683 45.6811 0.0000 173.6589 *98 R 4.0622 7.6538 114.3808 55.4136 32.5162 178.0633 *100 I 4.0478 7.7854 120.1437 61.5449 39.2642 177.9273 101 N 4.2213 8.0313 117.0773 56.4774 38.2127 177.3480 102 T 3.8615 8.1007 117.1843 66.7198 68.5958 176.5665 103 L 3.9419 7.8754 120.2335 57.7686 41.5686 179.4609 104 I 3.6254 7.9281 119.9614 64.2360 36.9842 178.1965 105 L 3.8100 7.9908 121.0681 58.1891 41.8951 178.9622 106 L 4.0915 8.1720 119.1325 57.6770 41.5789 179.6947 107 G 3.6455 8.4937 106.0254 47.9067 0.0000 175.6589 108 I 3.6601 7.6756 121.4673 63.9986 37.2561 178.2832 109 I 3.9132 7.6607 120.4954 64.6699 36.8378 178.9191 110 V 3.8444 7.9542 111.4185 63.4804 31.4979 178.3838 111 S 4.1993 7.9757 113.5043 59.2975 62.8750 175.3771 112 R 4.0039 7.6214 119.3019 56.4148 28.2443 176.4999 113 K 4.4526 7.8547 117.4657 55.9410 32.9076 177.0869 114 R 4.4165 9.3025 121.4234 56.6578 31.2503 175.7748 115 F 5.3527 8.8659 116.3803 56.3787 41.9678 172.9709 116 T 4.8403 8.9223 115.9469 61.7800 72.5249 173.1028 117 V 4.7068 8.3678 125.8999 61.1892 34.4297 173.8112 118 Y 5.1997 8.9010 124.9381 56.3654 41.1348 174.9322 119 V 4.6845 8.8690 121.6029 61.5399 35.0213 174.8134 120 R 5.0126 8.5409 126.7078 53.8782 33.4742 175.2424 121 D 4.3949 8.4186 119.4936 54.2724 41.0316 176.8860 122 E 4.0295 8.7853 127.0385 58.8546 29.6841 178.3174 123 G 3.6962 8.3608 106.7162 46.5566 0.0000 174.6214 124 G 3.9618 8.5210 108.4139 45.4767 0.0000 173.9598 125 G 3.9549 7.8679 108.8888 44.5745 0.0000 174.0602 126 S 4.4337 8.4011 112.2187 59.2720 64.0138 174.8032 127 R 4.3006 7.8209 122.1594 56.4846 30.8125 175.9172 128 V 5.0755 8.3124 122.0553 60.2143 34.6432 173.9699 129 I 4.9349 8.9990 116.2498 59.4415 40.8697 174.2816 130 S 5.1408 8.5188 116.8118 57.4234 66.3139 172.3551 131 F 5.0098 8.1353 115.0115 56.3118 41.7480 172.0564 132 N 4.7483 9.0616 116.3573 50.2662 40.6690 174.8732 133 D 3.8283 7.2570 117.4566 56.5009 38.9595 178.3589 134 N 4.2974 7.9354 117.4212 56.3123 38.7032 177.0584 135 T 3.9108 8.1887 117.1022 66.9365 68.4031 176.7120 136 I 3.8116 7.3792 120.0554 64.3166 37.2611 178.0558 137 R 4.0928 8.1653 118.5401 59.4987 29.9704 178.0657 138 A 4.3107 8.3073 119.7851 55.0522 18.4420 179.5432 139 L 4.1782 7.4863 114.2904 54.5280 42.2319 177.0319 *141 R 3.8340 7.3766 117.6774 56.1077 30.8054 174.3024 142 D 4.6206 8.1702 123.1879 53.3513 41.4390 175.6870 143 Y 4.5061 8.3458 122.5463 56.4105 39.3177 175.9299 144 S 4.4596 8.8733 119.1291 57.4226 64.2972 174.3896 145 R 4.0568 8.6965 121.0726 59.7276 30.0060 177.6147 146 E 4.1337 8.2475 116.7367 59.5501 29.7456 179.4790 147 E 3.8740 8.2102 115.1561 57.1814 29.1461 178.9082 *149 K 4.1906 8.1950 120.1833 56.5587 34.2635 177.8736 150 L 3.9350 7.9443 119.8639 58.3014 41.9469 178.9274 151 L 3.9619 8.1013 118.9911 57.9432 41.5378 179.1832 152 N 4.3638 8.0864 116.4082 56.4638 38.9317 176.8083 153 V 3.5878 8.1651 120.1162 66.1965 31.7752 177.9886 154 L 4.0647 8.0887 118.5986 57.8523 41.1606 179.0490 155 Y 4.0867 7.8974 118.6821 60.9288 38.9202 177.6423 156 E 3.9149 8.4783 118.7718 59.1759 29.6370 178.8657 157 T 4.0844 8.2317 108.8283 61.7792 69.2112 175.5327 158 K 3.7359 8.0837 119.0713 57.4239 30.0731 175.4294 159 G 4.6530 7.7342 107.3639 45.2019 0.0000 174.2410 160 T 4.6009 8.2040 118.0463 60.9208 72.8372 173.6473 161 G 4.0877 8.5882 109.9719 44.0599 0.0000 174.8290 162 I 3.7120 8.2849 121.7025 64.7737 36.6859 178.5511 163 T 3.9989 7.9628 115.6345 67.0995 68.1113 176.3151 164 E 4.0683 8.0566 118.1239 59.2873 29.6084 178.9520 165 L 4.1224 7.9556 118.2458 57.6582 41.9756 178.9488 166 A 4.2528 8.2803 120.9582 54.9920 18.2831 179.8385 167 K 4.0894 7.5116 112.1054 57.5269 31.3374 178.6356 *169 L 4.2704 7.7999 118.3066 53.2688 43.4559 175.9228 170 D 4.4237 7.5394 115.5929 55.5864 39.8896 173.1337 171 K 4.7264 7.8709 115.8251 53.6938 35.6357 177.5640 172 S 4.3222 8.3348 116.4508 58.3931 64.9278 175.2477 173 E 3.9458 8.7279 123.1350 59.4649 29.2547 179.4180 174 K 3.8387 8.0487 119.0694 60.0114 32.2632 178.5119 175 T 3.8450 7.8639 113.1400 64.9633 67.1826 175.8877 176 L 3.9492 7.9813 122.3281 58.2226 42.1065 178.8652 177 I 3.7210 8.3829 120.0956 64.5676 37.0493 178.2144 178 N 4.3354 8.1722 117.2131 56.0963 38.3189 177.4481 179 K 3.9833 8.0883 121.0284 59.5781 32.2534 178.8658 180 I 3.7001 8.1849 120.2676 64.3894 37.0273 178.1651 181 A 3.9907 8.2372 121.6913 55.0736 18.2627 179.2011 182 E 3.8939 8.2344 117.6313 59.7362 29.8599 179.2612 183 L 4.3548 8.3292 118.9297 57.4118 41.5993 179.4730 184 K 4.1506 8.4522 120.3584 59.4107 31.9382 178.8130 185 K 3.9196 7.9263 118.8983 59.3222 32.1721 178.2730 186 F 4.3059 7.9227 115.9958 58.0982 38.8779 176.2508 187 G 3.9418 8.1378 107.0055 45.7678 0.0000 174.0696 188 I 4.6347 7.7825 112.5713 60.6301 39.1590 174.7976 189 L 5.2860 7.7898 121.8208 54.6824 43.9294 174.8371 190 T 4.8180 9.1854 109.1218 60.0516 72.9383 172.6894 191 Q 4.9730 8.4453 121.8879 53.5174 31.4811 173.9318 192 K 4.5972 8.3216 124.6009 55.7345 37.3370 177.1390 193 G 4.0848 8.6911 110.0863 44.7756 0.0000 174.5730 194 K 4.0533 8.4142 117.1200 58.6831 32.1886 178.3555 195 D 4.4730 8.0705 116.5359 53.4678 39.9683 176.2640 196 R 4.1832 7.6611 117.4792 56.0434 28.2128 176.4458 197 K 4.3278 7.8652 115.8359 56.9552 34.5224 175.6964 198 V 4.4639 8.9340 123.1714 61.9531 33.2095 174.5408 199 E 5.0725 9.0554 126.5347 54.1588 33.6648 175.3974 200 L 4.6002 8.7311 122.8349 55.1469 42.8974 176.8720 201 N 5.0109 8.4735 120.0102 51.3121 41.2742 175.4305 202 E 3.9752 8.5659 118.3850 59.5060 29.4034 179.1626 203 L 4.0526 8.0369 120.2113 58.1181 42.2876 179.0066 204 G 3.6398 8.7471 106.0055 47.8864 0.0000 175.6098 205 L 3.9705 8.0153 121.1747 57.6497 41.5770 179.3654 206 N 4.3188 8.0455 116.0953 56.0236 38.4118 177.5614 207 V 3.4655 7.8005 119.7557 66.0198 31.3290 178.1594 208 I 3.4910 7.3285 118.1734 64.1425 37.0299 177.9357 209 K 3.9408 7.8851 120.3780 59.6194 31.7905 178.8740 210 L 4.0339 7.8995 117.9960 56.8214 41.4804 178.1181 211 N 4.9043 7.6056 114.7327 52.9076 39.5620 175.1153 212 K 4.1212 7.5407 126.0833 56.6355 32.3107 176.6566 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 K 8.17 4.35 0.00 1.90 1.98 0.00 1.23 0.00 0.00 1.76 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.20 7.81 3 S 8.53 5.19 0.00 3.71 3.76 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 4 Y 9.46 5.22 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.33 5.62 0.00 2.84 2.91 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 6 V 8.81 4.34 2.06 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 0.73 0.00 0.00 0.97 0.00 0.00 7 T 7.63 5.28 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 1.16 0.00 0.00 *9 G 7.98 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 10 F 8.32 5.11 0.00 3.09 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 11 N 7.80 4.85 0.00 2.66 2.70 0.00 0.00 7.12 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 12 E 8.72 4.28 0.00 2.21 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 0.00 2.34 2.34 0.00 13 T 8.54 3.77 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 0.95 0.00 0.00 14 F 7.81 4.39 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.94 3.95 0.00 1.78 1.81 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.85 3.96 0.00 1.91 1.76 0.93 0.83 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 17 R 8.09 3.86 0.00 2.05 2.15 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 18 L 8.11 3.76 0.00 1.83 1.79 0.82 1.10 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 19 L 7.85 3.43 0.00 1.27 0.39 0.60 -0.37 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 20 N 7.96 4.45 0.00 3.03 2.98 0.00 0.00 6.80 7.07 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 21 E 8.35 4.11 0.00 1.86 1.89 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 2.31 2.41 0.00 22 T 7.43 4.48 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 1.23 0.00 0.00 23 S 7.84 3.67 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.80 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 9.47 4.83 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 26 K 8.82 3.91 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 27 E 8.07 4.28 0.00 2.01 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 2.32 2.41 0.00 28 D 7.88 4.75 0.00 2.89 2.89 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 29 S 8.85 4.67 0.00 3.83 3.84 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 0.00 0.00 0.00 30 L 8.61 5.27 0.00 1.80 1.56 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.12 5.06 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 1.26 0.00 0.00 1.03 0.00 0.00 32 I 9.03 5.35 1.93 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 1.35 0.77 1.00 0.00 0.00 33 V 8.76 5.10 2.35 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 0.69 0.00 0.00 1.08 0.00 0.00 34 V 8.81 4.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.04 0.00 0.00 35 P 0.00 4.86 0.00 2.08 2.06 0.00 3.49 0.00 0.00 3.58 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 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 53 I 8.28 3.79 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.09 1.04 0.00 0.00 54 S 8.07 4.11 0.00 4.03 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 55 R 7.64 3.85 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 56 L 7.40 4.10 0.00 0.79 0.50 0.76 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.51 4.12 0.00 2.74 2.88 0.00 0.00 6.91 7.34 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 58 Y 7.65 4.87 0.00 3.07 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 59 P 0.00 4.73 0.00 2.22 2.38 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 60 P 0.00 4.41 0.00 2.21 2.12 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 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1.70 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.42 7.81 114 R 9.30 4.42 0.00 1.70 1.78 0.00 3.09 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 115 F 8.87 5.35 0.00 3.15 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 0.00 116 T 8.92 4.84 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 0.75 0.00 0.00 117 V 8.37 4.71 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 0.83 0.00 0.00 0.67 0.00 0.00 118 Y 8.90 5.20 0.00 2.96 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 0.00 119 V 8.87 4.68 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 1.05 0.00 0.00 1.04 0.00 0.00 120 R 8.54 5.01 0.00 1.33 1.78 0.00 3.07 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 121 D 8.42 4.39 0.00 2.74 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 0.00 122 E 8.79 4.03 0.00 2.00 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 2.26 2.25 0.00 123 G 8.36 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 0.00 0.00 0.00 124 G 8.52 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 0.00 125 G 7.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.40 4.43 0.00 4.02 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 0.00 127 R 7.82 4.30 0.00 1.82 1.92 0.00 3.12 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 128 V 8.31 5.08 2.15 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 0.80 0.00 0.00 1.14 0.00 0.00 129 I 9.00 4.93 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.95 0.00 0.00 130 S 8.52 5.14 0.00 3.17 3.46 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 0.00 131 F 8.14 5.01 0.00 3.11 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 0.00 132 N 9.06 4.75 0.00 2.59 2.68 0.00 0.00 7.15 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 0.00 133 D 7.26 3.83 0.00 2.73 2.44 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 0.00 134 N 7.94 4.30 0.00 2.89 2.91 0.00 0.00 7.16 7.05 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 0.00 135 T 8.19 3.91 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 136 I 7.38 3.81 2.06 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 1.95 1.12 1.02 0.00 0.00 137 R 8.17 4.09 0.00 2.00 2.25 0.00 3.41 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.80 0.00 138 A 8.31 4.31 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 0.00 139 L 7.49 4.18 0.00 1.82 1.71 0.89 0.72 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 *141 R 7.38 3.83 0.00 1.71 1.55 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 142 D 8.17 4.62 0.00 2.58 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 0.00 143 Y 8.35 4.51 0.00 2.91 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 0.00 144 S 8.87 4.46 0.00 3.97 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.70 4.06 0.00 1.79 2.02 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 146 E 8.25 4.13 0.00 2.05 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 0.00 2.41 2.28 0.00 147 E 8.21 3.87 0.00 2.39 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 0.00 2.40 2.33 0.00 *149 K 8.19 4.19 0.00 2.05 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.62 7.81 150 L 7.94 3.94 0.00 1.78 1.88 0.93 0.74 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 0.00 151 L 8.10 3.96 0.00 1.63 1.62 0.55 0.84 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 0.00 152 N 8.09 4.36 0.00 2.83 2.83 0.00 0.00 6.80 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 0.00 153 V 8.17 3.59 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 1.00 0.00 0.00 0.99 0.00 0.00 154 L 8.09 4.06 0.00 1.94 1.74 0.94 0.69 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 0.00 155 Y 7.90 4.09 0.00 2.90 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.48 3.91 0.00 1.94 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 2.40 2.60 0.00 157 T 8.23 4.08 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 1.25 0.00 0.00 158 K 8.08 3.74 0.00 1.88 1.92 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 1.31 7.81 159 G 7.73 4.65 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 0.00 160 T 8.20 4.60 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 1.24 0.00 0.00 161 G 8.59 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 0.00 0.00 0.00 162 I 8.28 3.71 1.88 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 1.64 0.87 0.92 0.00 0.00 163 T 7.96 4.00 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 1.21 0.00 0.00 164 E 8.06 4.07 0.00 1.91 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 2.31 2.46 0.00 165 L 7.96 4.12 0.00 1.82 1.74 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.28 4.25 1.42 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 0.00 167 K 7.51 4.09 0.00 2.04 1.83 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 *169 L 7.80 4.27 0.00 1.67 1.77 0.93 1.07 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 0.00 170 D 7.54 4.42 0.00 2.83 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 0.00 171 K 7.87 4.73 0.00 1.76 1.67 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 172 S 8.33 4.32 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.73 3.95 0.00 2.03 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 0.00 2.41 2.38 0.00 174 K 8.05 3.84 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.51 7.81 175 T 7.86 3.85 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 1.33 0.00 0.00 176 L 7.98 3.95 0.00 1.90 1.80 0.93 1.13 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 0.00 177 I 8.38 3.72 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 1.53 0.53 0.92 0.00 0.00 178 N 8.17 4.34 0.00 2.93 2.88 0.00 0.00 6.68 7.54 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 0.00 179 K 8.09 3.98 0.00 1.91 1.97 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.57 7.81 180 I 8.18 3.70 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.93 0.00 0.00 181 A 8.24 3.99 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 0.00 182 E 8.23 3.89 0.00 2.23 2.28 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 2.62 2.52 0.00 183 L 8.33 4.35 0.00 1.81 1.81 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.45 4.15 0.00 2.06 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.60 7.81 185 K 7.93 3.92 0.00 1.92 1.71 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.41 7.81 186 F 7.92 4.31 0.00 3.34 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 0.00 187 G 8.14 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 0.00 188 I 7.78 4.63 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 1.00 0.00 0.00 189 L 7.79 5.29 0.00 1.80 1.65 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 190 T 9.19 4.82 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 1.23 0.00 0.00 191 Q 8.45 4.97 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 192 K 8.32 4.60 0.00 1.69 1.62 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 193 G 8.69 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 0.00 194 K 8.41 4.05 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 195 D 8.07 4.47 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 R 7.66 4.18 0.00 1.97 2.06 0.00 3.13 0.00 0.00 3.13 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 197 K 7.87 4.33 0.00 1.83 1.93 0.00 1.48 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.44 7.81 198 V 8.93 4.46 2.17 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 0.96 0.00 0.00 0.94 0.00 0.00 199 E 9.06 5.07 0.00 1.91 1.77 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 2.21 2.26 0.00 200 L 8.73 4.60 0.00 1.58 1.63 1.10 0.97 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 0.00 201 N 8.47 5.01 0.00 3.00 2.97 0.00 0.00 7.11 7.72 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 0.00 202 E 8.57 3.98 0.00 2.09 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 0.00 2.41 2.44 0.00 203 L 8.04 4.05 0.00 1.77 1.86 0.94 1.09 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 0.00 204 G 8.75 3.64 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 0.00 0.00 0.00 205 L 8.02 3.97 0.00 1.87 1.68 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 206 N 8.05 4.32 0.00 2.89 2.82 0.00 0.00 6.61 7.51 0.00 0.00 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 V 7.80 3.47 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 0.21 0.00 0.00 0.93 0.00 0.00 208 I 7.33 3.49 1.79 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 1.24 0.67 0.61 0.00 0.00 209 K 7.89 3.94 0.00 1.84 1.89 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 210 L 7.90 4.03 0.00 1.78 1.70 0.94 0.87 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 0.00 211 N 7.61 4.90 0.00 2.68 2.76 0.00 0.00 6.99 7.76 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 0.00 212 K 7.54 4.12 0.00 1.86 1.65 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.